From d71184aad2eded5a73627e8bc9296597319c9e59 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Fri, 15 Feb 2013 10:16:51 +0100 Subject: [PATCH] dynamic disulfides are working again in md --- bin/unres/MD/unres_ifort_MPICH_GAB.exe | Bin 3944737 -> 3944216 bytes .../unres/new/MD/DYN_SS/dyn_ss/checkgrad/small.inp | 21 + .../new/MD/DYN_SS/dyn_ss/checkgrad/small.out_GB000 | 657 + .../new/MD/DYN_SS/dyn_ss/checkgrad/unres_eval.csh | 24 + .../new/MD/DYN_SS/dyn_ss/mchincio/libcxa.so.5 | Bin 0 -> 173319 bytes .../new/MD/DYN_SS/dyn_ss/mchincio/libunwind.so.5 | Bin 0 -> 27566 bytes .../new/MD/DYN_SS/dyn_ss/mchincio/small_s.inp | 21 + .../MD/DYN_SS/dyn_ss/mchincio/small_s.out_GB000 |10217 ++ .../MD/DYN_SS/dyn_ss/mchincio/unres_REMD_intel.exe | Bin 0 -> 2557094 bytes .../new/MD/DYN_SS/dyn_ss/mchincio/unres_eval.csh | 24 + examples/unres/new/MD/DYN_SS/dyn_ss/small.inp | 2 +- .../unres/new/MD/DYN_SS/dyn_ss/small.out_GB000 |24112 +++++ examples/unres/new/MD/DYN_SS/dyn_ss/small_000.rst | 74 + 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literal 0
HcmV?d00001

diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/mchincio/unres_eval.csh b/examples/unres/new/MD/DYN_SS/dyn_ss/mchincio/unres_eval.csh
new file mode 100755
index 0000000..afda526
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss/mchincio/unres_eval.csh
@@ -0,0 +1,24 @@
+#!/bin/csh
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX small_s
+setenv OUT1FILE NO
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN ./unres_REMD_intel.exe 
+#-----------------------------------------------------------------------------
+setenv DD /users/czarek/UNRES/GIT/unres/PARAM
+setenv BONDPAR $DD/bond.parm
+setenv THETPAR $DD/thetaml.5parm
+setenv ROTPAR $DD/scgauss.parm
+setenv TORPAR $DD/torsion_631Gdp.parm
+setenv TORDPAR $DD/torsion_double_631Gdp.parm
+setenv ELEPAR $DD/electr_631Gdp.parm
+setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
+setenv SCPPAR $DD/scp.parm
+setenv PATTERN $DD/patterns.cart
+setenv PRINT_PARM NO
+#-----------------------------------------------------------------------------
+
+$UNRES_BIN $*
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small.inp b/examples/unres/new/MD/DYN_SS/dyn_ss/small.inp
index 03a98e6..819b2d8 100644
--- a/examples/unres/new/MD/DYN_SS/dyn_ss/small.inp
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss/small.inp
@@ -1,7 +1,7 @@
 small
 SEED=-1111333 MD ONE_LETTER
 nstep=20000  dt=0.1 ntwe=1000  ntwx=300   lang=0 tbf tau_bath=1.0 t_bath=400   &
-reset_moment=1000 reset_vel=0 damax=5.0 eq_time=1000 MDPDB 
+reset_moment=1000 reset_vel=0 damax=5.0 eq_time=1000 MDPDB PRINT_COMPON
 WSC=1.00000 WSCP=2.79405 WELEC=0.14581 WANG=1.95684 WSCLOC=0.17010             &
 WTOR=2.04698 WTORD=1.69624 WCORRH=1.84615 WCORR5=0.02730 WCORR6=0.00741        &
 WEL_LOC=1.21837 WTURN3=2.91386 WTURN4=0.73178 WTURN6=0.02391 WBOND=1.0         &
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small.intin b/examples/unres/new/MD/DYN_SS/dyn_ss/small.intin
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small.out_GB000 b/examples/unres/new/MD/DYN_SS/dyn_ss/small.out_GB000
new file mode 100644
index 0000000..537b7ef
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss/small.out_GB000
@@ -0,0 +1,24112 @@
+--------------------------------------------------------------------------------
+                              FILE ASSIGNMENT
+--------------------------------------------------------------------------------
+ Input file                      : small.inp
+ Output file                     : small.out_GB000
+ 
+ Sidechain potential file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-
+ 10-8k
+ SCp potential file              : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm
+ Electrostatic potential file    : 
+ /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm
+ Cumulant coefficient file       : 
+ /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ Torsional parameter file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm
+ Double torsional parameter file : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/czarek/UNRES/GIT/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm
+ Bending parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm
+ Rotamer parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm
+ Threading database              : 
+ /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart
+--------------------------------------------------------------------------------
+********************************************************************************
+United-residue force field calculation - parallel job.
+********************************************************************************
+ ### LAST MODIFIED  03/28/12 23:29 by czarek
+ ++++ Compile info ++++
+ Version 3.1 build 41
+ compiled Fri Feb 15 01:43:03 2013
+ compiled by czarek@piasek3
+ OS name:    Linux 
+ OS release: 2.6.32-42-generic 
+ OS version: #96-Ubuntu SMP Wed Aug 15 19:37:37 UTC 2012 
+ flags:
+ INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
+ FC= ifort
+ OPT =  -O3 -ip -w 
+ FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
+ FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
+ FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
+ FFLAGSE = -c -w -O3 -ipo -ipo_obj  -opt_report ...
+ LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...
+ ARCH = LINUX
+ PP = /lib/cpp -P
+ object = unres.o arcos.o cartprint.o chainbuild...
+ GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ...
+ GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP...
+ E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR...
+ E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort...
+ ++++ End of compile info ++++
+
+Potential is GB , exponents are   6 12
+
+Disulfide bridge parameters:
+S-S bridge energy:      -5.50
+d0cm:      3.78 akcm:     15.10
+akth:     11.00 akct:     12.00
+v1ss:     -1.08 v2ss:      7.61 v3ss:     13.70
+ MPI: node=            0  iseed(4)=            0           0         -16
+      -62756
+ ran_num  6.422640197456531E-013
+RMSDBC =        3.0
+RMSDBC1 =        0.5
+RMSDBC1MAX =        1.5
+DRMS    =        0.1
+RMSDBCM =        3.0
+Time limit (min):     960.0
+ RESCALE_MODE           2
+Library  routine used to diagonalize matrices.
+ 
+=========================== Parameters of the MD run ===========================
+ 
+The units are:
+positions: angstrom, time: 48.9 fs
+velocity: angstrom/(48.9 fs), acceleration: angstrom/(48.9 fs)**2
+energy: kcal/mol, temperature: K
+ 
+                                       Number of time steps:     20000
+                 Initial time step of numerical integration:   0.10000 natural units
+                                                               4.89000 fs
+Maximum acceleration threshold to reduce the time step/increase split number:   5.00000
+Maximum predicted energy drift to reduce the timestep/increase split number:  10.00000
+            Maximum velocity threshold to reduce velocities:  20.00000
+                               Frequency of property output:      1000
+                             Frequency of coordinate output:       300
+Berendsen bath calculation
+                                                Temperature: 400.00000
+                                    Coupling constant (tau):   1.00000
+Momenta will be reset at zero every      1000 steps
+
+============================== End of MD run setup =============================
+
+
+Energy-term weights (unscaled):
+
+WSCC=     1.000000 (SC-SC)
+WSCP=     2.794050 (SC-p)
+WELEC=    0.145810 (p-p electr)
+WVDWPP=   0.145810 (p-p VDW)
+WBOND=    1.000000 (stretching)
+WANG=     1.956840 (bending)
+WSCLOC=   0.170100 (SC local)
+WTOR=     2.046980 (torsional)
+WTORD=    1.696240 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  1.218370 (multi-body 3-rd order)
+WCORR4=   1.846150 (multi-body 4th order)
+WCORR5=   0.027300 (multi-body 5th order)
+WCORR6=   0.007410 (multi-body 6th order)
+WSCCOR=   1.000000 (back-scloc correlation)
+WTURN3=   2.913860 (turns, 3rd order)
+WTURN4=   0.731780 (turns, 4th order)
+WTURN6=   0.023910 (turns, 6th order)
+
+Hydrogen-bonding correlation between contact pairs of peptide groups
+
+Scaling factor of 1,4 SC-p interactions:   0.400
+General scaling factor of SC-p interactions:   1.000
+
+Energy-term weights (scaled):
+
+WSCC=     1.000000 (SC-SC)
+WSCP=     2.794050 (SC-p)
+WELEC=    0.117327 (p-p electr)
+WVDWPP=   0.145810 (p-p VDW)
+WBOND=    1.000000 (stretching)
+WANG=     1.956840 (bending)
+WSCLOC=   0.170100 (SC local)
+WTOR=     1.647115 (torsional)
+WTORD=    1.058472 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  0.760276 (multi-body 3-rd order)
+WCORR4=   0.874494 (multi-body 4th order)
+WCORR5=   0.009729 (multi-body 5th order)
+WCORR6=   0.001982 (multi-body 6th order)
+WSCCOR=   0.804656 (back-scloc correlatkion)
+WTURN3=   1.818280 (turns, 3rd order)
+WTURN4=   0.346633 (turns, 4th order)
+WTURN6=   0.006394 (turns, 6th order)
+ Reference temperature for weights calculation:   300.000000000000     
+ Parameters of the SS-bond potential:
+ D0CM   3.78000000000000       AKCM   15.1000000000000       AKTH
+   11.0000000000000       AKCT   12.0000000000000     
+ V1SS  -1.08000000000000       V2SS   7.61000000000000       V3SS
+   13.7000000000000     
+ EBR  -5.50000000000000       SS_DEPTH  -6.90133843152500     
+  HT   3.59866156847500     
+ ITEL
+           1          10           1
+           2           9           1
+           3           9           1
+           4           9           1
+           5           1           1
+           6           9           1
+           7           9           1
+           8           9           1
+           9           9           1
+          10           9           1
+          11           9           1
+          12           9           1
+          13           9           1
+          14           1           1
+          15           9           1
+          16           9           1
+          17           9           1
+ ns=           2  iss:           5          14
+ nss=           0  ihpb,jhpb: 
+Boundaries in phi angle sampling:
+GLY    1    -180.0     180.0
+ALA    2    -180.0     180.0
+ALA    3    -180.0     180.0
+ALA    4    -180.0     180.0
+CYS    5    -180.0     180.0
+ALA    6    -180.0     180.0
+ALA    7    -180.0     180.0
+ALA    8    -180.0     180.0
+ALA    9    -180.0     180.0
+ALA   10    -180.0     180.0
+ALA   11    -180.0     180.0
+ALA   12    -180.0     180.0
+ALA   13    -180.0     180.0
+CYS   14    -180.0     180.0
+ALA   15    -180.0     180.0
+ALA   16    -180.0     180.0
+ALA   17    -180.0     180.0
+GLY   18    -180.0     180.0
+ NZ_START=           1  NZ_END=          18
+ IZ_SC=           0
+Initial geometry will be read in.
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.800     0.000     0.000     0.743   110.000  -120.000
+ALA   3     3.800    90.000     0.000     0.743   110.000  -120.000
+ALA   4     3.800    90.000   180.000     0.743   110.000  -120.000
+CYS   5     3.800    90.000   180.000     1.237   100.000  -120.000
+ALA   6     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA   7     3.800    90.000   180.000     0.743   100.000  -120.000
+ALA   8     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA   9     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  10     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  11     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  12     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  13     3.800    90.000   180.000     0.743   100.000  -120.000
+CYS  14     3.800    90.000   180.000     1.237   110.000  -120.000
+ALA  15     3.800    90.000   180.000     0.743   100.000  -120.000
+ALA  16     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  17     3.800    90.000   180.000     0.743   110.000  -120.000
+GLY  18     3.800    90.000   180.000     0.000     0.000     0.000
+
+The chain contains  2 disulfide-bridging cysteines.
+   5  14
+ Running with dynamic disulfide-bond formation
+ Processor           0  CG group           0  absolute rank           0  nhpb
+           0  link_start=           1  link_end           0
+
+
+********************************************************************************
+                    Processor   0: end reading molecular data.
+********************************************************************************
+
+
+Mesoscopic molecular dynamics (MD) calculation.
+
+********************************************************************************
+
+ Calling chainbuild
+====================MD calculation start====================
+ Initial velocities randomly generated
+ Initial velocities
+  0   0.39133   0.02679   0.27319      0.00000   0.00000   0.00000
+  1  -0.17409  -0.26585  -0.21721      0.00000   0.00000   0.00000
+  2  -0.17148   0.42025   0.20576     -0.07613   0.16475   0.01193
+  3  -0.01404  -0.36110  -0.46494     -0.31406   0.04480  -0.30309
+  4   0.15172   0.29663   0.29266     -0.07974   0.11323   0.22586
+  5  -0.32168  -0.01456   0.05151     -0.17812  -0.01530  -0.02557
+  6   0.11448   0.13832   0.17223     -0.12900  -0.20376  -0.11786
+  7  -0.18175  -0.37828  -0.09633     -0.17966  -0.19816  -0.31341
+  8  -0.02028   0.22735  -0.36928     -0.04858   0.08355  -0.26764
+  9   0.34459  -0.25203   0.14694      0.01426  -0.12058  -0.21343
+ 10  -0.41200   0.20762  -0.12944     -0.00588  -0.02316   0.01848
+ 11   0.48857  -0.08617   0.25832      0.35227  -0.04402   0.04919
+ 12  -0.32840  -0.19630  -0.27333     -0.07994  -0.13029  -0.14699
+ 13   0.13872   0.24955   0.17068      0.08823   0.11539   0.21615
+ 14   0.18253   0.02951  -0.14956     -0.11740  -0.10145  -0.17371
+ 15  -0.19102  -0.09980   0.23974      0.03607  -0.01130   0.14715
+ 16   0.08092   0.16784  -0.32778      0.01162   0.30480  -0.18318
+ 17  -0.14311  -0.25973   0.34658     -0.44245  -0.17578   0.34891
+ 18   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
+ Calling the zero-angular  momentum subroutine
+ vcm right after adjustment:
+  2.064717366521174E-017 -1.189837126469829E-017  5.249281440308069E-018
+
+
+              alpha-carbon coordinates            centroid coordinates
+             X           Y           Z          X           Y           Z
+GLY(  1)     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+ALA(  2)     3.80000     0.00000     0.00000     3.73284     0.42654     0.60465
+ALA(  3)     3.80000    -3.80000     0.00000     3.37346    -3.73284    -0.60465
+ALA(  4)     7.60000    -3.80000     0.00000     7.53284    -3.37346     0.60465
+CYS(  5)     7.60000    -7.60000     0.00000     7.01741    -7.32119    -1.05500
+ALA(  6)    11.40000    -7.60000     0.00000    11.33284    -7.17346     0.60465
+ALA(  7)    11.40000   -11.40000     0.00000    11.05007   -11.23253    -0.63368
+ALA(  8)    15.20000   -11.40000     0.00000    15.13284   -10.97346     0.60465
+ALA(  9)    15.20000   -15.20000     0.00000    14.77346   -15.13284    -0.60465
+ALA( 10)    19.00000   -15.20000     0.00000    18.93284   -14.77346     0.60465
+ALA( 11)    19.00000   -19.00000     0.00000    18.57346   -18.93284    -0.60465
+ALA( 12)    22.80000   -19.00000     0.00000    22.73284   -18.57346     0.60465
+ALA( 13)    22.80000   -22.80000     0.00000    22.45007   -22.63253    -0.63368
+CYS( 14)    26.60000   -22.80000     0.00000    26.48819   -22.08987     1.00667
+ALA( 15)    26.60000   -26.60000     0.00000    26.25007   -26.43253    -0.63368
+ALA( 16)    30.40000   -26.60000     0.00000    30.33284   -26.17346     0.60465
+ALA( 17)    30.40000   -30.40000     0.00000    29.97346   -30.33284    -0.60465
+GLY( 18)    34.20000   -30.40000     0.00000    34.20000   -30.40000     0.00000
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.800     0.000     0.000     0.743   110.000  -120.000
+ALA   3     3.800    90.000     0.000     0.743   110.000  -120.000
+ALA   4     3.800    90.000   180.000     0.743   110.000  -120.000
+CYS   5     3.800    90.000   180.000     1.237   100.000  -120.000
+ALA   6     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA   7     3.800    90.000   180.000     0.743   100.000  -120.000
+ALA   8     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA   9     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  10     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  11     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  12     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  13     3.800    90.000   180.000     0.743   100.000  -120.000
+CYS  14     3.800    90.000   180.000     1.237   110.000  -120.000
+ALA  15     3.800    90.000   180.000     0.743   100.000  -120.000
+ALA  16     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  17     3.800    90.000   180.000     0.743   110.000  -120.000
+GLY  18     3.800    90.000   180.000     0.000   180.000   180.000
+ dyn_ssbond_ene  -1.212205582757399E-004
+ Potential energy and its components
+
+Virtual-chain energies:
+
+EVDW=     -1.784028E+01 WEIGHT=    1.000000E+00 (SC-SC)
+EVDW2=     2.118779E+01 WEIGHT=    2.794050E+00 (SC-p)
+EES=      -8.122745E+00 WEIGHT=    1.173269E-01 (p-p)
+EVDWPP=   -2.540621E+01 WEIGHT=    1.458100E-01 (p-p VDW)
+ESTR=      4.237046E-27 WEIGHT=    1.000000E+00 (stretching)
+EBE=      -1.185178E+00 WEIGHT=    1.956840E+00 (bending)
+ESC=       1.520408E+02 WEIGHT=    1.701000E-01 (SC local)
+ETORS=     0.000000E+00 WEIGHT=    1.647115E+00 (torsional)
+ETORSD=   -2.194244E+00 WEIGHT=    1.058472E+00 (double torsional)
+EHPB=      0.000000E+00 WEIGHT=    1.000000E+00 (SS bridges & dist. cnstr.)
+ECORR4=   -5.324225E+00 WEIGHT=    8.744941E-01 (multi-body)
+ECORR5=    2.317900E+01 WEIGHT=    9.728750E-03 (multi-body)
+ECORR6=    1.215220E+01 WEIGHT=    1.981519E-03 (multi-body)
+EELLO=     3.759544E+01 WEIGHT=    7.602761E-01 (electrostatic-local)
+ETURN3=   -3.193381E+00 WEIGHT=    1.818280E+00 (turns, 3rd order)
+ETURN4=    1.424793E+01 WEIGHT=    3.466334E-01 (turns, 4th order)
+ETURN6=    0.000000E+00 WEIGHT=    6.393807E-03 (turns, 6th order)
+ESCCOR=    7.779132E+00 WEIGHT=    8.046559E-01 (backbone-rotamer corr)
+EDIHC=     0.000000E+00 (dihedral angle constraints)
+ESS=       0.000000E+00 (disulfide-bridge intrinsic energy)
+UCONST=     0.000000E+00 (Constraint energy)
+ETOT=      8.749073E+01 (total)
+
+Initial:
+           Kinetic energy   3.88148E+01
+         potential energy   8.74907E+01
+             total energy   1.26306E+02
+
+    maximum acceleration    4.30400E+00
+
+ dyn_ssbond_ene  -1.225233984150210E-004
+ dyn_ssbond_ene  -1.235216690847935E-004
+ dyn_ssbond_ene  -1.239486545928095E-004
+ dyn_ssbond_ene  -1.238584996470479E-004
+ dyn_ssbond_ene  -1.235049382355485E-004
+ dyn_ssbond_ene  -1.231647685385536E-004
+ dyn_ssbond_ene  -1.230062098138728E-004
+ dyn_ssbond_ene  -1.229989609355876E-004
+ dyn_ssbond_ene  -1.229346445179793E-004
+ dyn_ssbond_ene  -1.225841428541722E-004
+ dyn_ssbond_ene  -1.218556109689701E-004
+ dyn_ssbond_ene  -1.208085556834762E-004
+ dyn_ssbond_ene  -1.195753331507502E-004
+ dyn_ssbond_ene  -1.182910677035119E-004
+ dyn_ssbond_ene  -1.170703501183243E-004
+ dyn_ssbond_ene  -1.159781939346138E-004
+ dyn_ssbond_ene  -1.149909845299786E-004
+ dyn_ssbond_ene  -1.140050202876231E-004
+ dyn_ssbond_ene  -1.129165586072755E-004
+ dyn_ssbond_ene  -1.117002364424233E-004
+ dyn_ssbond_ene  -1.104114488581961E-004
+ dyn_ssbond_ene  -1.091309777487736E-004
+ dyn_ssbond_ene  -1.079112548168324E-004
+ dyn_ssbond_ene  -1.067758251304834E-004
+ dyn_ssbond_ene  -1.057378087162563E-004
+ dyn_ssbond_ene  -1.048132545435360E-004
+ dyn_ssbond_ene  -1.040214904960590E-004
+ dyn_ssbond_ene  -1.033726584909559E-004
+ dyn_ssbond_ene  -1.028580302378407E-004
+ dyn_ssbond_ene  -1.024500316990491E-004
+ dyn_ssbond_ene  -1.021065226410818E-004
+ dyn_ssbond_ene  -1.017850016815334E-004
+ dyn_ssbond_ene  -1.014313798473377E-004
+ dyn_ssbond_ene  -1.009943649555610E-004
+ dyn_ssbond_ene  -1.004841765352956E-004
+ dyn_ssbond_ene  -9.998766477934215E-005
+ dyn_ssbond_ene  -9.959577657331249E-005
+ dyn_ssbond_ene  -9.935395855652479E-005
+ dyn_ssbond_ene  -9.925279117194036E-005
+ dyn_ssbond_ene  -9.924822620794199E-005
+ dyn_ssbond_ene  -9.927769175426951E-005
+ dyn_ssbond_ene  -9.927135540676885E-005
+ dyn_ssbond_ene  -9.918260020150128E-005
+ dyn_ssbond_ene  -9.902463880553332E-005
+ dyn_ssbond_ene  -9.887185742756106E-005
+ dyn_ssbond_ene  -9.881488800782329E-005
+ dyn_ssbond_ene  -9.890785110866551E-005
+ dyn_ssbond_ene  -9.914471241051610E-005
+ dyn_ssbond_ene  -9.946597434626823E-005
+ dyn_ssbond_ene  -9.979298579725388E-005
+ dyn_ssbond_ene  -1.000605873261375E-004
+ dyn_ssbond_ene  -1.002289358858018E-004
+ dyn_ssbond_ene  -1.002927476910725E-004
+ dyn_ssbond_ene  -1.002772463385661E-004
+ dyn_ssbond_ene  -1.002215913048937E-004
+ dyn_ssbond_ene  -1.001580400496053E-004
+ dyn_ssbond_ene  -1.000983110994047E-004
+ dyn_ssbond_ene  -1.000363546141854E-004
+ dyn_ssbond_ene  -9.996263042611374E-005
+ dyn_ssbond_ene  -9.987224129023025E-005
+ dyn_ssbond_ene  -9.976211934192423E-005
+ dyn_ssbond_ene  -9.961438924337146E-005
+ dyn_ssbond_ene  -9.939896994668520E-005
+ dyn_ssbond_ene  -9.910315843837271E-005
+ dyn_ssbond_ene  -9.875177841979965E-005
+ dyn_ssbond_ene  -9.840240277248866E-005
+ dyn_ssbond_ene  -9.812806188953262E-005
+ dyn_ssbond_ene  -9.799278908183256E-005
+ dyn_ssbond_ene  -9.801747874462502E-005
+ dyn_ssbond_ene  -9.816490065600228E-005
+ dyn_ssbond_ene  -9.835195194231482E-005
+ dyn_ssbond_ene  -9.848381426888966E-005
+ dyn_ssbond_ene  -9.849617524239850E-005
+ dyn_ssbond_ene  -9.837795220710463E-005
+ dyn_ssbond_ene  -9.816140973451940E-005
+ dyn_ssbond_ene  -9.789319240940393E-005
+ dyn_ssbond_ene  -9.760732575130924E-005
+ dyn_ssbond_ene  -9.731535090644836E-005
+ dyn_ssbond_ene  -9.701283331245719E-005
+ dyn_ssbond_ene  -9.669283908489333E-005
+ dyn_ssbond_ene  -9.635553135228092E-005
+ dyn_ssbond_ene  -9.600750995488889E-005
+ dyn_ssbond_ene  -9.565850510495793E-005
+ dyn_ssbond_ene  -9.531774213146081E-005
+ dyn_ssbond_ene  -9.498812068210155E-005
+ dyn_ssbond_ene  -9.466157674614198E-005
+ dyn_ssbond_ene  -9.432100600459947E-005
+ dyn_ssbond_ene  -9.394885651608976E-005
+ dyn_ssbond_ene  -9.353785679369713E-005
+ dyn_ssbond_ene  -9.309025508181692E-005
+ dyn_ssbond_ene  -9.353113843042627E-005
+ dyn_ssbond_ene  -9.308394816492838E-005
+ dyn_ssbond_ene  -9.352442629835200E-005
+ dyn_ssbond_ene  -9.307755430545810E-005
+ dyn_ssbond_ene  -9.351771892551675E-005
+ dyn_ssbond_ene  -9.307108126716058E-005
+ dyn_ssbond_ene  -9.351101498548866E-005
+ dyn_ssbond_ene  -9.306453611527566E-005
+ dyn_ssbond_ene  -9.350431328408699E-005
+ dyn_ssbond_ene  -9.305792527430483E-005
+ dyn_ssbond_ene  -9.349761274722128E-005
+ dyn_ssbond_ene  -9.305125458212808E-005
+ dyn_ssbond_ene  -9.349091240977738E-005
+ dyn_ssbond_ene  -9.304452934025228E-005
+ dyn_ssbond_ene  -9.348421140546223E-005
+ dyn_ssbond_ene  -9.303775436039344E-005
+ dyn_ssbond_ene  -9.347750895754473E-005
+ dyn_ssbond_ene  -9.303093400761549E-005
+ dyn_ssbond_ene  -9.347080437041695E-005
+ dyn_ssbond_ene  -9.302407224005261E-005
+ dyn_ssbond_ene  -9.346409702191539E-005
+ dyn_ssbond_ene  -9.301717264548242E-005
+ dyn_ssbond_ene  -9.345738635633444E-005
+ dyn_ssbond_ene  -9.301023847486262E-005
+ dyn_ssbond_ene  -9.345067187808121E-005
+ dyn_ssbond_ene  -9.300327267312803E-005
+ dyn_ssbond_ene  -9.344395314591053E-005
+ dyn_ssbond_ene  -9.299627790730556E-005
+ dyn_ssbond_ene  -9.343722976769420E-005
+ dyn_ssbond_ene  -9.298925659224290E-005
+ dyn_ssbond_ene  -9.343050139567810E-005
+ dyn_ssbond_ene  -9.298221091397052E-005
+ dyn_ssbond_ene  -9.342376772217917E-005
+ dyn_ssbond_ene  -9.297514285134655E-005
+ dyn_ssbond_ene  -9.341702847569117E-005
+ dyn_ssbond_ene  -9.296805419497154E-005
+ dyn_ssbond_ene  -9.341028341735278E-005
+ dyn_ssbond_ene  -9.296094656549431E-005
+ dyn_ssbond_ene  -9.340353233775144E-005
+ dyn_ssbond_ene  -9.295382122546399E-005
+ dyn_ssbond_ene  -9.339677505380065E-005
+ dyn_ssbond_ene  -9.294667488588103E-005
+ dyn_ssbond_ene  -9.339001140067946E-005
+ dyn_ssbond_ene  -9.293950634777195E-005
+ dyn_ssbond_ene  -9.338324122153176E-005
+ dyn_ssbond_ene  -9.293231569436564E-005
+ dyn_ssbond_ene  -9.337646435817579E-005
+ dyn_ssbond_ene  -9.292510258784667E-005
+ dyn_ssbond_ene  -9.336968064343993E-005
+ dyn_ssbond_ene  -9.291786639506796E-005
+ dyn_ssbond_ene  -9.336288989531749E-005
+ dyn_ssbond_ene  -9.291060632117879E-005
+ dyn_ssbond_ene  -9.334928510954702E-005
+ dyn_ssbond_ene  -9.289593095652366E-005
+ dyn_ssbond_ene  -9.241239155382992E-005
+ dyn_ssbond_ene  -9.190014022945619E-005
+ dyn_ssbond_ene  -9.135230223222428E-005
+ dyn_ssbond_ene  -9.075759112159208E-005
+ dyn_ssbond_ene  -9.010810696155605E-005
+ dyn_ssbond_ene  -8.940756353489599E-005
+ dyn_ssbond_ene  -8.867482655700990E-005
+ dyn_ssbond_ene  -8.794003429997223E-005
+ dyn_ssbond_ene  -8.723465061791988E-005
+ dyn_ssbond_ene  -8.658106443618149E-005
+ dyn_ssbond_ene  -8.598831624746240E-005
+ dyn_ssbond_ene  -8.545151615512401E-005
+ dyn_ssbond_ene  -8.495110647464652E-005
+ dyn_ssbond_ene  -8.445513574554526E-005
+ dyn_ssbond_ene  -8.392985569899281E-005
+ dyn_ssbond_ene  -8.335567892871954E-005
+ dyn_ssbond_ene  -8.273827562447973E-005
+ dyn_ssbond_ene  -8.210499995774183E-005
+ dyn_ssbond_ene  -8.148947817435739E-005
+ dyn_ssbond_ene  -8.091661809724515E-005
+ dyn_ssbond_ene  -8.039416912028175E-005
+ dyn_ssbond_ene  -7.990945709056907E-005
+ dyn_ssbond_ene  -7.943364029797282E-005
+ dyn_ssbond_ene  -7.893612484823668E-005
+ dyn_ssbond_ene  -7.840179065761090E-005
+ dyn_ssbond_ene  -7.783795094590270E-005
+ dyn_ssbond_ene  -7.726723653997507E-005
+ dyn_ssbond_ene  -7.671557266477709E-005
+ dyn_ssbond_ene  -7.620195199975042E-005
+ dyn_ssbond_ene  -7.572868162911064E-005
+ dyn_ssbond_ene  -7.527613204423342E-005
+ dyn_ssbond_ene  -7.481101148260897E-005
+ dyn_ssbond_ene  -7.430573227893940E-005
+ dyn_ssbond_ene  -7.375378228169686E-005
+ dyn_ssbond_ene  -7.316993636317244E-005
+ dyn_ssbond_ene  -7.257861324419171E-005
+ dyn_ssbond_ene  -7.200073343862711E-005
+ dyn_ssbond_ene  -7.144608489826596E-005
+ dyn_ssbond_ene  -7.091258497019602E-005
+ dyn_ssbond_ene  -7.039196410472120E-005
+ dyn_ssbond_ene  -6.987755766849168E-005
+ dyn_ssbond_ene  -6.936477079975555E-005
+ dyn_ssbond_ene  -6.884877999836100E-005
+ dyn_ssbond_ene  -6.832236171083835E-005
+ dyn_ssbond_ene  -6.777680516383362E-005
+ dyn_ssbond_ene  -6.720722686868655E-005
+ dyn_ssbond_ene  -6.661853889729779E-005
+ dyn_ssbond_ene  -6.602533652147469E-005
+ dyn_ssbond_ene  -6.544421031414811E-005
+ dyn_ssbond_ene  -6.488380698784679E-005
+ dyn_ssbond_ene  -6.433903819267664E-005
+ dyn_ssbond_ene  -6.379258842292271E-005
+ dyn_ssbond_ene  -6.322370894953966E-005
+ dyn_ssbond_ene  -6.262072481546289E-005
+ dyn_ssbond_ene  -6.198882998230664E-005
+ dyn_ssbond_ene  -6.134622216552205E-005
+ dyn_ssbond_ene  -6.071169863322158E-005
+ dyn_ssbond_ene  -6.009458474111695E-005
+ dyn_ssbond_ene  -5.949270614188270E-005
+ dyn_ssbond_ene  -5.889664603849100E-005
+ dyn_ssbond_ene  -5.829736021497658E-005
+ dyn_ssbond_ene  -5.769322053674276E-005
+ dyn_ssbond_ene  -5.709067458551068E-005
+ dyn_ssbond_ene  -5.649814576550743E-005
+ dyn_ssbond_ene  -5.591937886098715E-005
+ dyn_ssbond_ene  -5.535079711096474E-005
+ dyn_ssbond_ene  -5.478239973539588E-005
+ dyn_ssbond_ene  -5.420284340075935E-005
+ dyn_ssbond_ene  -5.360827073674203E-005
+ dyn_ssbond_ene  -5.300661831656645E-005
+ dyn_ssbond_ene  -5.241181683336427E-005
+ dyn_ssbond_ene  -5.183638840888039E-005
+ dyn_ssbond_ene  -5.128914163870570E-005
+ dyn_ssbond_ene  -5.077157434885774E-005
+ dyn_ssbond_ene  -5.027459360249491E-005
+ dyn_ssbond_ene  -4.978580723242503E-005
+ dyn_ssbond_ene  -4.929970823610979E-005
+ dyn_ssbond_ene  -4.881626163657280E-005
+ dyn_ssbond_ene  -4.833533283855638E-005
+ dyn_ssbond_ene  -4.785853838870423E-005
+ dyn_ssbond_ene  -4.739054009449350E-005
+ dyn_ssbond_ene  -4.693390804702834E-005
+ dyn_ssbond_ene  -4.649030358889888E-005
+ dyn_ssbond_ene  -4.606913211340589E-005
+ dyn_ssbond_ene  -4.568476016675056E-005
+ dyn_ssbond_ene  -4.534042039495674E-005
+ dyn_ssbond_ene  -4.501913472837233E-005
+ dyn_ssbond_ene  -4.468695060802227E-005
+ dyn_ssbond_ene  -4.430254767920476E-005
+ dyn_ssbond_ene  -4.383828730448402E-005
+ dyn_ssbond_ene  -4.330350758728430E-005
+ dyn_ssbond_ene  -4.274019690467612E-005
+ dyn_ssbond_ene  -4.219240118252819E-005
+ dyn_ssbond_ene  -4.168641711240008E-005
+ dyn_ssbond_ene  -4.123299916780280E-005
+ dyn_ssbond_ene  -4.083167751801648E-005
+ dyn_ssbond_ene  -4.120640478843052E-005
+ dyn_ssbond_ene  -4.080885168934626E-005
+ dyn_ssbond_ene  -4.119320686002782E-005
+ dyn_ssbond_ene  -4.079785627492833E-005
+ dyn_ssbond_ene  -4.118008136900927E-005
+ dyn_ssbond_ene  -4.078686945367502E-005
+ dyn_ssbond_ene  -4.116702648074102E-005
+ dyn_ssbond_ene  -4.077589404943500E-005
+ dyn_ssbond_ene  -4.115404050777961E-005
+ dyn_ssbond_ene  -4.076493251524049E-005
+ dyn_ssbond_ene  -4.114112189384994E-005
+ dyn_ssbond_ene  -4.075398696673351E-005
+ dyn_ssbond_ene  -4.112826919939519E-005
+ dyn_ssbond_ene  -4.074305921267465E-005
+ dyn_ssbond_ene  -4.111548108855672E-005
+ dyn_ssbond_ene  -4.073215078274484E-005
+ dyn_ssbond_ene  -4.110275631745327E-005
+ dyn_ssbond_ene  -4.072126295276338E-005
+ dyn_ssbond_ene  -4.109009372363744E-005
+ dyn_ssbond_ene  -4.071039676759683E-005
+ dyn_ssbond_ene  -4.107749221661747E-005
+ dyn_ssbond_ene  -4.069955306187667E-005
+ dyn_ssbond_ene  -4.106495076934370E-005
+ dyn_ssbond_ene  -4.068876406741549E-005
+ dyn_ssbond_ene  -4.105246846884053E-005
+ dyn_ssbond_ene  -4.067852657312564E-005
+ dyn_ssbond_ene  -4.104004541707665E-005
+ dyn_ssbond_ene  -4.066891517070095E-005
+ dyn_ssbond_ene  -4.101536937318306E-005
+ dyn_ssbond_ene  -4.065075971567862E-005
+ dyn_ssbond_ene  -4.030581887930986E-005
+ dyn_ssbond_ene  -3.994877799335419E-005
+ dyn_ssbond_ene  -3.956663013017495E-005
+ dyn_ssbond_ene  -3.916064060160620E-005
+ dyn_ssbond_ene  -3.873663380479814E-005
+ dyn_ssbond_ene  -3.830447214038114E-005
+ dyn_ssbond_ene  -3.787924545800925E-005
+ dyn_ssbond_ene  -3.747693417253154E-005
+ dyn_ssbond_ene  -3.710844157070346E-005
+ dyn_ssbond_ene  -3.677566299143957E-005
+ dyn_ssbond_ene  -3.646888845594640E-005
+ dyn_ssbond_ene  -3.616736550048151E-005
+ dyn_ssbond_ene  -3.584636751076019E-005
+ dyn_ssbond_ene  -3.548809286306633E-005
+ dyn_ssbond_ene  -3.508965496387463E-005
+ dyn_ssbond_ene  -3.466397982894586E-005
+ dyn_ssbond_ene  -3.423301947778654E-005
+ dyn_ssbond_ene  -3.381750724475486E-005
+ dyn_ssbond_ene  -3.342908175997986E-005
+ dyn_ssbond_ene  -3.306800175447701E-005
+ dyn_ssbond_ene  -3.272617958521422E-005
+ dyn_ssbond_ene  -3.239280660453034E-005
+ dyn_ssbond_ene  -3.205886330715151E-005
+ dyn_ssbond_ene  -3.171932074921205E-005
+ dyn_ssbond_ene  -3.137420417443230E-005
+ dyn_ssbond_ene  -3.102797853293669E-005
+ dyn_ssbond_ene  -3.068565738777267E-005
+ dyn_ssbond_ene  -3.034774750762317E-005
+ dyn_ssbond_ene  -3.000936489669019E-005
+ dyn_ssbond_ene  -2.966484096036979E-005
+ dyn_ssbond_ene  -2.931314579372887E-005
+ dyn_ssbond_ene  -2.896009423459181E-005
+ dyn_ssbond_ene  -2.861675273226140E-005
+ dyn_ssbond_ene  -2.829535091941044E-005
+ dyn_ssbond_ene  -2.800515710247355E-005
+ dyn_ssbond_ene  -2.774987689448296E-005
+ dyn_ssbond_ene  -2.752581390866471E-005
+ dyn_ssbond_ene  -2.732132733757401E-005
+ dyn_ssbond_ene  -2.712000296406508E-005
+ dyn_ssbond_ene  -2.690754459481257E-005
+ dyn_ssbond_ene  -2.667832236992928E-005
+ dyn_ssbond_ene  -2.643819588838781E-005
+ dyn_ssbond_ene  -2.620287986492899E-005
+ dyn_ssbond_ene  -2.599040581459688E-005
+ dyn_ssbond_ene  -2.581018734247751E-005
+ dyn_ssbond_ene  -2.565595401328227E-005
+ dyn_ssbond_ene  -2.550771718590933E-005
+ dyn_ssbond_ene  -2.534354568974724E-005
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+ dyn_ssbond_ene  -2.066155296844879E-005
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+ dyn_ssbond_ene  -2.091036096286563E-005
+ dyn_ssbond_ene  -2.103458106039649E-005
+ dyn_ssbond_ene  -2.118225742656730E-005
+ dyn_ssbond_ene  -2.135463943006914E-005
+ dyn_ssbond_ene  -2.153760189221965E-005
+ dyn_ssbond_ene  -2.171647208181834E-005
+ dyn_ssbond_ene  -2.188989001556762E-005
+ dyn_ssbond_ene  -2.206693821157215E-005
+ dyn_ssbond_ene  -2.225529637136821E-005
+ dyn_ssbond_ene  -2.207833575674318E-005
+ dyn_ssbond_ene  -2.226702423660544E-005
+ dyn_ssbond_ene  -2.208974795803763E-005
+ dyn_ssbond_ene  -2.228009616240416E-005
+ dyn_ssbond_ene  -2.211267999665741E-005
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+ dyn_ssbond_ene  -2.252802112191192E-005
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+ dyn_ssbond_ene  -2.277826273188678E-005
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+ dyn_ssbond_ene  -2.279589974094881E-005
+ dyn_ssbond_ene  -2.297367501260713E-005
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+ dyn_ssbond_ene  -2.300097627682450E-005
+ dyn_ssbond_ene  -2.283580468624406E-005
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+ dyn_ssbond_ene  -2.302715300668207E-005
+ dyn_ssbond_ene  -2.286595910319323E-005
+ dyn_ssbond_ene  -2.302912225619633E-005
+ dyn_ssbond_ene  -2.286863976698663E-005
+ dyn_ssbond_ene  -2.303110196400403E-005
+ dyn_ssbond_ene  -2.287130940992575E-005
+ dyn_ssbond_ene  -2.303309029072981E-005
+ dyn_ssbond_ene  -2.287396831197471E-005
+ dyn_ssbond_ene  -2.303508987703634E-005
+ dyn_ssbond_ene  -2.287661672700935E-005
+ dyn_ssbond_ene  -2.303710573369579E-005
+ dyn_ssbond_ene  -2.288188899876055E-005
+ dyn_ssbond_ene  -2.304154756116555E-005
+ dyn_ssbond_ene  -2.289235993836151E-005
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+ dyn_ssbond_ene  -2.400764141918023E-005
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+ dyn_ssbond_ene  -2.791191675836562E-005
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+ dyn_ssbond_ene  -2.788292071131533E-005
+ dyn_ssbond_ene  -2.791001340497386E-005
+ dyn_ssbond_ene  -2.788280483275486E-005
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+ dyn_ssbond_ene  -2.790830858199924E-005
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+ dyn_ssbond_ene  -2.789916378871445E-005
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+ dyn_ssbond_ene  -2.789795962826812E-005
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+ dyn_ssbond_ene  -2.791657077644291E-005
+ dyn_ssbond_ene  -2.797868881036123E-005
+ dyn_ssbond_ene  -2.803180742525830E-005
+ dyn_ssbond_ene  -2.803651618222482E-005
+ dyn_ssbond_ene  -2.797760527217707E-005
+ dyn_ssbond_ene  -2.787783176641813E-005
+ dyn_ssbond_ene  -2.778045454406835E-005
+ dyn_ssbond_ene  -2.771671877165466E-005
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+ dyn_ssbond_ene  -2.767222096258478E-005
+ dyn_ssbond_ene  -2.765169648544699E-005
+ dyn_ssbond_ene  -2.761725582970220E-005
+ dyn_ssbond_ene  -2.756647166728584E-005
+ dyn_ssbond_ene  -2.749064868204018E-005
+ dyn_ssbond_ene  -2.737225988300577E-005
+ dyn_ssbond_ene  -2.719965659801594E-005
+ dyn_ssbond_ene  -2.698629620546172E-005
+ dyn_ssbond_ene  -2.677291977997626E-005
+ dyn_ssbond_ene  -2.660598966314399E-005
+ dyn_ssbond_ene  -2.650977585824063E-005
+ dyn_ssbond_ene  -2.647451930108993E-005
+ dyn_ssbond_ene  -2.646261908687320E-005
+ dyn_ssbond_ene  -2.642861627427156E-005
+Momenta zeroed out, time             1642.45
+ dyn_ssbond_ene  -2.634787704243029E-005
+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    8.36719E+00
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    8.94141E+00
+
+
+============================  End of MD calculation  ===========================
+CG processor   0 is finishing work.
+ Total wall clock time   8.97656250000000       sec
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_000.rst b/examples/unres/new/MD/DYN_SS/dyn_ss/small_000.rst
new file mode 100644
index 0000000..b3b11b7
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss/small_000.rst
@@ -0,0 +1,74 @@
+   1642.54531249964        36.5239255414169        9.10605174568126     
+   45.6299772870981        400.000000000000     
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diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_GB000.int b/examples/unres/new/MD/DYN_SS/dyn_ss/small_GB000.int
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_GB000.mol2 b/examples/unres/new/MD/DYN_SS/dyn_ss/small_GB000.mol2
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_GB000.pdb b/examples/unres/new/MD/DYN_SS/dyn_ss/small_GB000.pdb
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_GB000.stat b/examples/unres/new/MD/DYN_SS/dyn_ss/small_GB000.stat
new file mode 100644
index 0000000..40e180f
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss/small_GB000.stat
@@ -0,0 +1,22 @@
+                                                                                                                 #   EVDW SC-SC  EVDW2 SC-p  EES p-p     EBE bend    ESC SCloc   ETORS       ETORSD      ECORR4      ECORR5      ECORR6      EELLO       ETURN3      ETURN4      ETURN6      UCONST      EVDW2_14    EHPB        ESTR        EVDWPP      ESCCOR    
+         0           0.00      38.815      87.491     126.306       4.304     383.220     400.000      14.005    0      -17.840      21.188      -8.123      -1.185     152.041       0.000      -2.194      -5.324      23.179      12.152      37.595      -3.193      14.248       0.000       0.000       0.000       0.000       0.000     -25.406       7.779
+      1000          78.84      40.273       4.101      44.374       0.090     397.621     400.000      14.440    0      -23.668       9.464      -9.208     -15.572      68.257      10.979       1.394      -4.718       8.453       7.538       3.468       5.361       3.783       0.012       0.000       0.000       0.000       8.996     -14.472     -18.446
+      2000         165.52      45.046       6.679      51.726       2.135     444.742     400.000      14.223    0      -24.630       9.600      -7.896     -20.517      75.422      11.321       0.395      -3.992      10.936     -16.664       5.732       4.658       4.621       0.000       0.000       0.000       0.000      11.745     -14.262      -8.710
+      3000         241.24      40.054      11.283      51.338       1.305     395.458     400.000      14.386    0      -24.644       7.922      -5.145     -16.061      92.510       9.268       0.712      -2.479       8.324       5.859       5.341       5.752       5.019       0.000       0.000       0.000       0.000      11.001     -11.807     -11.674
+      4000         327.50      43.222      -4.842      38.381       0.744     426.735     400.000      13.991    0      -23.994       7.814      -4.838     -19.186      65.908      11.872       2.641      -2.876       2.220       8.394       0.754       5.507       4.962       0.000       0.000       0.000       0.000       8.393     -12.131     -18.125
+      5000         415.71      41.122       5.569      46.691       1.359     405.998     400.000      15.568    0      -22.359       5.634      -2.615     -18.630      80.463      10.792       1.693      -1.665       1.192       3.646       0.305       5.607       3.540       0.000       0.000       0.000       0.000      19.659      -8.430     -16.097
+      6000         493.13      40.544      -1.322      39.222       0.001     400.289     400.000      16.187    0      -23.425       5.479      -2.526     -18.434      84.423      10.826       0.875      -1.596       1.154       1.333       1.578       5.576       3.503       0.000       0.000       0.000       0.000      12.842      -8.290     -15.857
+      7000         570.63      40.282      -1.793      38.489       1.641     397.701     400.000      16.923    0      -22.451       5.238      -2.271     -19.367      55.579      10.070       2.433      -1.492       0.488       0.996       3.376       5.205       3.718       0.000       0.000       0.000       0.000      19.463      -7.857     -18.353
+      8000         657.39      39.709      -3.771      35.938       1.783     392.048     400.000      16.630    0      -24.071       6.129      -2.830     -18.116      51.023      11.345       1.683      -1.751       2.029       1.376       2.322       5.663       3.751       0.000       0.000       0.000       0.000      13.057      -9.158     -17.108
+      9000         739.66      43.609       2.223      45.832       2.214     430.552     400.000      16.632    0      -23.371       5.713      -2.743     -17.548      83.680      10.645       1.776      -1.753       1.938       3.693       1.498       5.723       3.582       0.000       0.000       0.000       0.000      12.678      -8.770     -14.957
+     10000         822.88      41.325       3.326      44.651       1.084     408.006     400.000      17.491    0      -23.903       5.016      -2.100     -15.608      62.999      11.033       1.822      -1.310       0.364       1.098       1.842       5.215       3.242       0.000       0.000       0.000       0.000      16.851      -7.257     -16.744
+     11000         908.18      39.236       1.677      40.913       2.674     387.383     400.000      16.485    0      -23.028       5.657      -2.837     -17.843      83.389      11.235       3.740      -1.817       0.155       4.120      -0.932       5.806       3.455       0.000       0.000       0.000       0.000      11.222      -8.661     -14.821
+     12000         989.36      40.281       4.856      45.138       2.111     397.700     400.000      17.085    0      -21.989       5.424      -2.347     -18.602      82.043       9.227       0.618      -1.408       1.029       0.655       6.530       5.261       3.979       0.000       0.000       0.000       0.000      18.549      -8.020     -16.793
+     13000        1059.74      40.685      -3.801      36.884       3.413     401.681     400.000      16.886    0      -24.611       5.466      -2.253     -18.339      82.639       9.981       1.656      -1.476       0.496       0.689       3.744       5.080       3.961       0.000       0.000       0.000       0.000      13.122      -7.996     -18.254
+     14000        1147.57      42.757     -10.112      32.644       0.853     422.139     400.000      17.275    0      -24.162       5.246      -2.249     -18.993      55.468      10.883       2.142      -1.458       0.580       1.434       2.085       5.228       3.582       0.000       0.000       0.000       0.000      11.538      -7.748     -17.749
+     15000        1226.41      40.454      -2.946      37.507       0.000     399.402     400.000      16.869    0      -23.428       5.836      -2.954     -18.714      50.866      12.659       3.887      -1.853       1.109       3.271      -1.617       5.862       3.541       0.000       0.000       0.000       0.000      15.648      -8.993     -19.719
+     16000        1311.14      40.537      -1.311      39.226       0.000     400.227     400.000      16.712    0      -24.374       5.994      -2.445     -17.948      65.535       9.801       2.203      -1.631       1.039       3.155       4.481       5.216       3.679       0.000       0.000       0.000       0.000      15.226      -8.562     -18.186
+     17000        1399.76      37.704      27.323      65.027       1.015     372.250     400.000      16.750    0      -20.732       6.737      -2.464     -17.561     127.450       9.387       1.364      -1.627       3.404      -0.559       8.577       4.291       4.591       0.000       0.000       0.000       0.000      20.435      -9.190     -10.337
+     18000        1479.75      41.550      -1.347      40.203       2.155     410.224     400.000      17.032    0      -23.209       5.219      -2.347     -18.904      94.114       9.951       2.340      -1.504       0.337       1.186       2.332       5.351       3.477       0.000       0.000       0.000       0.000      13.266      -7.838     -17.213
+     19000        1556.80      39.982      -3.366      36.615       1.045     394.742     400.000      16.887    0      -24.264       5.812      -2.557     -17.694      51.678      11.511       2.361      -1.628       0.627       2.025       2.078       5.468       3.880       0.000       0.000       0.000       0.000      12.261      -8.539     -16.324
+     20000        1642.55      36.524       9.106      45.630       2.054     360.602     400.000      17.241    0      -23.713       5.366      -2.139     -17.821      85.448      10.792       1.796      -1.413       0.754       0.864       4.162       4.776       4.005       0.000       0.000       0.000       0.000      20.008      -7.868     -15.073
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_MD000.pdb b/examples/unres/new/MD/DYN_SS/dyn_ss/small_MD000.pdb
new file mode 100644
index 0000000..5599904
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss/small_MD000.pdb
@@ -0,0 +1,3564 @@
+REMARK time   25.90                                       ENERGY     4.44281E+00
+ATOM      1  CA  GLY     1       3.845   3.423   2.183          0.009
+ATOM      2  CA  ALA     2       1.200   0.715   1.940          0.014
+ATOM      3  CB  ALA     2       0.474   0.769   1.671          0.009
+ATOM      4  CA  ALA     3       1.995   0.040  -1.727          0.018
+ATOM      5  CB  ALA     3       1.863   0.781  -1.942          0.077
+ATOM      6  CA  ALA     4       5.418  -1.310  -0.739          0.016
+ATOM      7  CB  ALA     4       5.768  -0.694  -0.429          0.042
+ATOM      8  CA  CYS     5       5.147  -5.041  -0.348          0.044
+ATOM      9  CB  CYS     5       5.186  -5.742  -1.375          0.026
+ATOM     10  CA  ALA     6       7.932  -6.927   1.485          0.044
+ATOM     11  CB  ALA     6       7.965  -6.669   2.164          0.006
+ATOM     12  CA  ALA     7       9.380 -10.230   0.263          0.024
+ATOM     13  CB  ALA     7       8.976 -10.468  -0.342          0.024
+ATOM     14  CA  ALA     8      12.929 -11.260   1.194          0.019
+ATOM     15  CB  ALA     8      12.719 -11.073   1.892          0.117
+ATOM     16  CA  ALA     9      15.537 -12.938  -0.975          0.035
+ATOM     17  CB  ALA     9      16.044 -12.421  -1.068          0.201
+ATOM     18  CA  ALA    10      16.957 -16.376  -1.800          0.003
+ATOM     19  CB  ALA    10      16.861 -16.352  -2.561          0.585
+ATOM     20  CA  ALA    11      19.464 -18.822  -0.264          0.067
+ATOM     21  CB  ALA    11      18.785 -19.139  -0.394          0.047
+ATOM     22  CA  ALA    12      22.007 -21.483  -1.391          0.045
+ATOM     23  CB  ALA    12      22.544 -21.659  -1.806          0.049
+ATOM     24  CA  ALA    13      24.259 -24.089   0.205          0.037
+ATOM     25  CB  ALA    13      23.703 -24.527  -0.027          0.041
+ATOM     26  CA  CYS    14      27.861 -25.335  -0.094          0.007
+ATOM     27  CB  CYS    14      28.511 -25.131  -1.109          0.039
+ATOM     28  CA  ALA    15      30.453 -27.856   1.203          0.006
+ATOM     29  CB  ALA    15      29.957 -28.389   1.335          0.026
+ATOM     30  CA  ALA    16      34.055 -28.335   0.034          0.001
+ATOM     31  CB  ALA    16      34.598 -27.781   0.078          0.056
+ATOM     32  CA  ALA    17      35.535 -31.350   1.755          0.049
+ATOM     33  CB  ALA    17      35.379 -31.341   2.486          0.032
+ATOM     34  CA  GLY    18      34.666 -34.614   0.062          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   49.86                                       ENERGY    -9.22938E-01
+ATOM      1  CA  GLY     1       1.546   3.790   3.086          0.021
+ATOM      2  CA  ALA     2       2.235   0.041   3.052          0.061
+ATOM      3  CB  ALA     2       1.827  -0.493   3.254          0.002
+ATOM      4  CA  ALA     3       1.932  -0.054  -0.661          0.002
+ATOM      5  CB  ALA     3       1.599   0.412  -1.096          0.025
+ATOM      6  CA  ALA     4       5.617  -0.897  -0.973          0.012
+ATOM      7  CB  ALA     4       5.988  -0.289  -0.893          0.109
+ATOM      8  CA  CYS     5       7.031  -4.420  -1.257          0.021
+ATOM      9  CB  CYS     5       6.627  -4.848  -2.393          0.118
+ATOM     10  CA  ALA     6       8.814  -7.355   0.365          0.013
+ATOM     11  CB  ALA     6       8.751  -7.375   1.090          0.118
+ATOM     12  CA  ALA     7      10.039 -10.615  -1.203          0.024
+ATOM     13  CB  ALA     7      10.663 -10.774  -1.510          0.138
+ATOM     14  CA  ALA     8      10.429 -14.179   0.012          0.002
+ATOM     15  CB  ALA     8       9.819 -14.557  -0.097          0.010
+ATOM     16  CA  ALA     9      13.893 -15.573  -0.382          0.014
+ATOM     17  CB  ALA     9      13.843 -16.191  -0.804          0.077
+ATOM     18  CA  ALA    10      17.600 -15.033   0.354          0.038
+ATOM     19  CB  ALA    10      17.782 -14.752   1.060          0.036
+ATOM     20  CA  ALA    11      20.623 -17.073  -0.615          0.027
+ATOM     21  CB  ALA    11      21.169 -16.984  -1.155          0.027
+ATOM     22  CA  ALA    12      22.811 -19.877   0.796          0.010
+ATOM     23  CB  ALA    12      22.339 -20.258   1.210          0.319
+ATOM     24  CA  ALA    13      25.656 -21.691  -0.966          0.016
+ATOM     25  CB  ALA    13      26.015 -21.053  -1.121          0.034
+ATOM     26  CA  CYS    14      27.016 -25.273  -0.483          0.013
+ATOM     27  CB  CYS    14      26.335 -26.112  -1.014          0.114
+ATOM     28  CA  ALA    15      30.350 -27.092  -0.462          0.041
+ATOM     29  CB  ALA    15      30.576 -26.667   0.086          0.049
+ATOM     30  CA  ALA    16      32.038 -30.471  -0.686          0.033
+ATOM     31  CB  ALA    16      31.840 -30.250  -1.374          0.032
+ATOM     32  CA  ALA    17      34.103 -32.288   1.968          0.022
+ATOM     33  CB  ALA    17      34.363 -32.963   1.936          0.094
+ATOM     34  CA  GLY    18      37.377 -30.767   3.350          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   73.55                                       ENERGY     1.96543E-01
+ATOM      1  CA  GLY     1       4.366   0.409   4.696          0.064
+ATOM      2  CA  ALA     2       3.220  -2.803   3.061          0.019
+ATOM      3  CB  ALA     2       2.906  -3.108   3.678          0.008
+ATOM      4  CA  ALA     3       3.262  -1.375  -0.501          0.054
+ATOM      5  CB  ALA     3       3.042  -0.736  -0.722          0.034
+ATOM      6  CA  ALA     4       6.860  -2.449  -1.207          0.020
+ATOM      7  CB  ALA     4       7.001  -2.385  -0.539          0.002
+ATOM      8  CA  CYS     5       8.551  -5.414  -2.859          0.001
+ATOM      9  CB  CYS     5       9.132  -5.217  -3.936          0.041
+ATOM     10  CA  ALA     6       9.557  -8.008  -0.221          0.018
+ATOM     11  CB  ALA     6       9.662  -8.287   0.472          0.167
+ATOM     12  CA  ALA     7      12.130 -10.670  -1.003          0.058
+ATOM     13  CB  ALA     7      12.949 -10.645  -0.943          0.003
+ATOM     14  CA  ALA     8      11.493 -12.957   1.928          0.054
+ATOM     15  CB  ALA     8      10.987 -12.658   2.387          0.009
+ATOM     16  CA  ALA     9      11.918 -16.106  -0.227          0.142
+ATOM     17  CB  ALA     9      11.416 -16.279  -0.720          0.055
+ATOM     18  CA  ALA    10      15.481 -16.224  -1.542          0.043
+ATOM     19  CB  ALA    10      15.736 -15.695  -1.964          0.098
+ATOM     20  CA  ALA    11      18.228 -18.412   0.018          0.017
+ATOM     21  CB  ALA    11      17.935 -19.019  -0.252          0.039
+ATOM     22  CA  ALA    12      22.038 -18.092  -0.129          0.005
+ATOM     23  CB  ALA    12      22.439 -17.852   0.388          0.019
+ATOM     24  CA  ALA    13      24.928 -20.200  -1.278          0.007
+ATOM     25  CB  ALA    13      25.338 -20.014  -1.847          0.061
+ATOM     26  CA  CYS    14      27.361 -22.679   0.329          0.025
+ATOM     27  CB  CYS    14      26.366 -23.412   0.267          0.060
+ATOM     28  CA  ALA    15      30.518 -24.766   0.449          0.024
+ATOM     29  CB  ALA    15      30.953 -24.462   0.927          0.240
+ATOM     30  CA  ALA    16      30.957 -28.546   0.118          0.002
+ATOM     31  CB  ALA    16      31.033 -28.815  -0.565          0.051
+ATOM     32  CA  ALA    17      33.050 -31.246   2.019          0.030
+ATOM     33  CB  ALA    17      32.951 -31.074   2.718          0.098
+ATOM     34  CA  GLY    18      32.867 -34.484   0.139          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   93.96                                       ENERGY     2.18264E+01
+ATOM      1  CA  GLY     1       4.633  -3.190   4.982          0.011
+ATOM      2  CA  ALA     2       4.733  -4.978   1.581          0.007
+ATOM      3  CB  ALA     2       4.945  -5.121   0.847          0.029
+ATOM      4  CA  ALA     3       4.495  -1.782  -0.465          0.038
+ATOM      5  CB  ALA     3       4.332  -1.003  -0.364          0.010
+ATOM      6  CA  ALA     4       8.081  -2.136  -1.801          0.005
+ATOM      7  CB  ALA     4       8.614  -1.696  -1.524          0.049
+ATOM      8  CA  CYS     5       8.903  -5.894  -1.801          0.025
+ATOM      9  CB  CYS     5       7.896  -6.493  -2.185          0.016
+ATOM     10  CA  ALA     6      12.027  -7.430  -0.193          0.007
+ATOM     11  CB  ALA     6      12.576  -7.287   0.244          0.039
+ATOM     12  CA  ALA     7      11.705 -11.253  -0.176          0.022
+ATOM     13  CB  ALA     7      11.070 -11.698  -0.455          0.055
+ATOM     14  CA  ALA     8      14.926 -13.001   0.896          0.036
+ATOM     15  CB  ALA     8      14.884 -12.709   1.600          0.079
+ATOM     16  CA  ALA     9      13.182 -16.316   1.012          0.010
+ATOM     17  CB  ALA     9      12.443 -16.370   0.943          0.206
+ATOM     18  CA  ALA    10      14.226 -17.134  -2.557          0.050
+ATOM     19  CB  ALA    10      14.349 -17.062  -3.258          0.089
+ATOM     20  CA  ALA    11      17.586 -18.869  -1.612          0.061
+ATOM     21  CB  ALA    11      17.896 -19.452  -1.905          0.159
+ATOM     22  CA  ALA    12      21.029 -18.571  -0.120          0.051
+ATOM     23  CB  ALA    12      21.172 -18.184   0.395          0.064
+ATOM     24  CA  ALA    13      23.795 -20.972  -1.044          0.023
+ATOM     25  CB  ALA    13      23.673 -20.227  -1.213          0.113
+ATOM     26  CA  CYS    14      26.422 -20.856   1.793          0.025
+ATOM     27  CB  CYS    14      25.677 -21.257   2.680          0.007
+ATOM     28  CA  ALA    15      29.320 -23.225   1.314          0.028
+ATOM     29  CB  ALA    15      30.041 -23.252   1.282          0.087
+ATOM     30  CA  ALA    16      29.135 -26.859   0.300          0.040
+ATOM     31  CB  ALA    16      28.560 -27.181  -0.080          0.067
+ATOM     32  CA  ALA    17      31.655 -29.721   0.263          0.009
+ATOM     33  CB  ALA    17      32.049 -29.944   0.825          0.077
+ATOM     34  CA  GLY    18      31.998 -33.372  -0.692          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  123.96                                       ENERGY     2.30766E+00
+ATOM      1  CA  GLY     1       4.483   1.083   2.657          0.019
+ATOM      2  CA  ALA     2       3.751  -2.533   3.264          0.023
+ATOM      3  CB  ALA     2       3.125  -2.652   3.594          0.097
+ATOM      4  CA  ALA     3       4.643  -3.417  -0.353          0.025
+ATOM      5  CB  ALA     3       4.645  -2.979  -0.920          0.116
+ATOM      6  CA  ALA     4       8.384  -3.679   0.023          0.013
+ATOM      7  CB  ALA     4       8.716  -3.674   0.743          0.006
+ATOM      8  CA  CYS     5      10.214  -6.573  -1.652          0.008
+ATOM      9  CB  CYS     5      10.956  -6.335  -2.535          0.027
+ATOM     10  CA  ALA     6      12.086  -9.189   0.492          0.024
+ATOM     11  CB  ALA     6      11.575  -9.542   0.957          0.002
+ATOM     12  CA  ALA     7      15.094 -10.757  -1.260          0.016
+ATOM     13  CB  ALA     7      15.707 -10.264  -1.197          0.098
+ATOM     14  CA  ALA     8      14.897 -13.915   0.947          0.051
+ATOM     15  CB  ALA     8      15.411 -13.568   1.376          0.131
+ATOM     16  CA  ALA     9      11.746 -15.268  -0.746          0.013
+ATOM     17  CB  ALA     9      11.274 -15.207  -1.313          0.025
+ATOM     18  CA  ALA    10      13.691 -17.677  -2.854          0.024
+ATOM     19  CB  ALA    10      13.788 -17.196  -3.398          0.111
+ATOM     20  CA  ALA    11      15.784 -20.613  -1.783          0.002
+ATOM     21  CB  ALA    11      15.836 -21.369  -1.782          0.104
+ATOM     22  CA  ALA    12      19.061 -19.513  -0.145          0.016
+ATOM     23  CB  ALA    12      19.391 -19.583   0.532          0.056
+ATOM     24  CA  ALA    13      22.577 -20.749  -0.568          0.003
+ATOM     25  CB  ALA    13      22.686 -20.711  -1.312          0.164
+ATOM     26  CA  CYS    14      25.522 -21.007   1.778          0.062
+ATOM     27  CB  CYS    14      25.150 -22.081   2.067          0.026
+ATOM     28  CA  ALA    15      28.695 -22.554   0.297          0.128
+ATOM     29  CB  ALA    15      29.232 -22.159   0.408          0.013
+ATOM     30  CA  ALA    16      29.747 -26.153  -0.052          0.019
+ATOM     31  CB  ALA    16      29.569 -26.459  -0.689          0.092
+ATOM     32  CA  ALA    17      32.649 -27.993   1.654          0.027
+ATOM     33  CB  ALA    17      33.087 -28.439   2.081          0.042
+ATOM     34  CA  GLY    18      33.204 -31.337  -0.141          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  150.50                                       ENERGY     4.32872E+00
+ATOM      1  CA  GLY     1       3.335   2.224   3.021          0.022
+ATOM      2  CA  ALA     2       4.820  -1.246   3.718          0.046
+ATOM      3  CB  ALA     2       5.156  -1.988   3.697          0.089
+ATOM      4  CA  ALA     3       4.769  -2.119   0.037          0.034
+ATOM      5  CB  ALA     3       4.819  -1.831  -0.659          0.038
+ATOM      6  CA  ALA     4       8.589  -2.214  -0.090          0.003
+ATOM      7  CB  ALA     4       8.467  -1.849   0.611          0.017
+ATOM      8  CA  CYS     5      10.478  -5.251  -1.257          0.054
+ATOM      9  CB  CYS     5      11.215  -5.297  -2.189          0.027
+ATOM     10  CA  ALA     6      10.397  -8.945  -0.074          0.031
+ATOM     11  CB  ALA     6       9.766  -9.197  -0.412          0.118
+ATOM     12  CA  ALA     7      13.482 -11.241  -0.324          0.027
+ATOM     13  CB  ALA     7      13.847 -11.081   0.253          0.024
+ATOM     14  CA  ALA     8      11.525 -14.139   1.117          0.051
+ATOM     15  CB  ALA     8      10.955 -14.010   1.666          0.048
+ATOM     16  CA  ALA     9      10.846 -15.604  -2.306          0.020
+ATOM     17  CB  ALA     9      10.500 -15.079  -2.693          0.013
+ATOM     18  CA  ALA    10      14.511 -16.685  -2.606          0.007
+ATOM     19  CB  ALA    10      15.263 -16.804  -2.709          0.323
+ATOM     20  CA  ALA    11      15.693 -19.970  -1.083          0.009
+ATOM     21  CB  ALA    11      15.485 -20.534  -1.409          0.061
+ATOM     22  CA  ALA    12      19.230 -21.103  -0.068          0.010
+ATOM     23  CB  ALA    12      18.767 -21.096   0.534          0.014
+ATOM     24  CA  ALA    13      22.566 -22.101  -1.712          0.070
+ATOM     25  CB  ALA    13      22.836 -21.461  -1.960          0.091
+ATOM     26  CA  CYS    14      25.287 -24.394  -0.210          0.015
+ATOM     27  CB  CYS    14      25.095 -25.310   0.554          0.050
+ATOM     28  CA  ALA    15      29.147 -24.558  -0.611          0.017
+ATOM     29  CB  ALA    15      29.395 -23.921  -0.422          0.053
+ATOM     30  CA  ALA    16      31.442 -27.343   0.568          0.042
+ATOM     31  CB  ALA    16      31.610 -27.788   0.024          0.111
+ATOM     32  CA  ALA    17      34.473 -27.168   2.742          0.022
+ATOM     33  CB  ALA    17      34.400 -27.811   3.174          0.102
+ATOM     34  CA  GLY    18      37.762 -25.301   2.404          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  173.00                                       ENERGY     1.72406E+01
+ATOM      1  CA  GLY     1       5.685  -0.716   4.946          0.011
+ATOM      2  CA  ALA     2       4.294  -1.902   1.627          0.023
+ATOM      3  CB  ALA     2       3.584  -1.933   1.446          0.028
+ATOM      4  CA  ALA     3       5.974   0.893  -0.341          0.050
+ATOM      5  CB  ALA     3       6.494   1.389  -0.316          0.079
+ATOM      6  CA  ALA     4       9.048  -1.275  -0.920          0.017
+ATOM      7  CB  ALA     4       9.550  -1.263  -0.330          0.073
+ATOM      8  CA  CYS     5       8.659  -4.969  -0.326          0.011
+ATOM      9  CB  CYS     5       7.948  -5.489  -1.249          0.018
+ATOM     10  CA  ALA     6      10.624  -7.869   1.022          0.105
+ATOM     11  CB  ALA     6      10.106  -8.396   1.431          0.081
+ATOM     12  CA  ALA     7      11.206 -11.451  -0.218          0.009
+ATOM     13  CB  ALA     7      11.173 -11.475  -0.919          0.047
+ATOM     14  CA  ALA     8      12.551 -14.385   1.756          0.007
+ATOM     15  CB  ALA     8      12.232 -14.804   2.296          0.156
+ATOM     16  CA  ALA     9      12.459 -16.318  -1.441          0.013
+ATOM     17  CB  ALA     9      12.000 -16.047  -1.838          0.044
+ATOM     18  CA  ALA    10      16.165 -16.198  -1.863          0.023
+ATOM     19  CB  ALA    10      16.289 -15.819  -1.272          0.031
+ATOM     20  CA  ALA    11      17.510 -19.616  -2.990          0.013
+ATOM     21  CB  ALA    11      17.989 -19.734  -3.641          0.102
+ATOM     22  CA  ALA    12      18.850 -22.818  -1.465          0.004
+ATOM     23  CB  ALA    12      18.258 -23.134  -1.316          0.015
+ATOM     24  CA  ALA    13      22.595 -23.077  -0.821          0.010
+ATOM     25  CB  ALA    13      22.983 -22.613  -0.509          0.168
+ATOM     26  CA  CYS    14      24.772 -26.027   0.095          0.014
+ATOM     27  CB  CYS    14      24.392 -26.632  -0.841          0.010
+ATOM     28  CA  ALA    15      28.508 -26.410  -0.631          0.014
+ATOM     29  CB  ALA    15      28.484 -26.142  -1.280          0.057
+ATOM     30  CA  ALA    16      31.369 -26.398   1.904          0.008
+ATOM     31  CB  ALA    16      31.673 -27.038   2.161          0.024
+ATOM     32  CA  ALA    17      34.374 -24.044   1.691          0.027
+ATOM     33  CB  ALA    17      34.186 -23.261   1.745          0.053
+ATOM     34  CA  GLY    18      37.000 -25.828   3.765          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  196.37                                       ENERGY     1.02675E+01
+ATOM      1  CA  GLY     1       4.595   4.350   4.521          0.008
+ATOM      2  CA  ALA     2       4.211   0.729   3.480          0.006
+ATOM      3  CB  ALA     2       3.722   0.137   3.686          0.133
+ATOM      4  CA  ALA     3       5.370   0.201  -0.112          0.048
+ATOM      5  CB  ALA     3       5.536   0.979  -0.138          0.051
+ATOM      6  CA  ALA     4       8.366  -2.060   0.639          0.030
+ATOM      7  CB  ALA     4       8.653  -2.118   1.301          0.032
+ATOM      8  CA  CYS     5       8.551  -5.557  -0.591          0.030
+ATOM      9  CB  CYS     5       8.713  -5.318  -1.835          0.045
+ATOM     10  CA  ALA     6      11.328  -8.025   0.172          0.028
+ATOM     11  CB  ALA     6      11.968  -8.174   0.543          0.167
+ATOM     12  CA  ALA     7      11.008 -11.677  -0.771          0.014
+ATOM     13  CB  ALA     7      11.495 -11.553  -1.294          0.151
+ATOM     14  CA  ALA     8      12.358 -14.832   0.931          0.071
+ATOM     15  CB  ALA     8      12.365 -14.905   1.670          0.016
+ATOM     16  CA  ALA     9      12.160 -17.874  -1.284          0.014
+ATOM     17  CB  ALA     9      12.169 -18.522  -1.720          0.084
+ATOM     18  CA  ALA    10      15.771 -17.659  -2.539          0.024
+ATOM     19  CB  ALA    10      16.228 -17.068  -2.333          0.084
+ATOM     20  CA  ALA    11      17.737 -20.908  -2.786          0.037
+ATOM     21  CB  ALA    11      17.633 -21.391  -3.331          0.078
+ATOM     22  CA  ALA    12      21.296 -20.924  -1.387          0.006
+ATOM     23  CB  ALA    12      21.285 -20.743  -0.711          0.092
+ATOM     24  CA  ALA    13      24.449 -22.950  -2.042          0.004
+ATOM     25  CB  ALA    13      25.151 -22.911  -2.101          0.083
+ATOM     26  CA  CYS    14      24.839 -26.580  -0.887          0.007
+ATOM     27  CB  CYS    14      23.748 -27.075  -1.046          0.051
+ATOM     28  CA  ALA    15      28.126 -28.224   0.198          0.018
+ATOM     29  CB  ALA    15      28.557 -28.579  -0.269          0.038
+ATOM     30  CA  ALA    16      30.352 -26.136   2.285          0.007
+ATOM     31  CB  ALA    16      30.522 -26.320   3.011          0.037
+ATOM     32  CA  ALA    17      33.016 -23.505   1.547          0.052
+ATOM     33  CB  ALA    17      32.504 -22.933   1.463          0.068
+ATOM     34  CA  GLY    18      35.716 -22.438   4.105          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  217.84                                       ENERGY     2.99297E+01
+ATOM      1  CA  GLY     1       4.572   4.939   0.850          0.008
+ATOM      2  CA  ALA     2       6.091   2.585   3.475          0.025
+ATOM      3  CB  ALA     2       5.993   2.701   4.227          0.046
+ATOM      4  CA  ALA     3       4.942  -0.949   2.648          0.013
+ATOM      5  CB  ALA     3       4.404  -0.912   2.059          0.056
+ATOM      6  CA  ALA     4       7.755  -3.504   2.338          0.041
+ATOM      7  CB  ALA     4       7.859  -3.960   2.876          0.001
+ATOM      8  CA  CYS     5       9.246  -5.151  -0.699          0.012
+ATOM      9  CB  CYS     5      10.298  -4.435  -0.794          0.025
+ATOM     10  CA  ALA     6      10.204  -8.825  -0.539          0.008
+ATOM     11  CB  ALA     6      10.188  -9.030   0.129          0.039
+ATOM     12  CA  ALA     7      11.075 -11.819  -2.658          0.007
+ATOM     13  CB  ALA     7      11.780 -11.837  -2.952          0.027
+ATOM     14  CA  ALA     8      12.091 -15.002  -0.844          0.008
+ATOM     15  CB  ALA     8      11.925 -14.626  -0.249          0.027
+ATOM     16  CA  ALA     9      11.506 -18.441  -2.349          0.009
+ATOM     17  CB  ALA     9      11.232 -18.842  -2.882          0.060
+ATOM     18  CA  ALA    10      15.188 -18.965  -3.340          0.013
+ATOM     19  CB  ALA    10      15.395 -18.794  -4.024          0.075
+ATOM     20  CA  ALA    11      17.888 -19.739  -0.748          0.010
+ATOM     21  CB  ALA    11      17.844 -20.420  -0.482          0.042
+ATOM     22  CA  ALA    12      21.474 -20.533  -1.620          0.013
+ATOM     23  CB  ALA    12      21.939 -19.926  -1.327          0.002
+ATOM     24  CA  ALA    13      23.681 -23.640  -2.150          0.004
+ATOM     25  CB  ALA    13      23.878 -23.330  -2.872          0.027
+ATOM     26  CA  CYS    14      25.739 -25.288   0.635          0.020
+ATOM     27  CB  CYS    14      24.910 -26.247   0.872          0.015
+ATOM     28  CA  ALA    15      27.932 -28.091  -0.376          0.004
+ATOM     29  CB  ALA    15      28.303 -27.830  -1.066          0.060
+ATOM     30  CA  ALA    16      31.219 -26.507   0.828          0.055
+ATOM     31  CB  ALA    16      31.277 -27.260   1.133          0.248
+ATOM     32  CA  ALA    17      32.062 -23.259   2.728          0.098
+ATOM     33  CB  ALA    17      31.625 -23.376   3.127          0.279
+ATOM     34  CA  GLY    18      35.466 -21.845   3.922          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  241.24                                       ENERGY     1.12832E+01
+ATOM      1  CA  GLY     1       5.469   3.714  -0.900          0.001
+ATOM      2  CA  ALA     2       6.761   3.914   2.691          0.026
+ATOM      3  CB  ALA     2       6.384   4.239   3.220          0.007
+ATOM      4  CA  ALA     3       6.266   0.215   3.386          0.004
+ATOM      5  CB  ALA     3       5.611  -0.099   3.357          0.059
+ATOM      6  CA  ALA     4       8.353  -2.778   2.306          0.011
+ATOM      7  CB  ALA     4       9.032  -2.818   2.628          0.053
+ATOM      8  CA  CYS     5       7.826  -6.484   1.440          0.013
+ATOM      9  CB  CYS     5       7.230  -6.331   0.408          0.054
+ATOM     10  CA  ALA     6      10.355  -9.296   0.927          0.026
+ATOM     11  CB  ALA     6      10.564  -9.253   1.623          0.118
+ATOM     12  CA  ALA     7      10.663 -12.058  -1.613          0.016
+ATOM     13  CB  ALA     7      10.800 -11.675  -2.293          0.028
+ATOM     14  CA  ALA     8      12.148 -15.590  -2.095          0.028
+ATOM     15  CB  ALA     8      12.682 -15.338  -1.599          0.076
+ATOM     16  CA  ALA     9      12.078 -17.611  -5.395          0.026
+ATOM     17  CB  ALA     9      11.960 -17.590  -6.151          0.055
+ATOM     18  CA  ALA    10      15.306 -19.285  -4.400          0.004
+ATOM     19  CB  ALA    10      15.630 -18.974  -5.053          0.041
+ATOM     20  CA  ALA    11      16.638 -21.079  -1.279          0.016
+ATOM     21  CB  ALA    11      16.518 -21.704  -0.894          0.016
+ATOM     22  CA  ALA    12      20.344 -21.000  -0.474          0.050
+ATOM     23  CB  ALA    12      20.783 -20.669   0.035          0.076
+ATOM     24  CA  ALA    13      22.601 -23.881  -1.612          0.038
+ATOM     25  CB  ALA    13      22.426 -24.144  -2.232          0.117
+ATOM     26  CA  CYS    14      26.249 -23.930  -0.529          0.076
+ATOM     27  CB  CYS    14      26.111 -23.816   0.686          0.032
+ATOM     28  CA  ALA    15      28.235 -26.989   0.206          0.018
+ATOM     29  CB  ALA    15      28.396 -27.233  -0.517          0.026
+ATOM     30  CA  ALA    16      31.994 -26.955   1.035          0.012
+ATOM     31  CB  ALA    16      32.617 -26.810   0.526          0.143
+ATOM     32  CA  ALA    17      32.444 -23.925   3.274          0.045
+ATOM     33  CB  ALA    17      32.200 -24.436   3.725          0.094
+ATOM     34  CA  GLY    18      35.920 -22.729   4.373          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  265.73                                       ENERGY     4.09982E+00
+ATOM      1  CA  GLY     1       3.593   3.588   0.750          0.004
+ATOM      2  CA  ALA     2       7.251   4.205   1.397          0.024
+ATOM      3  CB  ALA     2       7.566   4.683   1.935          0.013
+ATOM      4  CA  ALA     3       7.639   0.836   3.161          0.002
+ATOM      5  CB  ALA     3       7.456   0.774   3.778          0.028
+ATOM      6  CA  ALA     4       7.975  -2.661   1.498          0.003
+ATOM      7  CB  ALA     4       8.357  -2.518   0.880          0.036
+ATOM      8  CA  CYS     5       8.009  -6.250   2.587          0.010
+ATOM      9  CB  CYS     5       6.950  -6.490   3.117          0.001
+ATOM     10  CA  ALA     6       9.897  -8.900   0.500          0.016
+ATOM     11  CB  ALA     6      10.619  -8.852   0.661          0.111
+ATOM     12  CA  ALA     7       9.225 -12.184  -1.341          0.030
+ATOM     13  CB  ALA     7       8.753 -12.523  -1.770          0.074
+ATOM     14  CA  ALA     8      11.877 -14.590  -2.690          0.015
+ATOM     15  CB  ALA     8      12.252 -14.690  -2.055          0.034
+ATOM     16  CA  ALA     9      11.230 -17.625  -4.924          0.009
+ATOM     17  CB  ALA     9      11.264 -17.519  -5.628          0.037
+ATOM     18  CA  ALA    10      14.513 -19.557  -5.511          0.034
+ATOM     19  CB  ALA    10      15.030 -19.279  -5.969          0.209
+ATOM     20  CA  ALA    11      16.338 -21.536  -2.951          0.087
+ATOM     21  CB  ALA    11      16.068 -22.137  -3.188          0.032
+ATOM     22  CA  ALA    12      20.106 -22.134  -2.515          0.110
+ATOM     23  CB  ALA    12      20.593 -21.614  -2.439          0.308
+ATOM     24  CA  ALA    13      22.309 -25.047  -1.266          0.014
+ATOM     25  CB  ALA    13      22.245 -25.051  -1.956          0.175
+ATOM     26  CA  CYS    14      25.792 -23.901   0.012          0.040
+ATOM     27  CB  CYS    14      25.339 -22.745   0.306          0.005
+ATOM     28  CA  ALA    15      28.863 -26.034   0.864          0.030
+ATOM     29  CB  ALA    15      29.373 -25.876   0.293          0.050
+ATOM     30  CA  ALA    16      31.852 -25.894   3.306          0.043
+ATOM     31  CB  ALA    16      31.842 -26.452   3.795          0.098
+ATOM     32  CA  ALA    17      35.551 -24.914   3.050          0.019
+ATOM     33  CB  ALA    17      35.994 -24.273   3.116          0.104
+ATOM     34  CA  GLY    18      37.920 -25.707   5.995          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  289.03                                       ENERGY     1.51157E+01
+ATOM      1  CA  GLY     1       4.210   2.880   5.139          0.018
+ATOM      2  CA  ALA     2       6.335   4.170   2.328          0.020
+ATOM      3  CB  ALA     2       6.933   4.676   2.450          0.015
+ATOM      4  CA  ALA     3       7.995   0.725   1.851          0.005
+ATOM      5  CB  ALA     3       8.348   0.577   2.485          0.050
+ATOM      6  CA  ALA     4       7.374  -2.527   0.163          0.001
+ATOM      7  CB  ALA     4       7.625  -2.510  -0.581          0.047
+ATOM      8  CA  CYS     5       8.227  -6.214   0.915          0.010
+ATOM      9  CB  CYS     5       7.770  -6.610   2.009          0.010
+ATOM     10  CA  ALA     6       9.627  -8.905  -1.358          0.021
+ATOM     11  CB  ALA     6      10.217  -8.687  -1.773          0.055
+ATOM     12  CA  ALA     7      10.472 -12.423  -0.503          0.029
+ATOM     13  CB  ALA     7       9.942 -12.832  -0.230          0.020
+ATOM     14  CA  ALA     8      12.408 -15.078  -2.602          0.052
+ATOM     15  CB  ALA     8      13.101 -14.742  -2.646          0.017
+ATOM     16  CA  ALA     9      11.535 -18.685  -1.882          0.026
+ATOM     17  CB  ALA     9      10.760 -18.736  -1.922          0.032
+ATOM     18  CA  ALA    10      13.598 -19.748  -4.909          0.065
+ATOM     19  CB  ALA    10      13.722 -19.050  -4.848          0.108
+ATOM     20  CA  ALA    11      16.699 -21.747  -4.007          0.046
+ATOM     21  CB  ALA    11      16.774 -21.998  -4.784          0.151
+ATOM     22  CA  ALA    12      20.383 -21.111  -3.111          0.038
+ATOM     23  CB  ALA    12      20.425 -20.791  -2.377          0.106
+ATOM     24  CA  ALA    13      22.606 -23.818  -1.780          0.004
+ATOM     25  CB  ALA    13      22.584 -24.304  -2.254          0.050
+ATOM     26  CA  CYS    14      25.660 -23.196   0.336          0.027
+ATOM     27  CB  CYS    14      25.992 -22.326   1.113          0.013
+ATOM     28  CA  ALA    15      29.071 -24.838   0.232          0.011
+ATOM     29  CB  ALA    15      29.198 -24.459  -0.356          0.344
+ATOM     30  CA  ALA    16      31.447 -26.217   3.031          0.013
+ATOM     31  CB  ALA    16      31.376 -26.889   2.787          0.047
+ATOM     32  CA  ALA    17      34.458 -25.222   5.223          0.005
+ATOM     33  CB  ALA    17      34.590 -25.401   5.894          0.165
+ATOM     34  CA  GLY    18      36.930 -27.275   3.310          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  319.03                                       ENERGY     2.60926E+00
+ATOM      1  CA  GLY     1       9.175   1.132   5.828          0.011
+ATOM      2  CA  ALA     2       5.657   1.291   4.401          0.022
+ATOM      3  CB  ALA     2       5.240   1.971   4.213          0.012
+ATOM      4  CA  ALA     3       6.869   0.166   0.899          0.027
+ATOM      5  CB  ALA     3       7.421   0.625   0.688          0.072
+ATOM      6  CA  ALA     4       7.160  -3.430  -0.604          0.009
+ATOM      7  CB  ALA     4       6.753  -3.584  -1.242          0.015
+ATOM      8  CA  CYS     5      10.177  -5.642  -0.807          0.060
+ATOM      9  CB  CYS     5      10.261  -6.095   0.336          0.015
+ATOM     10  CA  ALA     6      10.536  -8.827  -2.722          0.039
+ATOM     11  CB  ALA     6      10.904  -8.997  -3.386          0.022
+ATOM     12  CA  ALA     7       9.540 -12.221  -1.210          0.006
+ATOM     13  CB  ALA     7       8.773 -12.307  -0.999          0.026
+ATOM     14  CA  ALA     8      11.852 -15.152  -1.712          0.056
+ATOM     15  CB  ALA     8      12.547 -15.257  -1.567          0.023
+ATOM     16  CA  ALA     9      10.420 -18.629  -2.434          0.016
+ATOM     17  CB  ALA     9      10.228 -19.118  -2.961          0.058
+ATOM     18  CA  ALA    10      13.758 -19.739  -3.896          0.040
+ATOM     19  CB  ALA    10      14.042 -19.478  -4.518          0.035
+ATOM     20  CA  ALA    11      16.541 -20.334  -1.315          0.063
+ATOM     21  CB  ALA    11      16.924 -20.822  -0.922          0.117
+ATOM     22  CA  ALA    12      20.057 -19.357  -0.754          0.014
+ATOM     23  CB  ALA    12      20.363 -19.005  -0.168          0.072
+ATOM     24  CA  ALA    13      23.066 -21.291  -1.804          0.002
+ATOM     25  CB  ALA    13      23.173 -20.683  -2.109          0.114
+ATOM     26  CA  CYS    14      25.636 -23.618  -0.118          0.017
+ATOM     27  CB  CYS    14      25.672 -24.907  -0.109          0.003
+ATOM     28  CA  ALA    15      29.286 -22.736   0.794          0.025
+ATOM     29  CB  ALA    15      29.750 -22.664   1.347          0.027
+ATOM     30  CA  ALA    16      31.760 -25.533   1.307          0.030
+ATOM     31  CB  ALA    16      32.438 -25.394   0.915          0.076
+ATOM     32  CA  ALA    17      32.458 -27.010   4.692          0.054
+ATOM     33  CB  ALA    17      31.999 -27.255   5.238          0.103
+ATOM     34  CA  GLY    18      36.112 -27.959   4.356          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  342.91                                       ENERGY     3.33459E+00
+ATOM      1  CA  GLY     1      10.068   2.779   4.507          0.010
+ATOM      2  CA  ALA     2       7.063   0.677   5.438          0.048
+ATOM      3  CB  ALA     2       6.786   1.219   5.793          0.021
+ATOM      4  CA  ALA     3       6.380  -0.548   1.888          0.029
+ATOM      5  CB  ALA     3       6.304   0.049   1.282          0.139
+ATOM      6  CA  ALA     4       6.749  -3.952   0.160          0.016
+ATOM      7  CB  ALA     4       6.237  -4.378  -0.290          0.027
+ATOM      8  CA  CYS     5       9.525  -5.594  -1.835          0.009
+ATOM      9  CB  CYS     5       9.767  -6.241  -0.799          0.006
+ATOM     10  CA  ALA     6       9.544  -8.366  -4.452          0.003
+ATOM     11  CB  ALA     6       9.753  -8.060  -5.136          0.183
+ATOM     12  CA  ALA     7      10.020 -11.700  -2.609          0.012
+ATOM     13  CB  ALA     7       9.559 -11.623  -2.045          0.189
+ATOM     14  CA  ALA     8      11.229 -15.108  -3.653          0.021
+ATOM     15  CB  ALA     8      11.797 -14.782  -3.877          0.118
+ATOM     16  CA  ALA     9      10.561 -18.427  -1.833          0.031
+ATOM     17  CB  ALA     9      10.021 -18.842  -1.944          0.100
+ATOM     18  CA  ALA    10      13.891 -19.900  -3.037          0.006
+ATOM     19  CB  ALA    10      14.245 -19.647  -3.674          0.202
+ATOM     20  CA  ALA    11      16.695 -20.628  -0.615          0.003
+ATOM     21  CB  ALA    11      17.016 -21.325  -0.387          0.081
+ATOM     22  CA  ALA    12      20.079 -19.446   0.547          0.002
+ATOM     23  CB  ALA    12      20.245 -19.535   1.344          0.061
+ATOM     24  CA  ALA    13      23.457 -20.465  -0.904          0.005
+ATOM     25  CB  ALA    13      23.563 -19.758  -0.954          0.148
+ATOM     26  CA  CYS    14      25.668 -23.187   0.558          0.005
+ATOM     27  CB  CYS    14      26.034 -24.173  -0.063          0.088
+ATOM     28  CA  ALA    15      29.444 -22.731   1.146          0.012
+ATOM     29  CB  ALA    15      29.457 -22.118   1.488          0.106
+ATOM     30  CA  ALA    16      31.384 -25.979   1.047          0.018
+ATOM     31  CB  ALA    16      31.944 -26.029   0.466          0.131
+ATOM     32  CA  ALA    17      33.031 -27.574   4.065          0.004
+ATOM     33  CB  ALA    17      32.347 -28.051   4.061          0.035
+ATOM     34  CA  GLY    18      36.515 -28.816   4.785          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  371.54                                       ENERGY     5.11938E+00
+ATOM      1  CA  GLY     1       6.785   4.475   6.056          0.029
+ATOM      2  CA  ALA     2       9.321   2.220   4.312          0.027
+ATOM      3  CB  ALA     2       9.661   1.960   4.975          0.123
+ATOM      4  CA  ALA     3       8.349  -0.083   1.422          0.008
+ATOM      5  CB  ALA     3       8.937  -0.040   1.022          0.025
+ATOM      6  CA  ALA     4       6.643  -3.513   1.504          0.016
+ATOM      7  CB  ALA     4       6.055  -3.690   1.781          0.087
+ATOM      8  CA  CYS     5       6.623  -5.699  -1.634          0.027
+ATOM      9  CB  CYS     5       7.696  -6.119  -1.742          0.044
+ATOM     10  CA  ALA     6       5.972  -9.113  -3.318          0.031
+ATOM     11  CB  ALA     6       5.551  -9.259  -3.885          0.010
+ATOM     12  CA  ALA     7       9.090 -11.230  -3.931          0.004
+ATOM     13  CB  ALA     7       9.502 -11.426  -3.359          0.051
+ATOM     14  CA  ALA     8       9.504 -14.820  -5.154          0.028
+ATOM     15  CB  ALA     8       9.951 -15.007  -5.754          0.037
+ATOM     16  CA  ALA     9      11.465 -17.342  -3.176          0.011
+ATOM     17  CB  ALA     9      11.144 -18.063  -3.358          0.172
+ATOM     18  CA  ALA    10      15.243 -18.110  -2.982          0.013
+ATOM     19  CB  ALA    10      15.693 -17.544  -2.739          0.034
+ATOM     20  CA  ALA    11      17.289 -21.121  -1.916          0.022
+ATOM     21  CB  ALA    11      17.570 -21.251  -2.609          0.145
+ATOM     22  CA  ALA    12      20.057 -21.363   0.666          0.002
+ATOM     23  CB  ALA    12      19.488 -21.588   1.122          0.046
+ATOM     24  CA  ALA    13      23.785 -21.777   0.018          0.008
+ATOM     25  CB  ALA    13      24.184 -21.732  -0.638          0.072
+ATOM     26  CA  CYS    14      26.169 -23.066   2.798          0.034
+ATOM     27  CB  CYS    14      25.886 -24.098   3.251          0.046
+ATOM     28  CA  ALA    15      29.932 -23.433   2.031          0.023
+ATOM     29  CB  ALA    15      29.865 -22.745   2.413          0.032
+ATOM     30  CA  ALA    16      32.374 -26.065   0.921          0.007
+ATOM     31  CB  ALA    16      32.736 -26.540   0.539          0.090
+ATOM     32  CA  ALA    17      34.687 -27.715   3.518          0.011
+ATOM     33  CB  ALA    17      34.099 -27.726   3.839          0.026
+ATOM     34  CA  GLY    18      37.251 -30.286   2.495          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  397.98                                       ENERGY     1.22854E+01
+ATOM      1  CA  GLY     1       7.979   5.948   5.687          0.001
+ATOM      2  CA  ALA     2       8.473   2.519   4.140          0.021
+ATOM      3  CB  ALA     2       8.529   2.258   4.937          0.093
+ATOM      4  CA  ALA     3       6.326   0.272   1.850          0.029
+ATOM      5  CB  ALA     3       6.963   0.176   1.703          0.065
+ATOM      6  CA  ALA     4       7.491  -3.078   0.586          0.011
+ATOM      7  CB  ALA     4       6.762  -3.117   1.051          0.414
+ATOM      8  CA  CYS     5       6.348  -5.268  -2.282          0.014
+ATOM      9  CB  CYS     5       6.916  -4.970  -3.273          0.002
+ATOM     10  CA  ALA     6       6.341  -9.037  -2.218          0.024
+ATOM     11  CB  ALA     6       5.737  -9.301  -2.468          0.336
+ATOM     12  CA  ALA     7       9.175 -11.313  -3.042          0.011
+ATOM     13  CB  ALA     7       9.910 -11.064  -2.739          0.016
+ATOM     14  CA  ALA     8       9.431 -14.914  -4.198          0.017
+ATOM     15  CB  ALA     8       9.661 -14.515  -4.771          0.010
+ATOM     16  CA  ALA     9      11.844 -17.345  -2.625          0.016
+ATOM     17  CB  ALA     9      11.599 -17.891  -2.247          0.045
+ATOM     18  CA  ALA    10      15.450 -18.325  -3.300          0.008
+ATOM     19  CB  ALA    10      15.644 -17.638  -3.339          0.021
+ATOM     20  CA  ALA    11      17.592 -21.451  -2.870          0.004
+ATOM     21  CB  ALA    11      17.751 -21.487  -3.639          0.020
+ATOM     22  CA  ALA    12      20.212 -22.031  -0.127          0.030
+ATOM     23  CB  ALA    12      19.831 -22.335   0.450          0.003
+ATOM     24  CA  ALA    13      23.948 -21.846   0.185          0.003
+ATOM     25  CB  ALA    13      24.189 -21.156   0.295          0.003
+ATOM     26  CA  CYS    14      25.902 -24.248   2.474          0.000
+ATOM     27  CB  CYS    14      25.808 -25.338   1.908          0.011
+ATOM     28  CA  ALA    15      29.586 -24.209   3.155          0.005
+ATOM     29  CB  ALA    15      29.834 -24.004   3.823          0.025
+ATOM     30  CA  ALA    16      32.523 -26.005   1.626          0.002
+ATOM     31  CB  ALA    16      32.419 -25.539   1.035          0.008
+ATOM     32  CA  ALA    17      35.190 -28.170   3.323          0.005
+ATOM     33  CB  ALA    17      35.097 -28.798   3.746          0.021
+ATOM     34  CA  GLY    18      38.701 -29.107   2.160          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  421.31                                       ENERGY     7.60323E+00
+ATOM      1  CA  GLY     1       5.804   5.303   5.992          0.048
+ATOM      2  CA  ALA     2       7.612   3.798   2.994          0.014
+ATOM      3  CB  ALA     2       8.252   3.534   3.112          0.159
+ATOM      4  CA  ALA     3       6.304   0.655   1.527          0.005
+ATOM      5  CB  ALA     3       5.985   1.266   1.253          0.049
+ATOM      6  CA  ALA     4       7.461  -2.907   1.079          0.038
+ATOM      7  CB  ALA     4       7.423  -3.105   1.904          0.026
+ATOM      8  CA  CYS     5       6.294  -5.082  -1.790          0.024
+ATOM      9  CB  CYS     5       7.141  -5.002  -2.582          0.047
+ATOM     10  CA  ALA     6       6.510  -8.792  -2.234          0.008
+ATOM     11  CB  ALA     6       6.258  -9.457  -2.439          0.007
+ATOM     12  CA  ALA     7       9.585 -11.064  -2.632          0.009
+ATOM     13  CB  ALA     7       9.778 -11.408  -1.942          0.055
+ATOM     14  CA  ALA     8      10.288 -14.306  -4.326          0.028
+ATOM     15  CB  ALA     8      10.662 -14.520  -4.824          0.080
+ATOM     16  CA  ALA     9      11.822 -16.980  -2.205          0.004
+ATOM     17  CB  ALA     9      11.624 -17.456  -2.800          0.081
+ATOM     18  CA  ALA    10      15.428 -18.121  -2.719          0.055
+ATOM     19  CB  ALA    10      16.153 -18.078  -2.527          0.024
+ATOM     20  CA  ALA    11      17.574 -21.233  -2.615          0.051
+ATOM     21  CB  ALA    11      18.244 -21.364  -2.833          0.084
+ATOM     22  CA  ALA    12      19.654 -22.806   0.104          0.008
+ATOM     23  CB  ALA    12      19.294 -23.336   0.363          0.010
+ATOM     24  CA  ALA    13      23.424 -22.921   0.050          0.003
+ATOM     25  CB  ALA    13      23.809 -22.281  -0.034          0.016
+ATOM     26  CA  CYS    14      25.998 -25.249   1.550          0.003
+ATOM     27  CB  CYS    14      26.272 -26.131   0.621          0.005
+ATOM     28  CA  ALA    15      29.544 -24.485   2.744          0.002
+ATOM     29  CB  ALA    15      29.741 -24.554   3.458          0.010
+ATOM     30  CA  ALA    16      32.974 -25.486   1.611          0.011
+ATOM     31  CB  ALA    16      33.097 -24.959   1.176          0.021
+ATOM     32  CA  ALA    17      35.109 -28.060   3.442          0.005
+ATOM     33  CB  ALA    17      35.166 -28.740   3.492          0.009
+ATOM     34  CA  GLY    18      38.808 -28.763   3.346          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  447.37                                       ENERGY     6.95261E+00
+ATOM      1  CA  GLY     1       4.679   5.650   5.402          0.008
+ATOM      2  CA  ALA     2       6.536   4.367   2.383          0.019
+ATOM      3  CB  ALA     2       7.095   4.192   1.964          0.095
+ATOM      4  CA  ALA     3       5.309   0.957   1.489          0.024
+ATOM      5  CB  ALA     3       5.028   1.216   0.893          0.053
+ATOM      6  CA  ALA     4       6.483  -2.540   1.349          0.028
+ATOM      7  CB  ALA     4       6.281  -2.601   2.141          0.036
+ATOM      8  CA  CYS     5       7.337  -4.984  -1.368          0.028
+ATOM      9  CB  CYS     5       8.294  -4.328  -1.813          0.002
+ATOM     10  CA  ALA     6       7.506  -8.586  -2.061          0.031
+ATOM     11  CB  ALA     6       6.966  -9.059  -2.375          0.089
+ATOM     12  CA  ALA     7      10.584 -10.820  -1.694          0.106
+ATOM     13  CB  ALA     7      10.317 -11.111  -1.099          0.029
+ATOM     14  CA  ALA     8      10.356 -14.054  -3.743          0.066
+ATOM     15  CB  ALA     8      10.638 -13.602  -4.360          0.315
+ATOM     16  CA  ALA     9      12.177 -17.290  -2.726          0.039
+ATOM     17  CB  ALA     9      12.052 -17.899  -2.273          0.049
+ATOM     18  CA  ALA    10      15.787 -18.646  -2.970          0.059
+ATOM     19  CB  ALA    10      15.960 -17.960  -2.732          0.019
+ATOM     20  CA  ALA    11      17.103 -22.240  -2.604          0.071
+ATOM     21  CB  ALA    11      17.369 -21.930  -3.171          0.012
+ATOM     22  CA  ALA    12      19.646 -23.395  -0.032          0.050
+ATOM     23  CB  ALA    12      19.361 -23.942   0.399          0.047
+ATOM     24  CA  ALA    13      23.453 -23.037  -0.321          0.030
+ATOM     25  CB  ALA    13      23.645 -22.321  -0.371          0.008
+ATOM     26  CA  CYS    14      26.035 -25.305   1.156          0.006
+ATOM     27  CB  CYS    14      26.239 -26.275   0.349          0.009
+ATOM     28  CA  ALA    15      29.498 -24.856   2.494          0.004
+ATOM     29  CB  ALA    15      29.522 -24.531   3.118          0.022
+ATOM     30  CA  ALA    16      33.087 -25.913   1.782          0.014
+ATOM     31  CB  ALA    16      33.704 -25.494   1.535          0.034
+ATOM     32  CA  ALA    17      35.398 -28.482   3.404          0.000
+ATOM     33  CB  ALA    17      35.186 -29.144   3.124          0.000
+ATOM     34  CA  GLY    18      39.069 -28.045   3.606          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  468.33                                       ENERGY    -1.69259E+00
+ATOM      1  CA  GLY     1       3.785   7.008   3.443          0.004
+ATOM      2  CA  ALA     2       6.280   4.203   2.624          0.032
+ATOM      3  CB  ALA     2       6.776   3.690   2.785          0.020
+ATOM      4  CA  ALA     3       5.027   0.866   1.133          0.003
+ATOM      5  CB  ALA     3       4.794   1.112   0.461          0.073
+ATOM      6  CA  ALA     4       6.185  -2.706   1.598          0.013
+ATOM      7  CB  ALA     4       5.777  -3.243   1.956          0.049
+ATOM      8  CA  CYS     5       7.783  -4.808  -1.175          0.034
+ATOM      9  CB  CYS     5       8.803  -4.136  -1.239          0.037
+ATOM     10  CA  ALA     6       7.441  -8.531  -2.065          0.023
+ATOM     11  CB  ALA     6       7.130  -8.588  -2.814          0.038
+ATOM     12  CA  ALA     7       9.921 -11.243  -1.388          0.063
+ATOM     13  CB  ALA     7      10.127 -11.231  -0.719          0.098
+ATOM     14  CA  ALA     8      10.864 -13.973  -3.700          0.028
+ATOM     15  CB  ALA     8      11.267 -13.339  -3.874          0.196
+ATOM     16  CA  ALA     9      12.239 -17.201  -2.296          0.028
+ATOM     17  CB  ALA     9      11.520 -17.388  -2.482          0.044
+ATOM     18  CA  ALA    10      15.879 -18.326  -1.827          0.070
+ATOM     19  CB  ALA    10      15.745 -17.900  -1.255          0.166
+ATOM     20  CA  ALA    11      17.469 -21.511  -3.291          0.065
+ATOM     21  CB  ALA    11      17.820 -21.742  -3.945          0.074
+ATOM     22  CA  ALA    12      19.709 -23.130  -0.658          0.016
+ATOM     23  CB  ALA    12      19.397 -23.541  -0.141          0.072
+ATOM     24  CA  ALA    13      23.565 -23.516  -0.648          0.030
+ATOM     25  CB  ALA    13      23.677 -22.900  -1.093          0.050
+ATOM     26  CA  CYS    14      25.905 -25.595   1.337          0.015
+ATOM     27  CB  CYS    14      26.467 -26.595   0.825          0.002
+ATOM     28  CA  ALA    15      29.574 -24.828   2.397          0.012
+ATOM     29  CB  ALA    15      29.531 -24.408   2.977          0.012
+ATOM     30  CA  ALA    16      33.019 -26.224   1.657          0.020
+ATOM     31  CB  ALA    16      33.591 -25.728   1.430          0.019
+ATOM     32  CA  ALA    17      35.512 -28.520   3.540          0.004
+ATOM     33  CB  ALA    17      35.220 -29.162   3.678          0.053
+ATOM     34  CA  GLY    18      39.238 -28.784   2.836          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  493.13                                       ENERGY    -1.32150E+00
+ATOM      1  CA  GLY     1       4.188   6.367   4.474          0.011
+ATOM      2  CA  ALA     2       6.031   4.153   2.020          0.041
+ATOM      3  CB  ALA     2       6.638   4.190   2.373          0.017
+ATOM      4  CA  ALA     3       4.298   1.274   0.222          0.030
+ATOM      5  CB  ALA     3       3.970   1.259  -0.405          0.191
+ATOM      6  CA  ALA     4       4.947  -2.524   0.522          0.012
+ATOM      7  CB  ALA     4       4.274  -2.769   0.548          0.014
+ATOM      8  CA  CYS     5       7.650  -4.818  -0.773          0.019
+ATOM      9  CB  CYS     5       8.774  -4.205  -0.619          0.018
+ATOM     10  CA  ALA     6       7.638  -8.561  -1.337          0.004
+ATOM     11  CB  ALA     6       7.388  -9.043  -1.878          0.045
+ATOM     12  CA  ALA     7      10.593 -10.862  -1.071          0.051
+ATOM     13  CB  ALA     7      10.661 -10.966  -0.399          0.140
+ATOM     14  CA  ALA     8      10.820 -13.644  -3.598          0.050
+ATOM     15  CB  ALA     8      10.797 -13.031  -3.905          0.112
+ATOM     16  CA  ALA     9      12.249 -17.071  -2.837          0.040
+ATOM     17  CB  ALA     9      12.566 -16.775  -3.457          0.071
+ATOM     18  CA  ALA    10      15.731 -18.284  -1.592          0.061
+ATOM     19  CB  ALA    10      15.904 -17.733  -1.162          0.063
+ATOM     20  CA  ALA    11      17.340 -21.693  -1.947          0.009
+ATOM     21  CB  ALA    11      17.973 -21.649  -2.284          0.027
+ATOM     22  CA  ALA    12      19.935 -23.081   0.437          0.044
+ATOM     23  CB  ALA    12      19.751 -23.383   1.038          0.044
+ATOM     24  CA  ALA    13      23.680 -23.108  -0.462          0.026
+ATOM     25  CB  ALA    13      23.688 -22.341  -0.181          0.013
+ATOM     26  CA  CYS    14      26.449 -25.480   0.482          0.014
+ATOM     27  CB  CYS    14      26.499 -26.317  -0.476          0.027
+ATOM     28  CA  ALA    15      30.021 -25.147   1.813          0.018
+ATOM     29  CB  ALA    15      30.148 -25.054   2.481          0.016
+ATOM     30  CA  ALA    16      33.487 -26.523   1.283          0.009
+ATOM     31  CB  ALA    16      34.003 -26.116   0.909          0.018
+ATOM     32  CA  ALA    17      35.188 -29.133   3.442          0.010
+ATOM     33  CB  ALA    17      35.046 -29.874   3.298          0.015
+ATOM     34  CA  GLY    18      38.869 -29.996   3.698          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  520.02                                       ENERGY     2.68959E+00
+ATOM      1  CA  GLY     1       2.564   6.933   2.695          0.028
+ATOM      2  CA  ALA     2       5.171   4.162   2.734          0.002
+ATOM      3  CB  ALA     2       4.983   4.019   3.480          0.056
+ATOM      4  CA  ALA     3       5.207   1.839  -0.352          0.022
+ATOM      5  CB  ALA     3       5.938   1.735  -0.560          0.032
+ATOM      6  CA  ALA     4       4.786  -1.984  -0.531          0.039
+ATOM      7  CB  ALA     4       4.090  -2.195  -0.447          0.044
+ATOM      8  CA  CYS     5       7.261  -4.758  -1.345          0.016
+ATOM      9  CB  CYS     5       8.277  -4.261  -0.990          0.013
+ATOM     10  CA  ALA     6       6.383  -8.459  -1.677          0.012
+ATOM     11  CB  ALA     6       6.362  -8.805  -2.296          0.036
+ATOM     12  CA  ALA     7       8.350 -11.626  -0.935          0.068
+ATOM     13  CB  ALA     7       7.705 -11.830  -0.999          0.050
+ATOM     14  CA  ALA     8      11.574 -13.209  -2.083          0.016
+ATOM     15  CB  ALA     8      12.180 -13.019  -1.823          0.042
+ATOM     16  CA  ALA     9      12.979 -16.276  -0.594          0.018
+ATOM     17  CB  ALA     9      12.697 -16.948  -0.481          0.180
+ATOM     18  CA  ALA    10      16.239 -18.088  -0.672          0.036
+ATOM     19  CB  ALA    10      16.220 -17.824   0.043          0.204
+ATOM     20  CA  ALA    11      18.168 -21.180  -1.591          0.018
+ATOM     21  CB  ALA    11      18.502 -20.959  -2.242          0.033
+ATOM     22  CA  ALA    12      21.106 -22.894   0.091          0.003
+ATOM     23  CB  ALA    12      20.576 -23.354   0.451          0.020
+ATOM     24  CA  ALA    13      24.714 -22.596  -0.998          0.005
+ATOM     25  CB  ALA    13      24.824 -21.837  -1.083          0.023
+ATOM     26  CA  CYS    14      27.397 -25.293  -0.608          0.047
+ATOM     27  CB  CYS    14      27.373 -26.133  -1.562          0.026
+ATOM     28  CA  ALA    15      30.506 -25.218   1.643          0.065
+ATOM     29  CB  ALA    15      30.319 -25.052   2.333          0.014
+ATOM     30  CA  ALA    16      33.701 -27.200   1.424          0.013
+ATOM     31  CB  ALA    16      34.209 -26.707   1.446          0.011
+ATOM     32  CA  ALA    17      34.364 -30.633   3.007          0.027
+ATOM     33  CB  ALA    17      34.176 -31.012   2.355          0.028
+ATOM     34  CA  GLY    18      37.641 -31.704   4.272          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  544.32                                       ENERGY     1.55088E-02
+ATOM      1  CA  GLY     1       2.941   7.891   1.333          0.014
+ATOM      2  CA  ALA     2       3.267   4.109   1.377          0.005
+ATOM      3  CB  ALA     2       2.792   3.496   1.515          0.097
+ATOM      4  CA  ALA     3       4.555   1.623  -1.152          0.005
+ATOM      5  CB  ALA     3       5.244   1.694  -1.245          0.084
+ATOM      6  CA  ALA     4       4.871  -2.187  -1.025          0.021
+ATOM      7  CB  ALA     4       4.390  -2.678  -1.454          0.055
+ATOM      8  CA  CYS     5       7.753  -4.516  -0.032          0.034
+ATOM      9  CB  CYS     5       7.520  -5.123   1.004          0.037
+ATOM     10  CA  ALA     6       7.461  -8.126  -1.180          0.096
+ATOM     11  CB  ALA     6       7.654  -8.611  -1.843          0.004
+ATOM     12  CA  ALA     7       9.035 -11.238   0.182          0.051
+ATOM     13  CB  ALA     7       8.549 -11.779   0.269          0.072
+ATOM     14  CA  ALA     8      11.907 -13.321  -1.429          0.050
+ATOM     15  CB  ALA     8      12.571 -13.226  -1.143          0.108
+ATOM     16  CA  ALA     9      13.158 -16.958  -1.269          0.059
+ATOM     17  CB  ALA     9      12.879 -17.345  -1.793          0.059
+ATOM     18  CA  ALA    10      16.377 -17.679   0.672          0.024
+ATOM     19  CB  ALA    10      16.232 -17.649   1.373          0.047
+ATOM     20  CA  ALA    11      18.702 -19.940  -1.177          0.005
+ATOM     21  CB  ALA    11      19.205 -19.654  -1.562          0.134
+ATOM     22  CA  ALA    12      21.876 -22.073  -0.633          0.020
+ATOM     23  CB  ALA    12      21.911 -22.773  -0.786          0.076
+ATOM     24  CA  ALA    13      25.621 -21.506  -0.061          0.028
+ATOM     25  CB  ALA    13      25.632 -21.314   0.576          0.010
+ATOM     26  CA  CYS    14      27.793 -24.422  -1.187          0.004
+ATOM     27  CB  CYS    14      28.306 -24.700  -2.363          0.038
+ATOM     28  CA  ALA    15      28.870 -26.953   1.394          0.050
+ATOM     29  CB  ALA    15      28.538 -27.448   1.857          0.021
+ATOM     30  CA  ALA    16      32.310 -28.559   1.048          0.012
+ATOM     31  CB  ALA    16      32.878 -28.185   0.828          0.075
+ATOM     32  CA  ALA    17      34.034 -31.507   2.695          0.006
+ATOM     33  CB  ALA    17      33.861 -32.238   2.719          0.042
+ATOM     34  CA  GLY    18      37.710 -30.706   3.473          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  564.59                                       ENERGY     3.11099E+00
+ATOM      1  CA  GLY     1      -0.009   6.106  -0.742          0.006
+ATOM      2  CA  ALA     2       3.183   4.739   0.740          0.044
+ATOM      3  CB  ALA     2       3.321   4.435   1.408          0.028
+ATOM      4  CA  ALA     3       4.925   1.827  -1.135          0.021
+ATOM      5  CB  ALA     3       5.586   1.834  -1.405          0.043
+ATOM      6  CA  ALA     4       4.593  -1.970  -0.826          0.034
+ATOM      7  CB  ALA     4       4.197  -2.190  -1.464          0.010
+ATOM      8  CA  CYS     5       7.028  -4.820  -0.432          0.012
+ATOM      9  CB  CYS     5       7.146  -4.878   0.821          0.020
+ATOM     10  CA  ALA     6       7.325  -8.645  -0.637          0.020
+ATOM     11  CB  ALA     6       7.547  -8.739  -1.285          0.008
+ATOM     12  CA  ALA     7       9.093 -11.282   1.325          0.037
+ATOM     13  CB  ALA     7       8.536 -11.507   1.656          0.143
+ATOM     14  CA  ALA     8      12.391 -12.551   0.109          0.014
+ATOM     15  CB  ALA     8      13.000 -12.481   0.464          0.032
+ATOM     16  CA  ALA     9      13.227 -15.797  -1.618          0.002
+ATOM     17  CB  ALA     9      13.346 -15.881  -2.349          0.012
+ATOM     18  CA  ALA    10      15.464 -18.546  -0.275          0.029
+ATOM     19  CB  ALA    10      15.341 -18.984  -0.896          0.038
+ATOM     20  CA  ALA    11      19.248 -18.711  -0.412          0.039
+ATOM     21  CB  ALA    11      19.615 -18.564   0.140          0.029
+ATOM     22  CA  ALA    12      21.922 -21.361  -0.923          0.076
+ATOM     23  CB  ALA    12      21.668 -21.812  -1.288          0.131
+ATOM     24  CA  ALA    13      25.601 -21.872  -0.255          0.028
+ATOM     25  CB  ALA    13      25.455 -21.184   0.234          0.062
+ATOM     26  CA  CYS    14      27.811 -24.788  -0.961          0.021
+ATOM     27  CB  CYS    14      27.954 -24.536  -2.155          0.006
+ATOM     28  CA  ALA    15      30.167 -26.975   1.165          0.031
+ATOM     29  CB  ALA    15      29.708 -27.278   1.679          0.174
+ATOM     30  CA  ALA    16      33.556 -28.856   1.160          0.023
+ATOM     31  CB  ALA    16      34.184 -28.509   1.128          0.099
+ATOM     32  CA  ALA    17      34.078 -32.376   2.444          0.010
+ATOM     33  CB  ALA    17      33.649 -32.883   2.266          0.005
+ATOM     34  CA  GLY    18      37.194 -34.268   3.225          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  590.63                                       ENERGY    -2.37410E+00
+ATOM      1  CA  GLY     1       1.217   7.445  -0.753          0.028
+ATOM      2  CA  ALA     2       2.419   3.943   0.216          0.031
+ATOM      3  CB  ALA     2       1.959   3.793   0.759          0.012
+ATOM      4  CA  ALA     3       3.361   0.950  -1.949          0.009
+ATOM      5  CB  ALA     3       4.001   1.303  -2.258          0.061
+ATOM      6  CA  ALA     4       3.766  -2.775  -0.902          0.022
+ATOM      7  CB  ALA     4       3.245  -3.095  -1.202          0.026
+ATOM      8  CA  CYS     5       6.760  -4.560   0.493          0.042
+ATOM      9  CB  CYS     5       6.551  -4.379   1.710          0.028
+ATOM     10  CA  ALA     6       8.975  -7.319  -0.940          0.011
+ATOM     11  CB  ALA     6       9.659  -7.301  -1.108          0.057
+ATOM     12  CA  ALA     7       9.437 -10.979   0.230          0.059
+ATOM     13  CB  ALA     7       9.134 -11.506  -0.205          0.031
+ATOM     14  CA  ALA     8      12.882 -12.245   1.073          0.037
+ATOM     15  CB  ALA     8      12.982 -12.423   1.795          0.053
+ATOM     16  CA  ALA     9      14.428 -15.133  -0.817          0.004
+ATOM     17  CB  ALA     9      14.597 -15.321  -1.440          0.018
+ATOM     18  CA  ALA    10      17.201 -17.538  -0.263          0.003
+ATOM     19  CB  ALA    10      17.175 -18.021   0.348          0.153
+ATOM     20  CA  ALA    11      19.678 -19.453  -2.338          0.024
+ATOM     21  CB  ALA    11      20.051 -18.793  -2.345          0.114
+ATOM     22  CA  ALA    12      21.304 -22.539  -0.863          0.027
+ATOM     23  CB  ALA    12      21.216 -23.173  -1.077          0.002
+ATOM     24  CA  ALA    13      24.861 -22.300   0.468          0.063
+ATOM     25  CB  ALA    13      25.336 -22.083   0.993          0.191
+ATOM     26  CA  CYS    14      27.425 -25.176   0.811          0.048
+ATOM     27  CB  CYS    14      27.337 -25.137  -0.419          0.058
+ATOM     28  CA  ALA    15      30.648 -26.596   2.182          0.026
+ATOM     29  CB  ALA    15      30.643 -26.791   3.011          0.015
+ATOM     30  CA  ALA    16      33.677 -28.622   1.031          0.036
+ATOM     31  CB  ALA    16      33.986 -27.950   1.003          0.018
+ATOM     32  CA  ALA    17      33.226 -32.381   0.811          0.031
+ATOM     33  CB  ALA    17      32.615 -32.472   0.379          0.019
+ATOM     34  CA  GLY    18      36.315 -34.471   0.439          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  615.10                                       ENERGY    -1.01656E+00
+ATOM      1  CA  GLY     1      -0.655   6.130  -1.795          0.002
+ATOM      2  CA  ALA     2       1.004   3.320   0.068          0.031
+ATOM      3  CB  ALA     2       0.556   2.860   0.451          0.035
+ATOM      4  CA  ALA     3       3.685   1.356  -1.835          0.002
+ATOM      5  CB  ALA     3       4.387   1.355  -1.647          0.017
+ATOM      6  CA  ALA     4       3.446  -2.338  -1.071          0.052
+ATOM      7  CB  ALA     4       3.011  -2.599  -1.622          0.066
+ATOM      8  CA  CYS     5       5.967  -4.521   0.803          0.009
+ATOM      9  CB  CYS     5       5.849  -4.532   2.029          0.029
+ATOM     10  CA  ALA     6       8.082  -7.040  -0.945          0.052
+ATOM     11  CB  ALA     6       8.600  -7.181  -1.450          0.260
+ATOM     12  CA  ALA     7      10.794  -9.335   0.585          0.007
+ATOM     13  CB  ALA     7      10.744  -9.788   1.223          0.068
+ATOM     14  CA  ALA     8      13.969 -10.888  -0.696          0.010
+ATOM     15  CB  ALA     8      14.345 -10.232  -0.455          0.154
+ATOM     16  CA  ALA     9      15.405 -14.247  -1.535          0.076
+ATOM     17  CB  ALA     9      15.107 -14.216  -2.273          0.040
+ATOM     18  CA  ALA    10      18.498 -15.928   0.018          0.041
+ATOM     19  CB  ALA    10      18.393 -16.214   0.640          0.015
+ATOM     20  CA  ALA    11      20.157 -19.173  -1.141          0.024
+ATOM     21  CB  ALA    11      20.730 -19.191  -1.734          0.036
+ATOM     22  CA  ALA    12      21.369 -22.190   0.587          0.020
+ATOM     23  CB  ALA    12      21.307 -22.922   0.603          0.119
+ATOM     24  CA  ALA    13      24.779 -23.883   1.132          0.007
+ATOM     25  CB  ALA    13      25.163 -23.807   1.689          0.020
+ATOM     26  CA  CYS    14      26.529 -27.240   1.523          0.014
+ATOM     27  CB  CYS    14      26.422 -27.837   0.416          0.029
+ATOM     28  CA  ALA    15      30.061 -27.965   2.583          0.057
+ATOM     29  CB  ALA    15      29.782 -28.213   3.272          0.082
+ATOM     30  CA  ALA    16      32.720 -28.721   0.024          0.005
+ATOM     31  CB  ALA    16      33.099 -28.311  -0.489          0.037
+ATOM     32  CA  ALA    17      34.320 -32.167   0.052          0.037
+ATOM     33  CB  ALA    17      33.946 -32.598  -0.456          0.092
+ATOM     34  CA  GLY    18      37.952 -32.740  -0.829          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  639.74                                       ENERGY    -5.91943E-01
+ATOM      1  CA  GLY     1      -3.439   4.580  -2.374          0.069
+ATOM      2  CA  ALA     2      -0.783   2.433  -0.694          0.036
+ATOM      3  CB  ALA     2      -0.669   1.851  -0.334          0.036
+ATOM      4  CA  ALA     3       2.511   0.744  -1.205          0.007
+ATOM      5  CB  ALA     3       2.938   1.302  -1.259          0.121
+ATOM      6  CA  ALA     4       3.814  -2.604  -0.192          0.005
+ATOM      7  CB  ALA     4       3.453  -3.289  -0.469          0.022
+ATOM      8  CA  CYS     5       7.357  -3.845   0.544          0.002
+ATOM      9  CB  CYS     5       7.619  -3.326   1.631          0.001
+ATOM     10  CA  ALA     6       9.432  -6.349  -1.467          0.031
+ATOM     11  CB  ALA     6       9.513  -6.277  -2.197          0.033
+ATOM     12  CA  ALA     7      12.373  -8.254  -0.009          0.028
+ATOM     13  CB  ALA     7      12.037  -8.586   0.617          0.397
+ATOM     14  CA  ALA     8      15.027 -10.583  -1.336          0.031
+ATOM     15  CB  ALA     8      15.658 -10.289  -1.106          0.031
+ATOM     16  CA  ALA     9      15.229 -14.446  -1.101          0.035
+ATOM     17  CB  ALA     9      15.179 -14.886  -1.692          0.041
+ATOM     18  CA  ALA    10      18.267 -15.846   0.935          0.011
+ATOM     19  CB  ALA    10      17.886 -16.017   1.566          0.028
+ATOM     20  CA  ALA    11      20.635 -18.689   0.121          0.004
+ATOM     21  CB  ALA    11      21.273 -18.615  -0.173          0.021
+ATOM     22  CA  ALA    12      21.606 -21.728   2.183          0.008
+ATOM     23  CB  ALA    12      21.396 -22.280   2.657          0.049
+ATOM     24  CA  ALA    13      24.529 -24.064   1.505          0.008
+ATOM     25  CB  ALA    13      24.726 -24.122   2.125          0.046
+ATOM     26  CA  CYS    14      25.469 -27.473   0.196          0.019
+ATOM     27  CB  CYS    14      25.958 -27.521  -0.909          0.032
+ATOM     28  CA  ALA    15      28.627 -29.312   1.508          0.012
+ATOM     29  CB  ALA    15      28.829 -29.992   1.790          0.110
+ATOM     30  CA  ALA    16      31.933 -29.760  -0.354          0.022
+ATOM     31  CB  ALA    16      32.274 -29.199  -0.687          0.086
+ATOM     32  CA  ALA    17      34.784 -32.197  -0.550          0.010
+ATOM     33  CB  ALA    17      35.222 -32.758  -0.498          0.059
+ATOM     34  CA  GLY    18      38.106 -30.835   0.656          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  665.01                                       ENERGY     7.41746E+00
+ATOM      1  CA  GLY     1      -4.320  -0.229  -2.191          0.008
+ATOM      2  CA  ALA     2      -1.239   1.287  -0.496          0.020
+ATOM      3  CB  ALA     2      -1.556   1.624   0.128          0.009
+ATOM      4  CA  ALA     3       2.433   0.524  -1.363          0.007
+ATOM      5  CB  ALA     3       3.025   0.719  -1.801          0.048
+ATOM      6  CA  ALA     4       4.638  -2.333  -0.123          0.028
+ATOM      7  CB  ALA     4       4.043  -2.817  -0.125          0.035
+ATOM      8  CA  CYS     5       8.192  -3.261  -1.059          0.012
+ATOM      9  CB  CYS     5       9.153  -2.749  -0.440          0.001
+ATOM     10  CA  ALA     6       9.747  -6.734  -0.429          0.016
+ATOM     11  CB  ALA     6       9.710  -7.067  -0.962          0.006
+ATOM     12  CA  ALA     7      12.993  -7.525   1.250          0.101
+ATOM     13  CB  ALA     7      12.777  -7.620   1.965          0.105
+ATOM     14  CA  ALA     8      15.330  -9.945  -0.689          0.048
+ATOM     15  CB  ALA     8      16.015  -9.950  -0.880          0.180
+ATOM     16  CA  ALA     9      15.291 -13.562  -0.344          0.024
+ATOM     17  CB  ALA     9      14.974 -13.940  -0.872          0.203
+ATOM     18  CA  ALA    10      18.229 -15.734   0.804          0.048
+ATOM     19  CB  ALA    10      18.596 -15.880   1.523          0.025
+ATOM     20  CA  ALA    11      19.951 -19.015  -0.085          0.007
+ATOM     21  CB  ALA    11      20.619 -19.085  -0.168          0.020
+ATOM     22  CA  ALA    12      20.452 -22.533   1.369          0.007
+ATOM     23  CB  ALA    12      20.057 -23.098   1.111          0.089
+ATOM     24  CA  ALA    13      24.132 -23.646   1.923          0.038
+ATOM     25  CB  ALA    13      24.577 -23.742   2.463          0.042
+ATOM     26  CA  CYS    14      26.090 -26.285   0.008          0.023
+ATOM     27  CB  CYS    14      26.559 -25.735  -1.001          0.003
+ATOM     28  CA  ALA    15      28.424 -28.952   1.114          0.016
+ATOM     29  CB  ALA    15      28.150 -29.584   1.110          0.025
+ATOM     30  CA  ALA    16      32.225 -29.197   0.208          0.030
+ATOM     31  CB  ALA    16      32.803 -28.985   0.742          0.057
+ATOM     32  CA  ALA    17      33.914 -32.411  -0.815          0.018
+ATOM     33  CB  ALA    17      34.267 -32.292  -1.489          0.015
+ATOM     34  CA  GLY    18      36.759 -34.298   0.730          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  690.11                                       ENERGY     3.20546E+00
+ATOM      1  CA  GLY     1      -4.235   2.563  -1.022          0.008
+ATOM      2  CA  ALA     2      -0.619   1.404  -0.359          0.023
+ATOM      3  CB  ALA     2      -0.229   1.505   0.188          0.017
+ATOM      4  CA  ALA     3       1.070  -1.520  -1.845          0.040
+ATOM      5  CB  ALA     3       1.097  -1.326  -2.502          0.040
+ATOM      6  CA  ALA     4       4.221  -3.293  -0.522          0.031
+ATOM      7  CB  ALA     4       4.046  -3.887  -0.126          0.031
+ATOM      8  CA  CYS     5       7.909  -3.001  -1.080          0.014
+ATOM      9  CB  CYS     5       8.209  -2.330  -0.051          0.002
+ATOM     10  CA  ALA     6      10.274  -5.825  -2.108          0.040
+ATOM     11  CB  ALA     6      10.593  -5.649  -2.750          0.056
+ATOM     12  CA  ALA     7      12.263  -7.418   0.836          0.047
+ATOM     13  CB  ALA     7      11.890  -8.095   1.001          0.056
+ATOM     14  CA  ALA     8      15.398  -9.515   0.848          0.005
+ATOM     15  CB  ALA     8      16.184  -9.475   0.721          0.035
+ATOM     16  CA  ALA     9      16.064 -13.185   0.588          0.020
+ATOM     17  CB  ALA     9      15.517 -13.316   0.057          0.069
+ATOM     18  CA  ALA    10      18.713 -15.694   1.472          0.030
+ATOM     19  CB  ALA    10      18.643 -16.055   2.065          0.080
+ATOM     20  CA  ALA    11      20.562 -18.260  -0.398          0.017
+ATOM     21  CB  ALA    11      21.234 -18.429  -0.543          0.079
+ATOM     22  CA  ALA    12      20.996 -21.983   0.081          0.030
+ATOM     23  CB  ALA    12      20.816 -22.693  -0.112          0.089
+ATOM     24  CA  ALA    13      24.069 -23.756   1.430          0.013
+ATOM     25  CB  ALA    13      23.846 -23.746   2.167          0.116
+ATOM     26  CA  CYS    14      26.446 -26.488   0.402          0.013
+ATOM     27  CB  CYS    14      27.135 -25.455   0.103          0.007
+ATOM     28  CA  ALA    15      28.653 -29.276   1.776          0.035
+ATOM     29  CB  ALA    15      28.221 -29.918   1.791          0.048
+ATOM     30  CA  ALA    16      32.223 -30.244   0.776          0.007
+ATOM     31  CB  ALA    16      32.688 -30.439   1.418          0.073
+ATOM     32  CA  ALA    17      33.364 -32.961  -1.614          0.012
+ATOM     33  CB  ALA    17      32.970 -32.488  -2.039          0.046
+ATOM     34  CA  GLY    18      36.736 -34.394  -0.610          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  713.68                                       ENERGY    -2.46707E+00
+ATOM      1  CA  GLY     1      -2.863   3.964   0.424          0.021
+ATOM      2  CA  ALA     2       0.246   1.740   0.141          0.013
+ATOM      3  CB  ALA     2       0.533   1.316   0.739          0.003
+ATOM      4  CA  ALA     3       1.091  -0.884  -2.400          0.002
+ATOM      5  CB  ALA     3       1.391  -0.419  -2.882          0.031
+ATOM      6  CA  ALA     4       3.328  -3.804  -1.427          0.017
+ATOM      7  CB  ALA     4       2.877  -4.438  -1.582          0.148
+ATOM      8  CA  CYS     5       7.097  -4.314  -1.817          0.026
+ATOM      9  CB  CYS     5       7.603  -3.557  -0.980          0.013
+ATOM     10  CA  ALA     6       9.060  -7.419  -1.339          0.032
+ATOM     11  CB  ALA     6       9.538  -7.890  -1.634          0.157
+ATOM     12  CA  ALA     7      11.884  -8.524   1.023          0.002
+ATOM     13  CB  ALA     7      11.746  -8.765   1.732          0.016
+ATOM     14  CA  ALA     8      15.420  -9.333   0.000          0.024
+ATOM     15  CB  ALA     8      15.865  -8.811   0.203          0.032
+ATOM     16  CA  ALA     9      16.541 -13.001   0.014          0.011
+ATOM     17  CB  ALA     9      16.679 -13.325  -0.595          0.068
+ATOM     18  CA  ALA    10      18.612 -15.225   2.301          0.058
+ATOM     19  CB  ALA    10      18.253 -15.571   2.686          0.242
+ATOM     20  CA  ALA    11      21.827 -16.926   1.309          0.033
+ATOM     21  CB  ALA    11      21.965 -16.826   2.025          0.023
+ATOM     22  CA  ALA    12      22.348 -20.639   0.397          0.039
+ATOM     23  CB  ALA    12      22.248 -20.763  -0.300          0.011
+ATOM     24  CA  ALA    13      25.145 -22.815   1.598          0.015
+ATOM     25  CB  ALA    13      25.455 -23.171   2.177          0.079
+ATOM     26  CA  CYS    14      26.338 -26.107   0.039          0.014
+ATOM     27  CB  CYS    14      27.014 -25.630  -0.894          0.034
+ATOM     28  CA  ALA    15      28.041 -29.386   1.282          0.025
+ATOM     29  CB  ALA    15      27.358 -29.745   1.453          0.051
+ATOM     30  CA  ALA    16      31.600 -30.571   0.952          0.036
+ATOM     31  CB  ALA    16      31.620 -30.760   1.588          0.028
+ATOM     32  CA  ALA    17      33.549 -32.750  -1.616          0.032
+ATOM     33  CB  ALA    17      34.261 -32.724  -1.983          0.064
+ATOM     34  CA  GLY    18      34.149 -36.416  -0.872          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  739.66                                       ENERGY     2.22282E+00
+ATOM      1  CA  GLY     1      -2.786   4.069  -0.154          0.033
+ATOM      2  CA  ALA     2       0.266   1.901   0.153          0.004
+ATOM      3  CB  ALA     2       0.178   2.221   0.741          0.068
+ATOM      4  CA  ALA     3       2.311  -0.368  -2.161          0.023
+ATOM      5  CB  ALA     3       2.728  -0.044  -2.683          0.039
+ATOM      6  CA  ALA     4       3.853  -3.790  -1.490          0.051
+ATOM      7  CB  ALA     4       3.328  -4.327  -1.775          0.068
+ATOM      8  CA  CYS     5       7.415  -4.677  -0.560          0.024
+ATOM      9  CB  CYS     5       7.441  -4.898   0.698          0.038
+ATOM     10  CA  ALA     6       8.794  -7.777  -2.229          0.000
+ATOM     11  CB  ALA     6       9.142  -7.970  -2.863          0.149
+ATOM     12  CA  ALA     7      10.876 -10.466  -0.564          0.010
+ATOM     13  CB  ALA     7      10.350 -11.089  -0.594          0.025
+ATOM     14  CA  ALA     8      14.500 -10.099   0.170          0.017
+ATOM     15  CB  ALA     8      15.231 -10.095   0.452          0.045
+ATOM     16  CA  ALA     9      16.410 -13.429   0.160          0.041
+ATOM     17  CB  ALA     9      16.090 -13.431  -0.468          0.257
+ATOM     18  CA  ALA    10      19.511 -14.442   2.015          0.044
+ATOM     19  CB  ALA    10      19.221 -14.554   2.674          0.081
+ATOM     20  CA  ALA    11      22.534 -16.541   1.065          0.038
+ATOM     21  CB  ALA    11      23.151 -16.274   1.379          0.012
+ATOM     22  CA  ALA    12      22.378 -20.354   1.542          0.010
+ATOM     23  CB  ALA    12      22.044 -20.951   1.327          0.054
+ATOM     24  CA  ALA    13      24.915 -23.040   2.491          0.019
+ATOM     25  CB  ALA    13      24.555 -23.337   3.131          0.008
+ATOM     26  CA  CYS    14      27.673 -24.386   0.239          0.017
+ATOM     27  CB  CYS    14      28.555 -23.460   0.349          0.039
+ATOM     28  CA  ALA    15      28.431 -28.123  -0.042          0.021
+ATOM     29  CB  ALA    15      27.917 -28.669  -0.080          0.083
+ATOM     30  CA  ALA    16      30.826 -30.673  -1.325          0.028
+ATOM     31  CB  ALA    16      31.386 -30.214  -1.509          0.114
+ATOM     32  CA  ALA    17      31.505 -34.346  -0.770          0.005
+ATOM     33  CB  ALA    17      31.026 -34.649  -1.198          0.019
+ATOM     34  CA  GLY    18      34.411 -35.929   0.999          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  765.95                                       ENERGY    -3.52124E-01
+ATOM      1  CA  GLY     1      -3.101   4.338  -0.704          0.002
+ATOM      2  CA  ALA     2      -0.237   2.155   0.751          0.024
+ATOM      3  CB  ALA     2      -0.543   1.510   0.781          0.093
+ATOM      4  CA  ALA     3       2.944   1.057  -0.845          0.005
+ATOM      5  CB  ALA     3       3.537   1.523  -0.707          0.069
+ATOM      6  CA  ALA     4       3.977  -2.293  -2.373          0.037
+ATOM      7  CB  ALA     4       3.948  -2.397  -3.193          0.016
+ATOM      8  CA  CYS     5       6.379  -4.983  -0.992          0.082
+ATOM      9  CB  CYS     5       6.073  -5.071   0.153          0.029
+ATOM     10  CA  ALA     6       8.574  -7.486  -2.971          0.051
+ATOM     11  CB  ALA     6       9.093  -7.082  -3.389          0.156
+ATOM     12  CA  ALA     7       9.711 -10.387  -0.699          0.004
+ATOM     13  CB  ALA     7       9.530 -11.047  -0.415          0.099
+ATOM     14  CA  ALA     8      13.407 -11.506  -0.455          0.048
+ATOM     15  CB  ALA     8      13.505 -10.810  -0.169          0.061
+ATOM     16  CA  ALA     9      15.543 -14.550   0.336          0.033
+ATOM     17  CB  ALA     9      15.810 -15.070  -0.149          0.038
+ATOM     18  CA  ALA    10      18.925 -15.400   2.023          0.039
+ATOM     19  CB  ALA    10      18.566 -15.664   2.550          0.129
+ATOM     20  CA  ALA    11      21.994 -17.289   1.070          0.045
+ATOM     21  CB  ALA    11      22.635 -17.125   0.729          0.059
+ATOM     22  CA  ALA    12      24.504 -19.629   2.818          0.012
+ATOM     23  CB  ALA    12      23.948 -20.023   3.083          0.002
+ATOM     24  CA  ALA    13      27.827 -21.291   2.069          0.016
+ATOM     25  CB  ALA    13      28.243 -20.910   2.538          0.085
+ATOM     26  CA  CYS    14      28.697 -24.621   0.273          0.030
+ATOM     27  CB  CYS    14      28.589 -24.878  -0.887          0.005
+ATOM     28  CA  ALA    15      29.639 -28.007   1.782          0.059
+ATOM     29  CB  ALA    15      29.109 -28.509   1.982          0.019
+ATOM     30  CA  ALA    16      31.548 -31.155   0.738          0.005
+ATOM     31  CB  ALA    16      31.949 -31.085   1.407          0.004
+ATOM     32  CA  ALA    17      31.120 -33.848  -1.939          0.018
+ATOM     33  CB  ALA    17      31.152 -33.567  -2.601          0.035
+ATOM     34  CA  GLY    18      30.828 -37.695  -2.077          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  792.97                                       ENERGY     1.58880E+01
+ATOM      1  CA  GLY     1      -0.127   4.746   0.462          0.062
+ATOM      2  CA  ALA     2      -1.219   1.269  -0.487          0.008
+ATOM      3  CB  ALA     2      -1.625   0.917  -0.920          0.004
+ATOM      4  CA  ALA     3       2.365   0.318  -1.476          0.019
+ATOM      5  CB  ALA     3       2.849   0.307  -0.863          0.073
+ATOM      6  CA  ALA     4       4.312  -2.778  -2.547          0.009
+ATOM      7  CB  ALA     4       4.424  -2.483  -3.145          0.039
+ATOM      8  CA  CYS     5       6.633  -5.461  -0.931          0.041
+ATOM      9  CB  CYS     5       6.172  -5.581   0.220          0.003
+ATOM     10  CA  ALA     6       9.858  -7.313  -1.288          0.050
+ATOM     11  CB  ALA     6      10.467  -7.473  -1.624          0.032
+ATOM     12  CA  ALA     7      11.596  -9.074   1.672          0.010
+ATOM     13  CB  ALA     7      11.662  -9.652   2.259          0.077
+ATOM     14  CA  ALA     8      14.740 -10.964   0.561          0.036
+ATOM     15  CB  ALA     8      15.225 -10.714   1.122          0.045
+ATOM     16  CA  ALA     9      15.850 -14.489  -0.119          0.021
+ATOM     17  CB  ALA     9      15.584 -14.651  -0.831          0.050
+ATOM     18  CA  ALA    10      19.376 -15.727  -0.011          0.007
+ATOM     19  CB  ALA    10      19.923 -16.103   0.308          0.033
+ATOM     20  CA  ALA    11      20.392 -19.183  -1.324          0.037
+ATOM     21  CB  ALA    11      20.848 -19.182  -1.867          0.055
+ATOM     22  CA  ALA    12      22.183 -21.140   1.332          0.025
+ATOM     23  CB  ALA    12      21.865 -21.763   1.412          0.119
+ATOM     24  CA  ALA    13      25.724 -21.389   2.693          0.007
+ATOM     25  CB  ALA    13      25.510 -21.252   3.461          0.005
+ATOM     26  CA  CYS    14      28.045 -24.025   1.054          0.001
+ATOM     27  CB  CYS    14      28.794 -23.871   0.050          0.001
+ATOM     28  CA  ALA    15      29.868 -27.310   1.800          0.019
+ATOM     29  CB  ALA    15      29.297 -27.692   2.208          0.054
+ATOM     30  CA  ALA    16      31.860 -29.606  -0.522          0.015
+ATOM     31  CB  ALA    16      32.517 -29.790  -0.800          0.068
+ATOM     32  CA  ALA    17      30.589 -33.180   0.108          0.029
+ATOM     33  CB  ALA    17      29.935 -32.943  -0.288          0.070
+ATOM     34  CA  GLY    18      31.811 -36.186  -2.022          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  816.39                                       ENERGY    -5.18847E+00
+ATOM      1  CA  GLY     1      -3.377   1.719  -4.482          0.020
+ATOM      2  CA  ALA     2      -1.041   2.311  -1.529          0.007
+ATOM      3  CB  ALA     2      -0.892   2.401  -0.847          0.059
+ATOM      4  CA  ALA     3       2.384   0.802  -1.004          0.051
+ATOM      5  CB  ALA     3       2.575   1.004  -0.261          0.129
+ATOM      6  CA  ALA     4       3.456  -2.821  -0.323          0.039
+ATOM      7  CB  ALA     4       3.230  -3.149  -0.980          0.025
+ATOM      8  CA  CYS     5       6.700  -3.904   1.141          0.012
+ATOM      9  CB  CYS     5       6.580  -3.832   2.337          0.024
+ATOM     10  CA  ALA     6       9.638  -5.575  -0.599          0.036
+ATOM     11  CB  ALA     6      10.251  -5.491  -0.991          0.083
+ATOM     12  CA  ALA     7      11.213  -8.816   0.420          0.029
+ATOM     13  CB  ALA     7      10.822  -9.288   0.854          0.021
+ATOM     14  CA  ALA     8      14.514 -10.108  -0.922          0.015
+ATOM     15  CB  ALA     8      15.271 -10.003  -0.770          0.057
+ATOM     16  CA  ALA     9      15.751 -13.653  -0.554          0.002
+ATOM     17  CB  ALA     9      15.418 -13.969  -1.134          0.072
+ATOM     18  CA  ALA    10      18.983 -15.034   0.789          0.007
+ATOM     19  CB  ALA    10      18.563 -15.247   1.422          0.115
+ATOM     20  CA  ALA    11      21.532 -17.765  -0.156          0.025
+ATOM     21  CB  ALA    11      21.906 -17.145  -0.198          0.156
+ATOM     22  CA  ALA    12      21.925 -21.374   0.967          0.014
+ATOM     23  CB  ALA    12      21.600 -21.979   0.660          0.011
+ATOM     24  CA  ALA    13      25.298 -23.296   1.217          0.018
+ATOM     25  CB  ALA    13      25.785 -23.102   1.764          0.035
+ATOM     26  CA  CYS    14      27.133 -26.251  -0.352          0.051
+ATOM     27  CB  CYS    14      27.639 -26.076  -1.504          0.063
+ATOM     28  CA  ALA    15      28.601 -28.972   1.832          0.042
+ATOM     29  CB  ALA    15      28.227 -29.667   1.802          0.043
+ATOM     30  CA  ALA    16      31.946 -30.782   1.098          0.031
+ATOM     31  CB  ALA    16      32.524 -30.526   1.561          0.117
+ATOM     32  CA  ALA    17      33.602 -33.609  -0.746          0.024
+ATOM     33  CB  ALA    17      33.840 -33.755  -1.453          0.113
+ATOM     34  CA  GLY    18      36.446 -35.875   0.272          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  841.01                                       ENERGY    -6.83707E+00
+ATOM      1  CA  GLY     1      -2.838   2.804  -3.811          0.011
+ATOM      2  CA  ALA     2      -0.480   1.454  -1.193          0.005
+ATOM      3  CB  ALA     2      -0.582   1.550  -0.470          0.074
+ATOM      4  CA  ALA     3       2.513  -0.671  -2.327          0.044
+ATOM      5  CB  ALA     3       2.524  -0.315  -3.011          0.044
+ATOM      6  CA  ALA     4       4.366  -2.921   0.144          0.032
+ATOM      7  CB  ALA     4       3.710  -3.265   0.332          0.057
+ATOM      8  CA  CYS     5       8.007  -3.980   0.257          0.015
+ATOM      9  CB  CYS     5       8.710  -3.164   0.962          0.041
+ATOM     10  CA  ALA     6       9.128  -7.615   0.030          0.002
+ATOM     11  CB  ALA     6       9.341  -7.897  -0.607          0.101
+ATOM     12  CA  ALA     7      11.746  -9.070   2.346          0.030
+ATOM     13  CB  ALA     7      11.417  -9.359   2.948          0.105
+ATOM     14  CA  ALA     8      15.152  -9.659   0.875          0.069
+ATOM     15  CB  ALA     8      15.239  -8.994   1.326          0.121
+ATOM     16  CA  ALA     9      15.949 -13.162  -0.641          0.036
+ATOM     17  CB  ALA     9      16.002 -13.130  -1.364          0.012
+ATOM     18  CA  ALA    10      18.683 -15.336   0.810          0.012
+ATOM     19  CB  ALA    10      18.279 -15.693   1.242          0.027
+ATOM     20  CA  ALA    11      20.992 -17.958  -0.601          0.038
+ATOM     21  CB  ALA    11      21.728 -17.871  -0.705          0.103
+ATOM     22  CA  ALA    12      21.160 -21.726  -0.606          0.012
+ATOM     23  CB  ALA    12      21.231 -21.644  -1.290          0.092
+ATOM     24  CA  ALA    13      23.868 -23.865   0.875          0.033
+ATOM     25  CB  ALA    13      23.554 -24.198   1.486          0.041
+ATOM     26  CA  CYS    14      26.449 -25.972  -0.964          0.024
+ATOM     27  CB  CYS    14      27.376 -25.217  -1.054          0.023
+ATOM     28  CA  ALA    15      27.721 -29.128   0.704          0.020
+ATOM     29  CB  ALA    15      27.632 -29.831   0.536          0.162
+ATOM     30  CA  ALA    16      31.530 -29.683   1.042          0.002
+ATOM     31  CB  ALA    16      31.455 -29.399   1.719          0.063
+ATOM     32  CA  ALA    17      33.678 -32.616  -0.010          0.021
+ATOM     33  CB  ALA    17      34.022 -32.931  -0.482          0.046
+ATOM     34  CA  GLY    18      37.042 -33.374   1.609          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  868.18                                       ENERGY     3.25527E+00
+ATOM      1  CA  GLY     1      -1.794   2.777  -0.881          0.006
+ATOM      2  CA  ALA     2       1.611   1.577  -1.703          0.024
+ATOM      3  CB  ALA     2       2.218   1.807  -1.390          0.160
+ATOM      4  CA  ALA     3       2.751  -2.022  -2.169          0.032
+ATOM      5  CB  ALA     3       2.350  -2.049  -2.883          0.013
+ATOM      6  CA  ALA     4       5.528  -3.955  -0.500          0.008
+ATOM      7  CB  ALA     4       5.366  -4.149   0.133          0.025
+ATOM      8  CA  CYS     5       8.695  -5.839  -1.684          0.021
+ATOM      9  CB  CYS     5       9.565  -4.913  -1.795          0.027
+ATOM     10  CA  ALA     6       9.817  -8.291   0.965          0.020
+ATOM     11  CB  ALA     6      10.047  -8.944   0.776          0.065
+ATOM     12  CA  ALA     7      12.455  -8.600   3.759          0.010
+ATOM     13  CB  ALA     7      12.323  -8.631   4.497          0.103
+ATOM     14  CA  ALA     8      15.128 -10.045   1.412          0.003
+ATOM     15  CB  ALA     8      15.170  -9.361   1.412          0.097
+ATOM     16  CA  ALA     9      15.760 -13.856   1.293          0.050
+ATOM     17  CB  ALA     9      15.355 -14.178   0.666          0.072
+ATOM     18  CA  ALA    10      18.849 -15.911   1.785          0.019
+ATOM     19  CB  ALA    10      19.003 -16.164   2.513          0.016
+ATOM     20  CA  ALA    11      20.414 -17.632  -1.258          0.005
+ATOM     21  CB  ALA    11      21.120 -17.528  -1.185          0.082
+ATOM     22  CA  ALA    12      19.691 -21.331  -1.902          0.044
+ATOM     23  CB  ALA    12      19.591 -21.560  -2.533          0.112
+ATOM     24  CA  ALA    13      22.068 -23.817  -0.335          0.031
+ATOM     25  CB  ALA    13      21.717 -24.157   0.185          0.040
+ATOM     26  CA  CYS    14      25.305 -25.561  -1.214          0.008
+ATOM     27  CB  CYS    14      25.936 -24.465  -1.260          0.023
+ATOM     28  CA  ALA    15      27.566 -28.251   0.201          0.047
+ATOM     29  CB  ALA    15      27.223 -28.899  -0.034          0.062
+ATOM     30  CA  ALA    16      31.333 -28.051   0.738          0.007
+ATOM     31  CB  ALA    16      31.957 -27.969   1.143          0.099
+ATOM     32  CA  ALA    17      33.875 -30.807   0.281          0.012
+ATOM     33  CB  ALA    17      34.220 -30.764  -0.350          0.077
+ATOM     34  CA  GLY    18      34.840 -31.450   3.880          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  893.01                                       ENERGY     4.31714E+00
+ATOM      1  CA  GLY     1      -0.730   3.427  -3.558          0.011
+ATOM      2  CA  ALA     2       2.299   1.539  -2.348          0.008
+ATOM      3  CB  ALA     2       2.876   1.636  -1.897          0.033
+ATOM      4  CA  ALA     3       1.642  -2.223  -2.038          0.005
+ATOM      5  CB  ALA     3       1.325  -2.424  -2.704          0.057
+ATOM      6  CA  ALA     4       4.455  -2.565   0.538          0.023
+ATOM      7  CB  ALA     4       4.251  -3.062   1.073          0.100
+ATOM      8  CA  CYS     5       7.896  -3.914  -0.210          0.043
+ATOM      9  CB  CYS     5       8.509  -3.105  -0.706          0.068
+ATOM     10  CA  ALA     6       9.396  -7.038   1.209          0.022
+ATOM     11  CB  ALA     6       9.477  -7.794   0.956          0.038
+ATOM     12  CA  ALA     7      12.808  -8.065   2.616          0.046
+ATOM     13  CB  ALA     7      13.149  -7.921   3.286          0.030
+ATOM     14  CA  ALA     8      15.474 -10.330   1.191          0.069
+ATOM     15  CB  ALA     8      15.645  -9.594   0.916          0.105
+ATOM     16  CA  ALA     9      15.031 -14.066   2.081          0.017
+ATOM     17  CB  ALA     9      14.499 -14.415   1.770          0.093
+ATOM     18  CA  ALA    10      17.638 -16.847   2.330          0.017
+ATOM     19  CB  ALA    10      17.755 -17.224   2.893          0.010
+ATOM     20  CA  ALA    11      19.273 -19.111  -0.291          0.027
+ATOM     21  CB  ALA    11      19.542 -18.447  -0.630          0.110
+ATOM     22  CA  ALA    12      20.780 -22.623  -0.421          0.016
+ATOM     23  CB  ALA    12      20.333 -23.194  -0.685          0.179
+ATOM     24  CA  ALA    13      24.242 -23.430  -1.724          0.002
+ATOM     25  CB  ALA    13      24.107 -22.937  -1.220          0.018
+ATOM     26  CA  CYS    14      26.109 -26.515  -2.828          0.030
+ATOM     27  CB  CYS    14      26.759 -26.202  -3.811          0.009
+ATOM     28  CA  ALA    15      27.528 -29.243  -0.581          0.016
+ATOM     29  CB  ALA    15      27.676 -29.903  -0.837          0.025
+ATOM     30  CA  ALA    16      30.657 -28.913   1.604          0.016
+ATOM     31  CB  ALA    16      30.426 -28.715   2.291          0.071
+ATOM     32  CA  ALA    17      34.324 -29.862   1.106          0.024
+ATOM     33  CB  ALA    17      34.869 -29.869   0.591          0.057
+ATOM     34  CA  GLY    18      37.096 -30.194   3.635          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  918.18                                       ENERGY     2.88870E+00
+ATOM      1  CA  GLY     1      -2.001   1.749  -4.795          0.012
+ATOM      2  CA  ALA     2       1.186   2.672  -2.896          0.044
+ATOM      3  CB  ALA     2       1.276   2.877  -2.267          0.053
+ATOM      4  CA  ALA     3       4.158   0.246  -2.559          0.004
+ATOM      5  CB  ALA     3       4.775  -0.155  -2.671          0.086
+ATOM      6  CA  ALA     4       4.887  -1.420   0.715          0.020
+ATOM      7  CB  ALA     4       4.409  -1.963   0.710          0.134
+ATOM      8  CA  CYS     5       8.025  -3.430   1.544          0.030
+ATOM      9  CB  CYS     5       8.906  -2.784   0.862          0.015
+ATOM     10  CA  ALA     6       7.922  -7.230   1.956          0.046
+ATOM     11  CB  ALA     6       7.452  -7.424   1.398          0.070
+ATOM     12  CA  ALA     7      11.017  -9.459   2.589          0.041
+ATOM     13  CB  ALA     7      10.669  -9.236   3.234          0.146
+ATOM     14  CA  ALA     8      13.024 -11.791   0.456          0.003
+ATOM     15  CB  ALA     8      13.155 -12.179  -0.192          0.062
+ATOM     16  CA  ALA     9      15.754 -14.000   1.877          0.003
+ATOM     17  CB  ALA     9      15.533 -14.000   2.651          0.002
+ATOM     18  CA  ALA    10      18.032 -15.809  -0.524          0.003
+ATOM     19  CB  ALA    10      18.790 -15.906  -0.629          0.050
+ATOM     20  CA  ALA    11      18.161 -19.651  -0.961          0.013
+ATOM     21  CB  ALA    11      17.939 -19.818  -1.670          0.180
+ATOM     22  CA  ALA    12      20.447 -22.340   0.422          0.006
+ATOM     23  CB  ALA    12      19.799 -22.719   0.722          0.070
+ATOM     24  CA  ALA    13      23.885 -23.652  -0.481          0.019
+ATOM     25  CB  ALA    13      24.080 -22.963  -0.440          0.027
+ATOM     26  CA  CYS    14      26.081 -26.767  -0.873          0.024
+ATOM     27  CB  CYS    14      26.388 -27.277  -2.054          0.045
+ATOM     28  CA  ALA    15      29.473 -27.591   0.567          0.014
+ATOM     29  CB  ALA    15      29.497 -27.670   1.328          0.048
+ATOM     30  CA  ALA    16      32.848 -28.996  -0.645          0.010
+ATOM     31  CB  ALA    16      33.597 -28.804  -0.573          0.046
+ATOM     32  CA  ALA    17      35.101 -31.810   0.536          0.048
+ATOM     33  CB  ALA    17      35.209 -32.163  -0.127          0.021
+ATOM     34  CA  GLY    18      37.587 -31.271   3.376          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  945.22                                       ENERGY    -1.80944E+00
+ATOM      1  CA  GLY     1      -0.679   5.089  -5.127          0.014
+ATOM      2  CA  ALA     2       1.243   3.307  -2.304          0.048
+ATOM      3  CB  ALA     2       1.075   3.502  -1.653          0.019
+ATOM      4  CA  ALA     3       3.516   0.299  -2.122          0.045
+ATOM      5  CB  ALA     3       4.178   0.292  -2.630          0.054
+ATOM      6  CA  ALA     4       4.961  -1.877   0.604          0.032
+ATOM      7  CB  ALA     4       4.374  -2.345   0.605          0.075
+ATOM      8  CA  CYS     5       8.413  -3.459   1.116          0.036
+ATOM      9  CB  CYS     5       9.110  -3.196   2.088          0.006
+ATOM     10  CA  ALA     6       7.764  -7.249   1.033          0.004
+ATOM     11  CB  ALA     6       7.811  -7.369   0.282          0.025
+ATOM     12  CA  ALA     7       9.971 -10.224   1.909          0.055
+ATOM     13  CB  ALA     7      10.303 -10.891   2.182          0.020
+ATOM     14  CA  ALA     8      12.407 -12.061  -0.469          0.008
+ATOM     15  CB  ALA     8      13.118 -11.817  -0.506          0.076
+ATOM     16  CA  ALA     9      13.263 -15.710  -0.418          0.021
+ATOM     17  CB  ALA     9      13.356 -16.277  -0.827          0.054
+ATOM     18  CA  ALA    10      16.657 -16.998   0.912          0.020
+ATOM     19  CB  ALA    10      16.771 -16.885   1.657          0.049
+ATOM     20  CA  ALA    11      19.098 -19.353  -0.810          0.099
+ATOM     21  CB  ALA    11      19.089 -19.313  -1.528          0.143
+ATOM     22  CA  ALA    12      22.660 -20.525   0.088          0.046
+ATOM     23  CB  ALA    12      22.166 -20.723   0.606          0.558
+ATOM     24  CA  ALA    13      24.817 -23.678  -0.611          0.020
+ATOM     25  CB  ALA    13      24.981 -23.681  -1.276          0.009
+ATOM     26  CA  CYS    14      27.173 -25.606   1.657          0.012
+ATOM     27  CB  CYS    14      26.703 -26.684   2.064          0.004
+ATOM     28  CA  ALA    15      30.808 -26.662   1.405          0.002
+ATOM     29  CB  ALA    15      31.362 -26.239   1.801          0.010
+ATOM     30  CA  ALA    16      31.687 -29.902  -0.339          0.007
+ATOM     31  CB  ALA    16      31.490 -29.699  -1.013          0.026
+ATOM     32  CA  ALA    17      35.197 -31.366  -0.151          0.022
+ATOM     33  CB  ALA    17      35.434 -31.575   0.575          0.007
+ATOM     34  CA  GLY    18      36.372 -34.159  -2.379          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  965.47                                       ENERGY     1.11906E+01
+ATOM      1  CA  GLY     1       1.183   6.206  -4.726          0.040
+ATOM      2  CA  ALA     2       1.108   4.046  -1.613          0.069
+ATOM      3  CB  ALA     2       1.619   3.896  -1.223          0.092
+ATOM      4  CA  ALA     3       3.431   0.929  -1.685          0.011
+ATOM      5  CB  ALA     3       3.117   0.406  -2.150          0.020
+ATOM      6  CA  ALA     4       4.120  -1.575   1.048          0.031
+ATOM      7  CB  ALA     4       3.440  -1.931   1.190          0.041
+ATOM      8  CA  CYS     5       7.208  -3.669   0.444          0.020
+ATOM      9  CB  CYS     5       8.444  -3.441   0.743          0.030
+ATOM     10  CA  ALA     6       7.297  -7.443   0.461          0.021
+ATOM     11  CB  ALA     6       6.953  -8.033   0.098          0.074
+ATOM     12  CA  ALA     7      10.045 -10.030   0.663          0.002
+ATOM     13  CB  ALA     7      10.198 -10.591   1.180          0.101
+ATOM     14  CA  ALA     8      11.886 -12.621  -1.342          0.008
+ATOM     15  CB  ALA     8      12.143 -12.370  -1.996          0.022
+ATOM     16  CA  ALA     9      14.049 -15.419   0.276          0.006
+ATOM     17  CB  ALA     9      13.281 -15.442   0.329          0.005
+ATOM     18  CA  ALA    10      17.594 -16.748  -0.055          0.031
+ATOM     19  CB  ALA    10      17.749 -16.411   0.553          0.017
+ATOM     20  CA  ALA    11      18.933 -20.267   0.278          0.006
+ATOM     21  CB  ALA    11      18.988 -20.767  -0.232          0.104
+ATOM     22  CA  ALA    12      22.042 -21.222   2.203          0.015
+ATOM     23  CB  ALA    12      21.593 -21.421   2.756          0.101
+ATOM     24  CA  ALA    13      24.947 -23.065   0.580          0.017
+ATOM     25  CB  ALA    13      25.407 -22.763   0.034          0.054
+ATOM     26  CA  CYS    14      27.961 -25.146   1.873          0.020
+ATOM     27  CB  CYS    14      27.434 -26.287   1.846          0.027
+ATOM     28  CA  ALA    15      31.233 -26.417   0.344          0.009
+ATOM     29  CB  ALA    15      31.915 -26.044   0.412          0.100
+ATOM     30  CA  ALA    16      32.116 -29.965  -0.597          0.031
+ATOM     31  CB  ALA    16      31.566 -30.337  -0.815          0.051
+ATOM     32  CA  ALA    17      35.426 -31.943  -0.800          0.014
+ATOM     33  CB  ALA    17      35.975 -31.973  -0.270          0.005
+ATOM     34  CA  GLY    18      35.925 -35.544  -2.138          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  989.36                                       ENERGY     4.85634E+00
+ATOM      1  CA  GLY     1      -1.057   5.767  -1.224          0.005
+ATOM      2  CA  ALA     2       2.220   4.050  -0.225          0.091
+ATOM      3  CB  ALA     2       2.419   3.625   0.310          0.036
+ATOM      4  CA  ALA     3       4.348   1.910  -2.605          0.002
+ATOM      5  CB  ALA     3       4.257   2.655  -2.585          0.161
+ATOM      6  CA  ALA     4       4.193  -1.736  -1.478          0.066
+ATOM      7  CB  ALA     4       3.490  -1.813  -1.295          0.107
+ATOM      8  CA  CYS     5       6.885  -4.460  -1.724          0.019
+ATOM      9  CB  CYS     5       7.891  -4.443  -1.033          0.054
+ATOM     10  CA  ALA     6       6.810  -8.026  -0.551          0.018
+ATOM     11  CB  ALA     6       6.556  -8.424  -1.137          0.013
+ATOM     12  CA  ALA     7       9.524  -9.848   1.370          0.038
+ATOM     13  CB  ALA     7       9.273  -9.932   2.010          0.023
+ATOM     14  CA  ALA     8      11.873 -12.566   0.191          0.049
+ATOM     15  CB  ALA     8      12.312 -12.876  -0.275          0.018
+ATOM     16  CA  ALA     9      14.249 -14.959   2.146          0.019
+ATOM     17  CB  ALA     9      13.825 -15.589   2.435          0.033
+ATOM     18  CA  ALA    10      17.226 -16.866   0.740          0.015
+ATOM     19  CB  ALA    10      17.507 -16.261   0.437          0.015
+ATOM     20  CA  ALA    11      19.183 -20.106   0.952          0.035
+ATOM     21  CB  ALA    11      18.546 -20.468   0.796          0.045
+ATOM     22  CA  ALA    12      22.999 -20.433   0.928          0.021
+ATOM     23  CB  ALA    12      23.648 -20.355   1.268          0.037
+ATOM     24  CA  ALA    13      25.459 -23.146  -0.111          0.008
+ATOM     25  CB  ALA    13      25.803 -22.698  -0.679          0.091
+ATOM     26  CA  CYS    14      27.708 -25.445   1.721          0.020
+ATOM     27  CB  CYS    14      27.229 -26.421   2.390          0.017
+ATOM     28  CA  ALA    15      31.131 -27.122   1.077          0.006
+ATOM     29  CB  ALA    15      31.675 -26.865   1.341          0.083
+ATOM     30  CA  ALA    16      31.680 -30.456  -0.729          0.036
+ATOM     31  CB  ALA    16      31.224 -30.369  -1.393          0.047
+ATOM     32  CA  ALA    17      34.817 -32.685  -0.457          0.014
+ATOM     33  CB  ALA    17      34.731 -33.514  -0.360          0.080
+ATOM     34  CA  GLY    18      37.282 -32.303  -3.376          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1010.31                                       ENERGY     5.28052E+00
+ATOM      1  CA  GLY     1      -0.448   6.560  -0.391          0.017
+ATOM      2  CA  ALA     2       2.739   4.425  -0.806          0.005
+ATOM      3  CB  ALA     2       3.092   4.854  -0.319          0.055
+ATOM      4  CA  ALA     3       3.272   0.703  -1.478          0.027
+ATOM      5  CB  ALA     3       3.491   0.491  -2.270          0.078
+ATOM      6  CA  ALA     4       4.701  -2.646  -0.317          0.013
+ATOM      7  CB  ALA     4       4.433  -2.849   0.271          0.183
+ATOM      8  CA  CYS     5       7.124  -5.209  -1.895          0.025
+ATOM      9  CB  CYS     5       8.360  -5.045  -1.795          0.037
+ATOM     10  CA  ALA     6       6.783  -8.996  -1.374          0.044
+ATOM     11  CB  ALA     6       6.396  -9.653  -1.349          0.143
+ATOM     12  CA  ALA     7       9.686 -10.426   0.785          0.016
+ATOM     13  CB  ALA     7       9.047 -10.109   1.028          0.050
+ATOM     14  CA  ALA     8      12.857 -12.097  -0.466          0.003
+ATOM     15  CB  ALA     8      12.903 -11.506  -0.940          0.044
+ATOM     16  CA  ALA     9      14.292 -14.863   1.595          0.003
+ATOM     17  CB  ALA     9      14.303 -15.398   1.928          0.059
+ATOM     18  CA  ALA    10      17.677 -16.272   0.711          0.017
+ATOM     19  CB  ALA    10      18.202 -15.743   0.735          0.014
+ATOM     20  CA  ALA    11      19.419 -19.570   1.744          0.024
+ATOM     21  CB  ALA    11      19.311 -19.943   1.175          0.126
+ATOM     22  CA  ALA    12      23.124 -19.934   2.369          0.034
+ATOM     23  CB  ALA    12      23.388 -20.082   3.040          0.020
+ATOM     24  CA  ALA    13      25.580 -22.150   0.408          0.028
+ATOM     25  CB  ALA    13      26.026 -21.861  -0.086          0.045
+ATOM     26  CA  CYS    14      26.685 -25.670   1.292          0.002
+ATOM     27  CB  CYS    14      25.683 -26.482   1.183          0.013
+ATOM     28  CA  ALA    15      30.263 -26.838   0.469          0.035
+ATOM     29  CB  ALA    15      30.926 -26.927   0.830          0.076
+ATOM     30  CA  ALA    16      31.468 -30.143  -0.942          0.005
+ATOM     31  CB  ALA    16      31.202 -30.387  -1.643          0.030
+ATOM     32  CA  ALA    17      34.777 -31.813  -0.288          0.014
+ATOM     33  CB  ALA    17      34.683 -32.202   0.346          0.066
+ATOM     34  CA  GLY    18      36.602 -33.713  -3.093          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1030.36                                       ENERGY    -5.14260E+00
+ATOM      1  CA  GLY     1       1.664   6.877   0.377          0.022
+ATOM      2  CA  ALA     2       3.381   4.076  -1.587          0.013
+ATOM      3  CB  ALA     2       3.841   3.966  -1.019          0.005
+ATOM      4  CA  ALA     3       2.062   0.524  -1.487          0.007
+ATOM      5  CB  ALA     3       1.846   0.575  -2.218          0.025
+ATOM      6  CA  ALA     4       3.648  -2.626  -0.118          0.019
+ATOM      7  CB  ALA     4       3.187  -2.624   0.412          0.062
+ATOM      8  CA  CYS     5       6.139  -4.818  -1.953          0.025
+ATOM      9  CB  CYS     5       7.243  -4.507  -1.543          0.020
+ATOM     10  CA  ALA     6       7.004  -8.395  -1.189          0.044
+ATOM     11  CB  ALA     6       6.521  -8.901  -1.511          0.069
+ATOM     12  CA  ALA     7       9.819 -10.169   0.550          0.025
+ATOM     13  CB  ALA     7       9.892 -10.517   1.114          0.128
+ATOM     14  CA  ALA     8      12.212 -12.755  -0.822          0.074
+ATOM     15  CB  ALA     8      12.532 -12.225  -1.290          0.020
+ATOM     16  CA  ALA     9      14.361 -15.293   0.958          0.000
+ATOM     17  CB  ALA     9      14.641 -15.920   1.276          0.001
+ATOM     18  CA  ALA    10      18.254 -15.701   1.301          0.022
+ATOM     19  CB  ALA    10      18.801 -15.432   1.724          0.043
+ATOM     20  CA  ALA    11      19.998 -19.082   1.290          0.015
+ATOM     21  CB  ALA    11      19.763 -19.493   0.729          0.140
+ATOM     22  CA  ALA    12      22.963 -20.483   3.385          0.034
+ATOM     23  CB  ALA    12      22.752 -20.914   3.936          0.037
+ATOM     24  CA  ALA    13      26.298 -21.714   1.966          0.107
+ATOM     25  CB  ALA    13      26.930 -21.348   2.143          0.007
+ATOM     26  CA  CYS    14      27.196 -25.089   0.464          0.022
+ATOM     27  CB  CYS    14      26.808 -25.545  -0.535          0.020
+ATOM     28  CA  ALA    15      30.453 -27.095   0.095          0.077
+ATOM     29  CB  ALA    15      30.811 -27.239   0.803          0.282
+ATOM     30  CA  ALA    16      31.312 -30.535  -1.249          0.018
+ATOM     31  CB  ALA    16      30.810 -30.695  -1.820          0.044
+ATOM     32  CA  ALA    17      34.669 -32.090  -0.435          0.001
+ATOM     33  CB  ALA    17      34.807 -32.397   0.298          0.019
+ATOM     34  CA  GLY    18      35.514 -35.328  -2.095          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1053.42                                       ENERGY     9.92753E+00
+ATOM      1  CA  GLY     1       0.995   7.027  -1.294          0.026
+ATOM      2  CA  ALA     2       3.160   3.940  -0.707          0.070
+ATOM      3  CB  ALA     2       3.151   3.939  -0.056          0.001
+ATOM      4  CA  ALA     3       2.414   0.460  -2.112          0.026
+ATOM      5  CB  ALA     3       2.144  -0.197  -2.355          0.037
+ATOM      6  CA  ALA     4       3.829  -2.554  -0.259          0.041
+ATOM      7  CB  ALA     4       3.357  -2.976   0.151          0.136
+ATOM      8  CA  CYS     5       6.710  -4.955  -1.093          0.002
+ATOM      9  CB  CYS     5       7.933  -4.605  -1.051          0.061
+ATOM     10  CA  ALA     6       6.767  -8.693  -0.648          0.004
+ATOM     11  CB  ALA     6       6.291  -9.063  -0.727          0.092
+ATOM     12  CA  ALA     7      10.322  -9.965  -0.011          0.008
+ATOM     13  CB  ALA     7      10.917 -10.199   0.274          0.017
+ATOM     14  CA  ALA     8      11.782 -13.417  -0.765          0.010
+ATOM     15  CB  ALA     8      12.356 -13.678  -1.153          0.054
+ATOM     16  CA  ALA     9      14.285 -15.351   1.344          0.024
+ATOM     17  CB  ALA     9      14.243 -16.080   1.423          0.078
+ATOM     18  CA  ALA    10      18.137 -15.257   1.557          0.019
+ATOM     19  CB  ALA    10      18.154 -15.175   2.316          0.007
+ATOM     20  CA  ALA    11      20.615 -18.037   0.559          0.024
+ATOM     21  CB  ALA    11      21.201 -18.376   0.175          0.072
+ATOM     22  CA  ALA    12      22.628 -20.561   2.446          0.005
+ATOM     23  CB  ALA    12      22.625 -21.217   2.120          0.051
+ATOM     24  CA  ALA    13      25.952 -21.632   1.040          0.005
+ATOM     25  CB  ALA    13      26.395 -21.230   1.491          0.177
+ATOM     26  CA  CYS    14      27.300 -25.160   0.683          0.030
+ATOM     27  CB  CYS    14      26.956 -25.509  -0.482          0.003
+ATOM     28  CA  ALA    15      30.443 -27.100   1.602          0.039
+ATOM     29  CB  ALA    15      30.497 -27.053   2.303          0.112
+ATOM     30  CA  ALA    16      31.954 -29.982  -0.472          0.006
+ATOM     31  CB  ALA    16      31.432 -29.540  -0.895          0.060
+ATOM     32  CA  ALA    17      34.491 -32.839  -0.429          0.016
+ATOM     33  CB  ALA    17      33.962 -33.228  -0.059          0.058
+ATOM     34  CA  GLY    18      33.875 -34.831  -3.570          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1079.10                                       ENERGY    -5.26714E+00
+ATOM      1  CA  GLY     1      -0.870   6.425  -2.236          0.007
+ATOM      2  CA  ALA     2       1.290   3.686  -0.686          0.026
+ATOM      3  CB  ALA     2       1.612   3.336  -0.060          0.132
+ATOM      4  CA  ALA     3       3.433   0.738  -1.915          0.003
+ATOM      5  CB  ALA     3       3.862   1.015  -2.432          0.028
+ATOM      6  CA  ALA     4       4.601  -2.653  -0.527          0.057
+ATOM      7  CB  ALA     4       4.362  -3.222  -0.195          0.077
+ATOM      8  CA  CYS     5       7.264  -5.241  -1.359          0.002
+ATOM      9  CB  CYS     5       8.302  -4.787  -0.952          0.042
+ATOM     10  CA  ALA     6       6.696  -8.591   0.394          0.062
+ATOM     11  CB  ALA     6       6.245  -9.068  -0.033          0.069
+ATOM     12  CA  ALA     7       9.888 -10.285   1.587          0.018
+ATOM     13  CB  ALA     7      10.133 -10.658   2.165          0.265
+ATOM     14  CA  ALA     8      12.455 -12.147  -0.402          0.002
+ATOM     15  CB  ALA     8      12.732 -11.740  -0.969          0.094
+ATOM     16  CA  ALA     9      14.853 -15.096  -0.182          0.067
+ATOM     17  CB  ALA     9      14.841 -15.821  -0.516          0.071
+ATOM     18  CA  ALA    10      18.419 -15.478   0.947          0.024
+ATOM     19  CB  ALA    10      18.823 -15.352   1.590          0.036
+ATOM     20  CA  ALA    11      20.430 -18.726   0.550          0.071
+ATOM     21  CB  ALA    11      20.533 -18.499  -0.139          0.287
+ATOM     22  CA  ALA    12      22.920 -20.489   2.792          0.071
+ATOM     23  CB  ALA    12      22.857 -21.151   3.036          0.172
+ATOM     24  CA  ALA    13      26.200 -21.515   1.183          0.007
+ATOM     25  CB  ALA    13      26.720 -21.040   1.504          0.165
+ATOM     26  CA  CYS    14      26.925 -25.233   0.876          0.007
+ATOM     27  CB  CYS    14      26.731 -25.739  -0.270          0.012
+ATOM     28  CA  ALA    15      30.282 -27.072   0.625          0.004
+ATOM     29  CB  ALA    15      30.685 -26.972   1.268          0.047
+ATOM     30  CA  ALA    16      31.251 -30.256  -1.234          0.001
+ATOM     31  CB  ALA    16      31.292 -29.979  -1.915          0.035
+ATOM     32  CA  ALA    17      32.852 -33.618  -0.734          0.003
+ATOM     33  CB  ALA    17      32.279 -33.807  -0.954          0.021
+ATOM     34  CA  GLY    18      36.551 -33.368  -0.056          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1104.40                                       ENERGY     1.60446E+00
+ATOM      1  CA  GLY     1      -1.382   6.372  -3.294          0.017
+ATOM      2  CA  ALA     2       0.200   3.940  -0.792          0.018
+ATOM      3  CB  ALA     2       0.165   3.871  -0.079          0.001
+ATOM      4  CA  ALA     3       1.769   0.710  -1.847          0.046
+ATOM      5  CB  ALA     3       2.042   0.374  -2.391          0.054
+ATOM      6  CA  ALA     4       2.951  -2.437  -0.218          0.005
+ATOM      7  CB  ALA     4       2.153  -2.619  -0.096          0.045
+ATOM      8  CA  CYS     5       6.544  -3.907  -0.167          0.052
+ATOM      9  CB  CYS     5       7.134  -2.761  -0.512          0.104
+ATOM     10  CA  ALA     6       8.076  -7.362  -0.027          0.039
+ATOM     11  CB  ALA     6       7.988  -7.866  -0.547          0.035
+ATOM     12  CA  ALA     7      11.406  -8.935   0.803          0.007
+ATOM     13  CB  ALA     7      11.403  -9.432   1.401          0.039
+ATOM     14  CA  ALA     8      13.468 -11.695  -0.814          0.020
+ATOM     15  CB  ALA     8      13.980 -11.540  -1.357          0.064
+ATOM     16  CA  ALA     9      14.951 -14.842   0.840          0.059
+ATOM     17  CB  ALA     9      14.362 -15.123   0.623          0.068
+ATOM     18  CA  ALA    10      18.206 -16.625   1.694          0.005
+ATOM     19  CB  ALA    10      18.067 -16.379   2.338          0.029
+ATOM     20  CA  ALA    11      20.343 -19.347   0.324          0.003
+ATOM     21  CB  ALA    11      20.436 -19.254  -0.437          0.337
+ATOM     22  CA  ALA    12      22.901 -21.319   2.236          0.035
+ATOM     23  CB  ALA    12      22.318 -21.680   2.392          0.160
+ATOM     24  CA  ALA    13      26.307 -22.551   0.994          0.002
+ATOM     25  CB  ALA    13      26.948 -22.131   0.937          0.068
+ATOM     26  CA  CYS    14      27.763 -25.972   0.174          0.028
+ATOM     27  CB  CYS    14      27.405 -26.687  -0.715          0.013
+ATOM     28  CA  ALA    15      31.135 -27.605   0.952          0.023
+ATOM     29  CB  ALA    15      31.420 -27.518   1.613          0.008
+ATOM     30  CA  ALA    16      32.879 -30.144  -1.295          0.037
+ATOM     31  CB  ALA    16      32.878 -29.619  -1.847          0.046
+ATOM     32  CA  ALA    17      33.339 -33.443   0.565          0.052
+ATOM     33  CB  ALA    17      32.691 -33.492   0.932          0.006
+ATOM     34  CA  GLY    18      34.979 -36.073  -1.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1127.57                                       ENERGY     1.05387E+01
+ATOM      1  CA  GLY     1      -3.240   2.865   0.463          0.024
+ATOM      2  CA  ALA     2       0.108   3.193  -1.411          0.031
+ATOM      3  CB  ALA     2       0.503   3.666  -1.119          0.024
+ATOM      4  CA  ALA     3       2.096   0.246  -2.804          0.010
+ATOM      5  CB  ALA     3       2.257   0.276  -3.561          0.058
+ATOM      6  CA  ALA     4       3.912  -2.055  -0.406          0.009
+ATOM      7  CB  ALA     4       3.521  -2.475   0.025          0.101
+ATOM      8  CA  CYS     5       7.370  -3.836  -0.629          0.004
+ATOM      9  CB  CYS     5       8.265  -3.081  -0.229          0.005
+ATOM     10  CA  ALA     6       8.447  -7.506  -0.392          0.006
+ATOM     11  CB  ALA     6       8.290  -7.933  -0.937          0.154
+ATOM     12  CA  ALA     7      11.751  -8.878   0.874          0.033
+ATOM     13  CB  ALA     7      11.805  -8.836   1.563          0.029
+ATOM     14  CA  ALA     8      13.423 -12.127  -0.135          0.012
+ATOM     15  CB  ALA     8      13.964 -12.292  -0.650          0.026
+ATOM     16  CA  ALA     9      15.433 -14.786   1.634          0.024
+ATOM     17  CB  ALA     9      14.888 -15.182   1.972          0.052
+ATOM     18  CA  ALA    10      19.000 -15.618   0.910          0.055
+ATOM     19  CB  ALA    10      19.464 -15.152   1.203          0.075
+ATOM     20  CA  ALA    11      20.753 -18.724  -0.380          0.016
+ATOM     21  CB  ALA    11      20.596 -18.498  -0.968          0.130
+ATOM     22  CA  ALA    12      22.498 -21.282   1.640          0.084
+ATOM     23  CB  ALA    12      22.124 -21.895   1.660          0.191
+ATOM     24  CA  ALA    13      25.938 -22.297   0.377          0.079
+ATOM     25  CB  ALA    13      25.687 -22.238   0.980          0.138
+ATOM     26  CA  CYS    14      26.800 -25.918   0.588          0.076
+ATOM     27  CB  CYS    14      26.353 -25.972  -0.604          0.023
+ATOM     28  CA  ALA    15      29.875 -27.836   1.582          0.018
+ATOM     29  CB  ALA    15      29.988 -27.912   2.288          0.238
+ATOM     30  CA  ALA    16      31.874 -29.835  -0.832          0.031
+ATOM     31  CB  ALA    16      32.560 -29.730  -1.323          0.059
+ATOM     32  CA  ALA    17      32.653 -33.557  -0.334          0.010
+ATOM     33  CB  ALA    17      32.080 -34.006  -0.671          0.034
+ATOM     34  CA  GLY    18      36.389 -34.253   0.068          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1156.17                                       ENERGY     1.85395E+01
+ATOM      1  CA  GLY     1      -4.446   3.416  -2.390          0.008
+ATOM      2  CA  ALA     2      -0.922   2.680  -1.289          0.013
+ATOM      3  CB  ALA     2      -0.684   2.963  -0.643          0.009
+ATOM      4  CA  ALA     3       1.428  -0.311  -1.712          0.013
+ATOM      5  CB  ALA     3       1.287  -0.712  -2.314          0.030
+ATOM      6  CA  ALA     4       4.438  -1.385   0.368          0.058
+ATOM      7  CB  ALA     4       4.420  -1.445   1.082          0.007
+ATOM      8  CA  CYS     5       7.291  -3.536  -0.875          0.052
+ATOM      9  CB  CYS     5       8.216  -2.967  -1.418          0.020
+ATOM     10  CA  ALA     6       8.659  -6.652   0.919          0.077
+ATOM     11  CB  ALA     6       8.322  -7.129   0.995          0.043
+ATOM     12  CA  ALA     7      12.239  -8.190   1.313          0.030
+ATOM     13  CB  ALA     7      12.102  -8.634   0.740          0.090
+ATOM     14  CA  ALA     8      13.611 -11.211  -0.590          0.038
+ATOM     15  CB  ALA     8      13.675 -11.062  -1.398          0.220
+ATOM     16  CA  ALA     9      15.464 -14.254   0.727          0.007
+ATOM     17  CB  ALA     9      15.268 -15.054   0.484          0.036
+ATOM     18  CA  ALA    10      18.923 -15.553   0.448          0.062
+ATOM     19  CB  ALA    10      19.159 -15.172   1.071          0.032
+ATOM     20  CA  ALA    11      21.103 -18.498  -0.479          0.156
+ATOM     21  CB  ALA    11      21.174 -18.487  -1.199          0.122
+ATOM     22  CA  ALA    12      23.405 -20.670   1.583          0.027
+ATOM     23  CB  ALA    12      22.898 -20.988   2.162          0.014
+ATOM     24  CA  ALA    13      26.179 -23.051   0.672          0.051
+ATOM     25  CB  ALA    13      26.763 -22.649   0.991          0.038
+ATOM     26  CA  CYS    14      26.253 -26.849   0.745          0.012
+ATOM     27  CB  CYS    14      26.152 -26.753  -0.511          0.017
+ATOM     28  CA  ALA    15      28.674 -29.470   2.086          0.035
+ATOM     29  CB  ALA    15      28.298 -29.804   2.678          0.023
+ATOM     30  CA  ALA    16      31.536 -30.383  -0.261          0.005
+ATOM     31  CB  ALA    16      32.019 -30.026  -0.690          0.076
+ATOM     32  CA  ALA    17      33.919 -33.408   0.126          0.003
+ATOM     33  CB  ALA    17      34.143 -34.133   0.102          0.025
+ATOM     34  CA  GLY    18      36.801 -33.687  -2.333          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1180.73                                       ENERGY     6.17234E+00
+ATOM      1  CA  GLY     1      -2.876   4.645  -1.395          0.004
+ATOM      2  CA  ALA     2      -0.297   2.045  -2.386          0.005
+ATOM      3  CB  ALA     2       0.193   2.286  -1.825          0.009
+ATOM      4  CA  ALA     3       1.000  -1.354  -1.410          0.005
+ATOM      5  CB  ALA     3       0.888  -1.934  -1.757          0.095
+ATOM      6  CA  ALA     4       3.754  -2.009   1.041          0.039
+ATOM      7  CB  ALA     4       3.133  -1.908   1.324          0.046
+ATOM      8  CA  CYS     5       7.111  -3.660   0.244          0.011
+ATOM      9  CB  CYS     5       7.817  -2.854  -0.456          0.012
+ATOM     10  CA  ALA     6       8.925  -7.070   0.481          0.023
+ATOM     11  CB  ALA     6       8.443  -7.486   0.246          0.257
+ATOM     12  CA  ALA     7      12.528  -8.199   0.405          0.018
+ATOM     13  CB  ALA     7      12.465  -8.221   1.100          0.101
+ATOM     14  CA  ALA     8      14.406 -10.733  -1.662          0.016
+ATOM     15  CB  ALA     8      14.907 -10.854  -2.296          0.101
+ATOM     16  CA  ALA     9      16.362 -13.134   0.517          0.017
+ATOM     17  CB  ALA     9      15.840 -13.476   0.555          0.086
+ATOM     18  CA  ALA    10      19.194 -15.397  -0.384          0.031
+ATOM     19  CB  ALA    10      19.735 -14.936  -0.118          0.030
+ATOM     20  CA  ALA    11      20.242 -19.089  -0.389          0.024
+ATOM     21  CB  ALA    11      20.131 -18.794  -1.085          0.193
+ATOM     22  CA  ALA    12      21.992 -21.272   2.278          0.010
+ATOM     23  CB  ALA    12      21.897 -21.926   2.624          0.012
+ATOM     24  CA  ALA    13      25.554 -22.632   1.728          0.002
+ATOM     25  CB  ALA    13      26.288 -22.537   1.840          0.093
+ATOM     26  CA  CYS    14      26.417 -26.291   1.184          0.006
+ATOM     27  CB  CYS    14      26.357 -26.791   0.044          0.014
+ATOM     28  CA  ALA    15      29.525 -28.459   1.772          0.016
+ATOM     29  CB  ALA    15      29.518 -29.061   2.205          0.042
+ATOM     30  CA  ALA    16      31.582 -30.205  -0.931          0.002
+ATOM     31  CB  ALA    16      31.856 -29.547  -1.189          0.091
+ATOM     32  CA  ALA    17      33.280 -33.700  -1.017          0.027
+ATOM     33  CB  ALA    17      32.824 -33.947  -1.462          0.057
+ATOM     34  CA  GLY    18      36.886 -34.529   0.022          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1204.31                                       ENERGY     1.74812E+00
+ATOM      1  CA  GLY     1      -2.137   3.386  -3.571          0.026
+ATOM      2  CA  ALA     2      -0.108   2.534  -0.506          0.025
+ATOM      3  CB  ALA     2       0.056   2.411   0.265          0.033
+ATOM      4  CA  ALA     3       0.872  -1.116  -0.687          0.025
+ATOM      5  CB  ALA     3       1.155  -1.508  -1.313          0.005
+ATOM      6  CA  ALA     4       3.885  -2.772   0.969          0.033
+ATOM      7  CB  ALA     4       3.763  -2.824   1.670          0.196
+ATOM      8  CA  CYS     5       6.621  -4.325  -1.235          0.032
+ATOM      9  CB  CYS     5       7.122  -3.702  -2.084          0.011
+ATOM     10  CA  ALA     6       9.008  -6.579   0.611          0.020
+ATOM     11  CB  ALA     6       9.207  -7.177   0.998          0.010
+ATOM     12  CA  ALA     7      12.615  -7.699   0.034          0.013
+ATOM     13  CB  ALA     7      13.201  -7.896   0.345          0.112
+ATOM     14  CA  ALA     8      14.448 -10.566  -1.511          0.040
+ATOM     15  CB  ALA     8      14.995 -10.161  -1.684          0.089
+ATOM     16  CA  ALA     9      16.154 -13.529   0.218          0.005
+ATOM     17  CB  ALA     9      15.598 -13.927   0.171          0.061
+ATOM     18  CA  ALA    10      19.711 -14.917  -0.193          0.020
+ATOM     19  CB  ALA    10      20.330 -14.895   0.169          0.032
+ATOM     20  CA  ALA    11      20.353 -18.625   0.162          0.016
+ATOM     21  CB  ALA    11      20.369 -19.156  -0.476          0.103
+ATOM     22  CA  ALA    12      22.196 -21.051   2.386          0.009
+ATOM     23  CB  ALA    12      21.707 -21.357   2.857          0.012
+ATOM     24  CA  ALA    13      25.517 -22.632   1.255          0.013
+ATOM     25  CB  ALA    13      25.956 -22.019   1.477          0.028
+ATOM     26  CA  CYS    14      26.236 -26.383   1.097          0.058
+ATOM     27  CB  CYS    14      26.043 -27.098   0.060          0.020
+ATOM     28  CA  ALA    15      29.439 -28.246   1.935          0.031
+ATOM     29  CB  ALA    15      29.120 -28.885   2.276          0.024
+ATOM     30  CA  ALA    16      31.981 -29.948  -0.178          0.003
+ATOM     31  CB  ALA    16      32.701 -29.922  -0.462          0.028
+ATOM     32  CA  ALA    17      32.732 -33.661  -0.500          0.002
+ATOM     33  CB  ALA    17      32.107 -34.086  -0.782          0.090
+ATOM     34  CA  GLY    18      36.028 -34.081  -2.234          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1226.41                                       ENERGY    -2.94635E+00
+ATOM      1  CA  GLY     1      -2.631   3.164   1.081          0.010
+ATOM      2  CA  ALA     2      -0.220   2.135  -1.646          0.036
+ATOM      3  CB  ALA     2       0.049   2.636  -2.135          0.031
+ATOM      4  CA  ALA     3       1.128  -1.488  -1.949          0.009
+ATOM      5  CB  ALA     3       1.700  -1.575  -2.470          0.122
+ATOM      6  CA  ALA     4       3.535  -2.953   0.579          0.050
+ATOM      7  CB  ALA     4       3.275  -3.365   1.116          0.078
+ATOM      8  CA  CYS     5       7.074  -3.544  -0.770          0.069
+ATOM      9  CB  CYS     5       7.729  -2.560  -0.869          0.019
+ATOM     10  CA  ALA     6       8.641  -6.839   0.072          0.031
+ATOM     11  CB  ALA     6       8.314  -7.404  -0.243          0.014
+ATOM     12  CA  ALA     7      12.290  -7.852   0.043          0.074
+ATOM     13  CB  ALA     7      12.653  -7.850   0.598          0.044
+ATOM     14  CA  ALA     8      14.237 -10.706  -1.550          0.010
+ATOM     15  CB  ALA     8      14.677 -10.985  -1.922          0.031
+ATOM     16  CA  ALA     9      16.104 -13.552   0.128          0.015
+ATOM     17  CB  ALA     9      15.794 -14.290   0.350          0.030
+ATOM     18  CA  ALA    10      19.704 -14.898   0.186          0.025
+ATOM     19  CB  ALA    10      19.951 -14.599   0.799          0.008
+ATOM     20  CA  ALA    11      20.832 -18.532  -0.137          0.012
+ATOM     21  CB  ALA    11      21.268 -18.815  -0.753          0.269
+ATOM     22  CA  ALA    12      22.470 -21.076   2.135          0.017
+ATOM     23  CB  ALA    12      22.202 -21.747   2.191          0.072
+ATOM     24  CA  ALA    13      25.848 -22.696   1.817          0.007
+ATOM     25  CB  ALA    13      26.198 -22.164   2.232          0.090
+ATOM     26  CA  CYS    14      26.726 -26.388   1.223          0.019
+ATOM     27  CB  CYS    14      26.481 -26.227   0.022          0.014
+ATOM     28  CA  ALA    15      29.798 -28.150   2.604          0.005
+ATOM     29  CB  ALA    15      29.718 -28.631   3.177          0.022
+ATOM     30  CA  ALA    16      31.795 -30.091  -0.036          0.048
+ATOM     31  CB  ALA    16      32.408 -29.780  -0.329          0.018
+ATOM     32  CA  ALA    17      31.759 -33.629  -1.618          0.005
+ATOM     33  CB  ALA    17      31.537 -33.976  -2.155          0.078
+ATOM     34  CA  GLY    18      35.123 -35.401  -1.491          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1255.05                                       ENERGY     1.43762E+00
+ATOM      1  CA  GLY     1      -3.854   3.015  -2.480          0.001
+ATOM      2  CA  ALA     2      -1.383   1.255  -0.251          0.011
+ATOM      3  CB  ALA     2      -1.697   0.748   0.223          0.080
+ATOM      4  CA  ALA     3       1.767  -0.894  -1.112          0.018
+ATOM      5  CB  ALA     3       1.682  -0.811  -1.855          0.064
+ATOM      6  CA  ALA     4       5.274  -1.361   0.276          0.010
+ATOM      7  CB  ALA     4       5.458  -1.540   0.997          0.009
+ATOM      8  CA  CYS     5       7.625  -3.791  -1.373          0.027
+ATOM      9  CB  CYS     5       8.505  -3.204  -1.889          0.005
+ATOM     10  CA  ALA     6       8.176  -7.121   0.395          0.021
+ATOM     11  CB  ALA     6       7.556  -7.591   0.275          0.169
+ATOM     12  CA  ALA     7      11.546  -8.923   0.293          0.029
+ATOM     13  CB  ALA     7      11.949  -8.802   0.903          0.084
+ATOM     14  CA  ALA     8      13.519 -11.569  -1.740          0.012
+ATOM     15  CB  ALA     8      13.813 -11.396  -2.394          0.087
+ATOM     16  CA  ALA     9      15.910 -14.126  -0.348          0.027
+ATOM     17  CB  ALA     9      15.881 -14.873  -0.149          0.071
+ATOM     18  CA  ALA    10      19.428 -14.731   0.872          0.005
+ATOM     19  CB  ALA    10      19.181 -14.231   1.380          0.002
+ATOM     20  CA  ALA    11      22.095 -17.366   0.008          0.048
+ATOM     21  CB  ALA    11      22.690 -17.149  -0.406          0.130
+ATOM     22  CA  ALA    12      23.054 -20.209   2.260          0.018
+ATOM     23  CB  ALA    12      22.686 -20.727   2.716          0.007
+ATOM     24  CA  ALA    13      26.476 -21.900   2.221          0.013
+ATOM     25  CB  ALA    13      27.217 -21.631   2.399          0.013
+ATOM     26  CA  CYS    14      26.903 -25.522   1.164          0.021
+ATOM     27  CB  CYS    14      27.373 -26.074   0.138          0.042
+ATOM     28  CA  ALA    15      29.303 -28.288   2.000          0.005
+ATOM     29  CB  ALA    15      28.860 -28.748   2.416          0.009
+ATOM     30  CA  ALA    16      31.247 -30.489  -0.395          0.007
+ATOM     31  CB  ALA    16      31.953 -30.582  -0.376          0.093
+ATOM     32  CA  ALA    17      31.273 -34.178  -1.415          0.051
+ATOM     33  CB  ALA    17      30.702 -34.392  -1.697          0.071
+ATOM     34  CA  GLY    18      34.406 -36.347  -1.715          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1277.44                                       ENERGY     4.10639E+00
+ATOM      1  CA  GLY     1       0.296   3.637  -0.163          0.015
+ATOM      2  CA  ALA     2      -1.926   0.769  -1.211          0.018
+ATOM      3  CB  ALA     2      -2.245   0.174  -1.554          0.084
+ATOM      4  CA  ALA     3       1.097  -1.641  -1.792          0.031
+ATOM      5  CB  ALA     3       1.437  -1.754  -2.455          0.112
+ATOM      6  CA  ALA     4       4.329  -2.369   0.011          0.061
+ATOM      7  CB  ALA     4       4.276  -2.320   0.733          0.039
+ATOM      8  CA  CYS     5       7.666  -3.792  -1.148          0.008
+ATOM      9  CB  CYS     5       8.596  -3.132  -0.695          0.003
+ATOM     10  CA  ALA     6       8.876  -7.206   0.159          0.018
+ATOM     11  CB  ALA     6       8.559  -7.878  -0.001          0.157
+ATOM     12  CA  ALA     7      12.149  -8.964   0.837          0.004
+ATOM     13  CB  ALA     7      12.013  -8.893   1.590          0.020
+ATOM     14  CA  ALA     8      13.791 -11.480  -1.318          0.023
+ATOM     15  CB  ALA     8      14.163 -10.820  -1.522          0.013
+ATOM     16  CA  ALA     9      15.940 -14.244   0.225          0.008
+ATOM     17  CB  ALA     9      15.705 -14.923   0.095          0.086
+ATOM     18  CA  ALA    10      19.714 -14.472  -0.034          0.024
+ATOM     19  CB  ALA    10      20.136 -14.055   0.357          0.188
+ATOM     20  CA  ALA    11      21.555 -17.818  -0.489          0.053
+ATOM     21  CB  ALA    11      21.701 -18.002  -1.196          0.032
+ATOM     22  CA  ALA    12      23.085 -19.824   2.248          0.005
+ATOM     23  CB  ALA    12      22.653 -20.457   2.226          0.132
+ATOM     24  CA  ALA    13      26.259 -21.964   2.265          0.023
+ATOM     25  CB  ALA    13      26.827 -22.037   2.662          0.018
+ATOM     26  CA  CYS    14      27.114 -25.382   0.894          0.032
+ATOM     27  CB  CYS    14      27.358 -25.296  -0.277          0.026
+ATOM     28  CA  ALA    15      29.949 -27.455   2.044          0.010
+ATOM     29  CB  ALA    15      29.798 -27.818   2.646          0.086
+ATOM     30  CA  ALA    16      31.708 -30.193  -0.063          0.035
+ATOM     31  CB  ALA    16      32.095 -30.716  -0.475          0.044
+ATOM     32  CA  ALA    17      30.103 -33.575  -1.100          0.032
+ATOM     33  CB  ALA    17      29.423 -33.656  -1.321          0.007
+ATOM     34  CA  GLY    18      32.199 -36.773  -1.631          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1303.08                                       ENERGY    -3.44880E+00
+ATOM      1  CA  GLY     1      -1.279   4.951  -2.893          0.031
+ATOM      2  CA  ALA     2      -0.818   1.650  -1.167          0.050
+ATOM      3  CB  ALA     2      -1.424   1.176  -1.335          0.017
+ATOM      4  CA  ALA     3       1.275  -1.390  -1.994          0.010
+ATOM      5  CB  ALA     3       1.447  -1.579  -2.622          0.033
+ATOM      6  CA  ALA     4       3.234  -3.309   0.699          0.006
+ATOM      7  CB  ALA     4       2.829  -3.830   1.058          0.050
+ATOM      8  CA  CYS     5       6.924  -3.841   0.012          0.004
+ATOM      9  CB  CYS     5       7.844  -3.198   0.422          0.006
+ATOM     10  CA  ALA     6       8.361  -7.271  -0.050          0.009
+ATOM     11  CB  ALA     6       8.220  -7.691  -0.730          0.037
+ATOM     12  CA  ALA     7      11.738  -8.894   0.951          0.003
+ATOM     13  CB  ALA     7      11.716  -9.494   1.356          0.102
+ATOM     14  CA  ALA     8      14.014 -11.078  -1.294          0.026
+ATOM     15  CB  ALA     8      14.452 -10.960  -1.849          0.072
+ATOM     16  CA  ALA     9      16.230 -14.012  -0.487          0.041
+ATOM     17  CB  ALA     9      16.181 -14.533  -0.980          0.060
+ATOM     18  CA  ALA    10      19.836 -14.519   0.587          0.031
+ATOM     19  CB  ALA    10      19.950 -14.138   1.142          0.088
+ATOM     20  CA  ALA    11      22.052 -17.485  -0.249          0.027
+ATOM     21  CB  ALA    11      22.076 -17.398  -1.010          0.072
+ATOM     22  CA  ALA    12      24.551 -19.192   2.152          0.002
+ATOM     23  CB  ALA    12      23.918 -19.408   2.492          0.139
+ATOM     24  CA  ALA    13      27.307 -21.810   1.756          0.015
+ATOM     25  CB  ALA    13      27.814 -21.390   2.010          0.154
+ATOM     26  CA  CYS    14      27.100 -25.624   1.423          0.003
+ATOM     27  CB  CYS    14      26.784 -25.242   0.194          0.023
+ATOM     28  CA  ALA    15      29.931 -28.041   1.822          0.007
+ATOM     29  CB  ALA    15      30.133 -28.510   2.433          0.304
+ATOM     30  CA  ALA    16      30.898 -30.794  -0.651          0.051
+ATOM     31  CB  ALA    16      31.453 -30.475  -1.054          0.024
+ATOM     32  CA  ALA    17      30.592 -34.604  -0.446          0.002
+ATOM     33  CB  ALA    17      29.936 -34.881  -0.205          0.150
+ATOM     34  CA  GLY    18      32.072 -37.374  -2.548          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1325.11                                       ENERGY     2.46579E+00
+ATOM      1  CA  GLY     1      -2.462   4.352  -2.430          0.040
+ATOM      2  CA  ALA     2       0.752   2.202  -2.054          0.062
+ATOM      3  CB  ALA     2       1.351   2.269  -1.684          0.061
+ATOM      4  CA  ALA     3       1.050  -1.454  -2.434          0.045
+ATOM      5  CB  ALA     3       1.772  -1.548  -2.763          0.055
+ATOM      6  CA  ALA     4       2.890  -3.825  -0.076          0.027
+ATOM      7  CB  ALA     4       2.464  -4.425  -0.115          0.036
+ATOM      8  CA  CYS     5       6.454  -4.781   0.935          0.006
+ATOM      9  CB  CYS     5       6.921  -4.336   1.921          0.046
+ATOM     10  CA  ALA     6       8.199  -7.903  -0.326          0.046
+ATOM     11  CB  ALA     6       8.057  -7.625  -0.975          0.026
+ATOM     12  CA  ALA     7      11.876  -8.841   0.155          0.074
+ATOM     13  CB  ALA     7      12.326  -9.080   0.694          0.027
+ATOM     14  CA  ALA     8      14.601 -10.818  -1.537          0.027
+ATOM     15  CB  ALA     8      15.256 -10.544  -1.789          0.047
+ATOM     16  CA  ALA     9      16.382 -13.149   1.032          0.063
+ATOM     17  CB  ALA     9      16.109 -13.810   1.025          0.059
+ATOM     18  CA  ALA    10      19.987 -14.165   1.101          0.003
+ATOM     19  CB  ALA    10      20.405 -13.951   1.622          0.131
+ATOM     20  CA  ALA    11      21.546 -17.575   0.567          0.013
+ATOM     21  CB  ALA    11      21.703 -17.796  -0.104          0.011
+ATOM     22  CA  ALA    12      24.935 -18.754   1.838          0.012
+ATOM     23  CB  ALA    12      25.175 -19.127   2.418          0.037
+ATOM     24  CA  ALA    13      27.138 -21.527   0.419          0.012
+ATOM     25  CB  ALA    13      27.697 -21.114   0.690          0.053
+ATOM     26  CA  CYS    14      26.903 -25.246   1.261          0.002
+ATOM     27  CB  CYS    14      26.083 -25.657   0.504          0.026
+ATOM     28  CA  ALA    15      29.300 -28.247   0.922          0.009
+ATOM     29  CB  ALA    15      29.231 -28.324   1.642          0.051
+ATOM     30  CA  ALA    16      30.089 -31.046  -1.495          0.051
+ATOM     31  CB  ALA    16      30.419 -30.580  -2.028          0.087
+ATOM     32  CA  ALA    17      30.489 -34.757  -0.720          0.025
+ATOM     33  CB  ALA    17      30.247 -35.470  -0.630          0.042
+ATOM     34  CA  GLY    18      33.953 -36.157   0.324          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1353.37                                       ENERGY     4.91228E+00
+ATOM      1  CA  GLY     1      -3.015   2.700  -3.557          0.052
+ATOM      2  CA  ALA     2      -0.506   1.917  -0.836          0.005
+ATOM      3  CB  ALA     2      -0.691   1.870  -0.086          0.007
+ATOM      4  CA  ALA     3       2.464   0.049  -2.355          0.070
+ATOM      5  CB  ALA     3       2.888  -0.454  -2.715          0.079
+ATOM      6  CA  ALA     4       3.773  -3.111  -0.398          0.025
+ATOM      7  CB  ALA     4       3.372  -3.701  -0.395          0.117
+ATOM      8  CA  CYS     5       6.793  -5.121  -1.531          0.032
+ATOM      9  CB  CYS     5       7.661  -4.227  -1.727          0.041
+ATOM     10  CA  ALA     6       8.339  -8.016   0.308          0.025
+ATOM     11  CB  ALA     6       8.258  -8.770   0.290          0.024
+ATOM     12  CA  ALA     7      12.085  -8.489   0.800          0.060
+ATOM     13  CB  ALA     7      12.559  -8.071   1.290          0.020
+ATOM     14  CA  ALA     8      13.598 -11.886   1.412          0.028
+ATOM     15  CB  ALA     8      13.752 -12.427   0.990          0.118
+ATOM     16  CA  ALA     9      17.005 -11.990   3.117          0.018
+ATOM     17  CB  ALA     9      17.050 -12.105   3.898          0.086
+ATOM     18  CA  ALA    10      19.909 -13.481   1.023          0.015
+ATOM     19  CB  ALA    10      20.452 -13.106   0.933          0.054
+ATOM     20  CA  ALA    11      20.983 -17.073   0.195          0.011
+ATOM     21  CB  ALA    11      21.089 -17.070  -0.594          0.051
+ATOM     22  CA  ALA    12      23.599 -19.646   1.275          0.010
+ATOM     23  CB  ALA    12      23.425 -20.169   1.747          0.012
+ATOM     24  CA  ALA    13      26.042 -22.003  -0.343          0.008
+ATOM     25  CB  ALA    13      26.644 -21.489  -0.176          0.009
+ATOM     26  CA  CYS    14      27.093 -25.612   0.249          0.016
+ATOM     27  CB  CYS    14      25.881 -25.756   0.009          0.005
+ATOM     28  CA  ALA    15      29.919 -28.118   0.962          0.010
+ATOM     29  CB  ALA    15      30.346 -28.325   1.513          0.143
+ATOM     30  CA  ALA    16      30.069 -31.527  -0.915          0.037
+ATOM     31  CB  ALA    16      30.279 -31.657  -1.684          0.026
+ATOM     32  CA  ALA    17      32.429 -34.233   0.040          0.001
+ATOM     33  CB  ALA    17      32.231 -34.340   0.756          0.051
+ATOM     34  CA  GLY    18      32.841 -37.427  -1.925          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1382.91                                       ENERGY     9.32055E+00
+ATOM      1  CA  GLY     1      -3.653   2.589  -2.962          0.006
+ATOM      2  CA  ALA     2      -1.400  -0.097  -1.457          0.045
+ATOM      3  CB  ALA     2      -1.629  -0.709  -0.996          0.057
+ATOM      4  CA  ALA     3       1.981   0.717  -2.958          0.006
+ATOM      5  CB  ALA     3       2.143   1.479  -3.096          0.141
+ATOM      6  CA  ALA     4       5.161  -0.930  -1.793          0.048
+ATOM      7  CB  ALA     4       5.297  -0.437  -1.262          0.006
+ATOM      8  CA  CYS     5       7.098  -4.196  -1.239          0.064
+ATOM      9  CB  CYS     5       8.338  -3.937  -1.305          0.007
+ATOM     10  CA  ALA     6       8.223  -6.781   1.322          0.008
+ATOM     11  CB  ALA     6       7.884  -7.422   1.450          0.042
+ATOM     12  CA  ALA     7      11.873  -7.736   1.896          0.034
+ATOM     13  CB  ALA     7      12.452  -7.886   2.343          0.023
+ATOM     14  CA  ALA     8      13.432 -11.021   0.499          0.066
+ATOM     15  CB  ALA     8      13.612 -10.515  -0.068          0.084
+ATOM     16  CA  ALA     9      15.757 -13.710   1.887          0.009
+ATOM     17  CB  ALA     9      15.181 -14.254   1.634          0.085
+ATOM     18  CA  ALA    10      19.146 -15.308   1.438          0.061
+ATOM     19  CB  ALA    10      19.115 -14.689   1.824          0.149
+ATOM     20  CA  ALA    11      21.231 -18.479   1.966          0.008
+ATOM     21  CB  ALA    11      21.202 -18.917   1.372          0.007
+ATOM     22  CA  ALA    12      24.921 -19.358   1.802          0.036
+ATOM     23  CB  ALA    12      25.288 -19.346   2.473          0.047
+ATOM     24  CA  ALA    13      25.644 -22.595  -0.100          0.109
+ATOM     25  CB  ALA    13      25.417 -22.398  -0.729          0.058
+ATOM     26  CA  CYS    14      27.437 -25.730   1.062          0.011
+ATOM     27  CB  CYS    14      27.377 -26.380   2.125          0.025
+ATOM     28  CA  ALA    15      28.655 -28.559  -1.312          0.020
+ATOM     29  CB  ALA    15      29.146 -28.446  -1.908          0.031
+ATOM     30  CA  ALA    16      29.650 -32.144  -0.982          0.004
+ATOM     31  CB  ALA    16      29.193 -32.569  -1.147          0.018
+ATOM     32  CA  ALA    17      33.343 -33.012  -1.040          0.001
+ATOM     33  CB  ALA    17      33.770 -32.992  -0.462          0.054
+ATOM     34  CA  GLY    18      34.438 -36.599  -0.875          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1406.92                                       ENERGY     3.51995E+00
+ATOM      1  CA  GLY     1      -4.070   0.753  -3.704          0.016
+ATOM      2  CA  ALA     2      -0.978   0.572  -1.627          0.039
+ATOM      3  CB  ALA     2      -1.532   0.562  -1.128          0.071
+ATOM      4  CA  ALA     3       1.972  -1.671  -1.995          0.003
+ATOM      5  CB  ALA     3       2.275  -1.592  -2.691          0.042
+ATOM      6  CA  ALA     4       5.497  -0.450  -1.086          0.031
+ATOM      7  CB  ALA     4       5.486   0.215  -0.644          0.066
+ATOM      8  CA  CYS     5       8.569  -2.705  -1.275          0.010
+ATOM      9  CB  CYS     5       9.539  -2.702  -2.133          0.044
+ATOM     10  CA  ALA     6       9.337  -5.640   0.977          0.007
+ATOM     11  CB  ALA     6       8.695  -6.122   1.088          0.115
+ATOM     12  CA  ALA     7      12.204  -7.991   1.198          0.048
+ATOM     13  CB  ALA     7      12.885  -7.565   1.201          0.043
+ATOM     14  CA  ALA     8      13.054 -11.678   1.731          0.005
+ATOM     15  CB  ALA     8      12.350 -11.465   1.490          0.246
+ATOM     16  CA  ALA     9      16.297 -13.238   2.618          0.008
+ATOM     17  CB  ALA     9      16.663 -13.182   3.294          0.058
+ATOM     18  CA  ALA    10      17.906 -16.016   0.590          0.004
+ATOM     19  CB  ALA    10      18.156 -15.369   0.388          0.056
+ATOM     20  CA  ALA    11      19.364 -19.156   2.085          0.033
+ATOM     21  CB  ALA    11      18.890 -19.696   2.062          0.040
+ATOM     22  CA  ALA    12      22.686 -20.749   1.324          0.024
+ATOM     23  CB  ALA    12      23.334 -20.602   1.709          0.052
+ATOM     24  CA  ALA    13      24.257 -23.974   0.005          0.005
+ATOM     25  CB  ALA    13      23.856 -23.812  -0.621          0.051
+ATOM     26  CA  CYS    14      27.812 -25.164   0.713          0.008
+ATOM     27  CB  CYS    14      27.835 -25.166   1.973          0.005
+ATOM     28  CA  ALA    15      29.895 -27.489  -1.469          0.017
+ATOM     29  CB  ALA    15      30.402 -27.257  -1.989          0.030
+ATOM     30  CA  ALA    16      30.350 -31.208  -0.756          0.003
+ATOM     31  CB  ALA    16      30.110 -31.894  -0.950          0.013
+ATOM     32  CA  ALA    17      33.625 -33.100  -0.486          0.003
+ATOM     33  CB  ALA    17      34.094 -33.138   0.180          0.033
+ATOM     34  CA  GLY    18      34.365 -36.531  -1.939          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1432.43                                       ENERGY    -2.19470E+00
+ATOM      1  CA  GLY     1      -3.148   2.711  -1.678          0.015
+ATOM      2  CA  ALA     2      -0.664   0.690  -3.688          0.018
+ATOM      3  CB  ALA     2      -0.013   0.883  -4.055          0.031
+ATOM      4  CA  ALA     3       1.324  -1.195  -1.149          0.042
+ATOM      5  CB  ALA     3       0.970  -1.779  -1.146          0.008
+ATOM      6  CA  ALA     4       5.175  -0.847  -0.704          0.032
+ATOM      7  CB  ALA     4       5.540  -0.434  -0.158          0.054
+ATOM      8  CA  CYS     5       8.009  -3.250  -1.267          0.020
+ATOM      9  CB  CYS     5       8.565  -3.307  -2.341          0.059
+ATOM     10  CA  ALA     6       9.825  -5.217   1.477          0.025
+ATOM     11  CB  ALA     6       9.615  -5.541   2.130          0.242
+ATOM     12  CA  ALA     7      12.605  -7.754   0.897          0.012
+ATOM     13  CB  ALA     7      13.261  -7.892   0.684          0.228
+ATOM     14  CA  ALA     8      13.278 -11.376   1.634          0.019
+ATOM     15  CB  ALA     8      13.287 -12.062   1.312          0.065
+ATOM     16  CA  ALA     9      16.353 -13.597   2.070          0.038
+ATOM     17  CB  ALA     9      16.981 -13.949   2.299          0.054
+ATOM     18  CA  ALA    10      17.445 -17.032   0.780          0.035
+ATOM     19  CB  ALA    10      17.309 -16.927  -0.017          0.071
+ATOM     20  CA  ALA    11      19.628 -19.422   2.644          0.004
+ATOM     21  CB  ALA    11      19.290 -20.091   2.679          0.166
+ATOM     22  CA  ALA    12      23.143 -20.497   1.716          0.019
+ATOM     23  CB  ALA    12      23.710 -20.342   2.167          0.015
+ATOM     24  CA  ALA    13      24.276 -23.205  -0.718          0.043
+ATOM     25  CB  ALA    13      24.309 -23.563  -1.400          0.028
+ATOM     26  CA  CYS    14      26.755 -25.664   0.830          0.012
+ATOM     27  CB  CYS    14      26.393 -25.998   2.034          0.009
+ATOM     28  CA  ALA    15      29.756 -27.185  -1.119          0.004
+ATOM     29  CB  ALA    15      30.270 -26.737  -1.283          0.002
+ATOM     30  CA  ALA    16      30.876 -30.799  -1.217          0.006
+ATOM     31  CB  ALA    16      30.553 -31.225  -1.680          0.027
+ATOM     32  CA  ALA    17      34.090 -32.625  -0.391          0.014
+ATOM     33  CB  ALA    17      34.013 -32.242   0.279          0.078
+ATOM     34  CA  GLY    18      34.720 -36.150  -1.564          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1458.91                                       ENERGY    -2.44813E+00
+ATOM      1  CA  GLY     1      -2.901   4.192  -2.210          0.024
+ATOM      2  CA  ALA     2       0.041   2.402  -3.581          0.203
+ATOM      3  CB  ALA     2       0.406   2.768  -4.121          0.318
+ATOM      4  CA  ALA     3       1.952   0.621  -0.804          0.124
+ATOM      5  CB  ALA     3       1.770  -0.124  -0.935          0.178
+ATOM      6  CA  ALA     4       5.511  -0.836  -1.286          0.040
+ATOM      7  CB  ALA     4       5.881  -0.676  -0.839          0.121
+ATOM      8  CA  CYS     5       6.037  -4.615  -0.527          0.015
+ATOM      9  CB  CYS     5       5.665  -5.016  -1.567          0.016
+ATOM     10  CA  ALA     6       8.841  -6.510   1.138          0.013
+ATOM     11  CB  ALA     6       8.354  -6.719   1.650          0.093
+ATOM     12  CA  ALA     7      12.247  -8.158   0.789          0.001
+ATOM     13  CB  ALA     7      12.984  -7.917   0.864          0.037
+ATOM     14  CA  ALA     8      13.394 -11.772   0.929          0.018
+ATOM     15  CB  ALA     8      13.426 -12.373   0.457          0.047
+ATOM     16  CA  ALA     9      16.682 -13.087   2.334          0.002
+ATOM     17  CB  ALA     9      16.930 -13.430   2.879          0.008
+ATOM     18  CA  ALA    10      18.873 -15.707   0.633          0.021
+ATOM     19  CB  ALA    10      19.081 -15.223   0.081          0.008
+ATOM     20  CA  ALA    11      20.343 -18.762   2.422          0.001
+ATOM     21  CB  ALA    11      19.717 -18.863   2.778          0.066
+ATOM     22  CA  ALA    12      23.365 -20.993   1.828          0.018
+ATOM     23  CB  ALA    12      23.800 -20.783   2.394          0.052
+ATOM     24  CA  ALA    13      23.521 -24.417   0.175          0.005
+ATOM     25  CB  ALA    13      23.356 -24.138  -0.542          0.014
+ATOM     26  CA  CYS    14      26.236 -27.053   0.634          0.009
+ATOM     27  CB  CYS    14      26.315 -27.784   1.558          0.007
+ATOM     28  CA  ALA    15      29.478 -27.570  -1.330          0.046
+ATOM     29  CB  ALA    15      29.830 -26.882  -1.232          0.020
+ATOM     30  CA  ALA    16      31.641 -30.585  -1.903          0.028
+ATOM     31  CB  ALA    16      31.695 -30.946  -2.552          0.048
+ATOM     32  CA  ALA    17      34.225 -32.333   0.281          0.030
+ATOM     33  CB  ALA    17      34.322 -32.637   0.954          0.016
+ATOM     34  CA  GLY    18      36.866 -34.461  -1.472          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1479.75                                       ENERGY    -1.34692E+00
+ATOM      1  CA  GLY     1      -1.839   5.474  -2.405          0.006
+ATOM      2  CA  ALA     2       0.343   2.670  -3.866          0.013
+ATOM      3  CB  ALA     2       0.776   3.094  -4.344          0.040
+ATOM      4  CA  ALA     3       1.774   0.115  -1.443          0.033
+ATOM      5  CB  ALA     3       1.546  -0.445  -1.164          0.019
+ATOM      6  CA  ALA     4       5.161  -1.493  -1.068          0.131
+ATOM      7  CB  ALA     4       5.863  -1.160  -0.821          0.082
+ATOM      8  CA  CYS     5       6.351  -4.555   0.919          0.022
+ATOM      9  CB  CYS     5       6.210  -5.592   0.213          0.057
+ATOM     10  CA  ALA     6       9.855  -6.051   0.919          0.016
+ATOM     11  CB  ALA     6      10.368  -6.345   1.379          0.007
+ATOM     12  CA  ALA     7      11.086  -9.388  -0.380          0.018
+ATOM     13  CB  ALA     7      11.455  -9.568  -0.984          0.187
+ATOM     14  CA  ALA     8      12.995 -12.343   1.062          0.020
+ATOM     15  CB  ALA     8      12.469 -12.835   1.357          0.131
+ATOM     16  CA  ALA     9      16.734 -12.725   1.726          0.013
+ATOM     17  CB  ALA     9      17.080 -12.431   2.349          0.036
+ATOM     18  CA  ALA    10      19.223 -15.638   0.827          0.011
+ATOM     19  CB  ALA    10      19.758 -15.188   0.501          0.019
+ATOM     20  CA  ALA    11      19.793 -18.835   2.795          0.000
+ATOM     21  CB  ALA    11      19.597 -19.336   2.346          0.072
+ATOM     22  CA  ALA    12      22.864 -20.955   2.177          0.009
+ATOM     23  CB  ALA    12      23.463 -20.966   2.684          0.010
+ATOM     24  CA  ALA    13      23.531 -23.769  -0.261          0.007
+ATOM     25  CB  ALA    13      23.764 -23.333  -0.873          0.027
+ATOM     26  CA  CYS    14      26.008 -26.543   0.388          0.028
+ATOM     27  CB  CYS    14      25.280 -27.463   0.829          0.002
+ATOM     28  CA  ALA    15      29.284 -27.708  -1.161          0.013
+ATOM     29  CB  ALA    15      29.937 -27.365  -1.427          0.043
+ATOM     30  CA  ALA    16      31.248 -30.921  -1.010          0.067
+ATOM     31  CB  ALA    16      31.298 -31.480  -1.488          0.077
+ATOM     32  CA  ALA    17      34.923 -31.553  -0.129          0.002
+ATOM     33  CB  ALA    17      34.945 -31.666   0.549          0.048
+ATOM     34  CA  GLY    18      37.484 -34.080  -1.338          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1505.35                                       ENERGY     1.33284E+01
+ATOM      1  CA  GLY     1       0.541   6.763  -4.351          0.014
+ATOM      2  CA  ALA     2       0.707   3.027  -3.559          0.017
+ATOM      3  CB  ALA     2       1.227   2.936  -4.074          0.030
+ATOM      4  CA  ALA     3       1.549   0.511  -0.887          0.008
+ATOM      5  CB  ALA     3       0.871   0.574  -0.680          0.169
+ATOM      6  CA  ALA     4       4.417  -2.016  -0.891          0.007
+ATOM      7  CB  ALA     4       5.133  -1.682  -0.793          0.073
+ATOM      8  CA  CYS     5       6.196  -5.047   0.567          0.035
+ATOM      9  CB  CYS     5       5.736  -5.919  -0.360          0.002
+ATOM     10  CA  ALA     6       9.196  -6.620   2.211          0.096
+ATOM     11  CB  ALA     6       8.948  -6.820   2.908          0.028
+ATOM     12  CA  ALA     7      11.507  -8.860   0.167          0.049
+ATOM     13  CB  ALA     7      12.198  -8.690  -0.281          0.014
+ATOM     14  CA  ALA     8      13.759 -11.237   1.990          0.002
+ATOM     15  CB  ALA     8      13.798 -12.003   2.314          0.015
+ATOM     16  CA  ALA     9      16.419 -13.202   0.263          0.011
+ATOM     17  CB  ALA     9      17.055 -12.945   0.233          0.027
+ATOM     18  CA  ALA    10      17.290 -16.982   0.283          0.058
+ATOM     19  CB  ALA    10      17.298 -16.732  -0.393          0.026
+ATOM     20  CA  ALA    11      19.882 -18.867   2.375          0.003
+ATOM     21  CB  ALA    11      19.500 -19.598   2.426          0.003
+ATOM     22  CA  ALA    12      23.069 -20.522   0.821          0.062
+ATOM     23  CB  ALA    12      23.567 -20.158   1.105          0.173
+ATOM     24  CA  ALA    13      23.919 -24.124   0.047          0.044
+ATOM     25  CB  ALA    13      23.764 -24.399  -0.599          0.038
+ATOM     26  CA  CYS    14      26.540 -26.504   1.461          0.034
+ATOM     27  CB  CYS    14      26.080 -27.669   1.532          0.006
+ATOM     28  CA  ALA    15      29.772 -27.424  -0.396          0.008
+ATOM     29  CB  ALA    15      30.259 -27.112  -0.024          0.053
+ATOM     30  CA  ALA    16      31.546 -30.506  -1.702          0.019
+ATOM     31  CB  ALA    16      31.213 -30.570  -2.290          0.020
+ATOM     32  CA  ALA    17      34.688 -31.801   0.098          0.009
+ATOM     33  CB  ALA    17      34.718 -32.280   0.584          0.033
+ATOM     34  CA  GLY    18      37.614 -33.544  -1.540          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1526.36                                       ENERGY    -3.45665E-01
+ATOM      1  CA  GLY     1      -0.573   5.995  -4.765          0.005
+ATOM      2  CA  ALA     2       0.947   2.680  -3.989          0.013
+ATOM      3  CB  ALA     2       1.440   2.292  -4.302          0.123
+ATOM      4  CA  ALA     3       2.623   1.544  -0.804          0.028
+ATOM      5  CB  ALA     3       2.103   1.331  -0.418          0.107
+ATOM      6  CA  ALA     4       4.903  -1.314   0.069          0.007
+ATOM      7  CB  ALA     4       5.259  -0.708   0.309          0.101
+ATOM      8  CA  CYS     5       5.852  -4.921   0.613          0.027
+ATOM      9  CB  CYS     5       5.637  -4.995  -0.578          0.012
+ATOM     10  CA  ALA     6       9.027  -6.436   2.052          0.045
+ATOM     11  CB  ALA     6       8.896  -6.724   2.792          0.042
+ATOM     12  CA  ALA     7      10.888  -9.258   0.466          0.067
+ATOM     13  CB  ALA     7      11.086  -8.969  -0.222          0.018
+ATOM     14  CA  ALA     8      12.598 -12.562   1.443          0.035
+ATOM     15  CB  ALA     8      12.382 -13.302   1.533          0.052
+ATOM     16  CA  ALA     9      16.223 -13.641   1.342          0.003
+ATOM     17  CB  ALA     9      16.424 -13.524   2.081          0.180
+ATOM     18  CA  ALA    10      17.856 -16.603  -0.380          0.008
+ATOM     19  CB  ALA    10      18.070 -16.451  -1.113          0.006
+ATOM     20  CA  ALA    11      19.493 -19.456   1.534          0.005
+ATOM     21  CB  ALA    11      19.205 -20.059   1.970          0.063
+ATOM     22  CA  ALA    12      23.037 -20.674   0.691          0.032
+ATOM     23  CB  ALA    12      23.578 -20.179   0.902          0.001
+ATOM     24  CA  ALA    13      24.106 -24.309   0.091          0.014
+ATOM     25  CB  ALA    13      23.969 -24.580  -0.567          0.001
+ATOM     26  CA  CYS    14      27.244 -26.186   1.054          0.029
+ATOM     27  CB  CYS    14      27.041 -26.516   2.257          0.033
+ATOM     28  CA  ALA    15      30.004 -27.405  -1.162          0.101
+ATOM     29  CB  ALA    15      30.569 -27.085  -1.429          0.018
+ATOM     30  CA  ALA    16      31.297 -30.930  -0.855          0.022
+ATOM     31  CB  ALA    16      31.003 -30.582  -1.459          0.251
+ATOM     32  CA  ALA    17      34.966 -31.539  -0.450          0.014
+ATOM     33  CB  ALA    17      35.295 -31.389   0.212          0.196
+ATOM     34  CA  GLY    18      36.769 -34.858  -0.478          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1546.80                                       ENERGY    -7.29927E-01
+ATOM      1  CA  GLY     1      -1.277   5.674  -4.095          0.013
+ATOM      2  CA  ALA     2       0.794   2.461  -3.689          0.069
+ATOM      3  CB  ALA     2       1.400   2.267  -4.001          0.064
+ATOM      4  CA  ALA     3       2.744   1.474  -0.599          0.002
+ATOM      5  CB  ALA     3       2.292   1.637  -0.043          0.004
+ATOM      6  CA  ALA     4       5.770  -0.851  -0.825          0.044
+ATOM      7  CB  ALA     4       5.972  -0.205  -0.969          0.039
+ATOM      8  CA  CYS     5       6.625  -4.601  -0.169          0.050
+ATOM      9  CB  CYS     5       6.360  -5.376  -1.058          0.065
+ATOM     10  CA  ALA     6       9.013  -6.469   2.133          0.009
+ATOM     11  CB  ALA     6       8.798  -7.034   2.622          0.067
+ATOM     12  CA  ALA     7      11.700  -8.946   1.175          0.048
+ATOM     13  CB  ALA     7      12.422  -8.969   1.300          0.088
+ATOM     14  CA  ALA     8      11.655 -12.657   0.961          0.022
+ATOM     15  CB  ALA     8      11.373 -12.874   0.281          0.002
+ATOM     16  CA  ALA     9      14.322 -15.028   2.306          0.036
+ATOM     17  CB  ALA     9      13.790 -15.562   2.482          0.047
+ATOM     18  CA  ALA    10      17.545 -16.505   0.955          0.020
+ATOM     19  CB  ALA    10      17.861 -15.826   1.077          0.057
+ATOM     20  CA  ALA    11      19.416 -19.725   1.588          0.045
+ATOM     21  CB  ALA    11      19.250 -20.291   1.133          0.023
+ATOM     22  CA  ALA    12      23.012 -20.684   0.868          0.033
+ATOM     23  CB  ALA    12      23.650 -20.619   1.272          0.089
+ATOM     24  CA  ALA    13      24.843 -23.076  -1.388          0.049
+ATOM     25  CB  ALA    13      24.880 -23.167  -2.123          0.007
+ATOM     26  CA  CYS    14      27.432 -25.346   0.229          0.073
+ATOM     27  CB  CYS    14      27.366 -24.785   1.311          0.037
+ATOM     28  CA  ALA    15      29.261 -28.309  -1.195          0.073
+ATOM     29  CB  ALA    15      29.863 -28.514  -1.654          0.028
+ATOM     30  CA  ALA    16      31.319 -31.083   0.183          0.003
+ATOM     31  CB  ALA    16      30.869 -31.695  -0.105          0.019
+ATOM     32  CA  ALA    17      35.054 -31.822  -0.082          0.007
+ATOM     33  CB  ALA    17      35.486 -31.339   0.200          0.065
+ATOM     34  CA  GLY    18      37.496 -34.807  -0.601          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1576.80                                       ENERGY     7.51875E+00
+ATOM      1  CA  GLY     1      -1.729   5.253  -3.201          0.004
+ATOM      2  CA  ALA     2       1.336   3.011  -3.459          0.012
+ATOM      3  CB  ALA     2       1.889   3.464  -3.621          0.013
+ATOM      4  CA  ALA     3       2.980   0.288  -1.359          0.023
+ATOM      5  CB  ALA     3       2.426  -0.242  -1.518          0.003
+ATOM      6  CA  ALA     4       6.166  -1.116   0.269          0.014
+ATOM      7  CB  ALA     4       5.889  -0.989   0.898          0.034
+ATOM      8  CA  CYS     5       7.971  -4.134  -1.192          0.024
+ATOM      9  CB  CYS     5       7.068  -4.137  -2.000          0.015
+ATOM     10  CA  ALA     6       9.011  -6.543   1.464          0.015
+ATOM     11  CB  ALA     6       8.401  -6.527   1.986          0.133
+ATOM     12  CA  ALA     7      10.301 -10.004   0.579          0.045
+ATOM     13  CB  ALA     7      10.593 -10.036  -0.159          0.090
+ATOM     14  CA  ALA     8      12.483 -12.087   2.833          0.000
+ATOM     15  CB  ALA     8      12.269 -12.355   3.459          0.031
+ATOM     16  CA  ALA     9      15.689 -13.965   2.381          0.032
+ATOM     17  CB  ALA     9      16.321 -13.840   2.866          0.103
+ATOM     18  CA  ALA    10      16.173 -17.514   0.875          0.027
+ATOM     19  CB  ALA    10      16.157 -17.626   0.077          0.043
+ATOM     20  CA  ALA    11      18.843 -20.077   1.516          0.067
+ATOM     21  CB  ALA    11      18.685 -20.847   1.638          0.075
+ATOM     22  CA  ALA    12      22.032 -21.154  -0.280          0.033
+ATOM     23  CB  ALA    12      22.581 -20.988   0.142          0.123
+ATOM     24  CA  ALA    13      24.123 -24.243  -0.910          0.011
+ATOM     25  CB  ALA    13      24.235 -24.158  -1.705          0.058
+ATOM     26  CA  CYS    14      27.303 -25.468   0.733          0.011
+ATOM     27  CB  CYS    14      27.607 -25.413   1.812          0.095
+ATOM     28  CA  ALA    15      29.960 -27.141  -1.476          0.030
+ATOM     29  CB  ALA    15      30.571 -26.881  -1.743          0.038
+ATOM     30  CA  ALA    16      31.712 -30.505  -1.309          0.055
+ATOM     31  CB  ALA    16      31.297 -30.912  -1.733          0.011
+ATOM     32  CA  ALA    17      35.109 -30.909   0.390          0.012
+ATOM     33  CB  ALA    17      35.353 -30.877   1.129          0.007
+ATOM     34  CA  GLY    18      36.515 -34.434   0.732          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1603.71                                       ENERGY     6.49986E-01
+ATOM      1  CA  GLY     1      -1.398   5.903  -1.891          0.012
+ATOM      2  CA  ALA     2       1.031   3.273  -3.351          0.014
+ATOM      3  CB  ALA     2       1.516   3.727  -3.601          0.056
+ATOM      4  CA  ALA     3       2.775   0.288  -1.668          0.022
+ATOM      5  CB  ALA     3       2.187  -0.102  -1.645          0.016
+ATOM      6  CA  ALA     4       6.130  -1.196  -0.928          0.035
+ATOM      7  CB  ALA     4       6.744  -0.967  -0.576          0.134
+ATOM      8  CA  CYS     5       6.814  -4.714   0.368          0.025
+ATOM      9  CB  CYS     5       6.219  -5.339  -0.480          0.007
+ATOM     10  CA  ALA     6       9.712  -6.647   1.879          0.030
+ATOM     11  CB  ALA     6       9.336  -6.892   2.359          0.028
+ATOM     12  CA  ALA     7      12.044  -8.636  -0.287          0.013
+ATOM     13  CB  ALA     7      12.658  -8.450  -0.697          0.106
+ATOM     14  CA  ALA     8      12.911 -12.241   0.558          0.000
+ATOM     15  CB  ALA     8      12.813 -12.685   0.023          0.036
+ATOM     16  CA  ALA     9      16.081 -13.897   1.818          0.036
+ATOM     17  CB  ALA     9      16.376 -14.311   2.303          0.028
+ATOM     18  CA  ALA    10      15.610 -17.597   1.194          0.030
+ATOM     19  CB  ALA    10      15.352 -17.925   0.564          0.106
+ATOM     20  CA  ALA    11      18.364 -20.055   1.857          0.026
+ATOM     21  CB  ALA    11      18.122 -20.794   2.138          0.092
+ATOM     22  CA  ALA    12      21.383 -21.257  -0.070          0.020
+ATOM     23  CB  ALA    12      21.380 -20.469   0.008          0.054
+ATOM     24  CA  ALA    13      23.519 -24.417  -0.051          0.022
+ATOM     25  CB  ALA    13      23.265 -24.807  -0.597          0.066
+ATOM     26  CA  CYS    14      27.169 -25.039   0.747          0.013
+ATOM     27  CB  CYS    14      27.450 -25.400   1.827          0.033
+ATOM     28  CA  ALA    15      29.840 -27.477  -0.494          0.064
+ATOM     29  CB  ALA    15      30.394 -27.175  -0.869          0.012
+ATOM     30  CA  ALA    16      31.883 -30.578   0.434          0.013
+ATOM     31  CB  ALA    16      31.319 -31.231   0.494          0.113
+ATOM     32  CA  ALA    17      35.610 -31.340  -0.126          0.009
+ATOM     33  CB  ALA    17      36.054 -31.504   0.528          0.175
+ATOM     34  CA  GLY    18      37.569 -32.536  -3.113          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1630.65                                       ENERGY     3.88618E+00
+ATOM      1  CA  GLY     1       0.901   6.826  -1.825          0.009
+ATOM      2  CA  ALA     2       0.673   3.136  -2.900          0.005
+ATOM      3  CB  ALA     2       1.157   2.917  -3.362          0.018
+ATOM      4  CA  ALA     3       1.880   0.628  -0.372          0.004
+ATOM      5  CB  ALA     3       1.892   0.093   0.176          0.131
+ATOM      6  CA  ALA     4       5.513  -0.597  -0.304          0.025
+ATOM      7  CB  ALA     4       6.229  -0.440  -0.035          0.003
+ATOM      8  CA  CYS     5       6.211  -4.302  -0.352          0.020
+ATOM      9  CB  CYS     5       5.550  -4.623  -1.326          0.024
+ATOM     10  CA  ALA     6       9.218  -6.202   1.085          0.017
+ATOM     11  CB  ALA     6       9.234  -6.334   1.797          0.039
+ATOM     12  CA  ALA     7      11.718  -8.670  -0.573          0.013
+ATOM     13  CB  ALA     7      12.428  -8.514  -0.693          0.002
+ATOM     14  CA  ALA     8      11.799 -12.431   0.000          0.023
+ATOM     15  CB  ALA     8      11.506 -13.126  -0.332          0.002
+ATOM     16  CA  ALA     9      14.911 -14.558   0.802          0.013
+ATOM     17  CB  ALA     9      15.045 -14.716   1.495          0.055
+ATOM     18  CA  ALA    10      17.309 -17.079  -0.619          0.039
+ATOM     19  CB  ALA    10      17.962 -16.888  -1.010          0.044
+ATOM     20  CA  ALA    11      19.524 -19.632   1.044          0.019
+ATOM     21  CB  ALA    11      19.210 -20.144   1.526          0.001
+ATOM     22  CA  ALA    12      22.818 -21.362   0.304          0.000
+ATOM     23  CB  ALA    12      23.406 -21.173   0.641          0.021
+ATOM     24  CA  ALA    13      23.830 -25.066   0.790          0.010
+ATOM     25  CB  ALA    13      23.688 -25.220   0.059          0.054
+ATOM     26  CA  CYS    14      26.724 -26.604   2.818          0.011
+ATOM     27  CB  CYS    14      26.762 -27.598   3.619          0.019
+ATOM     28  CA  ALA    15      29.475 -27.929   0.527          0.106
+ATOM     29  CB  ALA    15      29.062 -27.784  -0.029          0.224
+ATOM     30  CA  ALA    16      32.815 -29.608   0.726          0.054
+ATOM     31  CB  ALA    16      32.633 -30.257   0.640          0.682
+ATOM     32  CA  ALA    17      35.269 -30.603  -1.994          0.068
+ATOM     33  CB  ALA    17      35.161 -30.060  -2.404          0.041
+ATOM     34  CA  GLY    18      38.099 -33.314  -2.114          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_s.inp b/examples/unres/new/MD/DYN_SS/dyn_ss/small_s.inp
new file mode 100644
index 0000000..eecd73e
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss/small_s.inp
@@ -0,0 +1,21 @@
+small
+SEED=-1111333 MD ONE_LETTER
+nstep=20000  dt=0.1 ntwe=1000  ntwx=300   lang=0 tbf tau_bath=1.0 t_bath=400   &
+reset_moment=1000 reset_vel=0 damax=5.0 eq_time=1000 MDPDB PRINT_COMPON
+WSC=1.00000 WSCP=2.79405 WELEC=0.14581 WANG=1.95684 WSCLOC=0.17010             &
+WTOR=2.04698 WTORD=1.69624 WCORRH=1.84615 WCORR5=0.02730 WCORR6=0.00741        &
+WEL_LOC=1.21837 WTURN3=2.91386 WTURN4=0.73178 WTURN6=0.02391 WBOND=1.0         &
+CUTOFF=7.00000 WCORR4=0.00000 DYN_SS HT=5.0
+18
+GAAACAAAAAAAACAAAG
+2 5 14
+0 5 14
+ 0
+   94.2219  126.4898  126.2438   93.7788   91.7249   93.0837  110.1165  106.6607
+  125.1575   92.0650  121.3357  124.2571   95.2345  130.5054  128.1360   93.0353
+ -165.8597  -83.7767 -152.9424   76.6120   81.3368  -98.0882   88.3802   83.5550
+  175.2420   81.8485  -82.7157 -174.3585   87.2913  -95.5596 -166.1878
+  131.2386  132.3133  159.3888  133.7583  129.3963  131.2540  136.3920  139.4020
+  166.7033  127.2227  143.6798  167.3618  129.9654  144.5352  164.5225  129.4223
+  -75.7255  -78.7421  -84.7043  -88.2502  -78.0209  -77.9090 -105.8559 -104.7940
+  -78.0708  -75.8135  -92.6663  -82.4680 -104.3999  -81.1931  -79.8257  -76.0235
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_s.intin b/examples/unres/new/MD/DYN_SS/dyn_ss/small_s.intin
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_s.out_GB000 b/examples/unres/new/MD/DYN_SS/dyn_ss/small_s.out_GB000
new file mode 100644
index 0000000..33407af
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss/small_s.out_GB000
@@ -0,0 +1,40289 @@
+--------------------------------------------------------------------------------
+                              FILE ASSIGNMENT
+--------------------------------------------------------------------------------
+ Input file                      : small_s.inp
+ Output file                     : small_s.out_GB000
+ 
+ Sidechain potential file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-
+ 10-8k
+ SCp potential file              : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm
+ Electrostatic potential file    : 
+ /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm
+ Cumulant coefficient file       : 
+ /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ Torsional parameter file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm
+ Double torsional parameter file : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/czarek/UNRES/GIT/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm
+ Bending parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm
+ Rotamer parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm
+ Threading database              : 
+ /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart
+--------------------------------------------------------------------------------
+********************************************************************************
+United-residue force field calculation - parallel job.
+********************************************************************************
+ ### LAST MODIFIED  03/28/12 23:29 by czarek
+ ++++ Compile info ++++
+ Version 3.1 build 41
+ compiled Fri Feb 15 01:43:03 2013
+ compiled by czarek@piasek3
+ OS name:    Linux 
+ OS release: 2.6.32-42-generic 
+ OS version: #96-Ubuntu SMP Wed Aug 15 19:37:37 UTC 2012 
+ flags:
+ INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
+ FC= ifort
+ OPT =  -O3 -ip -w 
+ FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
+ FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
+ FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
+ FFLAGSE = -c -w -O3 -ipo -ipo_obj  -opt_report ...
+ LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...
+ ARCH = LINUX
+ PP = /lib/cpp -P
+ object = unres.o arcos.o cartprint.o chainbuild...
+ GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ...
+ GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP...
+ E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR...
+ E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort...
+ ++++ End of compile info ++++
+
+Potential is GB , exponents are   6 12
+
+Disulfide bridge parameters:
+S-S bridge energy:      -5.50
+d0cm:      3.78 akcm:     15.10
+akth:     11.00 akct:     12.00
+v1ss:     -1.08 v2ss:      7.61 v3ss:     13.70
+ MPI: node=            0  iseed(4)=            0           0         -16
+      -62756
+ ran_num  6.422640197456531E-013
+RMSDBC =        3.0
+RMSDBC1 =        0.5
+RMSDBC1MAX =        1.5
+DRMS    =        0.1
+RMSDBCM =        3.0
+Time limit (min):     960.0
+ RESCALE_MODE           2
+Library  routine used to diagonalize matrices.
+ 
+=========================== Parameters of the MD run ===========================
+ 
+The units are:
+positions: angstrom, time: 48.9 fs
+velocity: angstrom/(48.9 fs), acceleration: angstrom/(48.9 fs)**2
+energy: kcal/mol, temperature: K
+ 
+                                       Number of time steps:     20000
+                 Initial time step of numerical integration:   0.10000 natural units
+                                                               4.89000 fs
+Maximum acceleration threshold to reduce the time step/increase split number:   5.00000
+Maximum predicted energy drift to reduce the timestep/increase split number:  10.00000
+            Maximum velocity threshold to reduce velocities:  20.00000
+                               Frequency of property output:      1000
+                             Frequency of coordinate output:       300
+Berendsen bath calculation
+                                                Temperature: 400.00000
+                                    Coupling constant (tau):   1.00000
+Momenta will be reset at zero every      1000 steps
+
+============================== End of MD run setup =============================
+
+
+Energy-term weights (unscaled):
+
+WSCC=     1.000000 (SC-SC)
+WSCP=     2.794050 (SC-p)
+WELEC=    0.145810 (p-p electr)
+WVDWPP=   0.145810 (p-p VDW)
+WBOND=    1.000000 (stretching)
+WANG=     1.956840 (bending)
+WSCLOC=   0.170100 (SC local)
+WTOR=     2.046980 (torsional)
+WTORD=    1.696240 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  1.218370 (multi-body 3-rd order)
+WCORR4=   1.846150 (multi-body 4th order)
+WCORR5=   0.027300 (multi-body 5th order)
+WCORR6=   0.007410 (multi-body 6th order)
+WSCCOR=   1.000000 (back-scloc correlation)
+WTURN3=   2.913860 (turns, 3rd order)
+WTURN4=   0.731780 (turns, 4th order)
+WTURN6=   0.023910 (turns, 6th order)
+
+Hydrogen-bonding correlation between contact pairs of peptide groups
+
+Scaling factor of 1,4 SC-p interactions:   0.400
+General scaling factor of SC-p interactions:   1.000
+
+Energy-term weights (scaled):
+
+WSCC=     1.000000 (SC-SC)
+WSCP=     2.794050 (SC-p)
+WELEC=    0.117327 (p-p electr)
+WVDWPP=   0.145810 (p-p VDW)
+WBOND=    1.000000 (stretching)
+WANG=     1.956840 (bending)
+WSCLOC=   0.170100 (SC local)
+WTOR=     1.647115 (torsional)
+WTORD=    1.058472 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  0.760276 (multi-body 3-rd order)
+WCORR4=   0.874494 (multi-body 4th order)
+WCORR5=   0.009729 (multi-body 5th order)
+WCORR6=   0.001982 (multi-body 6th order)
+WSCCOR=   0.804656 (back-scloc correlatkion)
+WTURN3=   1.818280 (turns, 3rd order)
+WTURN4=   0.346633 (turns, 4th order)
+WTURN6=   0.006394 (turns, 6th order)
+ Reference temperature for weights calculation:   300.000000000000     
+ Parameters of the SS-bond potential:
+ D0CM   3.78000000000000       AKCM   15.1000000000000       AKTH
+   11.0000000000000       AKCT   12.0000000000000     
+ V1SS  -1.08000000000000       V2SS   7.61000000000000       V3SS
+   13.7000000000000     
+ EBR  -5.50000000000000       SS_DEPTH  -6.90133843152500     
+  HT   3.59866156847500     
+ ITEL
+           1          10           1
+           2           9           1
+           3           9           1
+           4           9           1
+           5           1           1
+           6           9           1
+           7           9           1
+           8           9           1
+           9           9           1
+          10           9           1
+          11           9           1
+          12           9           1
+          13           9           1
+          14           1           1
+          15           9           1
+          16           9           1
+          17           9           1
+ ns=           2  iss:           5          14
+ nss=           0  ihpb,jhpb: 
+Boundaries in phi angle sampling:
+GLY    1    -180.0     180.0
+ALA    2    -180.0     180.0
+ALA    3    -180.0     180.0
+ALA    4    -180.0     180.0
+CYS    5    -180.0     180.0
+ALA    6    -180.0     180.0
+ALA    7    -180.0     180.0
+ALA    8    -180.0     180.0
+ALA    9    -180.0     180.0
+ALA   10    -180.0     180.0
+ALA   11    -180.0     180.0
+ALA   12    -180.0     180.0
+ALA   13    -180.0     180.0
+CYS   14    -180.0     180.0
+ALA   15    -180.0     180.0
+ALA   16    -180.0     180.0
+ALA   17    -180.0     180.0
+GLY   18    -180.0     180.0
+ NZ_START=           1  NZ_END=          18
+ IZ_SC=           0
+Initial geometry will be read in.
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.800     0.000     0.000     0.743   131.239   -75.725
+ALA   3     3.800    94.222     0.000     0.743   132.313   -78.742
+ALA   4     3.800   126.490  -165.860     0.743   159.389   -84.704
+CYS   5     3.800   126.244   -83.777     1.237   133.758   -88.250
+ALA   6     3.800    93.779  -152.942     0.743   129.396   -78.021
+ALA   7     3.800    91.725    76.612     0.743   131.254   -77.909
+ALA   8     3.800    93.084    81.337     0.743   136.392  -105.856
+ALA   9     3.800   110.117   -98.088     0.743   139.402  -104.794
+ALA  10     3.800   106.661    88.380     0.743   166.703   -78.071
+ALA  11     3.800   125.158    83.555     0.743   127.223   -75.814
+ALA  12     3.800    92.065   175.242     0.743   143.680   -92.666
+ALA  13     3.800   121.336    81.849     0.743   167.362   -82.468
+CYS  14     3.800   124.257   -82.716     1.237   129.965  -104.400
+ALA  15     3.800    95.234  -174.358     0.743   144.535   -81.193
+ALA  16     3.800   130.505    87.291     0.743   164.523   -79.826
+ALA  17     3.800   128.136   -95.560     0.743   129.422   -76.023
+GLY  18     3.800    93.035  -166.188     0.000     0.000     0.000
+
+The chain contains  2 disulfide-bridging cysteines.
+   5  14
+ Running with dynamic disulfide-bond formation
+ Processor           0  CG group           0  absolute rank           0  nhpb
+           0  link_start=           1  link_end           0
+
+
+********************************************************************************
+                    Processor   0: end reading molecular data.
+********************************************************************************
+
+
+Mesoscopic molecular dynamics (MD) calculation.
+
+********************************************************************************
+
+ Calling chainbuild
+====================MD calculation start====================
+ Initial velocities randomly generated
+ Initial velocities
+  0   0.39133   0.02679   0.27319      0.00000   0.00000   0.00000
+  1  -0.17409  -0.26585  -0.21721      0.00000   0.00000   0.00000
+  2  -0.17148   0.42025   0.20576     -0.07613   0.16475   0.01193
+  3  -0.01404  -0.36110  -0.46494     -0.31406   0.04480  -0.30309
+  4   0.15172   0.29663   0.29266     -0.07974   0.11323   0.22586
+  5  -0.32168  -0.01456   0.05151     -0.17812  -0.01530  -0.02557
+  6   0.11448   0.13832   0.17223     -0.12900  -0.20376  -0.11786
+  7  -0.18175  -0.37828  -0.09633     -0.17966  -0.19816  -0.31341
+  8  -0.02028   0.22735  -0.36928     -0.04858   0.08355  -0.26764
+  9   0.34459  -0.25203   0.14694      0.01426  -0.12058  -0.21343
+ 10  -0.41200   0.20762  -0.12944     -0.00588  -0.02316   0.01848
+ 11   0.48857  -0.08617   0.25832      0.35227  -0.04402   0.04919
+ 12  -0.32840  -0.19630  -0.27333     -0.07994  -0.13029  -0.14699
+ 13   0.13872   0.24955   0.17068      0.08823   0.11539   0.21615
+ 14   0.18253   0.02951  -0.14956     -0.11740  -0.10145  -0.17371
+ 15  -0.19102  -0.09980   0.23974      0.03607  -0.01130   0.14715
+ 16   0.08092   0.16784  -0.32778      0.01162   0.30480  -0.18318
+ 17  -0.14311  -0.25973   0.34658     -0.44245  -0.17578   0.34891
+ 18   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
+ Calling the zero-angular  momentum subroutine
+ vcm right after adjustment:
+  2.589645510551981E-017 -5.004314973093692E-017  7.698946112451834E-018
+
+
+              alpha-carbon coordinates            centroid coordinates
+             X           Y           Z          X           Y           Z
+GLY(  1)     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+ALA(  2)     3.80000     0.00000     0.00000     4.23427     0.26509     0.54146
+ALA(  3)     4.07975    -3.78969     0.00000     3.84944    -4.12851    -0.61984
+ALA(  4)     7.20057    -5.82524     0.74634     7.16810    -6.28993     1.32519
+CYS(  5)     9.95934    -6.69343    -1.71850    10.85438    -5.86863    -1.93933
+ALA(  6)    10.94354    -9.87208     0.11659    10.95226    -9.93693     0.85670
+ALA(  7)     7.93052   -11.73539    -1.25812     7.26372   -11.42993    -1.37694
+ALA(  8)     9.63104   -12.45112    -4.58016     9.58961   -13.18824    -4.66373
+ALA(  9)     8.52967    -9.91367    -7.18560     7.78768    -9.87513    -7.18137
+ALA( 10)    10.91675    -6.96931    -6.91613    10.80591    -6.45745    -6.38910
+ALA( 11)    14.32688    -6.75777    -8.57934    14.43169    -6.75048    -9.31487
+ALA( 12)    14.83338    -3.18148    -7.39882    14.29586    -2.73145    -7.64498
+ALA( 13)    16.06566    -2.41552    -3.88672    16.74389    -2.12447    -3.80108
+CYS( 14)    13.83155    -2.29239    -0.81530    13.26104    -3.38733    -0.73922
+ALA( 15)    16.55326    -1.08334     1.54488    17.16950    -1.49838     1.55123
+ALA( 16)    17.72365     2.43759     2.36542    17.49068     2.73823     3.00369
+ALA( 17)    20.62575     4.36050     0.84219    20.60620     4.71218     0.18799
+GLY( 18)    20.56652     7.00708     3.56838    20.56652     7.00708     3.56838
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.800     0.000     0.000     0.743   131.239   -75.725
+ALA   3     3.800    94.222     0.000     0.743   132.313   -78.742
+ALA   4     3.800   126.490  -165.860     0.743   159.389   -84.704
+CYS   5     3.800   126.244   -83.777     1.237   133.758   -88.250
+ALA   6     3.800    93.779  -152.942     0.743   129.396   -78.021
+ALA   7     3.800    91.725    76.612     0.743   131.254   -77.909
+ALA   8     3.800    93.084    81.337     0.743   136.392  -105.856
+ALA   9     3.800   110.117   -98.088     0.743   139.402  -104.794
+ALA  10     3.800   106.661    88.380     0.743   166.703   -78.071
+ALA  11     3.800   125.158    83.555     0.743   127.223   -75.814
+ALA  12     3.800    92.065   175.242     0.743   143.680   -92.666
+ALA  13     3.800   121.336    81.848     0.743   167.362   -82.468
+CYS  14     3.800   124.257   -82.716     1.237   129.965  -104.400
+ALA  15     3.800    95.235  -174.359     0.743   144.535   -81.193
+ALA  16     3.800   130.505    87.291     0.743   164.523   -79.826
+ALA  17     3.800   128.136   -95.560     0.743   129.422   -76.024
+GLY  18     3.800    93.035  -166.188     0.000   180.000   180.000
+  SSBOND_E_FORM        0.00   400.0    5   14
+ dyn_ssbond_ene   -6.37402588085367     
+    SSBOND_FORM        0.00   400.0    5   14
+ Potential energy and its components
+
+Virtual-chain energies:
+
+EVDW=     -3.829796E+01 WEIGHT=    1.000000E+00 (SC-SC)
+EVDW2=     1.587745E+01 WEIGHT=    2.794050E+00 (SC-p)
+EES=      -1.637164E+01 WEIGHT=    1.173269E-01 (p-p)
+EVDWPP=   -2.422111E+01 WEIGHT=    1.458100E-01 (p-p VDW)
+ESTR=      3.389637E-27 WEIGHT=    1.000000E+00 (stretching)
+EBE=      -1.848624E+01 WEIGHT=    1.956840E+00 (bending)
+ESC=      -5.330913E+00 WEIGHT=    1.701000E-01 (SC local)
+ETORS=     1.003218E+01 WEIGHT=    1.647115E+00 (torsional)
+ETORSD=    4.005546E-02 WEIGHT=    1.058472E+00 (double torsional)
+EHPB=      0.000000E+00 WEIGHT=    1.000000E+00 (SS bridges & dist. cnstr.)
+ECORR4=   -1.177370E+01 WEIGHT=    8.744941E-01 (multi-body)
+ECORR5=    6.925138E+00 WEIGHT=    9.728750E-03 (multi-body)
+ECORR6=    2.174212E+01 WEIGHT=    1.981519E-03 (multi-body)
+EELLO=     4.608214E+00 WEIGHT=    7.602761E-01 (electrostatic-local)
+ETURN3=    6.231716E+00 WEIGHT=    1.818280E+00 (turns, 3rd order)
+ETURN4=    6.725022E+00 WEIGHT=    3.466334E-01 (turns, 4th order)
+ETURN6=   -2.518353E-01 WEIGHT=    6.393807E-03 (turns, 6th order)
+ESCCOR=   -1.545899E+01 WEIGHT=    8.046559E-01 (backbone-rotamer corr)
+EDIHC=     0.000000E+00 (dihedral angle constraints)
+ESS=      -5.500000E+00 (disulfide-bridge intrinsic energy)
+UCONST=     0.000000E+00 (Constraint energy)
+ETOT=     -2.536368E+01 (total)
+
+Initial:
+           Kinetic energy   3.83531E+01
+         potential energy  -2.53637E+01
+             total energy   1.29894E+01
+
+    maximum acceleration    2.54449E-01
+
+ dyn_ssbond_ene   -6.35954084056228     
+ dyn_ssbond_ene   -6.31183983064908     
+ dyn_ssbond_ene   -6.33981548799601     
+ dyn_ssbond_ene   -6.27521937996283     
+ dyn_ssbond_ene   -6.32674635432831     
+ dyn_ssbond_ene   -6.25315883104020     
+ dyn_ssbond_ene   -6.31935158982335     
+ dyn_ssbond_ene   -6.24070379526757     
+ dyn_ssbond_ene   -6.31541306398938     
+ dyn_ssbond_ene   -6.23374348451679     
+ dyn_ssbond_ene   -6.31129879527893     
+ dyn_ssbond_ene   -6.22667859418831     
+ dyn_ssbond_ene   -6.30701063780764     
+ dyn_ssbond_ene   -6.21952852137294     
+ dyn_ssbond_ene   -6.30255137692171     
+ dyn_ssbond_ene   -6.21231655208819     
+ dyn_ssbond_ene   -6.29792488054705     
+ dyn_ssbond_ene   -6.20506965479566     
+ dyn_ssbond_ene   -6.29313624023938     
+ dyn_ssbond_ene   -6.19786060001748     
+ dyn_ssbond_ene   -6.28819231368528     
+ dyn_ssbond_ene   -6.19071366371246     
+ dyn_ssbond_ene   -6.28310206995108     
+ dyn_ssbond_ene   -6.18367421299256     
+ dyn_ssbond_ene   -6.27251752582078     
+ dyn_ssbond_ene   -6.16988960715457     
+ dyn_ssbond_ene   -6.03986099111339     
+ dyn_ssbond_ene   -5.88491519082840     
+ dyn_ssbond_ene   -5.70594372522690     
+ dyn_ssbond_ene   -5.79839520800048     
+ dyn_ssbond_ene   -5.60885937563180     
+ dyn_ssbond_ene   -5.75304188150283     
+ dyn_ssbond_ene   -5.55913070073116     
+ dyn_ssbond_ene   -5.72991647706934     
+ dyn_ssbond_ene   -5.53452198750334     
+ dyn_ssbond_ene   -5.70655201722937     
+ dyn_ssbond_ene   -5.50997927629409     
+ dyn_ssbond_ene   -5.68299107082511     
+ dyn_ssbond_ene   -5.48575147428346     
+ dyn_ssbond_ene   -5.65928742399569     
+ dyn_ssbond_ene   -5.46198701395570     
+ dyn_ssbond_ene   -5.63550548743018     
+ dyn_ssbond_ene   -5.43873086539193     
+ dyn_ssbond_ene   -5.61171739567517     
+ dyn_ssbond_ene   -5.41609408102929     
+ dyn_ssbond_ene   -5.58800327967512     
+ dyn_ssbond_ene   -5.39437056540067     
+ dyn_ssbond_ene   -5.56445423217312     
+ dyn_ssbond_ene   -5.37370983330998     
+ dyn_ssbond_ene   -5.54116804388639     
+ dyn_ssbond_ene   -5.35415109520377     
+ dyn_ssbond_ene   -5.51824288655502     
+ dyn_ssbond_ene   -5.33578809817899     
+ dyn_ssbond_ene   -5.49577400757135     
+ dyn_ssbond_ene   -5.31866299443249     
+ dyn_ssbond_ene   -5.45184216448552     
+ dyn_ssbond_ene   -5.28167231982055     
+ dyn_ssbond_ene   -5.40927014448464     
+ dyn_ssbond_ene   -5.24774787461342     
+ dyn_ssbond_ene   -5.36845614907425     
+ dyn_ssbond_ene   -5.21703149262308     
+ dyn_ssbond_ene   -5.29153221160212     
+ dyn_ssbond_ene   -5.15592706132322     
+ dyn_ssbond_ene   -5.25605807216488     
+ dyn_ssbond_ene   -5.13222088037983     
+ dyn_ssbond_ene   -5.22328588548271     
+ dyn_ssbond_ene   -5.11097214556177     
+ dyn_ssbond_ene   -5.21946241758290     
+ dyn_ssbond_ene   -5.11377140609822     
+ dyn_ssbond_ene   -5.21583863283199     
+ dyn_ssbond_ene   -5.11642272315231     
+ dyn_ssbond_ene   -5.21411914995414     
+ dyn_ssbond_ene   -5.12032301750071     
+ dyn_ssbond_ene   -5.21248491168024     
+ dyn_ssbond_ene   -5.12400175281563     
+ dyn_ssbond_ene   -5.21093143283096     
+ dyn_ssbond_ene   -5.12747104573957     
+ dyn_ssbond_ene   -5.20945445501714     
+ dyn_ssbond_ene   -5.13074240636792     
+ dyn_ssbond_ene   -5.20804993709048     
+ dyn_ssbond_ene   -5.13382677593406     
+ dyn_ssbond_ene   -5.20671404598284     
+ dyn_ssbond_ene   -5.13673458471163     
+ dyn_ssbond_ene   -5.20544314792320     
+ dyn_ssbond_ene   -5.13947574187755     
+ dyn_ssbond_ene   -5.20423379999007     
+ dyn_ssbond_ene   -5.14205970891615     
+ dyn_ssbond_ene   -5.20308274199837     
+ dyn_ssbond_ene   -5.14449547303108     
+ dyn_ssbond_ene   -5.20198688867287     
+ dyn_ssbond_ene   -5.14679162422673     
+ dyn_ssbond_ene   -5.20094332211258     
+ dyn_ssbond_ene   -5.14895633388101     
+ dyn_ssbond_ene   -5.19994928450343     
+ dyn_ssbond_ene   -5.15099739841045     
+ dyn_ssbond_ene   -5.19900217107202     
+ dyn_ssbond_ene   -5.15292225766123     
+ dyn_ssbond_ene   -5.19809952326165     
+ dyn_ssbond_ene   -5.15473797121474     
+ dyn_ssbond_ene   -5.19723902209694     
+ dyn_ssbond_ene   -5.15645128991338     
+ dyn_ssbond_ene   -5.19641848174932     
+ dyn_ssbond_ene   -5.15806862375810     
+ dyn_ssbond_ene   -5.19563584327058     
+ dyn_ssbond_ene   -5.15959606346974     
+ dyn_ssbond_ene   -5.19488916849016     
+ dyn_ssbond_ene   -5.16103938482464     
+ dyn_ssbond_ene   -5.19417663406716     
+ dyn_ssbond_ene   -5.16240410878032     
+ dyn_ssbond_ene   -5.19349652571522     
+ dyn_ssbond_ene   -5.16369540554268     
+ dyn_ssbond_ene   -5.19284723254888     
+ dyn_ssbond_ene   -5.16491820194984     
+ dyn_ssbond_ene   -5.19222724159930     
+ dyn_ssbond_ene   -5.16607714752439     
+ dyn_ssbond_ene   -5.19163513247983     
+ dyn_ssbond_ene   -5.16717662012631     
+ dyn_ssbond_ene   -5.19106957220310     
+ dyn_ssbond_ene   -5.16822073501873     
+ dyn_ssbond_ene   -5.19052931015589     
+ dyn_ssbond_ene   -5.16921337267197     
+ dyn_ssbond_ene   -5.19001317324455     
+ dyn_ssbond_ene   -5.17015815770821     
+ dyn_ssbond_ene   -5.18952006120296     
+ dyn_ssbond_ene   -5.17105849253512     
+ dyn_ssbond_ene   -5.18904894208026     
+ dyn_ssbond_ene   -5.17191755066762     
+ dyn_ssbond_ene   -5.18859884790563     
+ dyn_ssbond_ene   -5.17273830331008     
+ dyn_ssbond_ene   -5.18816887054282     
+ dyn_ssbond_ene   -5.17352348562227     
+ dyn_ssbond_ene   -5.18775815771783     
+ dyn_ssbond_ene   -5.17427567864502     
+ dyn_ssbond_ene   -5.18736590925724     
+ dyn_ssbond_ene   -5.17499724369484     
+ dyn_ssbond_ene   -5.18699137350094     
+ dyn_ssbond_ene   -5.17569038314603     
+ dyn_ssbond_ene   -5.18663384391651     
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+ dyn_ssbond_ene   -6.15808145247390     
+ dyn_ssbond_ene   -6.13566731034756     
+ dyn_ssbond_ene   -6.15807858988242     
+ dyn_ssbond_ene   -6.13566443814039     
+ dyn_ssbond_ene   -6.15807572721690     
+ dyn_ssbond_ene   -6.13566156603091     
+ dyn_ssbond_ene   -6.15807286447736     
+ dyn_ssbond_ene   -6.13565869408044     
+ dyn_ssbond_ene   -6.15807000166384     
+ dyn_ssbond_ene   -6.13565582220624     
+ dyn_ssbond_ene   -6.15806713877636     
+ dyn_ssbond_ene   -6.13565295048648     
+ dyn_ssbond_ene   -6.15806427581493     
+ dyn_ssbond_ene   -6.13565007886854     
+ dyn_ssbond_ene   -6.15806141277959     
+ dyn_ssbond_ene   -6.13564720737342     
+ dyn_ssbond_ene   -6.15805854967035     
+ dyn_ssbond_ene   -6.13564433600513     
+ dyn_ssbond_ene   -6.15805568648723     
+ dyn_ssbond_ene   -6.13564146475098     
+ dyn_ssbond_ene   -6.15805282323027     
+ dyn_ssbond_ene   -6.13563859360888     
+ dyn_ssbond_ene   -6.15804995989949     
+ dyn_ssbond_ene   -6.13563572259754     
+ dyn_ssbond_ene   -6.15804709649489     
+ dyn_ssbond_ene   -6.13563285170634     
+ dyn_ssbond_ene   -6.15804423301655     
+ dyn_ssbond_ene   -6.13562998091906     
+ dyn_ssbond_ene   -6.15804136946444     
+ dyn_ssbond_ene   -6.13562711025678     
+ dyn_ssbond_ene   -6.15803850583859     
+ dyn_ssbond_ene   -6.13562423973112     
+ dyn_ssbond_ene   -6.15803564213906     
+ dyn_ssbond_ene   -6.13562136931602     
+ dyn_ssbond_ene   -6.15803277836584     
+ dyn_ssbond_ene   -6.13561849901228     
+ dyn_ssbond_ene   -6.15802991451898     
+ dyn_ssbond_ene   -6.13561562884280     
+ dyn_ssbond_ene   -6.15802705059846     
+ dyn_ssbond_ene   -6.13561275877990     
+ dyn_ssbond_ene   -6.15802418660435     
+ dyn_ssbond_ene   -6.13560988883559     
+ dyn_ssbond_ene   -6.15802132253664     
+ dyn_ssbond_ene   -6.13560701902945     
+ dyn_ssbond_ene   -6.15801845839539     
+ dyn_ssbond_ene   -6.13560414933298     
+ dyn_ssbond_ene   -6.15801559418058     
+ dyn_ssbond_ene   -6.13560127974406     
+ dyn_ssbond_ene   -6.15801272989229     
+ dyn_ssbond_ene   -6.13559841028669     
+ dyn_ssbond_ene   -6.15800986553048     
+ dyn_ssbond_ene   -6.13559554094545     
+ dyn_ssbond_ene   -6.15800700109523     
+ dyn_ssbond_ene   -6.13559267174326     
+ dyn_ssbond_ene   -6.15800413658652     
+ dyn_ssbond_ene   -6.13558980264919     
+ dyn_ssbond_ene   -6.15800127200441     
+ dyn_ssbond_ene   -6.13558693367154     
+ dyn_ssbond_ene   -6.15799840734889     
+ dyn_ssbond_ene   -6.13558406481201     
+ dyn_ssbond_ene   -6.15799554262000     
+ dyn_ssbond_ene   -6.13558119607724     
+ dyn_ssbond_ene   -6.15799267781777     
+ dyn_ssbond_ene   -6.13557832746911     
+ dyn_ssbond_ene   -6.15798981294222     
+ dyn_ssbond_ene   -6.13557545896799     
+ dyn_ssbond_ene   -6.15798694799337     
+ dyn_ssbond_ene   -6.13557259060376     
+ dyn_ssbond_ene   -6.15798408297126     
+ dyn_ssbond_ene   -6.13556972234325     
+ dyn_ssbond_ene   -6.15798121787587     
+ dyn_ssbond_ene   -6.13556685421654     
+ dyn_ssbond_ene   -6.15797835270729     
+ dyn_ssbond_ene   -6.13556398621429     
+ dyn_ssbond_ene   -6.15797548746549     
+ dyn_ssbond_ene   -6.13556111830756     
+ dyn_ssbond_ene   -6.15797262215052     
+ dyn_ssbond_ene   -6.13555825054040     
+ dyn_ssbond_ene   -6.15796975676237     
+ dyn_ssbond_ene   -6.13555538289497     
+ dyn_ssbond_ene   -6.15796689130113     
+ dyn_ssbond_ene   -6.13555251535808     
+ dyn_ssbond_ene   -6.15796402576675     
+ dyn_ssbond_ene   -6.13554964795324     
+ dyn_ssbond_ene   -6.15796116015932     
+ dyn_ssbond_ene   -6.13554678068002     
+ dyn_ssbond_ene   -6.15795829447881     
+ dyn_ssbond_ene   -6.13554391351594     
+ dyn_ssbond_ene   -6.15795542872526     
+ dyn_ssbond_ene   -6.13554104646158     
+ dyn_ssbond_ene   -6.15795256289872     
+ dyn_ssbond_ene   -6.13553817954838     
+ dyn_ssbond_ene   -6.15794969699918     
+ dyn_ssbond_ene   -6.13553531273741     
+ dyn_ssbond_ene   -6.15794683102668     
+ dyn_ssbond_ene   -6.13553244606384     
+ dyn_ssbond_ene   -6.15794396498125     
+ dyn_ssbond_ene   -6.13552957950226     
+ dyn_ssbond_ene   -6.15794109886289     
+ dyn_ssbond_ene   -6.13552671306385     
+ dyn_ssbond_ene   -6.15793823267166     
+ dyn_ssbond_ene   -6.13552384675075     
+ dyn_ssbond_ene   -6.15793536640755     
+ dyn_ssbond_ene   -6.13552098054971     
+ dyn_ssbond_ene   -6.15793250007060     
+ dyn_ssbond_ene   -6.13551811448809     
+ dyn_ssbond_ene   -6.15792963366085     
+ dyn_ssbond_ene   -6.13551524853232     
+ dyn_ssbond_ene   -6.15792676717827     
+ dyn_ssbond_ene   -6.13551238269590     
+ dyn_ssbond_ene   -6.15792390062294     
+ dyn_ssbond_ene   -6.13550951698378     
+ dyn_ssbond_ene   -6.15792103399487     
+ dyn_ssbond_ene   -6.13550665139037     
+ dyn_ssbond_ene   -6.15791816729407     
+ dyn_ssbond_ene   -6.13550378592864     
+ dyn_ssbond_ene   -6.15791530052056     
+ dyn_ssbond_ene   -6.13550092059781     
+ dyn_ssbond_ene   -6.15791243367440     
+ dyn_ssbond_ene   -6.13549805464398     
+ dyn_ssbond_ene   -6.15790956675557     
+ dyn_ssbond_ene   -6.13549518383937     
+ dyn_ssbond_ene   -6.15790669976412     
+ dyn_ssbond_ene   -6.13549231315870     
+ dyn_ssbond_ene   -6.15790383270006     
+ dyn_ssbond_ene   -6.13548944261092     
+ dyn_ssbond_ene   -6.15790096556344     
+ dyn_ssbond_ene   -6.13548657217218     
+ dyn_ssbond_ene   -6.15789809835425     
+ dyn_ssbond_ene   -6.13548370184243     
+ dyn_ssbond_ene   -6.15789523107253     
+ dyn_ssbond_ene   -6.13548083163461     
+ dyn_ssbond_ene   -6.15789236371830     
+ dyn_ssbond_ene   -6.13547796153752     
+ dyn_ssbond_ene   -6.15788949629159     
+ dyn_ssbond_ene   -6.13547509156678     
+ dyn_ssbond_ene   -6.15788662879241     
+ dyn_ssbond_ene   -6.13547222171574     
+ dyn_ssbond_ene   -6.15788376122081     
+ dyn_ssbond_ene   -6.13546935196135     
+ dyn_ssbond_ene   -6.15788089357678     
+ dyn_ssbond_ene   -6.13546648233136     
+ dyn_ssbond_ene   -6.15787802586035     
+ dyn_ssbond_ene   -6.13546361280740     
+ dyn_ssbond_ene   -6.15787515807155     
+ dyn_ssbond_ene   -6.13546074341826     
+ dyn_ssbond_ene   -6.15787229021044     
+ dyn_ssbond_ene   -6.13545787411961     
+ dyn_ssbond_ene   -6.15786942227698     
+ dyn_ssbond_ene   -6.13545500495288     
+ dyn_ssbond_ene   -6.15786655427122     
+ dyn_ssbond_ene   -6.13545213589311     
+ dyn_ssbond_ene   -6.15786368619319     
+ dyn_ssbond_ene   -6.13544926695601     
+ dyn_ssbond_ene   -6.15786081804290     
+ dyn_ssbond_ene   -6.13544639810929     
+ dyn_ssbond_ene   -6.15785794982040     
+ dyn_ssbond_ene   -6.13544352940732     
+ dyn_ssbond_ene   -6.15785508152568     
+ dyn_ssbond_ene   -6.13544066080303     
+ dyn_ssbond_ene   -6.15785221315877     
+ dyn_ssbond_ene   -6.13543779231425     
+ dyn_ssbond_ene   -6.15784934471970     
+ dyn_ssbond_ene   -6.13543492393361     
+ dyn_ssbond_ene   -6.15784647620852     
+ dyn_ssbond_ene   -6.13543205567935     
+ dyn_ssbond_ene   -6.15784360762520     
+ dyn_ssbond_ene   -6.13542918753260     
+ dyn_ssbond_ene   -6.15784073896979     
+ dyn_ssbond_ene   -6.13542631948843     
+ dyn_ssbond_ene   -6.15783787024231     
+ dyn_ssbond_ene   -6.13542345156827     
+ dyn_ssbond_ene   -6.15783500144280     
+ dyn_ssbond_ene   -6.13542058376080     
+ dyn_ssbond_ene   -6.15783213257125     
+ dyn_ssbond_ene   -6.13541771606559     
+ dyn_ssbond_ene   -6.15782926362770     
+ dyn_ssbond_ene   -6.13541484847953     
+ dyn_ssbond_ene   -6.15782639461220     
+ dyn_ssbond_ene   -6.13541198102373     
+ dyn_ssbond_ene   -6.15782352552472     
+ dyn_ssbond_ene   -6.13540911366578     
+ dyn_ssbond_ene   -6.15782065636531     
+ dyn_ssbond_ene   -6.13540624642388     
+ dyn_ssbond_ene   -6.15781778713402     
+ dyn_ssbond_ene   -6.13540337929838     
+ dyn_ssbond_ene   -6.15781491783084     
+ dyn_ssbond_ene   -6.13540051227062     
+ dyn_ssbond_ene   -6.15781204845578     
+ dyn_ssbond_ene   -6.13539764538450     
+ dyn_ssbond_ene   -6.15780917900890     
+ dyn_ssbond_ene   -6.13539477860148     
+ dyn_ssbond_ene   -6.15780630949019     
+ dyn_ssbond_ene   -6.13539191191147     
+ dyn_ssbond_ene   -6.15780343989971     
+ dyn_ssbond_ene   -6.13538904535080     
+ dyn_ssbond_ene   -6.15780057023745     
+ dyn_ssbond_ene   -6.13538617891141     
+ dyn_ssbond_ene   -6.15779770050343     
+ dyn_ssbond_ene   -6.13538331258647     
+ dyn_ssbond_ene   -6.15779483069770     
+ dyn_ssbond_ene   -6.13538044636914     
+ dyn_ssbond_ene   -6.15779196082028     
+ dyn_ssbond_ene   -6.13537758025592     
+ dyn_ssbond_ene   -6.15778909087117     
+ dyn_ssbond_ene   -6.13537471426887     
+ dyn_ssbond_ene   -6.15778622085042     
+ dyn_ssbond_ene   -6.13537184839384     
+ dyn_ssbond_ene   -6.15778335075803     
+ dyn_ssbond_ene   -6.13536898262110     
+ dyn_ssbond_ene   -6.15778048059404     
+ dyn_ssbond_ene   -6.13536611698354     
+ dyn_ssbond_ene   -6.15777761035847     
+ dyn_ssbond_ene   -6.13536325143596     
+ dyn_ssbond_ene   -6.15777474005132     
+ dyn_ssbond_ene   -6.13536038601262     
+ dyn_ssbond_ene   -6.15777186967265     
+ dyn_ssbond_ene   -6.13535752070707     
+ dyn_ssbond_ene   -6.15776899922245     
+ dyn_ssbond_ene   -6.13535465550908     
+ dyn_ssbond_ene   -6.15776612870077     
+ dyn_ssbond_ene   -6.13535179042721     
+ dyn_ssbond_ene   -6.15776325810761     
+Momenta zeroed out, time               26.49
+ dyn_ssbond_ene   -6.13534154832054     
+ dyn_ssbond_ene   -6.15776038657964     
+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    3.12500E-02
+           Energy & gradient evaluation:    1.86797E+01
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    1.94375E+01
+
+
+============================  End of MD calculation  ===========================
+CG processor   0 is finishing work.
+ Total wall clock time   19.4921875000000       sec
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_000.rst b/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_000.rst
new file mode 100644
index 0000000..dc570ee
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_000.rst
@@ -0,0 +1,74 @@
+   26.4928894042939        40.5116948329437        22.6570817906862     
+   63.1687766236300        400.000000000000     
+   -0.92963E-01   -0.33629E+00    0.27520E-01
+    0.53864E+00    0.98254E+00   -0.31673E+00
+   -0.16628E+00   -0.11122E+01    0.27028E+00
+   -0.57760E+00    0.63741E+00    0.19831E+00
+    0.30994E+00   -0.23914E+00   -0.18032E+00
+   -0.58833E-01    0.13390E+00   -0.99458E-02
+   -0.58953E-02   -0.10944E+00   -0.71186E-03
+   -0.28903E-01    0.28833E-01    0.45900E-01
+    0.23137E-01   -0.11836E-01   -0.14641E-01
+    0.65787E-02    0.94449E-02   -0.22567E-01
+   -0.10459E-01    0.94218E-02    0.64061E-02
+    0.37187E-02   -0.98882E-02    0.43967E-02
+   -0.75003E-03    0.36006E-02   -0.10069E-01
+    0.19553E-02   -0.25599E-02    0.64753E-02
+    0.98213E-03   -0.46036E-03   -0.42026E-02
+   -0.25069E-02   -0.26114E-02    0.20863E-02
+   -0.14564E-02    0.56756E-02   -0.45102E-03
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.35787E-01    0.25623E+00   -0.77737E-02
+   -0.13837E+01   -0.60327E+00    0.37291E+00
+   -0.33136E+00    0.25957E+00    0.75196E-01
+    0.19457E+00   -0.13434E+00   -0.13973E+00
+   -0.81448E-01    0.15860E-01    0.30345E-01
+    0.63632E-02   -0.40796E-01   -0.52109E-01
+   -0.11612E-01   -0.17514E-01   -0.97604E-02
+   -0.19412E-01   -0.35895E-01    0.19158E-03
+   -0.13734E-01    0.57003E-02   -0.10669E-01
+   -0.63778E-03    0.32770E-02    0.32098E-02
+   -0.28797E-02   -0.35133E-02    0.50824E-02
+   -0.88396E-03   -0.29545E-02   -0.53784E-02
+   -0.12214E-02    0.13634E-02    0.45085E-02
+   -0.19794E-02   -0.21713E-02   -0.55581E-03
+   -0.12746E-02   -0.35281E-04    0.10064E-02
+    0.19895E-02    0.13804E-02   -0.19319E-03
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.38624E+01   -0.12922E+01    0.12820E+00
+    0.16671E+01   -0.30079E+01   -0.10987E+01
+    0.21441E+01   -0.24006E+01    0.22180E+01
+    0.25311E+01   -0.15631E+01   -0.22427E+01
+   -0.29981E+00   -0.35069E+01    0.16327E+01
+   -0.13200E+01   -0.15021E+01   -0.32109E+01
+    0.29017E+01    0.13795E+00   -0.24916E+01
+   -0.19145E+01    0.21790E+01   -0.24833E+01
+    0.22513E+01    0.29938E+01    0.66323E+00
+    0.32287E+01    0.28622E+00   -0.19864E+01
+    0.67827E+00    0.35031E+01    0.13361E+01
+    0.11087E+01    0.47809E+00    0.36058E+01
+   -0.23150E+01    0.27378E+00    0.30098E+01
+    0.27000E+01    0.12496E+01    0.23864E+01
+    0.10603E+01    0.35623E+01    0.80031E+00
+    0.29001E+01    0.19851E+01   -0.14533E+01
+   -0.12435E+00    0.26064E+01    0.27732E+01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.42998E+00    0.30252E+00    0.52605E+00
+    0.58664E+00   -0.14291E+00    0.51648E-01
+   -0.35893E+00   -0.26700E+00    0.59387E+00
+    0.10646E+01    0.66924E+00   -0.61598E-01
+   -0.49994E+00   -0.13790E+00    0.52625E+00
+   -0.74596E+00    0.68408E-01    0.10853E-01
+    0.23362E+00   -0.68652E+00    0.11460E+00
+   -0.67277E+00    0.24890E+00   -0.17371E+00
+    0.24755E-01    0.36545E+00    0.64437E+00
+    0.38390E-01    0.41979E-01   -0.73678E+00
+   -0.48967E+00    0.49567E+00   -0.25137E+00
+    0.68513E+00    0.26221E+00    0.12766E+00
+   -0.70901E+00   -0.99838E+00    0.18762E+00
+    0.62332E+00   -0.40634E+00    0.21239E-01
+   -0.23059E+00    0.29482E+00    0.64021E+00
+   -0.15414E-01    0.36125E+00   -0.64809E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_GB000.int b/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_GB000.int
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_GB000.mol2 b/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_GB000.mol2
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_GB000.pdb b/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_GB000.pdb
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_GB000.stat b/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_GB000.stat
new file mode 100644
index 0000000..2eeda4b
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_GB000.stat
@@ -0,0 +1,22 @@
+                                                                                                                 #   EVDW SC-SC  EVDW2 SC-p  EES p-p     EBE bend    ESC SCloc   ETORS       ETORSD      ECORR4      ECORR5      ECORR6      EELLO       ETURN3      ETURN4      ETURN6      UCONST      EVDW2_14    EHPB        ESTR        EVDWPP      ESCCOR    
+         0           0.00      38.353     -25.364      12.989       0.254     378.662     400.000       8.514    0      -38.298      15.877     -16.372     -18.486      -5.331      10.032       0.040     -11.774       6.925      21.742       4.608       6.232       6.725      -0.252       0.000       0.000       0.000       0.000     -24.221     -15.459
+      1000           2.47      40.517      16.889      57.406       0.000     400.028     400.000       8.513    0      -37.239      15.692     -16.073     -18.300      49.829      10.452       0.093     -11.563       8.744      22.169       4.751       6.158       6.882      -0.114       0.000       0.000       0.000      27.246     -24.135     -10.871
+      2000           2.48      40.517      15.992      56.509       0.000     400.026     400.000       8.512    0      -37.237      15.685     -16.081     -18.312      50.166      10.452       0.088     -11.566       8.732      21.768       4.738       6.173       6.893      -0.110       0.000       0.000       0.000      26.332     -24.139     -10.885
+      3000           2.49      40.516      15.571      56.086       0.000     400.012     400.000       8.512    0      -37.235      15.682     -16.086     -18.317      50.360      10.452       0.085     -11.569       8.725      21.537       4.730       6.182       6.900      -0.107       0.000       0.000       0.000      25.896     -24.142     -10.892
+      4000           2.49      40.516      15.260      55.775       0.000     400.012     400.000       8.512    0      -37.232      15.679     -16.090     -18.321      50.529      10.452       0.083     -11.571       8.719      21.335       4.724       6.189       6.905      -0.105       0.000       0.000       0.000      25.568     -24.144     -10.897
+      5000           2.50      40.515      14.999      55.515       0.000     400.011     400.000       8.512    0      -37.228      15.675     -16.094     -18.324      50.696      10.452       0.080     -11.573       8.714      21.134       4.717       6.197       6.910      -0.103       0.000       0.000       0.000      25.289     -24.146     -10.901
+      6000           2.51      40.515      14.790      55.305       0.000     400.010     400.000       8.512    0      -37.223      15.672     -16.098     -18.326      50.863      10.452       0.078     -11.575       8.708      20.932       4.710       6.204       6.915      -0.101       0.000       0.000       0.000      25.058     -24.148     -10.906
+      7000           2.51      40.515      14.630      55.145       0.000     400.009     400.000       8.512    0      -37.217      15.669     -16.103     -18.328      51.029      10.452       0.075     -11.577       8.703      20.730       4.703       6.212       6.921      -0.099       0.000       0.000       0.000      24.875     -24.150     -10.910
+      8000           2.52      40.515      14.519      55.034       0.000     400.008     400.000       8.512    0      -37.210      15.666     -16.107     -18.329      51.192      10.452       0.072     -11.579       8.698      20.528       4.697       6.219       6.926      -0.097       0.000       0.000       0.000      24.739     -24.151     -10.914
+      9000           2.52      40.515      14.457      54.973       0.000     400.007     400.000       8.512    0      -37.202      15.663     -16.111     -18.330      51.353      10.452       0.070     -11.581       8.694      20.326       4.690       6.226       6.930      -0.095       0.000       0.000       0.000      24.651     -24.153     -10.918
+     10000           2.53      40.515      14.444      54.959       0.000     400.006     400.000       8.511    0      -37.193      15.660     -16.116     -18.330      51.510      10.452       0.067     -11.583       8.690      20.124       4.683       6.233       6.935      -0.093       0.000       0.000       0.000      24.609     -24.154     -10.922
+     11000           2.54      40.515      14.479      54.994       0.000     400.004     400.000       8.511    0      -37.182      15.657     -16.120     -18.330      51.663      10.452       0.064     -11.584       8.686      19.923       4.677       6.241       6.940      -0.090       0.000       0.000       0.000      24.615     -24.156     -10.925
+     12000          16.43      71.151   12519.648   12590.799       0.062     702.479     400.000       8.613    0      -23.741      20.157     -13.970     -10.409     137.271      10.916      -0.390      -9.411      17.349      35.231       4.712       6.413       6.009       0.721       0.000       0.000       0.000   12469.914     -21.704      -9.853
+     13000          19.05      40.548      80.216     120.764       0.000     400.333     400.000       8.603    0      -34.755      19.446     -17.707     -15.146     131.864      10.985      -1.150     -12.596      33.737      40.649       7.101       5.951       7.706       3.547       0.000       0.000       0.000      55.797     -23.840      -9.421
+     14000          23.78      40.515      13.466      53.981       0.000     400.005     400.000       8.662    0      -34.473      14.713     -13.566     -20.910      47.310      11.371      -0.966      -9.528      20.241      36.331       7.112       5.096       7.503       1.125       0.000       0.000       0.000      26.543     -23.364     -10.899
+     15000          23.83      40.516      11.265      51.781       0.000     400.015     400.000       8.664    0      -34.439      14.741     -13.566     -20.852      46.267      11.346      -0.974      -9.528      20.202      36.201       7.183       5.033       7.516       1.119       0.000       0.000       0.000      24.584     -23.375     -11.126
+     16000          25.59      40.515      22.156      62.671       0.000     400.004     400.000       8.685    0      -34.957      14.323     -13.105     -20.944      23.400      11.314      -1.003      -9.232      19.713      32.929       7.212       5.038       7.467       1.000       0.000       0.000       0.000      42.252     -22.963     -12.760
+     17000          25.63      40.520      17.159      57.680       0.000     400.058     400.000       8.683    0      -34.973      14.339     -13.085     -20.865      22.032      11.279      -1.007      -9.226      19.701      32.533       7.274       5.008       7.479       0.995       0.000       0.000       0.000      37.540     -22.976     -12.972
+     18000          26.46      40.508      14.612      55.120       0.000     399.937     400.000       8.679    0      -33.150      14.401     -13.093     -20.958      27.364      11.127      -0.990      -9.243      20.190      31.040       7.447       4.951       7.594       0.932       0.000       0.000       0.000      31.385     -23.016     -11.642
+     19000          26.48      40.511      19.936      60.448       0.000     399.971     400.000       8.679    0      -33.124      14.410     -13.089     -20.933      27.922      11.108      -0.987      -9.243      20.159      30.845       7.482       4.934       7.602       0.936       0.000       0.000       0.000      36.545     -23.024     -11.640
+     20000          26.49      40.512      22.657      63.169       0.000     399.973     400.000       8.678    0      -33.090      14.416     -13.087     -20.918      28.256      11.096      -0.985      -9.243      20.144      30.733       7.501       4.924       7.606       0.938       0.000       0.000       0.000      39.154     -23.029     -11.645
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_MD000.pdb b/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_MD000.pdb
new file mode 100644
index 0000000..4ea793b
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss/small_s_MD000.pdb
@@ -0,0 +1,3696 @@
+REMARK time    2.46                                       ENERGY     1.76404E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.191  -0.011   0.194          0.024
+ATOM      2  CA  ALA     2       3.956  -0.102   0.051          0.182
+ATOM      3  CB  ALA     2       4.456   0.245   0.637          0.055
+ATOM      4  CA  ALA     3       4.074  -3.921  -0.174          0.023
+ATOM      5  CB  ALA     3       3.366  -3.571  -0.420          0.009
+ATOM      6  CA  ALA     4       7.224  -5.827   0.836          0.111
+ATOM      7  CB  ALA     4       7.099  -6.510   1.397          0.258
+ATOM      8  CA  CYS     5      10.211  -6.660  -1.617          0.016
+ATOM      9  CB  CYS     5      11.055  -5.797  -1.997          0.010
+ATOM     10  CA  ALA     6      10.800  -9.996   0.142          0.007
+ATOM     11  CB  ALA     6      10.768 -10.010   0.902          0.007
+ATOM     12  CA  ALA     7       7.690 -11.588  -1.495          0.020
+ATOM     13  CB  ALA     7       7.532 -11.149  -0.690          0.230
+ATOM     14  CA  ALA     8       9.510 -12.497  -4.637          0.049
+ATOM     15  CB  ALA     8       9.436 -13.181  -4.801          0.020
+ATOM     16  CA  ALA     9       8.487  -9.940  -7.207          0.001
+ATOM     17  CB  ALA     9       7.794  -9.906  -7.481          0.001
+ATOM     18  CA  ALA    10      10.968  -7.064  -7.024          0.000
+ATOM     19  CB  ALA    10      10.926  -6.609  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.688          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.420          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.816  -7.716          0.000
+ATOM     24  CA  ALA    13      16.081  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.715  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.306  -0.800          0.000
+ATOM     27  CB  CYS    14      13.227  -3.381  -0.840          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.528          0.000
+ATOM     29  CB  ALA    15      17.292  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.334          0.000
+ATOM     31  CB  ALA    16      17.512   2.893   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.276   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.008   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.46                                       ENERGY     1.73060E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.190  -0.010   0.194          0.024
+ATOM      2  CA  ALA     2       3.957  -0.104   0.051          0.184
+ATOM      3  CB  ALA     2       4.455   0.245   0.637          0.055
+ATOM      4  CA  ALA     3       4.077  -3.920  -0.172          0.024
+ATOM      5  CB  ALA     3       3.366  -3.572  -0.420          0.007
+ATOM      6  CA  ALA     4       7.222  -5.827   0.834          0.109
+ATOM      7  CB  ALA     4       7.099  -6.509   1.395          0.259
+ATOM      8  CA  CYS     5      10.210  -6.659  -1.616          0.016
+ATOM      9  CB  CYS     5      11.055  -5.797  -1.997          0.010
+ATOM     10  CA  ALA     6      10.800  -9.997   0.141          0.007
+ATOM     11  CB  ALA     6      10.768 -10.010   0.902          0.007
+ATOM     12  CA  ALA     7       7.690 -11.586  -1.494          0.020
+ATOM     13  CB  ALA     7       7.532 -11.149  -0.689          0.222
+ATOM     14  CA  ALA     8       9.511 -12.497  -4.639          0.049
+ATOM     15  CB  ALA     8       9.436 -13.181  -4.801          0.020
+ATOM     16  CA  ALA     9       8.486  -9.940  -7.207          0.001
+ATOM     17  CB  ALA     9       7.794  -9.906  -7.481          0.001
+ATOM     18  CA  ALA    10      10.968  -7.064  -7.024          0.000
+ATOM     19  CB  ALA    10      10.926  -6.609  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.688          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.420          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.816  -7.716          0.000
+ATOM     24  CA  ALA    13      16.081  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.715  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.306  -0.800          0.000
+ATOM     27  CB  CYS    14      13.227  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.528          0.000
+ATOM     29  CB  ALA    15      17.292  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.334          0.000
+ATOM     31  CB  ALA    16      17.512   2.893   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.276   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.008   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.47                                       ENERGY     1.69901E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.190  -0.010   0.194          0.023
+ATOM      2  CA  ALA     2       3.957  -0.105   0.051          0.186
+ATOM      3  CB  ALA     2       4.455   0.244   0.636          0.056
+ATOM      4  CA  ALA     3       4.079  -3.919  -0.171          0.026
+ATOM      5  CB  ALA     3       3.366  -3.572  -0.419          0.006
+ATOM      6  CA  ALA     4       7.220  -5.828   0.833          0.107
+ATOM      7  CB  ALA     4       7.099  -6.507   1.394          0.261
+ATOM      8  CA  CYS     5      10.210  -6.658  -1.615          0.016
+ATOM      9  CB  CYS     5      11.055  -5.797  -1.996          0.010
+ATOM     10  CA  ALA     6      10.800  -9.998   0.140          0.007
+ATOM     11  CB  ALA     6      10.768 -10.011   0.902          0.007
+ATOM     12  CA  ALA     7       7.689 -11.585  -1.493          0.019
+ATOM     13  CB  ALA     7       7.532 -11.149  -0.687          0.215
+ATOM     14  CA  ALA     8       9.512 -12.498  -4.641          0.048
+ATOM     15  CB  ALA     8       9.436 -13.181  -4.801          0.020
+ATOM     16  CA  ALA     9       8.486  -9.940  -7.207          0.001
+ATOM     17  CB  ALA     9       7.794  -9.905  -7.480          0.001
+ATOM     18  CA  ALA    10      10.968  -7.064  -7.024          0.000
+ATOM     19  CB  ALA    10      10.926  -6.609  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.688          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.420          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.816  -7.716          0.000
+ATOM     24  CA  ALA    13      16.081  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.715  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.306  -0.800          0.000
+ATOM     27  CB  CYS    14      13.227  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.528          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.334          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.276   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.008   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.47                                       ENERGY     1.66929E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.189  -0.009   0.194          0.022
+ATOM      2  CA  ALA     2       3.957  -0.107   0.051          0.186
+ATOM      3  CB  ALA     2       4.455   0.243   0.636          0.057
+ATOM      4  CA  ALA     3       4.082  -3.918  -0.170          0.027
+ATOM      5  CB  ALA     3       3.366  -3.572  -0.419          0.005
+ATOM      6  CA  ALA     4       7.219  -5.829   0.831          0.106
+ATOM      7  CB  ALA     4       7.099  -6.506   1.393          0.264
+ATOM      8  CA  CYS     5      10.209  -6.658  -1.613          0.017
+ATOM      9  CB  CYS     5      11.055  -5.796  -1.996          0.011
+ATOM     10  CA  ALA     6      10.800  -9.999   0.139          0.007
+ATOM     11  CB  ALA     6      10.768 -10.011   0.902          0.007
+ATOM     12  CA  ALA     7       7.689 -11.584  -1.492          0.018
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.685          0.208
+ATOM     14  CA  ALA     8       9.513 -12.498  -4.642          0.048
+ATOM     15  CB  ALA     8       9.436 -13.182  -4.802          0.020
+ATOM     16  CA  ALA     9       8.486  -9.940  -7.207          0.001
+ATOM     17  CB  ALA     9       7.794  -9.905  -7.480          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.688          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.420          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.816  -7.716          0.000
+ATOM     24  CA  ALA    13      16.081  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.715  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.306  -0.800          0.000
+ATOM     27  CB  CYS    14      13.227  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.528          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.334          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.276   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.47                                       ENERGY     1.64143E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.188  -0.009   0.194          0.021
+ATOM      2  CA  ALA     2       3.957  -0.109   0.051          0.189
+ATOM      3  CB  ALA     2       4.454   0.243   0.635          0.058
+ATOM      4  CA  ALA     3       4.085  -3.917  -0.168          0.029
+ATOM      5  CB  ALA     3       3.366  -3.572  -0.419          0.005
+ATOM      6  CA  ALA     4       7.217  -5.829   0.829          0.105
+ATOM      7  CB  ALA     4       7.099  -6.505   1.391          0.266
+ATOM      8  CA  CYS     5      10.208  -6.657  -1.612          0.017
+ATOM      9  CB  CYS     5      11.055  -5.796  -1.996          0.011
+ATOM     10  CA  ALA     6      10.800 -10.000   0.138          0.008
+ATOM     11  CB  ALA     6      10.768 -10.011   0.902          0.007
+ATOM     12  CA  ALA     7       7.688 -11.583  -1.491          0.017
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.684          0.201
+ATOM     14  CA  ALA     8       9.513 -12.499  -4.644          0.048
+ATOM     15  CB  ALA     8       9.437 -13.182  -4.802          0.020
+ATOM     16  CA  ALA     9       8.486  -9.940  -7.206          0.001
+ATOM     17  CB  ALA     9       7.794  -9.905  -7.480          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.688          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.421          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.816  -7.716          0.000
+ATOM     24  CA  ALA    13      16.081  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.715  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.306  -0.800          0.000
+ATOM     27  CB  CYS    14      13.227  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.528          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.334          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.276   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.48                                       ENERGY     1.61545E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.188  -0.008   0.194          0.021
+ATOM      2  CA  ALA     2       3.957  -0.110   0.050          0.191
+ATOM      3  CB  ALA     2       4.454   0.242   0.635          0.059
+ATOM      4  CA  ALA     3       4.088  -3.916  -0.167          0.031
+ATOM      5  CB  ALA     3       3.366  -3.572  -0.419          0.005
+ATOM      6  CA  ALA     4       7.216  -5.830   0.828          0.103
+ATOM      7  CB  ALA     4       7.100  -6.504   1.390          0.267
+ATOM      8  CA  CYS     5      10.207  -6.656  -1.611          0.018
+ATOM      9  CB  CYS     5      11.054  -5.796  -1.995          0.011
+ATOM     10  CA  ALA     6      10.800 -10.001   0.137          0.008
+ATOM     11  CB  ALA     6      10.768 -10.012   0.902          0.007
+ATOM     12  CA  ALA     7       7.688 -11.581  -1.490          0.016
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.682          0.194
+ATOM     14  CA  ALA     8       9.514 -12.500  -4.646          0.047
+ATOM     15  CB  ALA     8       9.437 -13.182  -4.803          0.020
+ATOM     16  CA  ALA     9       8.486  -9.939  -7.206          0.001
+ATOM     17  CB  ALA     9       7.794  -9.905  -7.480          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.421          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.081  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.715  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.306  -0.800          0.000
+ATOM     27  CB  CYS    14      13.227  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.528          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.334          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.276   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.48                                       ENERGY     1.59135E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.187  -0.008   0.194          0.020
+ATOM      2  CA  ALA     2       3.958  -0.112   0.050          0.192
+ATOM      3  CB  ALA     2       4.453   0.241   0.634          0.059
+ATOM      4  CA  ALA     3       4.090  -3.915  -0.166          0.032
+ATOM      5  CB  ALA     3       3.366  -3.572  -0.419          0.006
+ATOM      6  CA  ALA     4       7.214  -5.831   0.826          0.101
+ATOM      7  CB  ALA     4       7.100  -6.502   1.388          0.269
+ATOM      8  CA  CYS     5      10.207  -6.655  -1.610          0.018
+ATOM      9  CB  CYS     5      11.054  -5.796  -1.995          0.011
+ATOM     10  CA  ALA     6      10.800 -10.002   0.136          0.008
+ATOM     11  CB  ALA     6      10.768 -10.012   0.902          0.007
+ATOM     12  CA  ALA     7       7.687 -11.580  -1.488          0.016
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.680          0.188
+ATOM     14  CA  ALA     8       9.515 -12.500  -4.647          0.047
+ATOM     15  CB  ALA     8       9.437 -13.182  -4.803          0.020
+ATOM     16  CA  ALA     9       8.486  -9.939  -7.206          0.001
+ATOM     17  CB  ALA     9       7.794  -9.905  -7.480          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.421          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.081  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.715  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.306  -0.800          0.000
+ATOM     27  CB  CYS    14      13.227  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.528          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.334          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.276   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.48                                       ENERGY     1.57823E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.187  -0.007   0.194          0.020
+ATOM      2  CA  ALA     2       3.958  -0.112   0.050          0.193
+ATOM      3  CB  ALA     2       4.453   0.241   0.634          0.060
+ATOM      4  CA  ALA     3       4.092  -3.914  -0.165          0.033
+ATOM      5  CB  ALA     3       3.366  -3.572  -0.418          0.006
+ATOM      6  CA  ALA     4       7.213  -5.831   0.825          0.100
+ATOM      7  CB  ALA     4       7.100  -6.502   1.388          0.269
+ATOM      8  CA  CYS     5      10.206  -6.655  -1.609          0.018
+ATOM      9  CB  CYS     5      11.054  -5.796  -1.995          0.011
+ATOM     10  CA  ALA     6      10.800 -10.002   0.136          0.008
+ATOM     11  CB  ALA     6      10.768 -10.012   0.902          0.007
+ATOM     12  CA  ALA     7       7.687 -11.579  -1.488          0.015
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.679          0.184
+ATOM     14  CA  ALA     8       9.516 -12.500  -4.648          0.047
+ATOM     15  CB  ALA     8       9.437 -13.182  -4.803          0.020
+ATOM     16  CA  ALA     9       8.486  -9.939  -7.206          0.001
+ATOM     17  CB  ALA     9       7.794  -9.905  -7.480          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.421          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.081  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.715  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.306  -0.800          0.000
+ATOM     27  CB  CYS    14      13.227  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.528          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.334          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.276   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.49                                       ENERGY     1.56742E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.187  -0.007   0.194          0.020
+ATOM      2  CA  ALA     2       3.958  -0.113   0.050          0.194
+ATOM      3  CB  ALA     2       4.453   0.241   0.634          0.060
+ATOM      4  CA  ALA     3       4.093  -3.913  -0.164          0.034
+ATOM      5  CB  ALA     3       3.366  -3.573  -0.418          0.007
+ATOM      6  CA  ALA     4       7.212  -5.831   0.825          0.099
+ATOM      7  CB  ALA     4       7.100  -6.501   1.387          0.270
+ATOM      8  CA  CYS     5      10.206  -6.654  -1.608          0.018
+ATOM      9  CB  CYS     5      11.054  -5.796  -1.995          0.012
+ATOM     10  CA  ALA     6      10.800 -10.003   0.135          0.008
+ATOM     11  CB  ALA     6      10.768 -10.012   0.902          0.007
+ATOM     12  CA  ALA     7       7.687 -11.579  -1.487          0.015
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.679          0.181
+ATOM     14  CA  ALA     8       9.516 -12.501  -4.649          0.047
+ATOM     15  CB  ALA     8       9.437 -13.183  -4.804          0.020
+ATOM     16  CA  ALA     9       8.486  -9.939  -7.205          0.001
+ATOM     17  CB  ALA     9       7.794  -9.905  -7.480          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.421          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.081  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.715  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.306  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.528          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.334          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.276   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.49                                       ENERGY     1.55708E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.186  -0.007   0.194          0.019
+ATOM      2  CA  ALA     2       3.958  -0.114   0.050          0.195
+ATOM      3  CB  ALA     2       4.453   0.240   0.633          0.061
+ATOM      4  CA  ALA     3       4.095  -3.913  -0.163          0.035
+ATOM      5  CB  ALA     3       3.366  -3.573  -0.418          0.008
+ATOM      6  CA  ALA     4       7.212  -5.832   0.824          0.099
+ATOM      7  CB  ALA     4       7.100  -6.500   1.386          0.271
+ATOM      8  CA  CYS     5      10.205  -6.654  -1.607          0.019
+ATOM      9  CB  CYS     5      11.054  -5.796  -1.995          0.012
+ATOM     10  CA  ALA     6      10.799 -10.003   0.135          0.008
+ATOM     11  CB  ALA     6      10.768 -10.012   0.902          0.007
+ATOM     12  CA  ALA     7       7.687 -11.578  -1.486          0.015
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.678          0.177
+ATOM     14  CA  ALA     8       9.516 -12.501  -4.650          0.047
+ATOM     15  CB  ALA     8       9.437 -13.183  -4.804          0.020
+ATOM     16  CA  ALA     9       8.486  -9.939  -7.205          0.001
+ATOM     17  CB  ALA     9       7.794  -9.905  -7.480          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.421          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.081  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.715  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.306  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.528          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.276   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.49                                       ENERGY     1.54720E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.186  -0.007   0.194          0.019
+ATOM      2  CA  ALA     2       3.958  -0.115   0.050          0.196
+ATOM      3  CB  ALA     2       4.453   0.240   0.633          0.061
+ATOM      4  CA  ALA     3       4.096  -3.912  -0.163          0.036
+ATOM      5  CB  ALA     3       3.365  -3.573  -0.418          0.008
+ATOM      6  CA  ALA     4       7.211  -5.832   0.823          0.098
+ATOM      7  CB  ALA     4       7.100  -6.500   1.385          0.272
+ATOM      8  CA  CYS     5      10.205  -6.654  -1.607          0.019
+ATOM      9  CB  CYS     5      11.054  -5.796  -1.994          0.012
+ATOM     10  CA  ALA     6      10.799 -10.004   0.134          0.008
+ATOM     11  CB  ALA     6      10.768 -10.013   0.902          0.007
+ATOM     12  CA  ALA     7       7.687 -11.578  -1.486          0.015
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.677          0.174
+ATOM     14  CA  ALA     8       9.517 -12.501  -4.651          0.046
+ATOM     15  CB  ALA     8       9.437 -13.183  -4.804          0.020
+ATOM     16  CA  ALA     9       8.486  -9.939  -7.205          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.480          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.421          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.081  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.715  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.528          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.276   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.49                                       ENERGY     1.53779E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.186  -0.006   0.194          0.019
+ATOM      2  CA  ALA     2       3.958  -0.115   0.050          0.196
+ATOM      3  CB  ALA     2       4.453   0.240   0.633          0.061
+ATOM      4  CA  ALA     3       4.097  -3.912  -0.162          0.037
+ATOM      5  CB  ALA     3       3.365  -3.573  -0.418          0.009
+ATOM      6  CA  ALA     4       7.210  -5.832   0.822          0.097
+ATOM      7  CB  ALA     4       7.100  -6.499   1.385          0.273
+ATOM      8  CA  CYS     5      10.204  -6.653  -1.606          0.019
+ATOM      9  CB  CYS     5      11.054  -5.796  -1.994          0.012
+ATOM     10  CA  ALA     6      10.799 -10.004   0.134          0.008
+ATOM     11  CB  ALA     6      10.768 -10.013   0.902          0.007
+ATOM     12  CA  ALA     7       7.686 -11.577  -1.485          0.014
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.676          0.171
+ATOM     14  CA  ALA     8       9.517 -12.502  -4.651          0.046
+ATOM     15  CB  ALA     8       9.438 -13.183  -4.804          0.020
+ATOM     16  CA  ALA     9       8.485  -9.939  -7.205          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.480          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.421          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.081  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.528          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.276   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.49                                       ENERGY     1.52884E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.185  -0.006   0.194          0.019
+ATOM      2  CA  ALA     2       3.958  -0.116   0.050          0.197
+ATOM      3  CB  ALA     2       4.452   0.239   0.633          0.062
+ATOM      4  CA  ALA     3       4.099  -3.911  -0.161          0.038
+ATOM      5  CB  ALA     3       3.365  -3.573  -0.418          0.010
+ATOM      6  CA  ALA     4       7.210  -5.833   0.821          0.096
+ATOM      7  CB  ALA     4       7.100  -6.498   1.384          0.274
+ATOM      8  CA  CYS     5      10.204  -6.653  -1.605          0.019
+ATOM      9  CB  CYS     5      11.054  -5.796  -1.994          0.012
+ATOM     10  CA  ALA     6      10.799 -10.005   0.133          0.008
+ATOM     11  CB  ALA     6      10.768 -10.013   0.902          0.008
+ATOM     12  CA  ALA     7       7.686 -11.576  -1.485          0.014
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.676          0.168
+ATOM     14  CA  ALA     8       9.518 -12.502  -4.652          0.046
+ATOM     15  CB  ALA     8       9.438 -13.183  -4.804          0.020
+ATOM     16  CA  ALA     9       8.485  -9.939  -7.205          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.480          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.421          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.081  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.276   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.50                                       ENERGY     1.52034E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.185  -0.006   0.194          0.018
+ATOM      2  CA  ALA     2       3.958  -0.117   0.050          0.198
+ATOM      3  CB  ALA     2       4.452   0.239   0.632          0.062
+ATOM      4  CA  ALA     3       4.100  -3.911  -0.161          0.038
+ATOM      5  CB  ALA     3       3.365  -3.573  -0.418          0.010
+ATOM      6  CA  ALA     4       7.209  -5.833   0.821          0.095
+ATOM      7  CB  ALA     4       7.100  -6.498   1.383          0.274
+ATOM      8  CA  CYS     5      10.204  -6.652  -1.605          0.019
+ATOM      9  CB  CYS     5      11.054  -5.796  -1.994          0.012
+ATOM     10  CA  ALA     6      10.799 -10.005   0.133          0.008
+ATOM     11  CB  ALA     6      10.768 -10.013   0.902          0.008
+ATOM     12  CA  ALA     7       7.686 -11.576  -1.484          0.014
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.675          0.165
+ATOM     14  CA  ALA     8       9.518 -12.502  -4.653          0.046
+ATOM     15  CB  ALA     8       9.438 -13.183  -4.805          0.020
+ATOM     16  CA  ALA     9       8.485  -9.939  -7.205          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.480          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.421          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.081  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.50                                       ENERGY     1.51231E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.185  -0.006   0.194          0.018
+ATOM      2  CA  ALA     2       3.959  -0.117   0.050          0.198
+ATOM      3  CB  ALA     2       4.452   0.239   0.632          0.063
+ATOM      4  CA  ALA     3       4.101  -3.910  -0.160          0.039
+ATOM      5  CB  ALA     3       3.365  -3.573  -0.418          0.011
+ATOM      6  CA  ALA     4       7.208  -5.834   0.820          0.095
+ATOM      7  CB  ALA     4       7.100  -6.497   1.383          0.275
+ATOM      8  CA  CYS     5      10.203  -6.652  -1.604          0.020
+ATOM      9  CB  CYS     5      11.054  -5.796  -1.994          0.012
+ATOM     10  CA  ALA     6      10.799 -10.006   0.132          0.008
+ATOM     11  CB  ALA     6      10.768 -10.013   0.902          0.008
+ATOM     12  CA  ALA     7       7.686 -11.575  -1.483          0.013
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.674          0.162
+ATOM     14  CA  ALA     8       9.519 -12.502  -4.654          0.046
+ATOM     15  CB  ALA     8       9.438 -13.183  -4.805          0.020
+ATOM     16  CA  ALA     9       8.485  -9.939  -7.205          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.480          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.421          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.50                                       ENERGY     1.50473E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.184  -0.005   0.194          0.018
+ATOM      2  CA  ALA     2       3.959  -0.118   0.050          0.199
+ATOM      3  CB  ALA     2       4.452   0.239   0.632          0.063
+ATOM      4  CA  ALA     3       4.103  -3.909  -0.159          0.040
+ATOM      5  CB  ALA     3       3.365  -3.573  -0.418          0.012
+ATOM      6  CA  ALA     4       7.208  -5.834   0.819          0.094
+ATOM      7  CB  ALA     4       7.101  -6.496   1.382          0.276
+ATOM      8  CA  CYS     5      10.203  -6.652  -1.603          0.020
+ATOM      9  CB  CYS     5      11.053  -5.796  -1.993          0.012
+ATOM     10  CA  ALA     6      10.799 -10.006   0.132          0.008
+ATOM     11  CB  ALA     6      10.768 -10.013   0.902          0.008
+ATOM     12  CA  ALA     7       7.686 -11.575  -1.483          0.013
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.673          0.159
+ATOM     14  CA  ALA     8       9.519 -12.503  -4.654          0.046
+ATOM     15  CB  ALA     8       9.438 -13.183  -4.805          0.020
+ATOM     16  CA  ALA     9       8.485  -9.939  -7.205          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.449  -6.737  -9.421          0.000
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.50                                       ENERGY     1.49761E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.184  -0.005   0.194          0.018
+ATOM      2  CA  ALA     2       3.959  -0.119   0.050          0.200
+ATOM      3  CB  ALA     2       4.452   0.238   0.632          0.063
+ATOM      4  CA  ALA     3       4.104  -3.909  -0.159          0.041
+ATOM      5  CB  ALA     3       3.365  -3.573  -0.418          0.013
+ATOM      6  CA  ALA     4       7.207  -5.834   0.818          0.093
+ATOM      7  CB  ALA     4       7.101  -6.496   1.381          0.277
+ATOM      8  CA  CYS     5      10.202  -6.651  -1.603          0.020
+ATOM      9  CB  CYS     5      11.053  -5.796  -1.993          0.013
+ATOM     10  CA  ALA     6      10.799 -10.006   0.131          0.008
+ATOM     11  CB  ALA     6      10.768 -10.014   0.902          0.008
+ATOM     12  CA  ALA     7       7.685 -11.574  -1.482          0.013
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.673          0.157
+ATOM     14  CA  ALA     8       9.519 -12.503  -4.655          0.045
+ATOM     15  CB  ALA     8       9.438 -13.184  -4.805          0.020
+ATOM     16  CA  ALA     9       8.485  -9.939  -7.205          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.407          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.50                                       ENERGY     1.49094E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.184  -0.005   0.194          0.017
+ATOM      2  CA  ALA     2       3.959  -0.119   0.050          0.200
+ATOM      3  CB  ALA     2       4.451   0.238   0.631          0.064
+ATOM      4  CA  ALA     3       4.106  -3.908  -0.158          0.042
+ATOM      5  CB  ALA     3       3.364  -3.573  -0.418          0.014
+ATOM      6  CA  ALA     4       7.206  -5.835   0.817          0.092
+ATOM      7  CB  ALA     4       7.101  -6.495   1.380          0.278
+ATOM      8  CA  CYS     5      10.202  -6.651  -1.602          0.020
+ATOM      9  CB  CYS     5      11.053  -5.796  -1.993          0.013
+ATOM     10  CA  ALA     6      10.799 -10.007   0.131          0.008
+ATOM     11  CB  ALA     6      10.768 -10.014   0.902          0.008
+ATOM     12  CA  ALA     7       7.685 -11.573  -1.482          0.013
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.672          0.154
+ATOM     14  CA  ALA     8       9.520 -12.503  -4.656          0.045
+ATOM     15  CB  ALA     8       9.438 -13.184  -4.805          0.020
+ATOM     16  CA  ALA     9       8.485  -9.939  -7.204          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.50                                       ENERGY     1.48472E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.183  -0.005   0.194          0.017
+ATOM      2  CA  ALA     2       3.959  -0.120   0.050          0.201
+ATOM      3  CB  ALA     2       4.451   0.238   0.631          0.064
+ATOM      4  CA  ALA     3       4.107  -3.908  -0.157          0.043
+ATOM      5  CB  ALA     3       3.364  -3.573  -0.417          0.015
+ATOM      6  CA  ALA     4       7.205  -5.835   0.817          0.092
+ATOM      7  CB  ALA     4       7.101  -6.495   1.380          0.279
+ATOM      8  CA  CYS     5      10.201  -6.650  -1.601          0.020
+ATOM      9  CB  CYS     5      11.053  -5.796  -1.993          0.013
+ATOM     10  CA  ALA     6      10.799 -10.007   0.130          0.008
+ATOM     11  CB  ALA     6      10.768 -10.014   0.902          0.008
+ATOM     12  CA  ALA     7       7.685 -11.573  -1.481          0.012
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.671          0.151
+ATOM     14  CA  ALA     8       9.520 -12.503  -4.657          0.045
+ATOM     15  CB  ALA     8       9.438 -13.184  -4.806          0.020
+ATOM     16  CA  ALA     9       8.485  -9.939  -7.204          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.51                                       ENERGY     1.47896E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.183  -0.004   0.194          0.017
+ATOM      2  CA  ALA     2       3.959  -0.121   0.050          0.201
+ATOM      3  CB  ALA     2       4.451   0.237   0.631          0.065
+ATOM      4  CA  ALA     3       4.108  -3.907  -0.157          0.043
+ATOM      5  CB  ALA     3       3.364  -3.574  -0.417          0.016
+ATOM      6  CA  ALA     4       7.205  -5.835   0.816          0.091
+ATOM      7  CB  ALA     4       7.101  -6.494   1.379          0.280
+ATOM      8  CA  CYS     5      10.201  -6.650  -1.601          0.021
+ATOM      9  CB  CYS     5      11.053  -5.796  -1.993          0.013
+ATOM     10  CA  ALA     6      10.799 -10.008   0.130          0.008
+ATOM     11  CB  ALA     6      10.768 -10.014   0.902          0.008
+ATOM     12  CA  ALA     7       7.685 -11.572  -1.480          0.012
+ATOM     13  CB  ALA     7       7.532 -11.150  -0.670          0.148
+ATOM     14  CA  ALA     8       9.521 -12.504  -4.658          0.045
+ATOM     15  CB  ALA     8       9.438 -13.184  -4.806          0.020
+ATOM     16  CA  ALA     9       8.485  -9.939  -7.204          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.51                                       ENERGY     1.47364E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.183  -0.004   0.194          0.017
+ATOM      2  CA  ALA     2       3.959  -0.121   0.050          0.202
+ATOM      3  CB  ALA     2       4.451   0.237   0.631          0.065
+ATOM      4  CA  ALA     3       4.110  -3.907  -0.156          0.044
+ATOM      5  CB  ALA     3       3.364  -3.574  -0.417          0.017
+ATOM      6  CA  ALA     4       7.204  -5.836   0.815          0.090
+ATOM      7  CB  ALA     4       7.101  -6.493   1.378          0.281
+ATOM      8  CA  CYS     5      10.201  -6.650  -1.600          0.021
+ATOM      9  CB  CYS     5      11.053  -5.796  -1.993          0.013
+ATOM     10  CA  ALA     6      10.799 -10.008   0.129          0.008
+ATOM     11  CB  ALA     6      10.768 -10.014   0.902          0.008
+ATOM     12  CA  ALA     7       7.685 -11.572  -1.480          0.012
+ATOM     13  CB  ALA     7       7.532 -11.151  -0.670          0.146
+ATOM     14  CA  ALA     8       9.521 -12.504  -4.658          0.045
+ATOM     15  CB  ALA     8       9.438 -13.184  -4.806          0.020
+ATOM     16  CA  ALA     9       8.485  -9.938  -7.204          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.625  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.51                                       ENERGY     1.46877E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.182  -0.004   0.194          0.016
+ATOM      2  CA  ALA     2       3.959  -0.122   0.050          0.202
+ATOM      3  CB  ALA     2       4.451   0.237   0.630          0.066
+ATOM      4  CA  ALA     3       4.111  -3.906  -0.155          0.045
+ATOM      5  CB  ALA     3       3.364  -3.574  -0.417          0.018
+ATOM      6  CA  ALA     4       7.204  -5.836   0.814          0.089
+ATOM      7  CB  ALA     4       7.101  -6.493   1.378          0.282
+ATOM      8  CA  CYS     5      10.200  -6.649  -1.599          0.021
+ATOM      9  CB  CYS     5      11.053  -5.795  -1.992          0.013
+ATOM     10  CA  ALA     6      10.799 -10.009   0.129          0.008
+ATOM     11  CB  ALA     6      10.768 -10.014   0.902          0.008
+ATOM     12  CA  ALA     7       7.684 -11.571  -1.479          0.012
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.669          0.143
+ATOM     14  CA  ALA     8       9.521 -12.504  -4.659          0.045
+ATOM     15  CB  ALA     8       9.439 -13.184  -4.806          0.020
+ATOM     16  CA  ALA     9       8.485  -9.938  -7.204          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.51                                       ENERGY     1.46434E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.182  -0.004   0.194          0.016
+ATOM      2  CA  ALA     2       3.959  -0.123   0.050          0.202
+ATOM      3  CB  ALA     2       4.450   0.236   0.630          0.066
+ATOM      4  CA  ALA     3       4.113  -3.906  -0.155          0.046
+ATOM      5  CB  ALA     3       3.363  -3.574  -0.417          0.019
+ATOM      6  CA  ALA     4       7.203  -5.837   0.813          0.089
+ATOM      7  CB  ALA     4       7.101  -6.492   1.377          0.283
+ATOM      8  CA  CYS     5      10.200  -6.649  -1.599          0.021
+ATOM      9  CB  CYS     5      11.053  -5.795  -1.992          0.013
+ATOM     10  CA  ALA     6      10.799 -10.009   0.128          0.008
+ATOM     11  CB  ALA     6      10.768 -10.014   0.901          0.008
+ATOM     12  CA  ALA     7       7.684 -11.570  -1.478          0.012
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.668          0.141
+ATOM     14  CA  ALA     8       9.522 -12.505  -4.660          0.044
+ATOM     15  CB  ALA     8       9.439 -13.184  -4.806          0.020
+ATOM     16  CA  ALA     9       8.485  -9.938  -7.204          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.51                                       ENERGY     1.46036E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.182  -0.003   0.194          0.016
+ATOM      2  CA  ALA     2       3.960  -0.123   0.050          0.203
+ATOM      3  CB  ALA     2       4.450   0.236   0.630          0.067
+ATOM      4  CA  ALA     3       4.114  -3.905  -0.154          0.047
+ATOM      5  CB  ALA     3       3.363  -3.574  -0.417          0.020
+ATOM      6  CA  ALA     4       7.202  -5.837   0.813          0.088
+ATOM      7  CB  ALA     4       7.101  -6.491   1.376          0.284
+ATOM      8  CA  CYS     5      10.199  -6.648  -1.598          0.021
+ATOM      9  CB  CYS     5      11.053  -5.795  -1.992          0.013
+ATOM     10  CA  ALA     6      10.799 -10.009   0.128          0.008
+ATOM     11  CB  ALA     6      10.768 -10.015   0.901          0.008
+ATOM     12  CA  ALA     7       7.684 -11.570  -1.478          0.011
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.668          0.138
+ATOM     14  CA  ALA     8       9.522 -12.505  -4.661          0.044
+ATOM     15  CB  ALA     8       9.439 -13.185  -4.807          0.020
+ATOM     16  CA  ALA     9       8.485  -9.938  -7.204          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.52                                       ENERGY     1.45682E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.182  -0.003   0.194          0.016
+ATOM      2  CA  ALA     2       3.960  -0.124   0.050          0.203
+ATOM      3  CB  ALA     2       4.450   0.236   0.629          0.067
+ATOM      4  CA  ALA     3       4.115  -3.904  -0.153          0.048
+ATOM      5  CB  ALA     3       3.363  -3.574  -0.417          0.022
+ATOM      6  CA  ALA     4       7.202  -5.838   0.812          0.087
+ATOM      7  CB  ALA     4       7.101  -6.491   1.375          0.286
+ATOM      8  CA  CYS     5      10.199  -6.648  -1.597          0.022
+ATOM      9  CB  CYS     5      11.053  -5.795  -1.992          0.014
+ATOM     10  CA  ALA     6      10.799 -10.010   0.127          0.008
+ATOM     11  CB  ALA     6      10.768 -10.015   0.901          0.008
+ATOM     12  CA  ALA     7       7.684 -11.569  -1.477          0.011
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.667          0.136
+ATOM     14  CA  ALA     8       9.523 -12.505  -4.661          0.044
+ATOM     15  CB  ALA     8       9.439 -13.185  -4.807          0.020
+ATOM     16  CA  ALA     9       8.485  -9.938  -7.204          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.52                                       ENERGY     1.45373E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.181  -0.003   0.194          0.015
+ATOM      2  CA  ALA     2       3.960  -0.125   0.050          0.204
+ATOM      3  CB  ALA     2       4.450   0.235   0.629          0.067
+ATOM      4  CA  ALA     3       4.117  -3.904  -0.153          0.048
+ATOM      5  CB  ALA     3       3.363  -3.574  -0.417          0.023
+ATOM      6  CA  ALA     4       7.201  -5.838   0.811          0.086
+ATOM      7  CB  ALA     4       7.102  -6.490   1.375          0.287
+ATOM      8  CA  CYS     5      10.198  -6.648  -1.597          0.022
+ATOM      9  CB  CYS     5      11.053  -5.795  -1.992          0.014
+ATOM     10  CA  ALA     6      10.799 -10.010   0.127          0.008
+ATOM     11  CB  ALA     6      10.768 -10.015   0.901          0.008
+ATOM     12  CA  ALA     7       7.684 -11.569  -1.476          0.011
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.666          0.133
+ATOM     14  CA  ALA     8       9.523 -12.505  -4.662          0.044
+ATOM     15  CB  ALA     8       9.439 -13.185  -4.807          0.021
+ATOM     16  CA  ALA     9       8.484  -9.938  -7.204          0.001
+ATOM     17  CB  ALA     9       7.793  -9.905  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.065  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.779  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.761   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.52                                       ENERGY     1.45107E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.181  -0.003   0.194          0.015
+ATOM      2  CA  ALA     2       3.960  -0.125   0.050          0.204
+ATOM      3  CB  ALA     2       4.450   0.235   0.629          0.068
+ATOM      4  CA  ALA     3       4.118  -3.903  -0.152          0.049
+ATOM      5  CB  ALA     3       3.363  -3.574  -0.417          0.024
+ATOM      6  CA  ALA     4       7.200  -5.838   0.810          0.086
+ATOM      7  CB  ALA     4       7.102  -6.489   1.374          0.288
+ATOM      8  CA  CYS     5      10.198  -6.647  -1.596          0.022
+ATOM      9  CB  CYS     5      11.052  -5.795  -1.991          0.014
+ATOM     10  CA  ALA     6      10.799 -10.011   0.126          0.008
+ATOM     11  CB  ALA     6      10.768 -10.015   0.901          0.008
+ATOM     12  CA  ALA     7       7.683 -11.568  -1.476          0.011
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.666          0.131
+ATOM     14  CA  ALA     8       9.524 -12.506  -4.663          0.044
+ATOM     15  CB  ALA     8       9.439 -13.185  -4.807          0.021
+ATOM     16  CA  ALA     9       8.484  -9.938  -7.204          0.001
+ATOM     17  CB  ALA     9       7.793  -9.904  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.066  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.780  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.866          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.760   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.52                                       ENERGY     1.44886E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.181  -0.003   0.194          0.015
+ATOM      2  CA  ALA     2       3.960  -0.126   0.050          0.204
+ATOM      3  CB  ALA     2       4.449   0.235   0.629          0.068
+ATOM      4  CA  ALA     3       4.119  -3.903  -0.151          0.050
+ATOM      5  CB  ALA     3       3.362  -3.574  -0.417          0.025
+ATOM      6  CA  ALA     4       7.200  -5.839   0.809          0.085
+ATOM      7  CB  ALA     4       7.102  -6.489   1.373          0.289
+ATOM      8  CA  CYS     5      10.197  -6.647  -1.595          0.022
+ATOM      9  CB  CYS     5      11.052  -5.795  -1.991          0.014
+ATOM     10  CA  ALA     6      10.799 -10.011   0.126          0.008
+ATOM     11  CB  ALA     6      10.768 -10.015   0.901          0.008
+ATOM     12  CA  ALA     7       7.683 -11.568  -1.475          0.010
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.665          0.128
+ATOM     14  CA  ALA     8       9.524 -12.506  -4.664          0.044
+ATOM     15  CB  ALA     8       9.439 -13.185  -4.807          0.021
+ATOM     16  CA  ALA     9       8.484  -9.938  -7.203          0.001
+ATOM     17  CB  ALA     9       7.793  -9.904  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.066  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.780  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.867          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.760   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.52                                       ENERGY     1.44708E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.180  -0.002   0.194          0.015
+ATOM      2  CA  ALA     2       3.960  -0.127   0.050          0.205
+ATOM      3  CB  ALA     2       4.449   0.234   0.628          0.069
+ATOM      4  CA  ALA     3       4.121  -3.902  -0.151          0.051
+ATOM      5  CB  ALA     3       3.362  -3.574  -0.417          0.026
+ATOM      6  CA  ALA     4       7.199  -5.839   0.809          0.084
+ATOM      7  CB  ALA     4       7.102  -6.488   1.372          0.291
+ATOM      8  CA  CYS     5      10.197  -6.646  -1.595          0.022
+ATOM      9  CB  CYS     5      11.052  -5.795  -1.991          0.014
+ATOM     10  CA  ALA     6      10.799 -10.012   0.125          0.008
+ATOM     11  CB  ALA     6      10.768 -10.015   0.901          0.008
+ATOM     12  CA  ALA     7       7.683 -11.567  -1.474          0.010
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.664          0.126
+ATOM     14  CA  ALA     8       9.524 -12.506  -4.664          0.043
+ATOM     15  CB  ALA     8       9.439 -13.185  -4.808          0.021
+ATOM     16  CA  ALA     9       8.484  -9.938  -7.203          0.001
+ATOM     17  CB  ALA     9       7.793  -9.904  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.066  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.780  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.867          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.760   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.52                                       ENERGY     1.44574E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.180  -0.002   0.194          0.015
+ATOM      2  CA  ALA     2       3.960  -0.127   0.050          0.205
+ATOM      3  CB  ALA     2       4.449   0.234   0.628          0.070
+ATOM      4  CA  ALA     3       4.122  -3.902  -0.150          0.052
+ATOM      5  CB  ALA     3       3.362  -3.575  -0.417          0.027
+ATOM      6  CA  ALA     4       7.199  -5.840   0.808          0.084
+ATOM      7  CB  ALA     4       7.102  -6.488   1.372          0.292
+ATOM      8  CA  CYS     5      10.196  -6.646  -1.594          0.023
+ATOM      9  CB  CYS     5      11.052  -5.795  -1.991          0.014
+ATOM     10  CA  ALA     6      10.799 -10.012   0.125          0.008
+ATOM     11  CB  ALA     6      10.768 -10.016   0.901          0.008
+ATOM     12  CA  ALA     7       7.683 -11.566  -1.474          0.010
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.664          0.124
+ATOM     14  CA  ALA     8       9.525 -12.506  -4.665          0.043
+ATOM     15  CB  ALA     8       9.439 -13.185  -4.808          0.021
+ATOM     16  CA  ALA     9       8.484  -9.938  -7.203          0.001
+ATOM     17  CB  ALA     9       7.793  -9.904  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.066  -7.024          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.780  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.867          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.760   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.53                                       ENERGY     1.44483E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.180  -0.002   0.194          0.014
+ATOM      2  CA  ALA     2       3.961  -0.128   0.050          0.205
+ATOM      3  CB  ALA     2       4.449   0.234   0.628          0.070
+ATOM      4  CA  ALA     3       4.124  -3.901  -0.149          0.052
+ATOM      5  CB  ALA     3       3.361  -3.575  -0.416          0.028
+ATOM      6  CA  ALA     4       7.198  -5.840   0.807          0.083
+ATOM      7  CB  ALA     4       7.102  -6.487   1.371          0.293
+ATOM      8  CA  CYS     5      10.196  -6.646  -1.593          0.023
+ATOM      9  CB  CYS     5      11.052  -5.795  -1.991          0.014
+ATOM     10  CA  ALA     6      10.799 -10.012   0.125          0.008
+ATOM     11  CB  ALA     6      10.768 -10.016   0.901          0.008
+ATOM     12  CA  ALA     7       7.683 -11.566  -1.473          0.010
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.663          0.122
+ATOM     14  CA  ALA     8       9.525 -12.507  -4.666          0.043
+ATOM     15  CB  ALA     8       9.439 -13.185  -4.808          0.021
+ATOM     16  CA  ALA     9       8.484  -9.938  -7.203          0.001
+ATOM     17  CB  ALA     9       7.793  -9.904  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.066  -7.025          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.780  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.867          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.760   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.53                                       ENERGY     1.44436E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.179  -0.002   0.194          0.014
+ATOM      2  CA  ALA     2       3.961  -0.128   0.050          0.205
+ATOM      3  CB  ALA     2       4.449   0.233   0.628          0.071
+ATOM      4  CA  ALA     3       4.125  -3.900  -0.149          0.053
+ATOM      5  CB  ALA     3       3.361  -3.575  -0.416          0.030
+ATOM      6  CA  ALA     4       7.198  -5.841   0.806          0.082
+ATOM      7  CB  ALA     4       7.102  -6.486   1.370          0.295
+ATOM      8  CA  CYS     5      10.196  -6.645  -1.593          0.023
+ATOM      9  CB  CYS     5      11.052  -5.795  -1.991          0.015
+ATOM     10  CA  ALA     6      10.799 -10.013   0.124          0.008
+ATOM     11  CB  ALA     6      10.768 -10.016   0.901          0.008
+ATOM     12  CA  ALA     7       7.682 -11.565  -1.472          0.009
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.662          0.119
+ATOM     14  CA  ALA     8       9.526 -12.507  -4.666          0.043
+ATOM     15  CB  ALA     8       9.440 -13.186  -4.808          0.021
+ATOM     16  CA  ALA     9       8.484  -9.938  -7.203          0.001
+ATOM     17  CB  ALA     9       7.793  -9.904  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.066  -7.025          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.780  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.867          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.760   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.53                                       ENERGY     1.44433E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.179  -0.001   0.194          0.014
+ATOM      2  CA  ALA     2       3.961  -0.129   0.050          0.206
+ATOM      3  CB  ALA     2       4.448   0.233   0.627          0.071
+ATOM      4  CA  ALA     3       4.126  -3.900  -0.148          0.054
+ATOM      5  CB  ALA     3       3.361  -3.575  -0.416          0.031
+ATOM      6  CA  ALA     4       7.197  -5.841   0.806          0.082
+ATOM      7  CB  ALA     4       7.102  -6.486   1.369          0.296
+ATOM      8  CA  CYS     5      10.195  -6.645  -1.592          0.023
+ATOM      9  CB  CYS     5      11.052  -5.795  -1.990          0.015
+ATOM     10  CA  ALA     6      10.798 -10.013   0.124          0.008
+ATOM     11  CB  ALA     6      10.768 -10.016   0.901          0.009
+ATOM     12  CA  ALA     7       7.682 -11.565  -1.472          0.009
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.662          0.117
+ATOM     14  CA  ALA     8       9.526 -12.507  -4.667          0.043
+ATOM     15  CB  ALA     8       9.440 -13.186  -4.808          0.021
+ATOM     16  CA  ALA     9       8.484  -9.938  -7.203          0.001
+ATOM     17  CB  ALA     9       7.793  -9.904  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.066  -7.025          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.780  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.867          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.704          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.760   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.53                                       ENERGY     1.44472E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.179  -0.001   0.194          0.014
+ATOM      2  CA  ALA     2       3.961  -0.130   0.050          0.206
+ATOM      3  CB  ALA     2       4.448   0.233   0.627          0.072
+ATOM      4  CA  ALA     3       4.128  -3.899  -0.148          0.055
+ATOM      5  CB  ALA     3       3.361  -3.575  -0.416          0.032
+ATOM      6  CA  ALA     4       7.196  -5.841   0.805          0.081
+ATOM      7  CB  ALA     4       7.102  -6.485   1.369          0.298
+ATOM      8  CA  CYS     5      10.195  -6.644  -1.591          0.024
+ATOM      9  CB  CYS     5      11.052  -5.795  -1.990          0.015
+ATOM     10  CA  ALA     6      10.798 -10.014   0.123          0.008
+ATOM     11  CB  ALA     6      10.768 -10.016   0.901          0.009
+ATOM     12  CA  ALA     7       7.682 -11.564  -1.471          0.009
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.661          0.115
+ATOM     14  CA  ALA     8       9.526 -12.507  -4.668          0.043
+ATOM     15  CB  ALA     8       9.440 -13.186  -4.809          0.021
+ATOM     16  CA  ALA     9       8.484  -9.938  -7.203          0.001
+ATOM     17  CB  ALA     9       7.793  -9.904  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.066  -7.025          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.780  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.867          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.705          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.760   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.53                                       ENERGY     1.44556E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.178  -0.001   0.194          0.013
+ATOM      2  CA  ALA     2       3.961  -0.130   0.050          0.206
+ATOM      3  CB  ALA     2       4.448   0.232   0.627          0.072
+ATOM      4  CA  ALA     3       4.129  -3.899  -0.147          0.055
+ATOM      5  CB  ALA     3       3.360  -3.575  -0.416          0.033
+ATOM      6  CA  ALA     4       7.196  -5.842   0.804          0.081
+ATOM      7  CB  ALA     4       7.103  -6.484   1.368          0.300
+ATOM      8  CA  CYS     5      10.194  -6.644  -1.590          0.024
+ATOM      9  CB  CYS     5      11.052  -5.795  -1.990          0.015
+ATOM     10  CA  ALA     6      10.798 -10.014   0.123          0.008
+ATOM     11  CB  ALA     6      10.768 -10.016   0.901          0.009
+ATOM     12  CA  ALA     7       7.682 -11.564  -1.470          0.008
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.661          0.113
+ATOM     14  CA  ALA     8       9.527 -12.508  -4.669          0.042
+ATOM     15  CB  ALA     8       9.440 -13.186  -4.809          0.021
+ATOM     16  CA  ALA     9       8.484  -9.937  -7.203          0.001
+ATOM     17  CB  ALA     9       7.793  -9.904  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.066  -7.025          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.780  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.867          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.705          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.839          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.760   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.54                                       ENERGY     1.44683E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.178  -0.001   0.194          0.013
+ATOM      2  CA  ALA     2       3.961  -0.131   0.050          0.206
+ATOM      3  CB  ALA     2       4.448   0.232   0.626          0.073
+ATOM      4  CA  ALA     3       4.131  -3.898  -0.146          0.056
+ATOM      5  CB  ALA     3       3.360  -3.575  -0.416          0.034
+ATOM      6  CA  ALA     4       7.195  -5.842   0.803          0.080
+ATOM      7  CB  ALA     4       7.103  -6.484   1.367          0.301
+ATOM      8  CA  CYS     5      10.194  -6.644  -1.590          0.024
+ATOM      9  CB  CYS     5      11.051  -5.795  -1.990          0.015
+ATOM     10  CA  ALA     6      10.798 -10.014   0.122          0.008
+ATOM     11  CB  ALA     6      10.768 -10.017   0.901          0.009
+ATOM     12  CA  ALA     7       7.682 -11.563  -1.470          0.008
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.660          0.112
+ATOM     14  CA  ALA     8       9.527 -12.508  -4.669          0.042
+ATOM     15  CB  ALA     8       9.440 -13.186  -4.809          0.021
+ATOM     16  CA  ALA     9       8.484  -9.937  -7.203          0.001
+ATOM     17  CB  ALA     9       7.793  -9.904  -7.479          0.001
+ATOM     18  CA  ALA    10      10.968  -7.066  -7.025          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.780  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.867          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.705          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.838          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.760   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    2.54                                       ENERGY     1.44900E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.178  -0.001   0.194          0.013
+ATOM      2  CA  ALA     2       3.961  -0.132   0.050          0.207
+ATOM      3  CB  ALA     2       4.448   0.231   0.626          0.074
+ATOM      4  CA  ALA     3       4.132  -3.897  -0.145          0.057
+ATOM      5  CB  ALA     3       3.360  -3.575  -0.416          0.035
+ATOM      6  CA  ALA     4       7.195  -5.843   0.802          0.079
+ATOM      7  CB  ALA     4       7.103  -6.483   1.366          0.304
+ATOM      8  CA  CYS     5      10.193  -6.643  -1.589          0.025
+ATOM      9  CB  CYS     5      11.051  -5.795  -1.990          0.015
+ATOM     10  CA  ALA     6      10.798 -10.015   0.122          0.008
+ATOM     11  CB  ALA     6      10.768 -10.017   0.901          0.009
+ATOM     12  CA  ALA     7       7.681 -11.563  -1.469          0.008
+ATOM     13  CB  ALA     7       7.531 -11.151  -0.659          0.110
+ATOM     14  CA  ALA     8       9.528 -12.508  -4.670          0.042
+ATOM     15  CB  ALA     8       9.440 -13.186  -4.809          0.021
+ATOM     16  CA  ALA     9       8.484  -9.937  -7.203          0.001
+ATOM     17  CB  ALA     9       7.793  -9.904  -7.478          0.001
+ATOM     18  CA  ALA    10      10.968  -7.066  -7.025          0.000
+ATOM     19  CB  ALA    10      10.925  -6.608  -6.441          0.000
+ATOM     20  CA  ALA    11      14.371  -6.780  -8.689          0.000
+ATOM     21  CB  ALA    11      14.450  -6.737  -9.421          0.001
+ATOM     22  CA  ALA    12      14.883  -3.229  -7.406          0.000
+ATOM     23  CB  ALA    12      14.352  -2.815  -7.716          0.000
+ATOM     24  CA  ALA    13      16.082  -2.552  -3.867          0.000
+ATOM     25  CB  ALA    13      16.716  -2.208  -3.705          0.000
+ATOM     26  CA  CYS    14      13.850  -2.305  -0.800          0.000
+ATOM     27  CB  CYS    14      13.228  -3.381  -0.838          0.000
+ATOM     28  CA  ALA    15      16.624  -1.081   1.529          0.000
+ATOM     29  CB  ALA    15      17.291  -1.424   1.552          0.000
+ATOM     30  CA  ALA    16      17.615   2.501   2.333          0.000
+ATOM     31  CB  ALA    16      17.512   2.892   2.956          0.000
+ATOM     32  CA  ALA    17      20.539   4.450   0.885          0.000
+ATOM     33  CB  ALA    17      20.277   4.760   0.259          0.000
+ATOM     34  CA  GLY    18      20.507   7.009   3.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time    6.62                                       ENERGY     1.51268E+02
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.088   0.747   0.061          0.013
+ATOM      2  CA  ALA     2       3.594  -0.193   0.234          0.013
+ATOM      3  CB  ALA     2       4.237   0.243   0.312          0.016
+ATOM      4  CA  ALA     3       4.119  -3.953   0.202          0.026
+ATOM      5  CB  ALA     3       4.294  -4.350  -0.245          0.021
+ATOM      6  CA  ALA     4       7.465  -5.487   0.866          0.080
+ATOM      7  CB  ALA     4       7.015  -5.946   1.273          0.071
+ATOM      8  CA  CYS     5      10.027  -6.817  -1.585          0.075
+ATOM      9  CB  CYS     5      10.998  -6.012  -1.910          0.009
+ATOM     10  CA  ALA     6      10.767  -9.950   0.292          0.749
+ATOM     11  CB  ALA     6      11.214  -9.694   0.796          0.063
+ATOM     12  CA  ALA     7       7.645 -11.542  -0.903          1.291
+ATOM     13  CB  ALA     7       7.386 -11.642  -2.233          7.821
+ATOM     14  CA  ALA     8       9.413 -12.489  -4.629          0.008
+ATOM     15  CB  ALA     8       9.193 -13.283  -4.720          0.040
+ATOM     16  CA  ALA     9       8.601 -10.065  -7.323          0.020
+ATOM     17  CB  ALA     9       7.891  -9.869  -7.341          0.005
+ATOM     18  CA  ALA    10      10.943  -7.095  -7.106          0.004
+ATOM     19  CB  ALA    10      10.846  -6.619  -6.573          0.011
+ATOM     20  CA  ALA    11      14.394  -6.759  -8.780          0.003
+ATOM     21  CB  ALA    11      14.515  -6.734  -9.465          0.006
+ATOM     22  CA  ALA    12      14.885  -3.271  -7.413          0.000
+ATOM     23  CB  ALA    12      14.359  -2.782  -7.553          0.002
+ATOM     24  CA  ALA    13      16.174  -2.490  -3.923          0.002
+ATOM     25  CB  ALA    13      16.862  -2.220  -3.864          0.001
+ATOM     26  CA  CYS    14      13.858  -2.319  -0.876          0.000
+ATOM     27  CB  CYS    14      13.297  -3.382  -0.580          0.002
+ATOM     28  CA  ALA    15      16.535  -1.039   1.495          0.000
+ATOM     29  CB  ALA    15      17.114  -1.503   1.497          0.001
+ATOM     30  CA  ALA    16      17.636   2.483   2.392          0.000
+ATOM     31  CB  ALA    16      17.409   2.686   3.059          0.001
+ATOM     32  CA  ALA    17      20.453   4.488   0.806          0.000
+ATOM     33  CB  ALA    17      20.584   4.886   0.194          0.004
+ATOM     34  CA  GLY    18      20.473   6.976   3.677          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   11.01                                       ENERGY     4.64814E+03
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.110   0.864   0.126          0.001
+ATOM      2  CA  ALA     2       3.547  -0.151   0.132          0.001
+ATOM      3  CB  ALA     2       4.114   0.268   0.364          0.000
+ATOM      4  CA  ALA     3       4.078  -3.907   0.159          0.004
+ATOM      5  CB  ALA     3       4.209  -4.382  -0.386          0.001
+ATOM      6  CA  ALA     4       7.465  -5.477   0.962          0.101
+ATOM      7  CB  ALA     4       7.247  -5.924   1.459          0.006
+ATOM      8  CA  CYS     5      10.035  -6.880  -1.393          0.516
+ATOM      9  CB  CYS     5      11.018  -6.133  -1.818          0.003
+ATOM     10  CA  ALA     6       9.820 -10.191   0.140          6.043
+ATOM     11  CB  ALA     6       9.976 -10.216   0.589          0.185
+ATOM     12  CA  ALA     7       7.248 -12.268  -0.592          9.208
+ATOM     13  CB  ALA     7       6.877 -12.058  -5.468         54.349
+ATOM     14  CA  ALA     8      10.066 -12.204  -4.414          0.813
+ATOM     15  CB  ALA     8      10.329 -12.503  -3.836          0.156
+ATOM     16  CA  ALA     9       8.579  -9.681  -6.482          0.044
+ATOM     17  CB  ALA     9       9.019  -9.771  -6.994          0.125
+ATOM     18  CA  ALA    10      11.052  -6.910  -7.133          0.001
+ATOM     19  CB  ALA    10      10.906  -6.480  -6.584          0.034
+ATOM     20  CA  ALA    11      14.547  -6.716  -8.842          0.005
+ATOM     21  CB  ALA    11      14.582  -6.716  -9.562          0.007
+ATOM     22  CA  ALA    12      14.947  -3.237  -7.440          0.000
+ATOM     23  CB  ALA    12      14.384  -2.770  -7.581          0.001
+ATOM     24  CA  ALA    13      16.169  -2.511  -3.911          0.000
+ATOM     25  CB  ALA    13      16.844  -2.205  -3.830          0.000
+ATOM     26  CA  CYS    14      13.870  -2.334  -0.875          0.000
+ATOM     27  CB  CYS    14      13.276  -3.385  -0.591          0.000
+ATOM     28  CA  ALA    15      16.551  -1.063   1.509          0.000
+ATOM     29  CB  ALA    15      17.147  -1.506   1.502          0.000
+ATOM     30  CA  ALA    16      17.628   2.479   2.374          0.000
+ATOM     31  CB  ALA    16      17.415   2.733   3.038          0.000
+ATOM     32  CA  ALA    17      20.467   4.491   0.836          0.000
+ATOM     33  CB  ALA    17      20.560   4.859   0.198          0.000
+ATOM     34  CA  GLY    18      20.491   7.020   3.682          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   16.43                                       ENERGY     1.25196E+04
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.097   1.020   0.127          0.000
+ATOM      2  CA  ALA     2       3.446  -0.297   0.157          0.000
+ATOM      3  CB  ALA     2       3.993   0.163   0.389          0.001
+ATOM      4  CA  ALA     3       3.848  -4.051  -0.156          0.001
+ATOM      5  CB  ALA     3       4.943  -3.906  -0.439          0.004
+ATOM      6  CA  ALA     4       7.280  -5.291   1.167          0.006
+ATOM      7  CB  ALA     4       7.192  -5.798   1.732          0.007
+ATOM      8  CA  CYS     5       9.900  -6.685  -1.284          0.055
+ATOM      9  CB  CYS     5      10.968  -6.259  -1.658          0.005
+ATOM     10  CA  ALA     6       9.873 -10.050   0.246          0.243
+ATOM     11  CB  ALA     6       9.281 -10.623   0.606          0.037
+ATOM     12  CA  ALA     7       7.674 -12.869  -0.285          0.412
+ATOM     13  CB  ALA     7       7.431 -12.733  -8.053          0.565
+ATOM     14  CA  ALA     8       9.635 -11.834  -3.380          0.111
+ATOM     15  CB  ALA     8      10.320 -12.383  -3.606          0.032
+ATOM     16  CA  ALA     9       8.551  -9.620  -6.810          0.026
+ATOM     17  CB  ALA     9       8.988  -9.701  -7.284          0.011
+ATOM     18  CA  ALA    10      11.200  -6.884  -6.998          0.003
+ATOM     19  CB  ALA    10      11.166  -6.441  -6.448          0.002
+ATOM     20  CA  ALA    11      14.457  -6.671  -8.827          0.000
+ATOM     21  CB  ALA    11      14.561  -6.634  -9.561          0.000
+ATOM     22  CA  ALA    12      15.088  -3.144  -7.489          0.000
+ATOM     23  CB  ALA    12      14.509  -2.721  -7.653          0.000
+ATOM     24  CA  ALA    13      16.172  -2.540  -3.889          0.000
+ATOM     25  CB  ALA    13      16.831  -2.225  -3.793          0.000
+ATOM     26  CA  CYS    14      13.882  -2.355  -0.856          0.000
+ATOM     27  CB  CYS    14      13.237  -3.387  -0.618          0.000
+ATOM     28  CA  ALA    15      16.573  -1.064   1.516          0.000
+ATOM     29  CB  ALA    15      17.181  -1.491   1.518          0.000
+ATOM     30  CA  ALA    16      17.637   2.489   2.357          0.000
+ATOM     31  CB  ALA    16      17.418   2.772   3.005          0.000
+ATOM     32  CA  ALA    17      20.522   4.469   0.867          0.000
+ATOM     33  CB  ALA    17      20.495   4.837   0.223          0.000
+ATOM     34  CA  GLY    18      20.471   7.043   3.672          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   18.98                                       ENERGY     1.03472E+02
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.204   1.119   0.120          0.003
+ATOM      2  CA  ALA     2       3.357  -0.358   0.194          0.012
+ATOM      3  CB  ALA     2       3.935   0.100   0.441          0.007
+ATOM      4  CA  ALA     3       4.435  -3.805  -0.469          0.020
+ATOM      5  CB  ALA     3       4.789  -3.682  -0.665          0.142
+ATOM      6  CA  ALA     4       7.226  -5.505   1.340          0.096
+ATOM      7  CB  ALA     4       6.935  -5.913   2.035          0.004
+ATOM      8  CA  CYS     5       9.829  -6.726  -1.020          0.169
+ATOM      9  CB  CYS     5      11.022  -6.229  -1.538          0.008
+ATOM     10  CA  ALA     6       9.232 -10.502   0.050          0.059
+ATOM     11  CB  ALA     6       8.860 -10.920   0.394          0.073
+ATOM     12  CA  ALA     7       7.237 -12.498  -2.824          0.151
+ATOM     13  CB  ALA     7       7.405 -12.977  -3.000          0.243
+ATOM     14  CA  ALA     8      10.609 -11.562  -4.162          0.093
+ATOM     15  CB  ALA     8      11.006 -12.124  -3.872          0.028
+ATOM     16  CA  ALA     9       8.490  -9.672  -6.650          0.002
+ATOM     17  CB  ALA     9       8.878  -9.767  -7.337          0.005
+ATOM     18  CA  ALA    10      11.176  -6.931  -6.973          0.002
+ATOM     19  CB  ALA    10      11.175  -6.423  -6.395          0.001
+ATOM     20  CA  ALA    11      14.496  -6.647  -8.846          0.000
+ATOM     21  CB  ALA    11      14.551  -6.617  -9.594          0.000
+ATOM     22  CA  ALA    12      15.078  -3.143  -7.478          0.000
+ATOM     23  CB  ALA    12      14.518  -2.698  -7.673          0.000
+ATOM     24  CA  ALA    13      16.174  -2.551  -3.887          0.000
+ATOM     25  CB  ALA    13      16.836  -2.237  -3.786          0.000
+ATOM     26  CA  CYS    14      13.886  -2.357  -0.853          0.000
+ATOM     27  CB  CYS    14      13.229  -3.383  -0.627          0.000
+ATOM     28  CA  ALA    15      16.578  -1.066   1.518          0.000
+ATOM     29  CB  ALA    15      17.190  -1.488   1.522          0.000
+ATOM     30  CA  ALA    16      17.639   2.489   2.353          0.000
+ATOM     31  CB  ALA    16      17.419   2.774   3.001          0.000
+ATOM     32  CA  ALA    17      20.525   4.470   0.867          0.000
+ATOM     33  CB  ALA    17      20.499   4.837   0.222          0.000
+ATOM     34  CA  GLY    18      20.468   7.047   3.669          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   19.01                                       ENERGY     9.34633E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.205   1.119   0.120          0.005
+ATOM      2  CA  ALA     2       3.360  -0.354   0.196          0.008
+ATOM      3  CB  ALA     2       3.933   0.099   0.441          0.007
+ATOM      4  CA  ALA     3       4.433  -3.804  -0.474          0.019
+ATOM      5  CB  ALA     3       4.783  -3.679  -0.672          0.103
+ATOM      6  CA  ALA     4       7.232  -5.511   1.349          0.094
+ATOM      7  CB  ALA     4       6.937  -5.912   2.034          0.006
+ATOM      8  CA  CYS     5       9.830  -6.730  -1.017          0.171
+ATOM      9  CB  CYS     5      11.021  -6.230  -1.537          0.009
+ATOM     10  CA  ALA     6       9.223 -10.508   0.026          0.069
+ATOM     11  CB  ALA     6       8.855 -10.924   0.390          0.070
+ATOM     12  CA  ALA     7       7.236 -12.481  -2.799          0.157
+ATOM     13  CB  ALA     7       7.407 -12.981  -2.988          0.173
+ATOM     14  CA  ALA     8      10.620 -11.561  -4.175          0.092
+ATOM     15  CB  ALA     8      11.009 -12.124  -3.876          0.025
+ATOM     16  CA  ALA     9       8.492  -9.671  -6.649          0.001
+ATOM     17  CB  ALA     9       8.876  -9.766  -7.335          0.006
+ATOM     18  CA  ALA    10      11.175  -6.933  -6.972          0.003
+ATOM     19  CB  ALA    10      11.175  -6.424  -6.395          0.002
+ATOM     20  CA  ALA    11      14.495  -6.647  -8.846          0.000
+ATOM     21  CB  ALA    11      14.551  -6.617  -9.593          0.000
+ATOM     22  CA  ALA    12      15.079  -3.143  -7.478          0.000
+ATOM     23  CB  ALA    12      14.518  -2.697  -7.673          0.000
+ATOM     24  CA  ALA    13      16.174  -2.551  -3.887          0.000
+ATOM     25  CB  ALA    13      16.836  -2.237  -3.786          0.000
+ATOM     26  CA  CYS    14      13.886  -2.357  -0.853          0.000
+ATOM     27  CB  CYS    14      13.229  -3.383  -0.627          0.000
+ATOM     28  CA  ALA    15      16.578  -1.066   1.518          0.000
+ATOM     29  CB  ALA    15      17.190  -1.488   1.522          0.000
+ATOM     30  CA  ALA    16      17.639   2.489   2.353          0.000
+ATOM     31  CB  ALA    16      17.419   2.774   3.001          0.000
+ATOM     32  CA  ALA    17      20.525   4.470   0.867          0.000
+ATOM     33  CB  ALA    17      20.499   4.837   0.222          0.000
+ATOM     34  CA  GLY    18      20.468   7.047   3.669          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   19.04                                       ENERGY     8.34583E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.206   1.118   0.120          0.007
+ATOM      2  CA  ALA     2       3.361  -0.348   0.198          0.009
+ATOM      3  CB  ALA     2       3.930   0.099   0.441          0.008
+ATOM      4  CA  ALA     3       4.428  -3.805  -0.478          0.027
+ATOM      5  CB  ALA     3       4.780  -3.675  -0.680          0.097
+ATOM      6  CA  ALA     4       7.237  -5.515   1.360          0.089
+ATOM      7  CB  ALA     4       6.939  -5.911   2.033          0.008
+ATOM      8  CA  CYS     5       9.833  -6.736  -1.014          0.166
+ATOM      9  CB  CYS     5      11.019  -6.231  -1.535          0.011
+ATOM     10  CA  ALA     6       9.214 -10.512   0.003          0.079
+ATOM     11  CB  ALA     6       8.850 -10.928   0.385          0.065
+ATOM     12  CA  ALA     7       7.235 -12.465  -2.774          0.155
+ATOM     13  CB  ALA     7       7.409 -12.986  -2.978          0.136
+ATOM     14  CA  ALA     8      10.631 -11.561  -4.188          0.089
+ATOM     15  CB  ALA     8      11.012 -12.125  -3.880          0.021
+ATOM     16  CA  ALA     9       8.493  -9.670  -6.649          0.000
+ATOM     17  CB  ALA     9       8.875  -9.765  -7.333          0.007
+ATOM     18  CA  ALA    10      11.174  -6.935  -6.971          0.003
+ATOM     19  CB  ALA    10      11.175  -6.425  -6.396          0.002
+ATOM     20  CA  ALA    11      14.494  -6.647  -8.846          0.000
+ATOM     21  CB  ALA    11      14.551  -6.617  -9.593          0.000
+ATOM     22  CA  ALA    12      15.079  -3.143  -7.478          0.000
+ATOM     23  CB  ALA    12      14.518  -2.697  -7.673          0.000
+ATOM     24  CA  ALA    13      16.174  -2.551  -3.887          0.000
+ATOM     25  CB  ALA    13      16.836  -2.238  -3.786          0.000
+ATOM     26  CA  CYS    14      13.886  -2.357  -0.853          0.000
+ATOM     27  CB  CYS    14      13.229  -3.383  -0.627          0.000
+ATOM     28  CA  ALA    15      16.578  -1.066   1.518          0.000
+ATOM     29  CB  ALA    15      17.190  -1.488   1.522          0.000
+ATOM     30  CA  ALA    16      17.639   2.489   2.353          0.000
+ATOM     31  CB  ALA    16      17.419   2.774   3.001          0.000
+ATOM     32  CA  ALA    17      20.525   4.470   0.867          0.000
+ATOM     33  CB  ALA    17      20.499   4.837   0.222          0.000
+ATOM     34  CA  GLY    18      20.468   7.047   3.669          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   19.07                                       ENERGY     7.39529E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.205   1.116   0.119          0.010
+ATOM      2  CA  ALA     2       3.362  -0.341   0.199          0.015
+ATOM      3  CB  ALA     2       3.928   0.099   0.442          0.009
+ATOM      4  CA  ALA     3       4.422  -3.809  -0.480          0.040
+ATOM      5  CB  ALA     3       4.780  -3.672  -0.689          0.113
+ATOM      6  CA  ALA     4       7.241  -5.518   1.370          0.084
+ATOM      7  CB  ALA     4       6.940  -5.909   2.032          0.011
+ATOM      8  CA  CYS     5       9.837  -6.743  -1.013          0.156
+ATOM      9  CB  CYS     5      11.017  -6.233  -1.533          0.014
+ATOM     10  CA  ALA     6       9.206 -10.514  -0.020          0.085
+ATOM     11  CB  ALA     6       8.845 -10.931   0.382          0.057
+ATOM     12  CA  ALA     7       7.234 -12.448  -2.748          0.145
+ATOM     13  CB  ALA     7       7.411 -12.992  -2.970          0.109
+ATOM     14  CA  ALA     8      10.641 -11.562  -4.200          0.082
+ATOM     15  CB  ALA     8      11.014 -12.125  -3.883          0.018
+ATOM     16  CA  ALA     9       8.495  -9.668  -6.650          0.000
+ATOM     17  CB  ALA     9       8.874  -9.764  -7.332          0.008
+ATOM     18  CA  ALA    10      11.172  -6.937  -6.970          0.003
+ATOM     19  CB  ALA    10      11.174  -6.426  -6.396          0.003
+ATOM     20  CA  ALA    11      14.493  -6.647  -8.846          0.000
+ATOM     21  CB  ALA    11      14.551  -6.617  -9.593          0.000
+ATOM     22  CA  ALA    12      15.080  -3.142  -7.478          0.000
+ATOM     23  CB  ALA    12      14.519  -2.697  -7.673          0.000
+ATOM     24  CA  ALA    13      16.174  -2.551  -3.887          0.000
+ATOM     25  CB  ALA    13      16.836  -2.238  -3.786          0.000
+ATOM     26  CA  CYS    14      13.886  -2.357  -0.853          0.000
+ATOM     27  CB  CYS    14      13.229  -3.383  -0.627          0.000
+ATOM     28  CA  ALA    15      16.578  -1.066   1.518          0.000
+ATOM     29  CB  ALA    15      17.191  -1.488   1.522          0.000
+ATOM     30  CA  ALA    16      17.639   2.489   2.353          0.000
+ATOM     31  CB  ALA    16      17.419   2.774   3.001          0.000
+ATOM     32  CA  ALA    17      20.525   4.470   0.867          0.000
+ATOM     33  CB  ALA    17      20.499   4.837   0.222          0.000
+ATOM     34  CA  GLY    18      20.468   7.047   3.669          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   19.09                                       ENERGY     6.52321E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.204   1.113   0.119          0.012
+ATOM      2  CA  ALA     2       3.362  -0.333   0.200          0.026
+ATOM      3  CB  ALA     2       3.925   0.100   0.442          0.009
+ATOM      4  CA  ALA     3       4.414  -3.815  -0.481          0.058
+ATOM      5  CB  ALA     3       4.784  -3.669  -0.698          0.154
+ATOM      6  CA  ALA     4       7.244  -5.520   1.380          0.077
+ATOM      7  CB  ALA     4       6.942  -5.907   2.030          0.013
+ATOM      8  CA  CYS     5       9.842  -6.751  -1.012          0.140
+ATOM      9  CB  CYS     5      11.016  -6.236  -1.531          0.016
+ATOM     10  CA  ALA     6       9.199 -10.514  -0.042          0.089
+ATOM     11  CB  ALA     6       8.839 -10.934   0.378          0.048
+ATOM     12  CA  ALA     7       7.234 -12.433  -2.723          0.130
+ATOM     13  CB  ALA     7       7.413 -12.997  -2.963          0.088
+ATOM     14  CA  ALA     8      10.650 -11.564  -4.210          0.074
+ATOM     15  CB  ALA     8      11.016 -12.126  -3.886          0.015
+ATOM     16  CA  ALA     9       8.497  -9.666  -6.651          0.000
+ATOM     17  CB  ALA     9       8.872  -9.763  -7.330          0.008
+ATOM     18  CA  ALA    10      11.171  -6.939  -6.970          0.003
+ATOM     19  CB  ALA    10      11.174  -6.428  -6.397          0.003
+ATOM     20  CA  ALA    11      14.492  -6.646  -8.845          0.000
+ATOM     21  CB  ALA    11      14.551  -6.617  -9.593          0.000
+ATOM     22  CA  ALA    12      15.080  -3.142  -7.478          0.000
+ATOM     23  CB  ALA    12      14.519  -2.697  -7.673          0.000
+ATOM     24  CA  ALA    13      16.174  -2.552  -3.887          0.000
+ATOM     25  CB  ALA    13      16.836  -2.238  -3.786          0.000
+ATOM     26  CA  CYS    14      13.886  -2.357  -0.853          0.000
+ATOM     27  CB  CYS    14      13.229  -3.383  -0.627          0.000
+ATOM     28  CA  ALA    15      16.578  -1.066   1.518          0.000
+ATOM     29  CB  ALA    15      17.191  -1.488   1.522          0.000
+ATOM     30  CA  ALA    16      17.639   2.489   2.353          0.000
+ATOM     31  CB  ALA    16      17.419   2.774   3.001          0.000
+ATOM     32  CA  ALA    17      20.525   4.470   0.866          0.000
+ATOM     33  CB  ALA    17      20.499   4.837   0.222          0.000
+ATOM     34  CA  GLY    18      20.468   7.047   3.668          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   23.77                                       ENERGY     1.37195E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.354   1.074   0.109          0.048
+ATOM      2  CA  ALA     2       3.119  -0.232   0.103          0.125
+ATOM      3  CB  ALA     2       3.688   0.068   0.606          0.012
+ATOM      4  CA  ALA     3       4.711  -3.366  -0.576          0.166
+ATOM      5  CB  ALA     3       5.377  -3.237  -0.792          0.654
+ATOM      6  CA  ALA     4       7.145  -5.635   1.179          0.173
+ATOM      7  CB  ALA     4       6.812  -5.737   1.882          0.040
+ATOM      8  CA  CYS     5       9.581  -7.160  -1.037          0.009
+ATOM      9  CB  CYS     5      10.587  -6.557  -0.987          0.001
+ATOM     10  CA  ALA     6       9.209 -10.625   0.633          0.020
+ATOM     11  CB  ALA     6       8.810 -10.769   1.284          0.061
+ATOM     12  CA  ALA     7       7.869 -12.177  -2.532          0.002
+ATOM     13  CB  ALA     7       7.201 -12.314  -2.294          0.035
+ATOM     14  CA  ALA     8      10.806 -11.989  -4.952          0.009
+ATOM     15  CB  ALA     8      11.123 -12.654  -4.775          0.015
+ATOM     16  CA  ALA     9       8.985  -9.898  -7.553          0.002
+ATOM     17  CB  ALA     9       8.381  -9.514  -7.747          0.010
+ATOM     18  CA  ALA    10      11.149  -6.837  -6.829          0.001
+ATOM     19  CB  ALA    10      11.256  -6.491  -6.179          0.002
+ATOM     20  CA  ALA    11      14.396  -6.595  -8.807          0.000
+ATOM     21  CB  ALA    11      14.446  -6.557  -9.552          0.000
+ATOM     22  CA  ALA    12      15.099  -3.094  -7.468          0.000
+ATOM     23  CB  ALA    12      14.617  -2.601  -7.734          0.000
+ATOM     24  CA  ALA    13      16.200  -2.597  -3.862          0.000
+ATOM     25  CB  ALA    13      16.873  -2.333  -3.734          0.000
+ATOM     26  CA  CYS    14      13.889  -2.339  -0.852          0.000
+ATOM     27  CB  CYS    14      13.183  -3.345  -0.666          0.000
+ATOM     28  CA  ALA    15      16.592  -1.081   1.535          0.000
+ATOM     29  CB  ALA    15      17.218  -1.483   1.552          0.000
+ATOM     30  CA  ALA    16      17.647   2.484   2.337          0.000
+ATOM     31  CB  ALA    16      17.418   2.777   2.978          0.000
+ATOM     32  CA  ALA    17      20.544   4.467   0.878          0.000
+ATOM     33  CB  ALA    17      20.526   4.829   0.231          0.000
+ATOM     34  CA  GLY    18      20.434   7.069   3.657          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   23.78                                       ENERGY     1.33187E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.358   1.074   0.108          0.059
+ATOM      2  CA  ALA     2       3.120  -0.226   0.106          0.125
+ATOM      3  CB  ALA     2       3.687   0.068   0.605          0.015
+ATOM      4  CA  ALA     3       4.714  -3.362  -0.577          0.165
+ATOM      5  CB  ALA     3       5.370  -3.240  -0.802          0.656
+ATOM      6  CA  ALA     4       7.151  -5.645   1.185          0.175
+ATOM      7  CB  ALA     4       6.814  -5.738   1.880          0.037
+ATOM      8  CA  CYS     5       9.577  -7.160  -1.037          0.007
+ATOM      9  CB  CYS     5      10.587  -6.557  -0.987          0.001
+ATOM     10  CA  ALA     6       9.212 -10.623   0.636          0.021
+ATOM     11  CB  ALA     6       8.811 -10.768   1.287          0.060
+ATOM     12  CA  ALA     7       7.868 -12.176  -2.532          0.002
+ATOM     13  CB  ALA     7       7.201 -12.314  -2.297          0.036
+ATOM     14  CA  ALA     8      10.806 -11.990  -4.952          0.009
+ATOM     15  CB  ALA     8      11.123 -12.654  -4.777          0.015
+ATOM     16  CA  ALA     9       8.985  -9.897  -7.556          0.002
+ATOM     17  CB  ALA     9       8.381  -9.515  -7.746          0.010
+ATOM     18  CA  ALA    10      11.149  -6.837  -6.828          0.001
+ATOM     19  CB  ALA    10      11.256  -6.491  -6.179          0.002
+ATOM     20  CA  ALA    11      14.397  -6.594  -8.808          0.000
+ATOM     21  CB  ALA    11      14.446  -6.557  -9.552          0.000
+ATOM     22  CA  ALA    12      15.099  -3.094  -7.468          0.000
+ATOM     23  CB  ALA    12      14.617  -2.601  -7.734          0.000
+ATOM     24  CA  ALA    13      16.200  -2.597  -3.862          0.000
+ATOM     25  CB  ALA    13      16.873  -2.334  -3.734          0.000
+ATOM     26  CA  CYS    14      13.889  -2.339  -0.852          0.000
+ATOM     27  CB  CYS    14      13.183  -3.345  -0.666          0.000
+ATOM     28  CA  ALA    15      16.592  -1.082   1.535          0.000
+ATOM     29  CB  ALA    15      17.218  -1.483   1.552          0.000
+ATOM     30  CA  ALA    16      17.647   2.484   2.337          0.000
+ATOM     31  CB  ALA    16      17.418   2.777   2.978          0.000
+ATOM     32  CA  ALA    17      20.544   4.467   0.878          0.000
+ATOM     33  CB  ALA    17      20.527   4.829   0.231          0.000
+ATOM     34  CA  GLY    18      20.434   7.069   3.657          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   23.80                                       ENERGY     1.27829E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.363   1.074   0.107          0.070
+ATOM      2  CA  ALA     2       3.121  -0.220   0.110          0.125
+ATOM      3  CB  ALA     2       3.686   0.069   0.605          0.018
+ATOM      4  CA  ALA     3       4.716  -3.358  -0.579          0.163
+ATOM      5  CB  ALA     3       5.363  -3.242  -0.811          0.652
+ATOM      6  CA  ALA     4       7.158  -5.655   1.191          0.177
+ATOM      7  CB  ALA     4       6.816  -5.739   1.878          0.033
+ATOM      8  CA  CYS     5       9.574  -7.162  -1.038          0.005
+ATOM      9  CB  CYS     5      10.587  -6.557  -0.987          0.000
+ATOM     10  CA  ALA     6       9.215 -10.621   0.638          0.023
+ATOM     11  CB  ALA     6       8.811 -10.767   1.291          0.058
+ATOM     12  CA  ALA     7       7.867 -12.175  -2.533          0.002
+ATOM     13  CB  ALA     7       7.201 -12.314  -2.299          0.037
+ATOM     14  CA  ALA     8      10.806 -11.990  -4.952          0.008
+ATOM     15  CB  ALA     8      11.123 -12.654  -4.779          0.015
+ATOM     16  CA  ALA     9       8.986  -9.897  -7.558          0.003
+ATOM     17  CB  ALA     9       8.381  -9.516  -7.745          0.010
+ATOM     18  CA  ALA    10      11.149  -6.838  -6.827          0.001
+ATOM     19  CB  ALA    10      11.256  -6.491  -6.178          0.002
+ATOM     20  CA  ALA    11      14.397  -6.594  -8.808          0.000
+ATOM     21  CB  ALA    11      14.446  -6.557  -9.552          0.000
+ATOM     22  CA  ALA    12      15.099  -3.094  -7.468          0.000
+ATOM     23  CB  ALA    12      14.617  -2.601  -7.734          0.000
+ATOM     24  CA  ALA    13      16.201  -2.597  -3.862          0.000
+ATOM     25  CB  ALA    13      16.873  -2.334  -3.734          0.000
+ATOM     26  CA  CYS    14      13.889  -2.339  -0.852          0.000
+ATOM     27  CB  CYS    14      13.183  -3.345  -0.666          0.000
+ATOM     28  CA  ALA    15      16.592  -1.082   1.534          0.000
+ATOM     29  CB  ALA    15      17.218  -1.483   1.552          0.000
+ATOM     30  CA  ALA    16      17.647   2.484   2.337          0.000
+ATOM     31  CB  ALA    16      17.418   2.777   2.978          0.000
+ATOM     32  CA  ALA    17      20.545   4.467   0.878          0.000
+ATOM     33  CB  ALA    17      20.527   4.829   0.231          0.000
+ATOM     34  CA  GLY    18      20.434   7.069   3.657          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   23.81                                       ENERGY     1.20999E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.368   1.074   0.106          0.082
+ATOM      2  CA  ALA     2       3.122  -0.214   0.113          0.123
+ATOM      3  CB  ALA     2       3.684   0.070   0.604          0.021
+ATOM      4  CA  ALA     3       4.720  -3.356  -0.580          0.161
+ATOM      5  CB  ALA     3       5.356  -3.245  -0.820          0.645
+ATOM      6  CA  ALA     4       7.163  -5.663   1.198          0.176
+ATOM      7  CB  ALA     4       6.817  -5.740   1.876          0.030
+ATOM      8  CA  CYS     5       9.570  -7.163  -1.039          0.004
+ATOM      9  CB  CYS     5      10.586  -6.557  -0.987          0.000
+ATOM     10  CA  ALA     6       9.218 -10.618   0.641          0.024
+ATOM     11  CB  ALA     6       8.811 -10.766   1.294          0.057
+ATOM     12  CA  ALA     7       7.866 -12.174  -2.533          0.002
+ATOM     13  CB  ALA     7       7.201 -12.313  -2.302          0.038
+ATOM     14  CA  ALA     8      10.806 -11.991  -4.952          0.008
+ATOM     15  CB  ALA     8      11.123 -12.654  -4.780          0.015
+ATOM     16  CA  ALA     9       8.986  -9.897  -7.561          0.003
+ATOM     17  CB  ALA     9       8.380  -9.516  -7.744          0.010
+ATOM     18  CA  ALA    10      11.149  -6.839  -6.826          0.001
+ATOM     19  CB  ALA    10      11.255  -6.491  -6.177          0.002
+ATOM     20  CA  ALA    11      14.398  -6.593  -8.809          0.000
+ATOM     21  CB  ALA    11      14.446  -6.557  -9.552          0.000
+ATOM     22  CA  ALA    12      15.098  -3.094  -7.468          0.000
+ATOM     23  CB  ALA    12      14.617  -2.601  -7.734          0.000
+ATOM     24  CA  ALA    13      16.201  -2.597  -3.862          0.000
+ATOM     25  CB  ALA    13      16.873  -2.334  -3.734          0.000
+ATOM     26  CA  CYS    14      13.889  -2.339  -0.852          0.000
+ATOM     27  CB  CYS    14      13.183  -3.345  -0.666          0.000
+ATOM     28  CA  ALA    15      16.592  -1.082   1.534          0.000
+ATOM     29  CB  ALA    15      17.218  -1.483   1.552          0.000
+ATOM     30  CA  ALA    16      17.647   2.484   2.337          0.000
+ATOM     31  CB  ALA    16      17.418   2.777   2.978          0.000
+ATOM     32  CA  ALA    17      20.545   4.467   0.878          0.000
+ATOM     33  CB  ALA    17      20.527   4.829   0.231          0.000
+ATOM     34  CA  GLY    18      20.434   7.069   3.657          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   23.83                                       ENERGY     1.12651E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.373   1.074   0.105          0.095
+ATOM      2  CA  ALA     2       3.123  -0.207   0.117          0.121
+ATOM      3  CB  ALA     2       3.682   0.072   0.604          0.023
+ATOM      4  CA  ALA     3       4.723  -3.354  -0.582          0.158
+ATOM      5  CB  ALA     3       5.350  -3.248  -0.830          0.635
+ATOM      6  CA  ALA     4       7.168  -5.672   1.205          0.174
+ATOM      7  CB  ALA     4       6.819  -5.741   1.874          0.026
+ATOM      8  CA  CYS     5       9.567  -7.166  -1.041          0.003
+ATOM      9  CB  CYS     5      10.586  -6.557  -0.987          0.000
+ATOM     10  CA  ALA     6       9.220 -10.616   0.645          0.025
+ATOM     11  CB  ALA     6       8.811 -10.764   1.297          0.055
+ATOM     12  CA  ALA     7       7.865 -12.173  -2.534          0.002
+ATOM     13  CB  ALA     7       7.201 -12.313  -2.305          0.038
+ATOM     14  CA  ALA     8      10.806 -11.992  -4.952          0.008
+ATOM     15  CB  ALA     8      11.123 -12.654  -4.782          0.015
+ATOM     16  CA  ALA     9       8.986  -9.896  -7.563          0.003
+ATOM     17  CB  ALA     9       8.380  -9.517  -7.743          0.010
+ATOM     18  CA  ALA    10      11.149  -6.840  -6.825          0.001
+ATOM     19  CB  ALA    10      11.255  -6.491  -6.177          0.002
+ATOM     20  CA  ALA    11      14.398  -6.593  -8.809          0.000
+ATOM     21  CB  ALA    11      14.446  -6.557  -9.552          0.000
+ATOM     22  CA  ALA    12      15.098  -3.094  -7.468          0.000
+ATOM     23  CB  ALA    12      14.617  -2.601  -7.734          0.000
+ATOM     24  CA  ALA    13      16.201  -2.597  -3.862          0.000
+ATOM     25  CB  ALA    13      16.873  -2.334  -3.734          0.000
+ATOM     26  CA  CYS    14      13.889  -2.339  -0.852          0.000
+ATOM     27  CB  CYS    14      13.183  -3.345  -0.666          0.000
+ATOM     28  CA  ALA    15      16.592  -1.082   1.534          0.000
+ATOM     29  CB  ALA    15      17.218  -1.483   1.552          0.000
+ATOM     30  CA  ALA    16      17.647   2.484   2.337          0.000
+ATOM     31  CB  ALA    16      17.418   2.777   2.978          0.000
+ATOM     32  CA  ALA    17      20.545   4.467   0.878          0.000
+ATOM     33  CB  ALA    17      20.527   4.829   0.231          0.000
+ATOM     34  CA  GLY    18      20.434   7.069   3.657          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   23.84                                       ENERGY     1.02822E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.379   1.074   0.104          0.107
+ATOM      2  CA  ALA     2       3.124  -0.199   0.121          0.118
+ATOM      3  CB  ALA     2       3.680   0.073   0.603          0.026
+ATOM      4  CA  ALA     3       4.726  -3.353  -0.584          0.155
+ATOM      5  CB  ALA     3       5.344  -3.251  -0.839          0.623
+ATOM      6  CA  ALA     4       7.173  -5.679   1.213          0.171
+ATOM      7  CB  ALA     4       6.820  -5.741   1.873          0.022
+ATOM      8  CA  CYS     5       9.565  -7.169  -1.042          0.002
+ATOM      9  CB  CYS     5      10.586  -6.558  -0.987          0.001
+ATOM     10  CA  ALA     6       9.223 -10.613   0.648          0.026
+ATOM     11  CB  ALA     6       8.812 -10.763   1.300          0.053
+ATOM     12  CA  ALA     7       7.865 -12.173  -2.535          0.002
+ATOM     13  CB  ALA     7       7.200 -12.312  -2.308          0.039
+ATOM     14  CA  ALA     8      10.806 -11.992  -4.952          0.007
+ATOM     15  CB  ALA     8      11.123 -12.654  -4.784          0.016
+ATOM     16  CA  ALA     9       8.986  -9.896  -7.566          0.003
+ATOM     17  CB  ALA     9       8.380  -9.518  -7.742          0.010
+ATOM     18  CA  ALA    10      11.149  -6.841  -6.824          0.001
+ATOM     19  CB  ALA    10      11.255  -6.491  -6.176          0.002
+ATOM     20  CA  ALA    11      14.399  -6.592  -8.809          0.000
+ATOM     21  CB  ALA    11      14.446  -6.557  -9.551          0.000
+ATOM     22  CA  ALA    12      15.098  -3.095  -7.468          0.000
+ATOM     23  CB  ALA    12      14.617  -2.601  -7.734          0.000
+ATOM     24  CA  ALA    13      16.201  -2.597  -3.862          0.000
+ATOM     25  CB  ALA    13      16.873  -2.334  -3.734          0.000
+ATOM     26  CA  CYS    14      13.889  -2.339  -0.852          0.000
+ATOM     27  CB  CYS    14      13.183  -3.345  -0.666          0.000
+ATOM     28  CA  ALA    15      16.592  -1.082   1.534          0.000
+ATOM     29  CB  ALA    15      17.218  -1.483   1.552          0.000
+ATOM     30  CA  ALA    16      17.647   2.484   2.337          0.000
+ATOM     31  CB  ALA    16      17.418   2.777   2.978          0.000
+ATOM     32  CA  ALA    17      20.545   4.467   0.878          0.000
+ATOM     33  CB  ALA    17      20.527   4.829   0.231          0.000
+ATOM     34  CA  GLY    18      20.433   7.069   3.657          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   23.85                                       ENERGY     9.16272E+00
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.384   1.073   0.102          0.120
+ATOM      2  CA  ALA     2       3.125  -0.190   0.126          0.113
+ATOM      3  CB  ALA     2       3.678   0.074   0.603          0.028
+ATOM      4  CA  ALA     3       4.729  -3.353  -0.586          0.150
+ATOM      5  CB  ALA     3       5.339  -3.254  -0.849          0.608
+ATOM      6  CA  ALA     4       7.177  -5.686   1.221          0.166
+ATOM      7  CB  ALA     4       6.822  -5.742   1.871          0.018
+ATOM      8  CA  CYS     5       9.562  -7.172  -1.045          0.002
+ATOM      9  CB  CYS     5      10.587  -6.558  -0.988          0.002
+ATOM     10  CA  ALA     6       9.226 -10.610   0.651          0.028
+ATOM     11  CB  ALA     6       8.812 -10.762   1.303          0.051
+ATOM     12  CA  ALA     7       7.864 -12.172  -2.536          0.002
+ATOM     13  CB  ALA     7       7.200 -12.312  -2.311          0.039
+ATOM     14  CA  ALA     8      10.806 -11.993  -4.952          0.007
+ATOM     15  CB  ALA     8      11.123 -12.654  -4.786          0.016
+ATOM     16  CA  ALA     9       8.986  -9.895  -7.568          0.003
+ATOM     17  CB  ALA     9       8.379  -9.519  -7.740          0.010
+ATOM     18  CA  ALA    10      11.149  -6.842  -6.823          0.001
+ATOM     19  CB  ALA    10      11.254  -6.492  -6.176          0.002
+ATOM     20  CA  ALA    11      14.399  -6.592  -8.809          0.000
+ATOM     21  CB  ALA    11      14.446  -6.556  -9.551          0.000
+ATOM     22  CA  ALA    12      15.098  -3.095  -7.468          0.000
+ATOM     23  CB  ALA    12      14.617  -2.600  -7.734          0.000
+ATOM     24  CA  ALA    13      16.202  -2.597  -3.862          0.000
+ATOM     25  CB  ALA    13      16.874  -2.334  -3.734          0.000
+ATOM     26  CA  CYS    14      13.888  -2.339  -0.851          0.000
+ATOM     27  CB  CYS    14      13.183  -3.345  -0.666          0.000
+ATOM     28  CA  ALA    15      16.591  -1.082   1.534          0.000
+ATOM     29  CB  ALA    15      17.218  -1.483   1.552          0.000
+ATOM     30  CA  ALA    16      17.647   2.484   2.337          0.000
+ATOM     31  CB  ALA    16      17.418   2.777   2.978          0.000
+ATOM     32  CA  ALA    17      20.545   4.467   0.878          0.000
+ATOM     33  CB  ALA    17      20.527   4.829   0.231          0.000
+ATOM     34  CA  GLY    18      20.433   7.069   3.657          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   24.75                                       ENERGY     2.86193E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.592   1.126   0.087          0.033
+ATOM      2  CA  ALA     2       3.174  -0.160   0.163          0.510
+ATOM      3  CB  ALA     2       3.735   0.101   0.682          0.008
+ATOM      4  CA  ALA     3       4.815  -3.234  -0.804          0.182
+ATOM      5  CB  ALA     3       5.350  -3.476  -0.772          0.891
+ATOM      6  CA  ALA     4       7.171  -5.653   1.258          0.099
+ATOM      7  CB  ALA     4       6.735  -5.793   1.962          0.046
+ATOM      8  CA  CYS     5       9.546  -7.209  -1.023          0.013
+ATOM      9  CB  CYS     5      10.620  -6.532  -0.990          0.005
+ATOM     10  CA  ALA     6       9.252 -10.672   0.675          0.010
+ATOM     11  CB  ALA     6       8.804 -10.733   1.250          0.002
+ATOM     12  CA  ALA     7       7.906 -12.210  -2.504          0.004
+ATOM     13  CB  ALA     7       7.160 -12.234  -2.357          0.020
+ATOM     14  CA  ALA     8      10.833 -12.004  -4.979          0.001
+ATOM     15  CB  ALA     8      11.107 -12.662  -4.831          0.003
+ATOM     16  CA  ALA     9       8.979  -9.881  -7.555          0.000
+ATOM     17  CB  ALA     9       8.338  -9.548  -7.712          0.006
+ATOM     18  CA  ALA    10      11.171  -6.858  -6.822          0.001
+ATOM     19  CB  ALA    10      11.240  -6.501  -6.182          0.001
+ATOM     20  CA  ALA    11      14.405  -6.592  -8.807          0.000
+ATOM     21  CB  ALA    11      14.434  -6.553  -9.538          0.000
+ATOM     22  CA  ALA    12      15.095  -3.091  -7.471          0.000
+ATOM     23  CB  ALA    12      14.613  -2.595  -7.731          0.000
+ATOM     24  CA  ALA    13      16.201  -2.602  -3.862          0.000
+ATOM     25  CB  ALA    13      16.884  -2.336  -3.733          0.000
+ATOM     26  CA  CYS    14      13.887  -2.338  -0.849          0.000
+ATOM     27  CB  CYS    14      13.182  -3.339  -0.666          0.000
+ATOM     28  CA  ALA    15      16.590  -1.081   1.533          0.000
+ATOM     29  CB  ALA    15      17.215  -1.484   1.552          0.000
+ATOM     30  CA  ALA    16      17.648   2.481   2.336          0.000
+ATOM     31  CB  ALA    16      17.418   2.776   2.976          0.000
+ATOM     32  CA  ALA    17      20.545   4.466   0.879          0.000
+ATOM     33  CB  ALA    17      20.529   4.829   0.231          0.000
+ATOM     34  CA  GLY    18      20.430   7.070   3.656          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   25.60                                       ENERGY     2.17787E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.632   1.099   0.070          0.032
+ATOM      2  CA  ALA     2       3.256  -0.151   0.202          0.026
+ATOM      3  CB  ALA     2       3.651   0.078   0.655          0.014
+ATOM      4  CA  ALA     3       4.766  -3.293  -0.720          0.169
+ATOM      5  CB  ALA     3       5.519  -3.316  -1.003          0.978
+ATOM      6  CA  ALA     4       7.100  -5.630   1.295          0.045
+ATOM      7  CB  ALA     4       6.716  -5.841   1.906          0.038
+ATOM      8  CA  CYS     5       9.589  -7.149  -0.945          0.025
+ATOM      9  CB  CYS     5      10.617  -6.514  -0.987          0.006
+ATOM     10  CA  ALA     6       9.263 -10.690   0.668          0.002
+ATOM     11  CB  ALA     6       8.771 -10.798   1.228          0.008
+ATOM     12  CA  ALA     7       7.930 -12.235  -2.501          0.001
+ATOM     13  CB  ALA     7       7.211 -12.152  -2.447          0.022
+ATOM     14  CA  ALA     8      10.829 -12.025  -4.973          0.001
+ATOM     15  CB  ALA     8      11.086 -12.702  -4.861          0.004
+ATOM     16  CA  ALA     9       8.955  -9.872  -7.513          0.002
+ATOM     17  CB  ALA     9       8.294  -9.593  -7.678          0.009
+ATOM     18  CA  ALA    10      11.181  -6.862  -6.826          0.000
+ATOM     19  CB  ALA    10      11.221  -6.502  -6.173          0.001
+ATOM     20  CA  ALA    11      14.418  -6.592  -8.802          0.000
+ATOM     21  CB  ALA    11      14.445  -6.548  -9.544          0.001
+ATOM     22  CA  ALA    12      15.094  -3.086  -7.465          0.000
+ATOM     23  CB  ALA    12      14.607  -2.590  -7.724          0.000
+ATOM     24  CA  ALA    13      16.203  -2.604  -3.863          0.000
+ATOM     25  CB  ALA    13      16.882  -2.342  -3.735          0.000
+ATOM     26  CA  CYS    14      13.891  -2.333  -0.856          0.000
+ATOM     27  CB  CYS    14      13.180  -3.335  -0.666          0.000
+ATOM     28  CA  ALA    15      16.588  -1.082   1.536          0.000
+ATOM     29  CB  ALA    15      17.213  -1.487   1.554          0.000
+ATOM     30  CA  ALA    16      17.648   2.481   2.334          0.000
+ATOM     31  CB  ALA    16      17.418   2.775   2.975          0.000
+ATOM     32  CA  ALA    17      20.548   4.466   0.880          0.000
+ATOM     33  CB  ALA    17      20.531   4.827   0.232          0.000
+ATOM     34  CA  GLY    18      20.426   7.071   3.655          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   25.61                                       ENERGY     2.06035E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.626   1.098   0.071          0.027
+ATOM      2  CA  ALA     2       3.250  -0.155   0.199          0.022
+ATOM      3  CB  ALA     2       3.650   0.078   0.657          0.018
+ATOM      4  CA  ALA     3       4.774  -3.286  -0.721          0.173
+ATOM      5  CB  ALA     3       5.507  -3.309  -1.008          0.928
+ATOM      6  CA  ALA     4       7.105  -5.636   1.297          0.043
+ATOM      7  CB  ALA     4       6.716  -5.844   1.906          0.033
+ATOM      8  CA  CYS     5       9.586  -7.147  -0.943          0.022
+ATOM      9  CB  CYS     5      10.616  -6.513  -0.986          0.004
+ATOM     10  CA  ALA     6       9.264 -10.689   0.669          0.002
+ATOM     11  CB  ALA     6       8.771 -10.800   1.227          0.007
+ATOM     12  CA  ALA     7       7.930 -12.235  -2.502          0.001
+ATOM     13  CB  ALA     7       7.212 -12.150  -2.449          0.022
+ATOM     14  CA  ALA     8      10.829 -12.026  -4.973          0.001
+ATOM     15  CB  ALA     8      11.085 -12.702  -4.861          0.004
+ATOM     16  CA  ALA     9       8.954  -9.872  -7.512          0.002
+ATOM     17  CB  ALA     9       8.293  -9.594  -7.677          0.009
+ATOM     18  CA  ALA    10      11.181  -6.862  -6.826          0.000
+ATOM     19  CB  ALA    10      11.221  -6.502  -6.173          0.001
+ATOM     20  CA  ALA    11      14.418  -6.592  -8.803          0.000
+ATOM     21  CB  ALA    11      14.446  -6.548  -9.544          0.001
+ATOM     22  CA  ALA    12      15.094  -3.086  -7.465          0.000
+ATOM     23  CB  ALA    12      14.607  -2.590  -7.723          0.000
+ATOM     24  CA  ALA    13      16.203  -2.604  -3.863          0.000
+ATOM     25  CB  ALA    13      16.882  -2.342  -3.735          0.000
+ATOM     26  CA  CYS    14      13.891  -2.333  -0.856          0.000
+ATOM     27  CB  CYS    14      13.180  -3.335  -0.666          0.000
+ATOM     28  CA  ALA    15      16.588  -1.082   1.536          0.000
+ATOM     29  CB  ALA    15      17.213  -1.488   1.554          0.000
+ATOM     30  CA  ALA    16      17.648   2.481   2.334          0.000
+ATOM     31  CB  ALA    16      17.418   2.775   2.975          0.000
+ATOM     32  CA  ALA    17      20.548   4.465   0.880          0.000
+ATOM     33  CB  ALA    17      20.531   4.827   0.232          0.000
+ATOM     34  CA  GLY    18      20.426   7.071   3.655          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   25.62                                       ENERGY     1.87404E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.619   1.097   0.071          0.022
+ATOM      2  CA  ALA     2       3.243  -0.158   0.197          0.020
+ATOM      3  CB  ALA     2       3.649   0.078   0.659          0.023
+ATOM      4  CA  ALA     3       4.783  -3.281  -0.721          0.172
+ATOM      5  CB  ALA     3       5.495  -3.304  -1.012          0.861
+ATOM      6  CA  ALA     4       7.108  -5.642   1.298          0.041
+ATOM      7  CB  ALA     4       6.716  -5.847   1.906          0.029
+ATOM      8  CA  CYS     5       9.584  -7.146  -0.941          0.019
+ATOM      9  CB  CYS     5      10.616  -6.513  -0.986          0.003
+ATOM     10  CA  ALA     6       9.265 -10.688   0.670          0.003
+ATOM     11  CB  ALA     6       8.771 -10.801   1.227          0.006
+ATOM     12  CA  ALA     7       7.931 -12.235  -2.502          0.001
+ATOM     13  CB  ALA     7       7.212 -12.149  -2.451          0.022
+ATOM     14  CA  ALA     8      10.830 -12.026  -4.973          0.001
+ATOM     15  CB  ALA     8      11.085 -12.703  -4.862          0.004
+ATOM     16  CA  ALA     9       8.954  -9.872  -7.511          0.002
+ATOM     17  CB  ALA     9       8.292  -9.595  -7.677          0.009
+ATOM     18  CA  ALA    10      11.181  -6.862  -6.825          0.000
+ATOM     19  CB  ALA    10      11.220  -6.502  -6.173          0.001
+ATOM     20  CA  ALA    11      14.419  -6.591  -8.803          0.000
+ATOM     21  CB  ALA    11      14.446  -6.547  -9.544          0.001
+ATOM     22  CA  ALA    12      15.094  -3.086  -7.465          0.000
+ATOM     23  CB  ALA    12      14.607  -2.590  -7.723          0.000
+ATOM     24  CA  ALA    13      16.203  -2.604  -3.863          0.000
+ATOM     25  CB  ALA    13      16.882  -2.342  -3.735          0.000
+ATOM     26  CA  CYS    14      13.891  -2.333  -0.856          0.000
+ATOM     27  CB  CYS    14      13.180  -3.335  -0.666          0.000
+ATOM     28  CA  ALA    15      16.588  -1.082   1.536          0.000
+ATOM     29  CB  ALA    15      17.213  -1.488   1.554          0.000
+ATOM     30  CA  ALA    16      17.648   2.481   2.334          0.000
+ATOM     31  CB  ALA    16      17.418   2.775   2.975          0.000
+ATOM     32  CA  ALA    17      20.548   4.465   0.880          0.000
+ATOM     33  CB  ALA    17      20.531   4.827   0.232          0.000
+ATOM     34  CA  GLY    18      20.426   7.071   3.655          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   25.64                                       ENERGY     1.62800E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.611   1.095   0.072          0.018
+ATOM      2  CA  ALA     2       3.234  -0.160   0.194          0.018
+ATOM      3  CB  ALA     2       3.648   0.079   0.661          0.029
+ATOM      4  CA  ALA     3       4.792  -3.276  -0.722          0.167
+ATOM      5  CB  ALA     3       5.484  -3.298  -1.017          0.782
+ATOM      6  CA  ALA     4       7.111  -5.647   1.300          0.038
+ATOM      7  CB  ALA     4       6.716  -5.849   1.906          0.025
+ATOM      8  CA  CYS     5       9.582  -7.145  -0.939          0.016
+ATOM      9  CB  CYS     5      10.616  -6.512  -0.986          0.002
+ATOM     10  CA  ALA     6       9.265 -10.687   0.670          0.004
+ATOM     11  CB  ALA     6       8.771 -10.802   1.226          0.005
+ATOM     12  CA  ALA     7       7.931 -12.235  -2.503          0.002
+ATOM     13  CB  ALA     7       7.212 -12.148  -2.453          0.021
+ATOM     14  CA  ALA     8      10.830 -12.027  -4.973          0.001
+ATOM     15  CB  ALA     8      11.085 -12.704  -4.862          0.004
+ATOM     16  CA  ALA     9       8.953  -9.872  -7.510          0.002
+ATOM     17  CB  ALA     9       8.291  -9.596  -7.676          0.009
+ATOM     18  CA  ALA    10      11.181  -6.862  -6.825          0.000
+ATOM     19  CB  ALA    10      11.220  -6.502  -6.173          0.001
+ATOM     20  CA  ALA    11      14.419  -6.591  -8.803          0.000
+ATOM     21  CB  ALA    11      14.447  -6.547  -9.544          0.001
+ATOM     22  CA  ALA    12      15.093  -3.086  -7.465          0.000
+ATOM     23  CB  ALA    12      14.607  -2.590  -7.723          0.000
+ATOM     24  CA  ALA    13      16.203  -2.604  -3.863          0.000
+ATOM     25  CB  ALA    13      16.883  -2.343  -3.735          0.000
+ATOM     26  CA  CYS    14      13.891  -2.333  -0.856          0.000
+ATOM     27  CB  CYS    14      13.180  -3.334  -0.666          0.000
+ATOM     28  CA  ALA    15      16.588  -1.082   1.536          0.000
+ATOM     29  CB  ALA    15      17.213  -1.488   1.554          0.000
+ATOM     30  CA  ALA    16      17.648   2.481   2.334          0.000
+ATOM     31  CB  ALA    16      17.418   2.775   2.975          0.000
+ATOM     32  CA  ALA    17      20.548   4.465   0.880          0.000
+ATOM     33  CB  ALA    17      20.531   4.827   0.232          0.000
+ATOM     34  CA  GLY    18      20.426   7.071   3.655          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   26.44                                       ENERGY     9.89480E+00
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.631   1.085   0.067          0.031
+ATOM      2  CA  ALA     2       3.220  -0.182   0.195          0.127
+ATOM      3  CB  ALA     2       3.658   0.104   0.721          0.012
+ATOM      4  CA  ALA     3       4.872  -3.249  -0.889          0.157
+ATOM      5  CB  ALA     3       5.526  -3.358  -0.856          0.729
+ATOM      6  CA  ALA     4       7.019  -5.587   1.315          0.023
+ATOM      7  CB  ALA     4       6.678  -5.869   1.906          0.034
+ATOM      8  CA  CYS     5       9.582  -7.186  -0.937          0.017
+ATOM      9  CB  CYS     5      10.636  -6.509  -0.992          0.007
+ATOM     10  CA  ALA     6       9.266 -10.677   0.705          0.001
+ATOM     11  CB  ALA     6       8.770 -10.818   1.230          0.002
+ATOM     12  CA  ALA     7       7.949 -12.189  -2.506          0.001
+ATOM     13  CB  ALA     7       7.202 -12.118  -2.493          0.004
+ATOM     14  CA  ALA     8      10.850 -12.045  -4.997          0.000
+ATOM     15  CB  ALA     8      11.085 -12.731  -4.882          0.002
+ATOM     16  CA  ALA     9       8.938  -9.867  -7.483          0.000
+ATOM     17  CB  ALA     9       8.266  -9.617  -7.656          0.002
+ATOM     18  CA  ALA    10      11.188  -6.873  -6.819          0.000
+ATOM     19  CB  ALA    10      11.213  -6.508  -6.174          0.000
+ATOM     20  CA  ALA    11      14.416  -6.587  -8.804          0.000
+ATOM     21  CB  ALA    11      14.454  -6.545  -9.541          0.000
+ATOM     22  CA  ALA    12      15.095  -3.084  -7.468          0.000
+ATOM     23  CB  ALA    12      14.605  -2.589  -7.720          0.000
+ATOM     24  CA  ALA    13      16.203  -2.606  -3.863          0.000
+ATOM     25  CB  ALA    13      16.889  -2.343  -3.735          0.000
+ATOM     26  CA  CYS    14      13.888  -2.332  -0.853          0.000
+ATOM     27  CB  CYS    14      13.179  -3.331  -0.665          0.000
+ATOM     28  CA  ALA    15      16.588  -1.083   1.533          0.000
+ATOM     29  CB  ALA    15      17.212  -1.489   1.555          0.000
+ATOM     30  CA  ALA    16      17.649   2.480   2.334          0.000
+ATOM     31  CB  ALA    16      17.418   2.775   2.974          0.000
+ATOM     32  CA  ALA    17      20.549   4.465   0.881          0.000
+ATOM     33  CB  ALA    17      20.533   4.826   0.233          0.000
+ATOM     34  CA  GLY    18      20.425   7.071   3.654          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   26.45                                       ENERGY     1.27391E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.633   1.086   0.067          0.030
+ATOM      2  CA  ALA     2       3.223  -0.187   0.195          0.122
+ATOM      3  CB  ALA     2       3.658   0.103   0.721          0.010
+ATOM      4  CA  ALA     3       4.876  -3.240  -0.892          0.169
+ATOM      5  CB  ALA     3       5.516  -3.357  -0.855          0.749
+ATOM      6  CA  ALA     4       7.023  -5.593   1.315          0.024
+ATOM      7  CB  ALA     4       6.678  -5.871   1.906          0.036
+ATOM      8  CA  CYS     5       9.579  -7.184  -0.935          0.018
+ATOM      9  CB  CYS     5      10.635  -6.508  -0.991          0.007
+ATOM     10  CA  ALA     6       9.266 -10.679   0.705          0.001
+ATOM     11  CB  ALA     6       8.770 -10.818   1.230          0.002
+ATOM     12  CA  ALA     7       7.949 -12.188  -2.506          0.001
+ATOM     13  CB  ALA     7       7.203 -12.117  -2.493          0.004
+ATOM     14  CA  ALA     8      10.850 -12.045  -4.997          0.000
+ATOM     15  CB  ALA     8      11.085 -12.731  -4.882          0.002
+ATOM     16  CA  ALA     9       8.937  -9.867  -7.483          0.000
+ATOM     17  CB  ALA     9       8.265  -9.617  -7.656          0.002
+ATOM     18  CA  ALA    10      11.188  -6.873  -6.819          0.000
+ATOM     19  CB  ALA    10      11.213  -6.508  -6.174          0.000
+ATOM     20  CA  ALA    11      14.416  -6.587  -8.804          0.000
+ATOM     21  CB  ALA    11      14.455  -6.545  -9.541          0.000
+ATOM     22  CA  ALA    12      15.095  -3.084  -7.468          0.000
+ATOM     23  CB  ALA    12      14.605  -2.588  -7.720          0.000
+ATOM     24  CA  ALA    13      16.203  -2.606  -3.863          0.000
+ATOM     25  CB  ALA    13      16.889  -2.343  -3.735          0.000
+ATOM     26  CA  CYS    14      13.888  -2.332  -0.853          0.000
+ATOM     27  CB  CYS    14      13.179  -3.331  -0.665          0.000
+ATOM     28  CA  ALA    15      16.588  -1.083   1.534          0.000
+ATOM     29  CB  ALA    15      17.212  -1.489   1.555          0.000
+ATOM     30  CA  ALA    16      17.649   2.480   2.334          0.000
+ATOM     31  CB  ALA    16      17.418   2.775   2.974          0.000
+ATOM     32  CA  ALA    17      20.549   4.465   0.881          0.000
+ATOM     33  CB  ALA    17      20.533   4.826   0.233          0.000
+ATOM     34  CA  GLY    18      20.424   7.071   3.654          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   26.46                                       ENERGY     1.46123E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.634   1.087   0.067          0.029
+ATOM      2  CA  ALA     2       3.224  -0.190   0.195          0.119
+ATOM      3  CB  ALA     2       3.658   0.102   0.721          0.009
+ATOM      4  CA  ALA     3       4.879  -3.235  -0.894          0.177
+ATOM      5  CB  ALA     3       5.510  -3.357  -0.855          0.761
+ATOM      6  CA  ALA     4       7.026  -5.596   1.315          0.025
+ATOM      7  CB  ALA     4       6.678  -5.872   1.907          0.037
+ATOM      8  CA  CYS     5       9.577  -7.182  -0.934          0.018
+ATOM      9  CB  CYS     5      10.635  -6.508  -0.991          0.007
+ATOM     10  CA  ALA     6       9.267 -10.679   0.705          0.001
+ATOM     11  CB  ALA     6       8.770 -10.819   1.230          0.002
+ATOM     12  CA  ALA     7       7.949 -12.187  -2.506          0.001
+ATOM     13  CB  ALA     7       7.203 -12.117  -2.494          0.005
+ATOM     14  CA  ALA     8      10.850 -12.045  -4.997          0.000
+ATOM     15  CB  ALA     8      11.085 -12.731  -4.883          0.002
+ATOM     16  CA  ALA     9       8.937  -9.867  -7.482          0.001
+ATOM     17  CB  ALA     9       8.265  -9.617  -7.656          0.003
+ATOM     18  CA  ALA    10      11.188  -6.873  -6.819          0.000
+ATOM     19  CB  ALA    10      11.213  -6.508  -6.174          0.000
+ATOM     20  CA  ALA    11      14.416  -6.587  -8.804          0.000
+ATOM     21  CB  ALA    11      14.455  -6.545  -9.541          0.000
+ATOM     22  CA  ALA    12      15.095  -3.084  -7.468          0.000
+ATOM     23  CB  ALA    12      14.605  -2.588  -7.720          0.000
+ATOM     24  CA  ALA    13      16.203  -2.606  -3.863          0.000
+ATOM     25  CB  ALA    13      16.889  -2.344  -3.735          0.000
+ATOM     26  CA  CYS    14      13.888  -2.332  -0.853          0.000
+ATOM     27  CB  CYS    14      13.179  -3.331  -0.665          0.000
+ATOM     28  CA  ALA    15      16.588  -1.083   1.534          0.000
+ATOM     29  CB  ALA    15      17.212  -1.489   1.555          0.000
+ATOM     30  CA  ALA    16      17.649   2.480   2.334          0.000
+ATOM     31  CB  ALA    16      17.418   2.775   2.974          0.000
+ATOM     32  CA  ALA    17      20.549   4.465   0.881          0.000
+ATOM     33  CB  ALA    17      20.533   4.826   0.233          0.000
+ATOM     34  CA  GLY    18      20.424   7.071   3.654          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   26.47                                       ENERGY     1.64552E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.635   1.087   0.067          0.028
+ATOM      2  CA  ALA     2       3.225  -0.193   0.195          0.116
+ATOM      3  CB  ALA     2       3.658   0.101   0.721          0.009
+ATOM      4  CA  ALA     3       4.882  -3.230  -0.896          0.185
+ATOM      5  CB  ALA     3       5.504  -3.356  -0.854          0.769
+ATOM      6  CA  ALA     4       7.029  -5.599   1.315          0.025
+ATOM      7  CB  ALA     4       6.679  -5.874   1.907          0.037
+ATOM      8  CA  CYS     5       9.575  -7.180  -0.933          0.018
+ATOM      9  CB  CYS     5      10.635  -6.507  -0.991          0.007
+ATOM     10  CA  ALA     6       9.267 -10.680   0.705          0.001
+ATOM     11  CB  ALA     6       8.770 -10.819   1.230          0.002
+ATOM     12  CA  ALA     7       7.949 -12.186  -2.506          0.001
+ATOM     13  CB  ALA     7       7.203 -12.117  -2.494          0.005
+ATOM     14  CA  ALA     8      10.851 -12.045  -4.998          0.000
+ATOM     15  CB  ALA     8      11.085 -12.731  -4.883          0.002
+ATOM     16  CA  ALA     9       8.937  -9.867  -7.482          0.001
+ATOM     17  CB  ALA     9       8.265  -9.617  -7.656          0.003
+ATOM     18  CA  ALA    10      11.188  -6.873  -6.819          0.000
+ATOM     19  CB  ALA    10      11.213  -6.508  -6.174          0.000
+ATOM     20  CA  ALA    11      14.416  -6.587  -8.804          0.000
+ATOM     21  CB  ALA    11      14.455  -6.545  -9.541          0.000
+ATOM     22  CA  ALA    12      15.095  -3.084  -7.468          0.000
+ATOM     23  CB  ALA    12      14.605  -2.588  -7.720          0.000
+ATOM     24  CA  ALA    13      16.203  -2.606  -3.863          0.000
+ATOM     25  CB  ALA    13      16.889  -2.344  -3.735          0.000
+ATOM     26  CA  CYS    14      13.888  -2.332  -0.853          0.000
+ATOM     27  CB  CYS    14      13.179  -3.331  -0.665          0.000
+ATOM     28  CA  ALA    15      16.588  -1.083   1.534          0.000
+ATOM     29  CB  ALA    15      17.212  -1.489   1.555          0.000
+ATOM     30  CA  ALA    16      17.649   2.480   2.334          0.000
+ATOM     31  CB  ALA    16      17.418   2.775   2.974          0.000
+ATOM     32  CA  ALA    17      20.549   4.465   0.881          0.000
+ATOM     33  CB  ALA    17      20.533   4.826   0.233          0.000
+ATOM     34  CA  GLY    18      20.424   7.071   3.654          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   26.47                                       ENERGY     1.82519E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.636   1.088   0.067          0.027
+ATOM      2  CA  ALA     2       3.226  -0.196   0.195          0.112
+ATOM      3  CB  ALA     2       3.658   0.101   0.721          0.008
+ATOM      4  CA  ALA     3       4.885  -3.224  -0.898          0.193
+ATOM      5  CB  ALA     3       5.497  -3.355  -0.853          0.775
+ATOM      6  CA  ALA     4       7.031  -5.603   1.315          0.026
+ATOM      7  CB  ALA     4       6.679  -5.875   1.907          0.038
+ATOM      8  CA  CYS     5       9.574  -7.179  -0.932          0.019
+ATOM      9  CB  CYS     5      10.634  -6.507  -0.990          0.007
+ATOM     10  CA  ALA     6       9.268 -10.681   0.705          0.002
+ATOM     11  CB  ALA     6       8.769 -10.819   1.230          0.002
+ATOM     12  CA  ALA     7       7.949 -12.186  -2.506          0.001
+ATOM     13  CB  ALA     7       7.203 -12.116  -2.494          0.005
+ATOM     14  CA  ALA     8      10.851 -12.046  -4.998          0.000
+ATOM     15  CB  ALA     8      11.085 -12.732  -4.883          0.002
+ATOM     16  CA  ALA     9       8.937  -9.867  -7.482          0.001
+ATOM     17  CB  ALA     9       8.264  -9.618  -7.656          0.003
+ATOM     18  CA  ALA    10      11.188  -6.873  -6.818          0.000
+ATOM     19  CB  ALA    10      11.213  -6.508  -6.174          0.000
+ATOM     20  CA  ALA    11      14.416  -6.587  -8.804          0.000
+ATOM     21  CB  ALA    11      14.455  -6.545  -9.541          0.000
+ATOM     22  CA  ALA    12      15.095  -3.084  -7.468          0.000
+ATOM     23  CB  ALA    12      14.605  -2.588  -7.720          0.000
+ATOM     24  CA  ALA    13      16.203  -2.606  -3.863          0.000
+ATOM     25  CB  ALA    13      16.889  -2.344  -3.735          0.000
+ATOM     26  CA  CYS    14      13.888  -2.332  -0.853          0.000
+ATOM     27  CB  CYS    14      13.179  -3.331  -0.665          0.000
+ATOM     28  CA  ALA    15      16.588  -1.083   1.534          0.000
+ATOM     29  CB  ALA    15      17.212  -1.489   1.555          0.000
+ATOM     30  CA  ALA    16      17.649   2.480   2.334          0.000
+ATOM     31  CB  ALA    16      17.418   2.775   2.974          0.000
+ATOM     32  CA  ALA    17      20.549   4.465   0.881          0.000
+ATOM     33  CB  ALA    17      20.533   4.826   0.233          0.000
+ATOM     34  CA  GLY    18      20.424   7.071   3.654          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   26.48                                       ENERGY     1.96516E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.636   1.088   0.067          0.026
+ATOM      2  CA  ALA     2       3.227  -0.199   0.195          0.110
+ATOM      3  CB  ALA     2       3.658   0.100   0.721          0.008
+ATOM      4  CA  ALA     3       4.887  -3.220  -0.900          0.200
+ATOM      5  CB  ALA     3       5.492  -3.355  -0.853          0.780
+ATOM      6  CA  ALA     4       7.033  -5.606   1.315          0.026
+ATOM      7  CB  ALA     4       6.679  -5.876   1.908          0.038
+ATOM      8  CA  CYS     5       9.572  -7.178  -0.931          0.019
+ATOM      9  CB  CYS     5      10.634  -6.506  -0.990          0.007
+ATOM     10  CA  ALA     6       9.268 -10.681   0.705          0.002
+ATOM     11  CB  ALA     6       8.769 -10.819   1.230          0.002
+ATOM     12  CA  ALA     7       7.949 -12.185  -2.506          0.001
+ATOM     13  CB  ALA     7       7.203 -12.116  -2.495          0.006
+ATOM     14  CA  ALA     8      10.851 -12.046  -4.998          0.000
+ATOM     15  CB  ALA     8      11.085 -12.732  -4.883          0.002
+ATOM     16  CA  ALA     9       8.937  -9.867  -7.482          0.001
+ATOM     17  CB  ALA     9       8.264  -9.618  -7.655          0.003
+ATOM     18  CA  ALA    10      11.188  -6.873  -6.818          0.000
+ATOM     19  CB  ALA    10      11.213  -6.508  -6.174          0.000
+ATOM     20  CA  ALA    11      14.416  -6.587  -8.804          0.000
+ATOM     21  CB  ALA    11      14.455  -6.545  -9.541          0.000
+ATOM     22  CA  ALA    12      15.095  -3.084  -7.468          0.000
+ATOM     23  CB  ALA    12      14.605  -2.588  -7.720          0.000
+ATOM     24  CA  ALA    13      16.203  -2.606  -3.863          0.000
+ATOM     25  CB  ALA    13      16.889  -2.344  -3.735          0.000
+ATOM     26  CA  CYS    14      13.888  -2.332  -0.853          0.000
+ATOM     27  CB  CYS    14      13.179  -3.330  -0.665          0.000
+ATOM     28  CA  ALA    15      16.588  -1.083   1.534          0.000
+ATOM     29  CB  ALA    15      17.212  -1.489   1.555          0.000
+ATOM     30  CA  ALA    16      17.649   2.480   2.334          0.000
+ATOM     31  CB  ALA    16      17.418   2.775   2.974          0.000
+ATOM     32  CA  ALA    17      20.549   4.465   0.881          0.000
+ATOM     33  CB  ALA    17      20.533   4.826   0.232          0.000
+ATOM     34  CA  GLY    18      20.424   7.071   3.654          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   26.48                                       ENERGY     2.04995E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.636   1.089   0.067          0.025
+ATOM      2  CA  ALA     2       3.227  -0.200   0.195          0.108
+ATOM      3  CB  ALA     2       3.657   0.100   0.721          0.008
+ATOM      4  CA  ALA     3       4.889  -3.218  -0.901          0.204
+ATOM      5  CB  ALA     3       5.489  -3.355  -0.853          0.781
+ATOM      6  CA  ALA     4       7.035  -5.607   1.315          0.026
+ATOM      7  CB  ALA     4       6.679  -5.877   1.908          0.039
+ATOM      8  CA  CYS     5       9.571  -7.177  -0.930          0.019
+ATOM      9  CB  CYS     5      10.634  -6.506  -0.990          0.006
+ATOM     10  CA  ALA     6       9.269 -10.681   0.704          0.002
+ATOM     11  CB  ALA     6       8.769 -10.819   1.230          0.002
+ATOM     12  CA  ALA     7       7.949 -12.185  -2.506          0.001
+ATOM     13  CB  ALA     7       7.203 -12.116  -2.495          0.006
+ATOM     14  CA  ALA     8      10.851 -12.046  -4.998          0.000
+ATOM     15  CB  ALA     8      11.085 -12.732  -4.883          0.002
+ATOM     16  CA  ALA     9       8.937  -9.867  -7.482          0.001
+ATOM     17  CB  ALA     9       8.264  -9.618  -7.655          0.004
+ATOM     18  CA  ALA    10      11.188  -6.873  -6.818          0.000
+ATOM     19  CB  ALA    10      11.213  -6.508  -6.174          0.000
+ATOM     20  CA  ALA    11      14.416  -6.587  -8.804          0.000
+ATOM     21  CB  ALA    11      14.455  -6.545  -9.541          0.000
+ATOM     22  CA  ALA    12      15.095  -3.084  -7.468          0.000
+ATOM     23  CB  ALA    12      14.605  -2.588  -7.720          0.000
+ATOM     24  CA  ALA    13      16.203  -2.606  -3.863          0.000
+ATOM     25  CB  ALA    13      16.889  -2.344  -3.735          0.000
+ATOM     26  CA  CYS    14      13.888  -2.332  -0.853          0.000
+ATOM     27  CB  CYS    14      13.179  -3.330  -0.665          0.000
+ATOM     28  CA  ALA    15      16.588  -1.083   1.534          0.000
+ATOM     29  CB  ALA    15      17.212  -1.489   1.555          0.000
+ATOM     30  CA  ALA    16      17.649   2.480   2.334          0.000
+ATOM     31  CB  ALA    16      17.418   2.775   2.974          0.000
+ATOM     32  CA  ALA    17      20.549   4.465   0.881          0.000
+ATOM     33  CB  ALA    17      20.533   4.826   0.232          0.000
+ATOM     34  CA  GLY    18      20.424   7.071   3.654          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   26.49                                       ENERGY     2.13272E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.636   1.089   0.067          0.024
+ATOM      2  CA  ALA     2       3.227  -0.201   0.195          0.106
+ATOM      3  CB  ALA     2       3.657   0.100   0.721          0.008
+ATOM      4  CA  ALA     3       4.891  -3.215  -0.902          0.208
+ATOM      5  CB  ALA     3       5.486  -3.355  -0.852          0.782
+ATOM      6  CA  ALA     4       7.036  -5.609   1.315          0.026
+ATOM      7  CB  ALA     4       6.679  -5.878   1.908          0.039
+ATOM      8  CA  CYS     5       9.570  -7.176  -0.929          0.019
+ATOM      9  CB  CYS     5      10.634  -6.506  -0.990          0.006
+ATOM     10  CA  ALA     6       9.269 -10.682   0.704          0.002
+ATOM     11  CB  ALA     6       8.769 -10.820   1.231          0.002
+ATOM     12  CA  ALA     7       7.949 -12.185  -2.506          0.001
+ATOM     13  CB  ALA     7       7.203 -12.116  -2.495          0.006
+ATOM     14  CA  ALA     8      10.851 -12.046  -4.998          0.000
+ATOM     15  CB  ALA     8      11.085 -12.732  -4.883          0.003
+ATOM     16  CA  ALA     9       8.937  -9.867  -7.482          0.001
+ATOM     17  CB  ALA     9       8.264  -9.618  -7.655          0.004
+ATOM     18  CA  ALA    10      11.188  -6.873  -6.818          0.000
+ATOM     19  CB  ALA    10      11.213  -6.508  -6.174          0.000
+ATOM     20  CA  ALA    11      14.416  -6.587  -8.804          0.000
+ATOM     21  CB  ALA    11      14.455  -6.545  -9.541          0.000
+ATOM     22  CA  ALA    12      15.095  -3.084  -7.468          0.000
+ATOM     23  CB  ALA    12      14.605  -2.588  -7.720          0.000
+ATOM     24  CA  ALA    13      16.203  -2.606  -3.863          0.000
+ATOM     25  CB  ALA    13      16.889  -2.344  -3.735          0.000
+ATOM     26  CA  CYS    14      13.888  -2.332  -0.853          0.000
+ATOM     27  CB  CYS    14      13.179  -3.330  -0.665          0.000
+ATOM     28  CA  ALA    15      16.588  -1.083   1.534          0.000
+ATOM     29  CB  ALA    15      17.212  -1.489   1.555          0.000
+ATOM     30  CA  ALA    16      17.649   2.480   2.334          0.000
+ATOM     31  CB  ALA    16      17.418   2.775   2.974          0.000
+ATOM     32  CA  ALA    17      20.549   4.465   0.881          0.000
+ATOM     33  CB  ALA    17      20.533   4.826   0.232          0.000
+ATOM     34  CA  GLY    18      20.424   7.071   3.654          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time   26.49                                       ENERGY     2.21330E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.636   1.089   0.067          0.024
+ATOM      2  CA  ALA     2       3.227  -0.203   0.195          0.104
+ATOM      3  CB  ALA     2       3.657   0.099   0.721          0.009
+ATOM      4  CA  ALA     3       4.893  -3.213  -0.903          0.212
+ATOM      5  CB  ALA     3       5.483  -3.354  -0.852          0.781
+ATOM      6  CA  ALA     4       7.037  -5.611   1.315          0.026
+ATOM      7  CB  ALA     4       6.679  -5.878   1.908          0.039
+ATOM      8  CA  CYS     5       9.570  -7.175  -0.929          0.019
+ATOM      9  CB  CYS     5      10.634  -6.506  -0.990          0.006
+ATOM     10  CA  ALA     6       9.269 -10.682   0.704          0.002
+ATOM     11  CB  ALA     6       8.769 -10.820   1.231          0.002
+ATOM     12  CA  ALA     7       7.949 -12.184  -2.506          0.001
+ATOM     13  CB  ALA     7       7.203 -12.116  -2.495          0.006
+ATOM     14  CA  ALA     8      10.851 -12.046  -4.998          0.000
+ATOM     15  CB  ALA     8      11.085 -12.732  -4.883          0.003
+ATOM     16  CA  ALA     9       8.936  -9.867  -7.481          0.001
+ATOM     17  CB  ALA     9       8.264  -9.618  -7.655          0.004
+ATOM     18  CA  ALA    10      11.188  -6.873  -6.818          0.000
+ATOM     19  CB  ALA    10      11.213  -6.508  -6.174          0.000
+ATOM     20  CA  ALA    11      14.416  -6.587  -8.804          0.000
+ATOM     21  CB  ALA    11      14.455  -6.545  -9.541          0.000
+ATOM     22  CA  ALA    12      15.095  -3.084  -7.468          0.000
+ATOM     23  CB  ALA    12      14.605  -2.588  -7.720          0.000
+ATOM     24  CA  ALA    13      16.203  -2.606  -3.863          0.000
+ATOM     25  CB  ALA    13      16.889  -2.344  -3.735          0.000
+ATOM     26  CA  CYS    14      13.888  -2.332  -0.853          0.000
+ATOM     27  CB  CYS    14      13.179  -3.330  -0.665          0.000
+ATOM     28  CA  ALA    15      16.588  -1.083   1.534          0.000
+ATOM     29  CB  ALA    15      17.212  -1.489   1.555          0.000
+ATOM     30  CA  ALA    16      17.649   2.480   2.334          0.000
+ATOM     31  CB  ALA    16      17.418   2.775   2.974          0.000
+ATOM     32  CA  ALA    17      20.549   4.465   0.881          0.000
+ATOM     33  CB  ALA    17      20.533   4.826   0.232          0.000
+ATOM     34  CA  GLY    18      20.424   7.071   3.654          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/unres_eval.csh b/examples/unres/new/MD/DYN_SS/dyn_ss/unres_eval.csh
index 787be7f..2410e2b 100755
--- a/examples/unres/new/MD/DYN_SS/dyn_ss/unres_eval.csh
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss/unres_eval.csh
@@ -1,7 +1,7 @@
 #!/bin/csh
 setenv FGPROCS 1
 setenv POT GB
-setenv PREFIX small
+setenv PREFIX small_s
 setenv OUT1FILE NO
 #-----------------------------------------------------------------------------
 setenv UNRES_BIN /users/czarek/UNRES/GIT/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small.inp b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small.inp
new file mode 100644
index 0000000..af83513
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small.inp
@@ -0,0 +1,13 @@
+small
+SEED=-1111333 CHECKGRAD CART ONE_LETTER pdbstart UNRES_PDB 
+WLONG=1.00000 WSCP=0.00000 WELEC=0.00000 WBOND=0.00000 WANG=0.00000            &
+WSCLOC=0.00000 WTOR=0.00000 WTORD=0.00000 WCORRH=0.00000 WCORR5=0.00000        &
+WCORR6=0.00000 WEL_LOC=0.00000 WTURN3=0.00000 WTURN4=0.00000 WTURN6=0.00000    &
+WVDWPP=0.00000 WHPB=0.00000                                                    &
+CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0 dyn_ss
+ss.pdb
+2 5 14
+0 5 14
+ 0
+0 0 0 0
+300
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small.intin b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small.intin
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small.out_GB000 b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small.out_GB000
new file mode 100644
index 0000000..41eebac
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small.out_GB000
@@ -0,0 +1,1619 @@
+--------------------------------------------------------------------------------
+                              FILE ASSIGNMENT
+--------------------------------------------------------------------------------
+ Input file                      : small.inp
+ Output file                     : small.out_GB000
+ 
+ Sidechain potential file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-
+ 10-8k
+ SCp potential file              : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm
+ Electrostatic potential file    : 
+ /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm
+ Cumulant coefficient file       : 
+ /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ Torsional parameter file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm
+ Double torsional parameter file : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/czarek/UNRES/GIT/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm
+ Bending parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm
+ Rotamer parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm
+ Threading database              : 
+ /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart
+--------------------------------------------------------------------------------
+********************************************************************************
+United-residue force field calculation - parallel job.
+********************************************************************************
+ ### LAST MODIFIED  03/28/12 23:29 by czarek
+ ++++ Compile info ++++
+ Version 3.1 build 47
+ compiled Fri Feb 15 08:14:44 2013
+ compiled by czarek@piasek3
+ OS name:    Linux 
+ OS release: 2.6.32-42-generic 
+ OS version: #96-Ubuntu SMP Wed Aug 15 19:37:37 UTC 2012 
+ flags:
+ INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
+ FC= ifort
+ OPT =  -O3 -ip -w 
+ FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
+ FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
+ FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
+ FFLAGSE = -c -w -O3 -ipo -ipo_obj  -opt_report ...
+ LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...
+ ARCH = LINUX
+ PP = /lib/cpp -P
+ object = unres.o arcos.o cartprint.o chainbuild...
+ GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ...
+ GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP...
+ E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR...
+ E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort...
+ ++++ End of compile info ++++
+
+Potential is GB , exponents are   6 12
+
+Disulfide bridge parameters:
+S-S bridge energy:      -5.50
+d0cm:      3.78 akcm:     15.10
+akth:     11.00 akct:     12.00
+v1ss:     -1.08 v2ss:      7.61 v3ss:     13.70
+ MPI: node=            0  iseed(4)=            0           0         -16
+      -62756
+ ran_num  6.422640197456531E-013
+RMSDBC =        3.0
+RMSDBC1 =        0.5
+RMSDBC1MAX =        1.5
+DRMS    =        0.1
+RMSDBCM =        3.0
+Time limit (min):     960.0
+ RESCALE_MODE           2
+Library  routine used to diagonalize matrices.
+
+Energy-term weights (unscaled):
+
+WSCC=     1.000000 (SC-SC)
+WSCP=     0.000000 (SC-p)
+WELEC=    0.000000 (p-p electr)
+WVDWPP=   0.000000 (p-p VDW)
+WBOND=    0.000000 (stretching)
+WANG=     0.000000 (bending)
+WSCLOC=   0.000000 (SC local)
+WTOR=     0.000000 (torsional)
+WTORD=    0.000000 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  0.000000 (multi-body 3-rd order)
+WCORR4=   0.000000 (multi-body 4th order)
+WCORR5=   0.000000 (multi-body 5th order)
+WCORR6=   0.000000 (multi-body 6th order)
+WSCCOR=   0.000000 (back-scloc correlation)
+WTURN3=   0.000000 (turns, 3rd order)
+WTURN4=   0.000000 (turns, 4th order)
+WTURN6=   0.000000 (turns, 6th order)
+Scaling factor of 1,4 SC-p interactions:   0.400
+General scaling factor of SC-p interactions:   1.000
+
+Energy-term weights (scaled):
+
+WSCC=     1.000000 (SC-SC)
+WSCP=     0.000000 (SC-p)
+WELEC=    0.000000 (p-p electr)
+WVDWPP=   0.000000 (p-p VDW)
+WBOND=    0.000000 (stretching)
+WANG=     0.000000 (bending)
+WSCLOC=   0.000000 (SC local)
+WTOR=     0.000000 (torsional)
+WTORD=    0.000000 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  0.000000 (multi-body 3-rd order)
+WCORR4=   0.000000 (multi-body 4th order)
+WCORR5=   0.000000 (multi-body 5th order)
+WCORR6=   0.000000 (multi-body 6th order)
+WSCCOR=   0.000000 (back-scloc correlatkion)
+WTURN3=   0.000000 (turns, 3rd order)
+WTURN4=   0.000000 (turns, 4th order)
+WTURN6=   0.000000 (turns, 6th order)
+ Reference temperature for weights calculation:   300.000000000000     
+ Parameters of the SS-bond potential:
+ D0CM   3.78000000000000       AKCM   15.1000000000000       AKTH
+   11.0000000000000       AKCT   12.0000000000000     
+ V1SS  -1.08000000000000       V2SS   7.61000000000000       V3SS
+   13.7000000000000     
+ EBR  -5.50000000000000       SS_DEPTH  -6.90133843152500     
+  HT  -1.40133843152500     
+PDB data will be read from file ss.pdb
+ Nres:    18
+Backbone and SC coordinates as read from the PDB
+  1 10  GLY  18.887 -10.163 -10.608       18.887 -10.163 -10.608
+  2  9  ALA  18.562  -9.885  -6.834       18.353  -9.134  -6.608
+  3  9  ALA  16.754 -11.361  -3.915       16.860 -12.098  -3.836
+  4  9  ALA  16.762  -9.897  -0.433       16.145  -9.572  -0.328
+  5  1  CYS  15.755 -12.524   2.082       16.051 -13.633   1.487
+  6  9  ALA  15.104 -12.916   5.816       14.965 -12.382   6.257
+  7  9  ALA  12.233 -15.298   5.159       11.752 -15.096   4.590
+  8  9  ALA  12.615 -18.906   4.131       12.996 -18.890   4.861
+  9  9  ALA   9.909 -21.356   3.181        9.333 -20.985   3.212
+ 10  9  ALA  10.743 -20.954  -0.478       10.850 -20.324  -0.915
+ 11  9  ALA  12.566 -23.869  -1.971       12.731 -24.062  -2.616
+ 12  9  ALA  15.810 -21.927  -1.726       15.774 -21.687  -2.426
+ 13  9  ALA  18.582 -20.075   0.198       19.150 -20.569   0.255
+ 14  1  CYS  19.577 -16.394  -0.296       18.494 -15.682  -0.508
+ 15  9  ALA  22.406 -14.224   1.116       23.137 -14.120   1.199
+ 16  9  ALA  22.651 -10.366   0.632       22.481  -9.688   0.945
+ 17  9  ALA  25.991  -8.590   0.178       26.589  -8.669   0.306
+ 18 10  GLY  26.757  -7.435  -3.316       26.757  -7.435  -3.316
+nsup= 18 nstart_sup=  1
+ After sideadd
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.798     0.000     0.000     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
+GLY  18     3.759   115.636   105.386     0.000     0.000     0.000
+ ITEL
+           1          10           1
+           2           9           1
+           3           9           1
+           4           9           1
+           5           1           1
+           6           9           1
+           7           9           1
+           8           9           1
+           9           9           1
+          10           9           1
+          11           9           1
+          12           9           1
+          13           9           1
+          14           1           1
+          15           9           1
+          16           9           1
+          17           9           1
+ ns=           2  iss:           5          14
+ nss=           0  ihpb,jhpb: 
+Boundaries in phi angle sampling:
+GLY    1    -180.0     180.0
+ALA    2    -180.0     180.0
+ALA    3    -180.0     180.0
+ALA    4    -180.0     180.0
+CYS    5    -180.0     180.0
+ALA    6    -180.0     180.0
+ALA    7    -180.0     180.0
+ALA    8    -180.0     180.0
+ALA    9    -180.0     180.0
+ALA   10    -180.0     180.0
+ALA   11    -180.0     180.0
+ALA   12    -180.0     180.0
+ALA   13    -180.0     180.0
+CYS   14    -180.0     180.0
+ALA   15    -180.0     180.0
+ALA   16    -180.0     180.0
+ALA   17    -180.0     180.0
+GLY   18    -180.0     180.0
+ NZ_START=           1  NZ_END=          18
+ IZ_SC=           0
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.798     0.000     0.000     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
+GLY  18     3.759   115.636   105.386     0.000     0.000     0.000
+
+The chain contains  2 disulfide-bridging cysteines.
+   5  14
+ Running with dynamic disulfide-bond formation
+ Processor           0  CG group           0  absolute rank           0  nhpb
+           0  link_start=           1  link_end           0
+
+
+********************************************************************************
+                    Processor   0: end reading molecular data.
+********************************************************************************
+
+
+Checking energy gradient calculation.
+
+********************************************************************************
+
+ nset           0  nfrag           0  npair           0  nfrag_back           0
+
+
+              alpha-carbon coordinates            centroid coordinates
+             X           Y           Z          X           Y           Z
+GLY(  1)     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+ALA(  2)    -0.32500     0.27800     3.77400    -0.53400     1.02900     4.00000
+ALA(  3)    -2.13300    -1.19800     6.69300    -2.02700    -1.93500     6.77200
+ALA(  4)    -2.12500     0.26600    10.17500    -2.74200     0.59100    10.28000
+CYS(  5)    -3.13200    -2.36100    12.69000    -2.83600    -3.47000    12.09500
+ALA(  6)    -3.78300    -2.75300    16.42400    -3.92200    -2.21900    16.86500
+ALA(  7)    -6.65400    -5.13500    15.76700    -7.13500    -4.93300    15.19800
+ALA(  8)    -6.27200    -8.74300    14.73900    -5.89100    -8.72700    15.46900
+ALA(  9)    -8.97800   -11.19300    13.78900    -9.55400   -10.82200    13.82000
+ALA( 10)    -8.14400   -10.79100    10.13000    -8.03700   -10.16100     9.69300
+ALA( 11)    -6.32100   -13.70600     8.63700    -6.15600   -13.89900     7.99200
+ALA( 12)    -3.07700   -11.76400     8.88200    -3.11300   -11.52400     8.18200
+ALA( 13)    -0.30500    -9.91200    10.80600     0.26300   -10.40600    10.86300
+CYS( 14)     0.69000    -6.23100    10.31200    -0.39300    -5.51900    10.10000
+ALA( 15)     3.51900    -4.06100    11.72400     4.25000    -3.95700    11.80700
+ALA( 16)     3.76400    -0.20300    11.24000     3.59400     0.47500    11.55300
+ALA( 17)     7.10400     1.57300    10.78600     7.70200     1.49400    10.91400
+GLY( 18)     7.87000     2.72800     7.29200     7.87000     2.72800     7.29200
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.798     0.000     0.000     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
+GLY  18     3.759   115.636   105.386     0.000   180.000   180.000
+  SSBOND_E_FORM        1.00   300.0    5   14
+  -2.45807230412659        1.80470453017382        1.51703832903295     
+   1.36361780614768       -1.07966110591645       -8.24037709937597     
+ -0.583413722888288        2.94514699746781       0.324010167381677     
+  0.909409858784598      -0.290847491518841       -3.27083700293583     
+ dyn_ssbond_ene   -6.26042659661812     
+    SSBOND_FORM        1.00   300.0    5   14
+
+Virtual-chain energies:
+
+EVDW=     -3.549037E+01 WEIGHT=    1.000000E+00 (SC-SC)
+EVDW2=     0.000000E+00 WEIGHT=    0.000000E+00 (SC-p)
+EES=       0.000000E+00 WEIGHT=    0.000000E+00 (p-p)
+EVDWPP=    0.000000E+00 WEIGHT=    0.000000E+00 (p-p VDW)
+ESTR=      1.857136E+01 WEIGHT=    0.000000E+00 (stretching)
+EBE=       0.000000E+00 WEIGHT=    0.000000E+00 (bending)
+ESC=       5.355337E+01 WEIGHT=    0.000000E+00 (SC local)
+ETORS=     0.000000E+00 WEIGHT=    0.000000E+00 (torsional)
+ETORSD=    0.000000E+00 WEIGHT=    0.000000E+00 (double torsional)
+EHPB=      0.000000E+00 WEIGHT=    1.000000E+00 (SS bridges & dist. cnstr.)
+ECORR4=    0.000000E+00 WEIGHT=    0.000000E+00 (multi-body)
+ECORR5=    0.000000E+00 WEIGHT=    0.000000E+00 (multi-body)
+ECORR6=    0.000000E+00 WEIGHT=    0.000000E+00 (multi-body)
+EELLO=     0.000000E+00 WEIGHT=    0.000000E+00 (electrostatic-local)
+ETURN3=    0.000000E+00 WEIGHT=    0.000000E+00 (turns, 3rd order)
+ETURN4=    0.000000E+00 WEIGHT=    0.000000E+00 (turns, 4th order)
+ETURN6=    0.000000E+00 WEIGHT=    0.000000E+00 (turns, 6th order)
+ESCCOR=    0.000000E+00 WEIGHT=    0.000000E+00 (backbone-rotamer corr)
+EDIHC=     0.000000E+00 (dihedral angle constraints)
+ESS=      -5.500000E+00 (disulfide-bridge intrinsic energy)
+UCONST=     0.000000E+00 (Constraint energy)
+ETOT=     -3.549037E+01 (total)
+ Uconst  0.000000000000000E+000  Uconst_back  0.000000000000000E+000
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.798     0.000     0.000     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
+GLY  18     3.759   115.636   105.386     0.000   180.000   180.000
+ Calling CHECK_ECARTINT.
+  -2.45807230412659        1.80470453017382        1.51703832903295     
+   1.36361780614768       -1.07966110591645       -8.24037709937597     
+ -0.583413722888288        2.94514699746781       0.324010167381677     
+  0.909409858784598      -0.290847491518841       -3.27083700293583     
+ dyn_ssbond_ene   -6.26042659661812     
+
+Virtual-chain energies:
+
+EVDW=     -3.549037E+01 WEIGHT=    1.000000E+00 (SC-SC)
+EVDW2=     0.000000E+00 WEIGHT=    0.000000E+00 (SC-p)
+EES=       0.000000E+00 WEIGHT=    0.000000E+00 (p-p)
+EVDWPP=    0.000000E+00 WEIGHT=    0.000000E+00 (p-p VDW)
+ESTR=      1.857136E+01 WEIGHT=    0.000000E+00 (stretching)
+EBE=       0.000000E+00 WEIGHT=    0.000000E+00 (bending)
+ESC=       5.355337E+01 WEIGHT=    0.000000E+00 (SC local)
+ETORS=     0.000000E+00 WEIGHT=    0.000000E+00 (torsional)
+ETORSD=    0.000000E+00 WEIGHT=    0.000000E+00 (double torsional)
+EHPB=      0.000000E+00 WEIGHT=    1.000000E+00 (SS bridges & dist. cnstr.)
+ECORR4=    0.000000E+00 WEIGHT=    0.000000E+00 (multi-body)
+ECORR5=    0.000000E+00 WEIGHT=    0.000000E+00 (multi-body)
+ECORR6=    0.000000E+00 WEIGHT=    0.000000E+00 (multi-body)
+EELLO=     0.000000E+00 WEIGHT=    0.000000E+00 (electrostatic-local)
+ETURN3=    0.000000E+00 WEIGHT=    0.000000E+00 (turns, 3rd order)
+ETURN4=    0.000000E+00 WEIGHT=    0.000000E+00 (turns, 4th order)
+ETURN6=    0.000000E+00 WEIGHT=    0.000000E+00 (turns, 6th order)
+ESCCOR=    0.000000E+00 WEIGHT=    0.000000E+00 (backbone-rotamer corr)
+EDIHC=     0.000000E+00 (dihedral angle constraints)
+ESS=      -5.500000E+00 (disulfide-bridge intrinsic energy)
+UCONST=     0.000000E+00 (Constraint energy)
+ETOT=     -3.549037E+01 (total)
+ enter cartgrad
+ exit cartgrad
+    1   0.00000   0.00000   0.00000
+    2   0.00000   0.00000   0.00000
+    3   0.00000   0.00000   0.00000
+    4   0.00000   0.00000   0.00000
+    5   0.00000   0.00000   0.00000
+    6   0.00000   0.00000   0.00000
+    7   0.00000   0.00000   0.00000
+    8   0.00000   0.00000   0.00000
+    9   0.00000   0.00000   0.00000
+   10   0.00000   0.00000   0.00000
+   11   0.00000   0.00000   0.00000
+   12   0.00000   0.00000   0.00000
+   13   0.00000   0.00000   0.00000
+   14   0.00000   0.00000   0.00000
+   15   0.00000   0.00000   0.00000
+   16   0.00000   0.00000   0.00000
+   17   0.00000   0.00000   0.00000
+   18   0.00000   0.00000   0.00000
+
+Gradient in virtual-bond and SC vectors
+
+  -5.30343170176062        3.55140758761203        3.02387792575158     
+   2.82132574149277       -2.00727956280365       -16.6814439972252     
+  -1.44578264686287        5.85075012714655       0.657311949122939     
+   2.15449883331367      -6.235903949315585E-002  -6.74296779838069     
+ dyn_ssbond_ene   -6.26042659661812     
+  -8.14879109939467        5.29811064505025        4.53071752247023     
+   4.27903367683787       -2.93489801969087       -25.1225108950744     
+  -2.30815157083746        8.75635325682529       0.990613730864206     
+   3.39958780784275       0.166129412532525       -10.2150985938256     
+ dyn_ssbond_ene   -6.26042659661811     
+  -10.9941504970287        7.04481370248847        6.03755711918887     
+   5.73674161218297       -3.86251647657807       -33.5635777929237     
+  -3.17052049481205        11.6619563865040        1.32391551260547     
+   4.64467678237184       0.394617864558206       -13.6872293892704     
+ dyn_ssbond_ene   -6.26042659661811     
+  -13.8395098946628        8.79151675992668        7.54439671590751     
+   7.19444954752807       -4.79013493346528       -42.0046446907729     
+  -4.03288941878664        14.5675595161828        1.65721729434674     
+   5.88976575690091       0.623106316583891       -17.1593601847153     
+ dyn_ssbond_ene   -6.26042659661812     
+  -16.6848692922968        10.5382198173649        9.05123631262612     
+   8.65215748287311       -5.71775339035253       -50.4457115886220     
+  -4.89525834276121        17.4731626458615        1.99051907608794     
+   7.13485473142997       0.851594768609562       -20.6314909801601     
+ dyn_ssbond_ene   -6.26042659661812     
+  -19.5302286899308        12.2849228748031        10.5580759093447     
+   10.1098654182182       -6.64537184723979       -58.8867784864711     
+  -5.75762726673577        20.3787657755402        2.32382085782915     
+   8.37994370595903        1.08008322063523       -24.1036217756049     
+ dyn_ssbond_ene   -6.26042659661812     
+  -22.3755880875648        14.0316259322413        12.0649155060634     
+   11.5675733535633       -7.57299030412700       -67.3278453843204     
+  -6.61999619071036        23.2843689052190        2.65712263957041     
+   9.62503268048810        1.30857167266091       -27.5757525710498     
+ dyn_ssbond_ene   -6.26042659661812     
+  -25.2209474851989        15.7783289896795        13.5717551027820     
+   13.0252812889083       -8.50060876101421       -75.7689122821696     
+  -7.48236511468494        26.1899720348977        2.99042442131167     
+   10.8701216550172        1.53706012468660       -31.0478833664946     
+ dyn_ssbond_ene   -6.26042659661812     
+  -28.0663068828329        17.5250320471177        15.0785946995006     
+   14.4829892242534       -9.42822721790141       -84.2099791800188     
+  -8.34473403865953        29.0955751645765        3.32372620305294     
+   12.1152106295462        1.76554857671228       -34.5200141619395     
+ dyn_ssbond_ene   -6.26042659661812     
+  -30.9116662804669        19.2717351045560        16.5854342962193     
+   15.9406971595985       -10.3558456747886       -92.6510460778680     
+  -9.20710296263411        32.0011782942552        3.65702798479420     
+   13.3602996040753        1.99403702873797       -37.9921449573843     
+ dyn_ssbond_ene   -6.26042659661812     
+  -33.7570256781010        21.0184381619942        18.0922738929379     
+   17.3984050949436       -11.2834641316758       -101.092112975717     
+  -10.0694718866087        34.9067814239339        3.99032976653546     
+   14.6053885786044        2.22252548076365       -41.4642757528292     
+ dyn_ssbond_ene   -6.26042659661812     
+  -36.6023850757350        22.7651412194324        19.5991134896565     
+   18.8561130302887       -12.2110825885630       -109.533179873566     
+  -10.9318408105833        37.8123845536127        4.32363154827672     
+   15.8504775531335        2.45101393278934       -44.9364065482740     
+ dyn_ssbond_ene   -6.26042659661812     
+  0 0.00000E+00 0.00000E+00 3.55271E-10 0.00000E+00 0.00000E+00 0.00000E+00
+    0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00
+    NaN         NaN         Infinity    NaN         NaN         NaN        
+
+  -39.4477444721488        24.5118442761907        21.1059530885862     
+   20.3138209649092       -13.1387010480256       -117.974246760709     
+  -11.7942097338552        40.7179876827513        4.65693333171084     
+   17.0955665295807        2.67950238387362       -48.4085373410251     
+ dyn_ssbond_ene   -6.26042659661812     
+  -42.2931038710031        26.2585473343088        22.6127926830938     
+   21.7715289009789       -14.0663195023374       -126.415313669265     
+  -12.6565786585325        43.6235908129701        4.99023511175925     
+   18.3406555021916        2.90799083684071       -51.8806681391638     
+ dyn_ssbond_ene   -6.26042659661811     
+  -45.1384632697601        28.0052503897366        24.1196322856766     
+   23.2292368344798       -14.9939379607374       -134.856380552657     
+  -13.5189475830471        46.5291939425833        5.32353689602959     
+   19.5857444757793        3.13647928715820       -55.3527989254193     
+ dyn_ssbond_ene   -6.26042659661811     
+  -47.9838226662712        29.7519534491853        25.6264718765311     
+   24.6869447716691       -15.9215564161118       -143.297447464963     
+  -14.3813165064816        49.4347970723276        5.65683867524178     
+   20.8308334512498        3.36496774089208       -58.8249297300535     
+ dyn_ssbond_ene   -6.26042659661812     
+  -50.8291820614933        31.4986565108441        27.1333114641203     
+   26.1446527164328       -16.8491748578380       -151.738514392895     
+  -15.2436854287634        52.3404002045354        5.99014045064859     
+   22.0759224284726        3.59345620210704       -62.2970605412834     
+ dyn_ssbond_ene   -6.26042659661812     
+  -53.6745414615393        33.2453595640617        28.6401510699684     
+   27.6023606423591       -17.7767933298864       -160.179581260661     
+  -16.1060543544308        55.2460033316850        6.32344223872423     
+   23.3210114003079        3.82194464494335       -65.7691913209430     
+ dyn_ssbond_ene   -6.26042659661812     
+  -56.5199008603936        34.9920626221798        30.1469906644760     
+   29.0600685784288       -18.7044117841982       -168.620648169217     
+  -16.9684232791080        58.1516064619038        6.65674401877263     
+   24.5661003729187        4.05043309791044       -69.2413221190816     
+ dyn_ssbond_ene   -6.26042659661812     
+  -59.3652602568074        36.7387656789381        31.6538302634056     
+   30.5177765130493       -19.6320302436608       -177.061715056360     
+  -17.8307922023799        61.0572095910425        6.99004580220675     
+   25.8111893493660        4.27892154899473       -72.7134529118327     
+ dyn_ssbond_ene   -6.26042659661812     
+  -62.2106196533185        38.4854687383868        33.1606698542601     
+   31.9754844502386       -20.5596486990352       -185.502781968666     
+  -18.6931611258145        63.9628127207868        7.32334758141894     
+   27.0562783248365        4.50741000272861       -76.1855837164669     
+ dyn_ssbond_ene   -6.26042659661812     
+  -65.0559790520755        40.2321717938145        34.6675094568429     
+   33.4331923837395       -21.4872671574352       -193.943848852058     
+  -19.5555300503291        66.8684158504000        7.65664936568927     
+   28.3013672984242        4.73589845304611       -79.6577145027224     
+ dyn_ssbond_ene   -6.26042659661812     
+  -67.9013384521215        41.9788748470321        36.1743490626910     
+   34.8909003096658       -22.4148856294836       -202.384915719824     
+  -20.4178989759965        69.7740189775496        7.98995115376496     
+   29.5464562702594        4.96438689588244       -83.1298452823820     
+ dyn_ssbond_ene   -6.26042659661812     
+  -70.7466978473436        43.7255779086909        37.6811886502802     
+   36.3486082544296       -23.3425040712097       -210.825982647756     
+  -21.2802678982783        72.6796221097574        8.32325292917183     
+   30.7915452474823        5.19287535709741       -86.6019760936120     
+ dyn_ssbond_ene   -6.26042659661812     
+  1-2.39151E-02-1.16421E-02 2.61802E-01 2.39151E-02 1.16421E-02-2.61802E-01
+   -2.39151E-02-1.16421E-02 2.61802E-01 2.39151E-02 1.16421E-02-2.61802E-01
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+  -73.5920572349264        45.4722809554823        39.1880282712331     
+   37.8063161564509       -24.2701225972447       -219.267049417168     
+  -22.1426368149071        75.5852252276105        8.65655473599843     
+   32.0366342375331        5.42136378619631       -90.0741068549136     
+ dyn_ssbond_ene   -6.26042659661812     
+  -76.4374166426116        47.2189840235674        40.6948678437174     
+   39.2640241251198       -25.1977409849840       -227.708116443455     
+  -23.0050057462274        78.4908283691148        8.98985649265432     
+   33.2817231965405        5.64985226114887       -93.5462376845018     
+ dyn_ssbond_ene   -6.26042659661811     
+  -79.2827760605445        48.9656870521940        42.2017075104300     
+   40.7217319762085       -26.1253595726483       -236.149183097317     
+  -23.8673746820276        81.3964314869248        9.32315831702548     
+   34.5268121481427        5.87834063987255       -97.0183683562320     
+ dyn_ssbond_ene   -6.26042659661811     
+  -82.1281354378798        50.7123901384437        43.7085470371550     
+   42.1794399958097       -27.0529778987588       -244.590250239152     
+  -24.7297435941766        84.3020346284723        9.65646005613696     
+   35.7719011455986        6.10682916519999       -100.490499275391     
+ dyn_ssbond_ene   -6.26042659661812     
+  -84.9734948071355        52.4590932395359        45.2153865612261     
+   43.6371480667697       -27.9805961177384       -253.031317393753     
+  -25.5921124930659        87.2076378007807        9.98976176550160     
+   37.0169901542708        6.33531774093949       -103.962630192738     
+ dyn_ssbond_ene   -6.26042659661812     
+  -87.8188542331481        54.2057962533198        46.7222262305926     
+   45.0948558664988       -28.9082148125351       -261.472384034849     
+  -26.4544814421259        90.1132408878294        10.3230636196198     
+   38.2620790946564        6.56380606925042       -107.434760866280     
+ dyn_ssbond_ene   -6.26042659661812     
+  -90.6642135812146        55.9524993131809        48.2290658552714     
+   46.5525638487758       -29.8358331748423       -269.913450933552     
+  -27.3168503705505        93.0188440240568        10.6563653947588     
+   39.5071680642550        6.79229453900761       -110.906891655735     
+ dyn_ssbond_ene   -6.26042659661812     
+  -93.5095730284153        57.6992023681965        49.7359054240297     
+   48.0102717371888       -30.7634517263097       -278.354517830545     
+  -28.1792192900747        95.9244471471871        10.9896671831020     
+   40.7522570437148        7.02078297330149       -114.379022457169     
+ dyn_ssbond_ene   -6.26042659661812     
+  -96.3549324051154        59.4459054391850        51.2427449890261     
+   49.4679797450952       -31.6910700694619       -286.795584870197     
+  -29.0415882064603        98.8300502837040        11.3229689389925     
+   41.9973460351524        7.24927147577918       -117.851153322651     
+ dyn_ssbond_ene   -6.26042659661812     
+  -99.2002918236835        61.1926084830732        52.7495846174664     
+   50.9256876078785       -32.6186886400849       -295.236651626244     
+  -29.9039571380238        101.735653406545        11.6562707465844     
+   43.2424349927730        7.47775987735286       -121.323284048059     
+ dyn_ssbond_ene   -6.26042659661812     
+  -102.045651199121        62.9393115381338        54.2564242162367     
+   52.3833954630140       -33.5463072422187       -303.677718480852     
+  -30.7663260710794        104.641256508240        11.9895725625428     
+   44.4875239607434        7.70624828117268       -124.795414850597     
+ dyn_ssbond_ene   -6.26042659661812     
+  -104.891010618952        64.6860145979491        55.7632638109044     
+   53.8411034785664       -34.4739255538634       -312.118785421939     
+  -31.6286949859734        107.546859665901        12.3228743100678     
+   45.7326129418305        7.93473678140208       -128.267545638947     
+ dyn_ssbond_ene   -6.26042659661812     
+  2-2.65095E-01-2.29704E-01 5.50483E-01 1.15694E-02 9.48724E-02-9.16598E-02
+   -2.65095E-01-2.29704E-01 5.50483E-01 1.15694E-02 9.48724E-02-9.16598E-02
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+  -107.736368609174        66.4327175400276        57.2701042910268     
+   55.2988206873029       -35.4015295059780       -320.559895248931     
+  -32.4910631597222        110.452462625508        12.6561767502526     
+   46.9777004808301        8.16323202161579       -131.739690573191     
+ dyn_ssbond_ene   -6.26042659661812     
+  -110.581729414215        68.1794207128341        58.7769430043254     
+   56.7565193490875       -36.3291624678649       -329.000919217372     
+  -33.3534328339190        113.358065925263        12.9894778735421     
+   48.2227908908235        8.39171368534939       -135.211807229690     
+ dyn_ssbond_ene   -6.26042659661811     
+  -113.427089144899        69.9261220686023        60.2837868425874     
+   58.2142854981326       -37.2566984899991       -337.442188312340     
+  -34.2158019279673        116.263668713737        13.3227814421790     
+   49.4678866536537        8.62024290610092       -138.684017451048     
+ dyn_ssbond_ene   -6.26042659661811     
+  -116.272448209482        71.6728268277049        61.7906221977803     
+   59.6719352209288       -38.1843993802542       -345.883053018111     
+  -35.0781706818680        119.169272184622        13.6560814370286     
+   50.7129688400039        8.84869059012557       -142.156068822581     
+ dyn_ssbond_ene   -6.26042659661812     
+  -119.117806551477        73.4195330527310        63.2974555948005     
+   61.1295310378371       -39.1121828327635       -354.323771219281     
+  -35.9405389473983        122.074877101186        13.9893793949190     
+   51.9580436760754        9.07709961922040       -145.628064056069     
+ dyn_ssbond_ene   -6.26042659661812     
+  -121.963167004761        75.1662329425573        64.8043013912577     
+   62.5873510974634       -40.0396362854136       -362.765186830021     
+  -36.8029085298239        124.980478443963        14.3226850005386     
+   53.2031467898915        9.30566749814042       -149.100330419686     
+ dyn_ssbond_ene   -6.26042659661812     
+  -124.808529441209        76.9129363289457        66.3111386012551     
+   64.0450337739844       -40.9672934613588       -371.206138360998     
+  -37.6652786788692        127.886081752947        14.6559855767751     
+   54.4482383955806        9.53413729073722       -152.572420953905     
+ dyn_ssbond_ene   -6.26042659661812     
+  -127.653885799973        78.6596390575009        67.8179805845703     
+   65.5027669667331       -41.8948732011303       -379.647320622449     
+  -38.5276463777470        130.791684703336        14.9892885639770     
+   55.6933247385029        9.76264440122582       -156.044592009000     
+ dyn_ssbond_ene   -6.26042659661812     
+  -130.499245235021        80.4063435604633        69.3248163627408     
+   66.9604250533782       -42.8225618566265       -388.088209785781     
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+  -197.203528385909        665.422660560166        76.3168164015593     
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+    0.00000E+00 0.00000E+00 0.00000E+00 3.07949E-02-1.83191E-01 6.10671E-01
+    NaN         NaN         NaN         1.00000E+00 1.00000E+00 1.00000E+00
+
+CG processor   0 is finishing work.
+ Total wall clock time  4.687500000000000E-002  sec
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small_GB000.int b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small_GB000.int
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small_GB000.mol2 b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small_GB000.mol2
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small_GB000.pdb b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small_GB000.pdb
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small_GB000.stat b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/small_GB000.stat
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/ss.pdb b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/ss.pdb
new file mode 100644
index 0000000..072c597
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/ss.pdb
@@ -0,0 +1,56 @@
+REMARK time 4389.65                                       ENERGY     7.39026E+00
+SSBOND   1 CYS      4    CYS     13
+ATOM      1  CA  GLY     1      18.887 -10.163 -10.608          0.012
+ATOM      2  CA  ALA     2      18.562  -9.885  -6.834          0.020
+ATOM      3  CB  ALA     2      18.353  -9.134  -6.608          0.009
+ATOM      4  CA  ALA     3      16.754 -11.361  -3.915          0.008
+ATOM      5  CB  ALA     3      16.860 -12.098  -3.836          0.112
+ATOM      6  CA  ALA     4      16.762  -9.897  -0.433          0.060
+ATOM      7  CB  ALA     4      16.145  -9.572  -0.328          0.050
+ATOM      8  CA  CYS     5      15.755 -12.524   2.082          0.002
+ATOM      9  CB  CYS     5      16.051 -13.633   1.487          0.072
+ATOM     10  CA  ALA     6      15.104 -12.916   5.816          0.009
+ATOM     11  CB  ALA     6      14.965 -12.382   6.257          0.010
+ATOM     12  CA  ALA     7      12.233 -15.298   5.159          0.023
+ATOM     13  CB  ALA     7      11.752 -15.096   4.590          0.108
+ATOM     14  CA  ALA     8      12.615 -18.906   4.131          0.042
+ATOM     15  CB  ALA     8      12.996 -18.890   4.861          0.008
+ATOM     16  CA  ALA     9       9.909 -21.356   3.181          0.011
+ATOM     17  CB  ALA     9       9.333 -20.985   3.212          0.086
+ATOM     18  CA  ALA    10      10.743 -20.954  -0.478          0.081
+ATOM     19  CB  ALA    10      10.850 -20.324  -0.915          0.001
+ATOM     20  CA  ALA    11      12.566 -23.869  -1.971          0.022
+ATOM     21  CB  ALA    11      12.731 -24.062  -2.616          0.275
+ATOM     22  CA  ALA    12      15.810 -21.927  -1.726          0.004
+ATOM     23  CB  ALA    12      15.774 -21.687  -2.426          0.135
+ATOM     24  CA  ALA    13      18.582 -20.075   0.198          0.010
+ATOM     25  CB  ALA    13      19.150 -20.569   0.255          0.020
+ATOM     26  CA  CYS    14      19.577 -16.394  -0.296          0.009
+ATOM     27  CB  CYS    14      18.494 -15.682  -0.508          0.016
+ATOM     28  CA  ALA    15      22.406 -14.224   1.116          0.034
+ATOM     29  CB  ALA    15      23.137 -14.120   1.199          0.111
+ATOM     30  CA  ALA    16      22.651 -10.366   0.632          0.010
+ATOM     31  CB  ALA    16      22.481  -9.688   0.945          0.009
+ATOM     32  CA  ALA    17      25.991  -8.590   0.178          0.018
+ATOM     33  CB  ALA    17      26.589  -8.669   0.306          0.039
+ATOM     34  CA  GLY    18      26.757  -7.435  -3.316          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    9   27
+ENDMDL
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/unres_eval.csh b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/unres_eval.csh
new file mode 100755
index 0000000..787be7f
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/checkgrad/unres_eval.csh
@@ -0,0 +1,24 @@
+#!/bin/csh
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX small
+setenv OUT1FILE NO
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN /users/czarek/UNRES/GIT/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+#-----------------------------------------------------------------------------
+setenv DD /users/czarek/UNRES/GIT/unres/PARAM
+setenv BONDPAR $DD/bond.parm
+setenv THETPAR $DD/thetaml.5parm
+setenv ROTPAR $DD/scgauss.parm
+setenv TORPAR $DD/torsion_631Gdp.parm
+setenv TORDPAR $DD/torsion_double_631Gdp.parm
+setenv ELEPAR $DD/electr_631Gdp.parm
+setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
+setenv SCPPAR $DD/scp.parm
+setenv PATTERN $DD/patterns.cart
+setenv PRINT_PARM NO
+#-----------------------------------------------------------------------------
+
+$UNRES_BIN $*
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/libcxa.so.5 b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/libcxa.so.5
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diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/libunwind.so.5 b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/libunwind.so.5
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literal 0
HcmV?d00001

diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small.inp b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small.inp
new file mode 100644
index 0000000..4d6a6fe
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small.inp
@@ -0,0 +1,13 @@
+small
+SEED=-1111333 CHECKGRAD CART ONE_LETTER pdbstart UNRES_PDB 
+WLONG=1.00000 WSCP=0.00000 WELEC=0.00000 WBOND=0.00000 WANG=0.00000            &
+WSCLOC=0.00000 WTOR=0.00000 WTORD=0.00000 WCORRH=0.00000 WCORR5=0.00000        &
+WCORR6=0.00000 WEL_LOC=0.00000 WTURN3=0.00000 WTURN4=0.00000 WTURN6=0.00000    &
+WVDWPP=0.00000 WHPB=1.00000                                                    &
+CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0 dyn_ss ebr=-5.5
+ss.pdb
+2 5 14
+0 5 14
+ 0
+0 0 0 0
+300
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small.intin b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small.intin
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small.out_GB000 b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small.out_GB000
new file mode 100644
index 0000000..8b8e9b9
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small.out_GB000
@@ -0,0 +1,718 @@
+--------------------------------------------------------------------------------
+                              FILE ASSIGNMENT
+--------------------------------------------------------------------------------
+ Input file                      : small.inp
+ Output file                     : small.out_GB000
+ 
+ Sidechain potential file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-
+ 10-8k
+ SCp potential file              : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm
+ Electrostatic potential file    : 
+ /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm
+ Cumulant coefficient file       : 
+ /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ Torsional parameter file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm
+ Double torsional parameter file : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm
+ Bond & inertia constant file    : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm
+ Bending parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm
+ Rotamer parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm
+ Threading database              : 
+ /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart
+--------------------------------------------------------------------------------
+ time after openunits  8.216000000174972E-003
+ ### LAST MODIFIED  6/23/05 7:29PM by czarek
+ ++++ Compile info ++++
+ Version 2.2 build 2853
+ compiled Wed Mar 28 23:45:50 2007
+ compiled by mchinchio@matrix
+ OS name:    Linux 
+ OS release: 2.4.20-28.7smp 
+ OS version: #1 SMP Thu Dec 18 11:18:31 EST 2003 
+ flags:
+ FC = mpif90
+ UNRES_BIN = ${HOME}/UNRES/NEW/bin/unres_REMD_in...
+ OPT = -O3 -w -pc64 -tpp6 -ip
+ FFLAGS = -c ${OPT}
+ FFLAGSE = -c -O3 -w -pc64 -tpp6 -ipo -ipo_obj -...
+ CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DPGI -DS...
+ LIBS = -Lxdrf -lxdrf
+ objectCSA = unres_CSA.o arcos.o cartprint.o cha...
+ ++++ End of compile info ++++
+ ntortyp           3
+
+Potential is GB , exponents are   6 12
+
+Disulfide bridge parameters:
+S-S bridge energy:      -5.50
+d0cm:      3.78 akcm:     15.10
+akth:     11.00 akct:     12.00
+v1ss:     -1.08 v2ss:      7.61 v3ss:     13.70
+Random seed:           -1111333.            -1111333
+ MPI: node=            0  iseed(4)=            0           0         -16
+      -62756
+ ran_num  0.920179675082336     
+RMSDBC =        3.0
+RMSDBC1 =        0.5
+RMSDBC1MAX =        1.5
+DRMS    =        0.1
+RMSDBCM =        3.0
+Time limit (min):      60.0
+ RESCALE_MODE           1
+Library  routine used to diagonalize matrices.
+
+Energy-term weights (unscaled):
+
+WSCC=     1.000000 (SC-SC)
+WSCP=     0.000000 (SC-p)
+WELEC=    0.000000 (p-p electr)
+WVDWPP=   0.000000 (p-p VDW)
+WBOND=    0.000000 (stretching)
+WANG=     0.000000 (bending)
+WSCLOC=   0.000000 (SC local)
+WTOR=     0.000000 (torsional)
+WTORD=    0.000000 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  0.000000 (multi-body 3-rd order)
+WCORR4=   0.000000 (multi-body 4th order)
+WCORR5=   0.000000 (multi-body 5th order)
+WCORR6=   0.000000 (multi-body 6th order)
+WTURN3=   0.000000 (turns, 3rd order)
+WTURN4=   0.000000 (turns, 4th order)
+WTURN6=   0.000000 (turns, 6th order)
+Scaling factor of 1,4 SC-p interactions:   0.400
+General scaling factor of SC-p interactions:   1.000
+
+Energy-term weights (scaled):
+
+WSCC=     1.000000 (SC-SC)
+WSCP=     0.000000 (SC-p)
+WELEC=    0.000000 (p-p electr)
+WVDWPP=   0.000000 (p-p VDW)
+WBOND=    0.000000 (stretching)
+WANG=     0.000000 (bending)
+WSCLOC=   0.000000 (SC local)
+WTOR=     0.000000 (torsional)
+WTORD=    0.000000 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  0.000000 (multi-body 3-rd order)
+WCORR4=   0.000000 (multi-body 4th order)
+WCORR5=   0.000000 (multi-body 5th order)
+WCORR6=   0.000000 (multi-body 6th order)
+WTURN3=   0.000000 (turns, 3rd order)
+WTURN4=   0.000000 (turns, 4th order)
+WTURN6=   0.000000 (turns, 6th order)
+ Reference temperature for weights calculation:   300.000000000000     
+ Parameters of the SS-bond potential:
+ D0CM   3.78000000000000       AKCM   15.1000000000000       AKTH
+   11.0000000000000       AKCT   12.0000000000000     
+ V1SS  -1.08000000000000       V2SS   7.61000000000000       V3SS
+   13.7000000000000     
+ EBR  -5.50000000000000       SS_DEPTH  -6.90133843152500     
+  HT  -1.40133843152500     
+PDB data will be read from file ss.pdb                                                          
+  1 10  GLY  18.887 -10.163 -10.608
+  2  9  ALA  18.562  -9.885  -6.834
+  3  9  ALA  16.754 -11.361  -3.915
+  4  9  ALA  16.762  -9.897  -0.433
+  5  1  CYS  15.755 -12.524   2.082
+  6  9  ALA  15.104 -12.916   5.816
+  7  9  ALA  12.233 -15.298   5.159
+  8  9  ALA  12.615 -18.906   4.131
+  9  9  ALA   9.909 -21.356   3.181
+ 10  9  ALA  10.743 -20.954  -0.478
+ 11  9  ALA  12.566 -23.869  -1.971
+ 12  9  ALA  15.810 -21.927  -1.726
+ 13  9  ALA  18.582 -20.075   0.198
+ 14  1  CYS  19.577 -16.394  -0.296
+ 15  9  ALA  22.406 -14.224   1.116
+ 16  9  ALA  22.651 -10.366   0.632
+ 17  9  ALA  25.991  -8.590   0.178
+ 18 10  GLY  26.757  -7.435  -3.316
+ Nres:    18
+  1 10  GLY  18.887 -10.163 -10.608       18.887 -10.163 -10.608
+  2  9  ALA  18.562  -9.885  -6.834       18.353  -9.134  -6.608
+  3  9  ALA  16.754 -11.361  -3.915       16.860 -12.098  -3.836
+  4  9  ALA  16.762  -9.897  -0.433       16.145  -9.572  -0.328
+  5  1  CYS  15.755 -12.524   2.082       16.051 -13.633   1.487
+  6  9  ALA  15.104 -12.916   5.816       14.965 -12.382   6.257
+  7  9  ALA  12.233 -15.298   5.159       11.752 -15.096   4.590
+  8  9  ALA  12.615 -18.906   4.131       12.996 -18.890   4.861
+  9  9  ALA   9.909 -21.356   3.181        9.333 -20.985   3.212
+ 10  9  ALA  10.743 -20.954  -0.478       10.850 -20.324  -0.915
+ 11  9  ALA  12.566 -23.869  -1.971       12.731 -24.062  -2.616
+ 12  9  ALA  15.810 -21.927  -1.726       15.774 -21.687  -2.426
+ 13  9  ALA  18.582 -20.075   0.198       19.150 -20.569   0.255
+ 14  1  CYS  19.577 -16.394  -0.296       18.494 -15.682  -0.508
+ 15  9  ALA  22.406 -14.224   1.116       23.137 -14.120   1.199
+ 16  9  ALA  22.651 -10.366   0.632       22.481  -9.688   0.945
+ 17  9  ALA  25.991  -8.590   0.178       26.589  -8.669   0.306
+ 18 10  GLY  26.757  -7.435  -3.316       26.757  -7.435  -3.316
+
+Internal coordinates calculated from crystal structure.
+  Res         dvb     Theta       Phi    Dsc_id       Dsc     Alpha     Omega
+ALA   2     3.798     0.000     0.000     0.743     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.743     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.743     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.237     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.743     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.743     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.743     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.743     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.743     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.743     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.743     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.743     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.237     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.743     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.743     0.617   138.711   -49.120
+nsup= 18 nstart_sup=  1
+Contact map:
+  1  CYS  14  ALA   3
+  2  CYS  14  CYS   5
+ ITEL
+           1          10           1
+           2           9           1
+           3           9           1
+           4           9           1
+           5           1           1
+           6           9           1
+           7           9           1
+           8           9           1
+           9           9           1
+          10           9           1
+          11           9           1
+          12           9           1
+          13           9           1
+          14           1           1
+          15           9           1
+          16           9           1
+          17           9           1
+ ns=           2  iss:           5          14
+ nss=           0  ihpb,jhpb: 
+Boundaries in phi angle sampling:
+GLY    1    -180.0     180.0
+ALA    2    -180.0     180.0
+ALA    3    -180.0     180.0
+ALA    4    -180.0     180.0
+CYS    5    -180.0     180.0
+ALA    6    -180.0     180.0
+ALA    7    -180.0     180.0
+ALA    8    -180.0     180.0
+ALA    9    -180.0     180.0
+ALA   10    -180.0     180.0
+ALA   11    -180.0     180.0
+ALA   12    -180.0     180.0
+ALA   13    -180.0     180.0
+CYS   14    -180.0     180.0
+ALA   15    -180.0     180.0
+ALA   16    -180.0     180.0
+ALA   17    -180.0     180.0
+GLY   18    -180.0     180.0
+ NZ_START=           1  NZ_END=          18
+ IZ_SC=           0
+
+Geometry of the virtual chain.
+  Res           d     Theta       Phi       Dsc     Alpha      Omega
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.798     0.000     0.000     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
+GLY  18     3.759   115.636   105.386     0.000     0.000     0.000
+
+The chain contains  2 disulfide-bridging cysteines.
+   5  14
+ Running with dynamic disulfide-bond formation
+Checking energy gradient calculation.
+
+********************************************************************************
+
+
+
+              alpha-carbon coordinates            centroid coordinates
+             X           Y           Z          X           Y           Z
+GLY(  1)     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+ALA(  2)    -0.32500     0.27800     3.77400    -0.53400     1.02900     4.00000
+ALA(  3)    -2.13300    -1.19800     6.69300    -2.02700    -1.93500     6.77200
+ALA(  4)    -2.12500     0.26600    10.17500    -2.74200     0.59100    10.28000
+CYS(  5)    -3.13200    -2.36100    12.69000    -2.83600    -3.47000    12.09500
+ALA(  6)    -3.78300    -2.75300    16.42400    -3.92200    -2.21900    16.86500
+ALA(  7)    -6.65400    -5.13500    15.76700    -7.13500    -4.93300    15.19800
+ALA(  8)    -6.27200    -8.74300    14.73900    -5.89100    -8.72700    15.46900
+ALA(  9)    -8.97800   -11.19300    13.78900    -9.55400   -10.82200    13.82000
+ALA( 10)    -8.14400   -10.79100    10.13000    -8.03700   -10.16100     9.69300
+ALA( 11)    -6.32100   -13.70600     8.63700    -6.15600   -13.89900     7.99200
+ALA( 12)    -3.07700   -11.76400     8.88200    -3.11300   -11.52400     8.18200
+ALA( 13)    -0.30500    -9.91200    10.80600     0.26300   -10.40600    10.86300
+CYS( 14)     0.69000    -6.23100    10.31200    -0.39300    -5.51900    10.10000
+ALA( 15)     3.51900    -4.06100    11.72400     4.25000    -3.95700    11.80700
+ALA( 16)     3.76400    -0.20300    11.24000     3.59400     0.47500    11.55300
+ALA( 17)     7.10400     1.57300    10.78600     7.70200     1.49400    10.91400
+GLY( 18)     7.87000     2.72800     7.29200     7.87000     2.72800     7.29200
+
+Geometry of the virtual chain.
+  Res           d     Theta       Phi       Dsc     Alpha      Omega
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.798     0.000     0.000     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
+GLY  18     3.759   115.636   105.386     0.000 NaN         180.000
+  SSBOND_E_FORM        0.00   300.0    5   14
+    SSBOND_FORM        0.00   300.0    5   14
+
+Virtual-chain energies:
+
+EVDW=     -3.549037E+01 WEIGHT=    1.000000D+00 (SC-SC)
+EVDW2=     0.000000E+00 WEIGHT=    0.000000D+00 (SC-p)
+EES=       0.000000E+00 WEIGHT=    0.000000D+00 (p-p)
+EVDWPP=    0.000000E+00 WEIGHT=    0.000000D+00 (p-p VDW)
+ESTR=      1.857136E+01 WEIGHT=    0.000000D+00 (stretching)
+EBE=       0.000000E+00 WEIGHT=    0.000000D+00 (bending)
+ESC=       5.355337E+01 WEIGHT=    0.000000D+00 (SC local)
+ETORS=     0.000000E+00 WEIGHT=    0.000000D+00 (torsional)
+ETORSD=    0.000000E+00 WEIGHT=    0.000000D+00 (double torsional)
+EHBP=      0.000000E+00 WEIGHT=    1.000000D+00 (SS bridges & dist. cnstr.)
+ECORR4=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
+ECORR5=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
+ECORR6=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
+EELLO=     0.000000E+00 WEIGHT=    0.000000D+00 (electrostatic-local)
+ETURN3=    0.000000E+00 WEIGHT=    0.000000D+00 (turns, 3rd order)
+ETURN4=    0.000000E+00 WEIGHT=    0.000000D+00 (turns, 4th order)
+ETURN6=    0.000000E+00 WEIGHT=    0.000000D+00 (turns, 6th order)
+EDIHC=     0.000000E+00 (dihedral angle constraints)
+ESS=      -5.500000E+00 (disulfide-bridge intrinsic energy)
+UCONST=     0.000000E+00 (Constraint energy)
+ETOT=     -3.549037E+01 (total)
+
+Geometry of the virtual chain.
+  Res           d     Theta       Phi       Dsc     Alpha      Omega
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.798     0.000     0.000     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
+GLY  18     3.759   115.636   105.386     0.000 NaN         180.000
+ Analytical (upper) and numerical (lower) gradient of theta
+ 
+    3  -0.17822  -0.19379  -0.00107        0.12874   0.16734   0.16436
+       -0.17822  -0.19379  -0.00107        0.12874   0.16734   0.16436
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    4   0.08953   0.19831   0.15573       -0.15572  -0.19724   0.08329
+        0.08953   0.19831   0.15573       -0.15572  -0.19724   0.08329
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    5  -0.07544  -0.23387   0.09850        0.02650   0.17696   0.19546
+       -0.07544  -0.23387   0.09850        0.02650   0.17697   0.19546
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    6   0.01442   0.18008   0.19387       -0.05566  -0.25387  -0.03636
+        0.01442   0.18008   0.19387       -0.05566  -0.25387  -0.03636
+        0.99997   1.00000   1.00000        1.00001   1.00000   1.00000
+ 
+    7  -0.19788  -0.16442  -0.05176       -0.04027  -0.02314   0.25988
+       -0.19788  -0.16442  -0.05176       -0.04027  -0.02314   0.25988
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    8   0.17220  -0.19216  -0.05581       -0.26381  -0.02632  -0.00565
+        0.17220  -0.19216  -0.05581       -0.26381  -0.02632  -0.00565
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00004
+ 
+    9  -0.26294  -0.01981  -0.02816        0.18343  -0.18730  -0.03947
+       -0.26294  -0.01981  -0.02816        0.18344  -0.18730  -0.03947
+        1.00000   1.00000   1.00001        1.00000   1.00000   1.00001
+ 
+   10   0.06172   0.03108  -0.25595       -0.19107  -0.17258  -0.06251
+        0.06172   0.03108  -0.25595       -0.19107  -0.17258  -0.06251
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   11   0.11496  -0.23871  -0.00002        0.00620   0.12465  -0.23580
+        0.11496  -0.23871  -0.00002        0.00620   0.12465  -0.23580
+        1.00000   1.00000   1.00040        0.99998   1.00000   1.00000
+ 
+   12   0.22947   0.13510   0.01641        0.13017  -0.20419  -0.10500
+        0.22947   0.13510   0.01641        0.13017  -0.20419  -0.10500
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   13  -0.02765   0.01312   0.26216        0.12335   0.04768  -0.22362
+       -0.02765   0.01312   0.26216        0.12335   0.04768  -0.22362
+        1.00000   0.99996   1.00000        1.00000   0.99999   1.00000
+ 
+   14  -0.05144   0.21642  -0.13420        0.18222  -0.02457   0.18394
+       -0.05144   0.21642  -0.13420        0.18222  -0.02457   0.18394
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   15   0.20013  -0.03223   0.16295       -0.08838   0.20395  -0.13637
+        0.20013  -0.03223   0.16295       -0.08838   0.20395  -0.13637
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   16  -0.11056   0.21194  -0.10420        0.21780   0.00320   0.13578
+       -0.11056   0.21194  -0.10420        0.21780   0.00320   0.13578
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   17   0.25552  -0.01825  -0.01610       -0.12490   0.23007  -0.01887
+        0.25552  -0.01825  -0.01610       -0.12490   0.23007  -0.01887
+        1.00000   1.00000   1.00001        1.00000   1.00000   1.00001
+ 
+   18  -0.05109   0.03074  -0.25561        0.23267   0.09832   0.08351
+       -0.05109   0.03074  -0.25561        0.23267   0.09832   0.08351
+        1.00000   0.99999   1.00000        1.00000   1.00000   1.00000
+ 
+ Analytical (upper) and numerical (lower) gradient of gamma
+    4   0.31299  -0.28811   0.04818       -0.10230   0.13119   0.00297       -0.25968   0.17432  -0.07270
+        0.31299  -0.28811   0.04818       -0.10230   0.13119   0.00297       -0.25968   0.17432  -0.07270
+        1.00000   1.00000   1.00000        1.00000   1.00000   0.99999        1.00000   1.00000   1.00000
+ 
+    5  -0.26245   0.17618  -0.07347        0.05398  -0.07309   0.03061        0.27052  -0.07436   0.03064
+       -0.26245   0.17618  -0.07347        0.05398  -0.07309   0.03061        0.27052  -0.07436   0.03064
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    6   0.27026  -0.07429   0.03061        0.21493  -0.04852   0.03538       -0.39597   0.09527  -0.05903
+        0.27026  -0.07429   0.03061        0.21493  -0.04852   0.03538       -0.39597   0.09527  -0.05903
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    7  -0.39984   0.09620  -0.05961        0.30097  -0.06847   0.04528        0.16749  -0.20402   0.00778
+       -0.39984   0.09620  -0.05961        0.30097  -0.06847   0.04528        0.16749  -0.20402   0.00778
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    8   0.16649  -0.20281   0.00774       -0.00529   0.05529  -0.17735        0.00216  -0.08839   0.31102
+        0.16649  -0.20281   0.00774       -0.00529   0.05529  -0.17735        0.00216  -0.08839   0.31102
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    9   0.00215  -0.08799   0.30963       -0.01815  -0.00793   0.02109        0.02738   0.09473  -0.32229
+        0.00215  -0.08799   0.30963       -0.01815  -0.00793   0.02109        0.02738   0.09473  -0.32229
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   10   0.02739   0.09475  -0.32237       -0.01977  -0.05521   0.19870        0.17399  -0.19907   0.01779
+        0.02739   0.09475  -0.32237       -0.01977  -0.05521   0.19870        0.17399  -0.19907   0.01779
+        1.00000   1.00000   1.00000        1.00001   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   11   0.17410  -0.19919   0.01780        0.10140   0.05349   0.02899       -0.25559  -0.12308  -0.07178
+        0.17410  -0.19919   0.01780        0.10140   0.05349   0.02899       -0.25559  -0.12308  -0.07178
+        1.00000   1.00000   1.00000        1.00000   0.99999   1.00000        1.00000   1.00000   1.00000
+ 
+   12  -0.25382  -0.12223  -0.07128        0.10532   0.04977   0.03143        0.04062  -0.09832   0.24156
+       -0.25382  -0.12223  -0.07128        0.10532   0.04977   0.03143        0.04062  -0.09832   0.24156
+        1.00000   1.00000   1.00000        1.00000   1.00001   1.00000        1.00000   1.00000   1.00000
+ 
+   13   0.04105  -0.09938   0.24417       -0.26842   0.45460  -0.04922        0.29539  -0.50052   0.05621
+        0.04105  -0.09938   0.24417       -0.26842   0.45459  -0.04922        0.29539  -0.50052   0.05621
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   0.99999
+ 
+   14   0.30009  -0.50848   0.05710       -0.14065   0.39737  -0.17986       -0.21281   0.08738   0.22249
+        0.30009  -0.50848   0.05710       -0.14065   0.39737  -0.17986       -0.21281   0.08738   0.22250
+        1.00000   1.00000   1.00001        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   15  -0.21258   0.08729   0.22226       -0.01889   0.01296   0.05849        0.20908  -0.09346  -0.27527
+       -0.21258   0.08729   0.22226       -0.01889   0.01296   0.05849        0.20908  -0.09346  -0.27527
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   16   0.20853  -0.09321  -0.27455       -0.05044   0.03954   0.04030       -0.16290   0.04300   0.26030
+        0.20853  -0.09321  -0.27455       -0.05044   0.03954   0.04030       -0.16290   0.04300   0.26030
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   17  -0.16550   0.04369   0.26445        0.10282  -0.00484   0.01348       -0.02198  -0.03710  -0.30685
+       -0.16550   0.04369   0.26445        0.10282  -0.00484   0.01348       -0.02198  -0.03710  -0.30685
+        1.00000   1.00000   1.00000        1.00000   1.00000   0.99998        1.00000   1.00000   1.00000
+ 
+   18  -0.02150  -0.03628  -0.30008        0.06711  -0.09073   0.13874       -0.12984   0.25877   0.05708
+       -0.02150  -0.03628  -0.30008        0.06710  -0.09073   0.13874       -0.12984   0.25877   0.05708
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+ Analytical (upper) and numerical (lower) gradient of alpha
+    2  -0.30847   0.24341  -0.04449        0.27838  -0.28865   0.02647        1.18011   0.25429   0.24633
+       -0.30847   0.24341  -0.04449        0.27838  -0.28865   0.02647        1.18012   0.25429   0.24632
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   0.99999   0.99998
+ 
+    3   0.23552  -0.14528   0.07242       -0.22091   0.16327  -0.06814       -1.23616  -0.22625  -0.45209
+        0.23552  -0.14529   0.07242       -0.22091   0.16327  -0.06814       -1.23616  -0.22625  -0.45210
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00001   1.00002
+ 
+    4  -0.22456   0.03549  -0.01441        0.21427  -0.07788   0.00444        0.68445   1.21216   0.27001
+       -0.22456   0.03549  -0.01441        0.21427  -0.07788   0.00444        0.68445   1.21215   0.27000
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00001   0.99999   0.99999
+ 
+    5   0.36227  -0.11024   0.02990       -0.36756   0.05483  -0.05833       -0.75281  -0.16235  -0.07191
+        0.36227  -0.11024   0.02990       -0.36756   0.05483  -0.05833       -0.75281  -0.16235  -0.07192
+        1.00000   1.00000   1.00000        1.00000   0.99999   1.00000        1.00000   1.00002   1.00009
+ 
+    6  -0.13129   0.13286  -0.00894        0.12147  -0.14315  -0.01183        1.14083  -0.33694   0.76757
+       -0.13129   0.13286  -0.00894        0.12147  -0.14315  -0.01183        1.14083  -0.33694   0.76756
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00001        1.00000   1.00000   0.99999
+ 
+    7   0.01761   0.05427  -0.27372        0.03169  -0.07336   0.26925       -0.90003   0.32076   0.87471
+        0.01761   0.05427  -0.27372        0.03169  -0.07336   0.26925       -0.90004   0.32076   0.87472
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00001   0.99998   1.00001
+ 
+    8   0.04077  -0.07028   0.26180        0.06524   0.03048  -0.26442        0.99413  -0.47694  -0.50840
+        0.04077  -0.07028   0.26180        0.06524   0.03048  -0.26442        0.99412  -0.47694  -0.50840
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        0.99999   1.00001   0.99999
+ 
+    9  -0.12242   0.14260  -0.01906        0.12865  -0.13744   0.01422       -0.64458  -1.06427   0.76013
+       -0.12242   0.14260  -0.01906        0.12865  -0.13744   0.01422       -0.64459  -1.06426   0.76012
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00001   0.99999   1.00000
+ 
+   10   0.21265   0.02734   0.05147       -0.18617  -0.12070   0.00835       -1.27474   0.20847  -0.01158
+        0.21265   0.02734   0.05147       -0.18617  -0.12070   0.00835       -1.27474   0.20846  -0.01159
+        1.00000   0.99998   1.00000        1.00000   1.00000   0.99999        1.00000   0.99996   1.00121
+ 
+   11   0.04230   0.09611  -0.13599       -0.01401   0.00203   0.16939       -0.62767  -1.27975   0.22237
+        0.04230   0.09611  -0.13599       -0.01401   0.00203   0.16939       -0.62767  -1.27976   0.22237
+        1.00000   1.00000   1.00000        1.00000   1.00001   1.00000        1.00000   1.00000   1.00001
+ 
+   12  -0.26857   0.46101  -0.09819        0.29087  -0.44766   0.01184        1.09796  -0.72359  -0.30455
+       -0.26856   0.46101  -0.09819        0.29087  -0.44766   0.01184        1.09795  -0.72360  -0.30456
+        1.00000   1.00000   1.00000        1.00000   1.00000   0.99996        0.99999   1.00001   1.00002
+ 
+   13   0.19081  -0.09364  -0.18477       -0.17271   0.07485   0.20989       -0.15993  -0.03220   1.31455
+        0.19081  -0.09364  -0.18477       -0.17272   0.07485   0.20989       -0.15993  -0.03221   1.31455
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00002   1.00020   1.00000
+ 
+   14  -0.19507   0.08611   0.24877        0.19012  -0.08188  -0.25509        0.16897   0.03622  -0.74157
+       -0.19507   0.08611   0.24877        0.19012  -0.08188  -0.25509        0.16897   0.03621  -0.74157
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   0.99990   1.00000
+ 
+   15   0.03761   0.06526  -0.17564       -0.17139   0.02027   0.07483        0.05250  -1.04481   0.84676
+        0.03761   0.06526  -0.17564       -0.17140   0.02027   0.07483        0.05250  -1.04481   0.84675
+        0.99999   1.00000   1.00000        1.00000   1.00000   1.00000        0.99998   1.00000   0.99999
+ 
+   16   0.10823   0.01417   0.16775        0.03409  -0.10773  -0.17063       -1.21049  -0.08064  -0.48278
+        0.10823   0.01417   0.16775        0.03409  -0.10773  -0.17063       -1.21050  -0.08064  -0.48278
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00001   1.00001
+ 
+   17   0.06525  -0.15331  -0.11968       -0.15922   0.13342   0.00920       -0.23848   0.60314   1.48639
+        0.06525  -0.15331  -0.11968       -0.15922   0.13342   0.00920       -0.23847   0.60312   1.48638
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        0.99999   0.99998   1.00000
+ 
+ Analytical (upper) and numerical (lower) gradient of omega
+    2  -0.08700   0.21060  -0.02300       -0.00542   0.10924   0.05188       -0.19629  -0.48978   1.44601
+       -0.08700   0.21060  -0.02300       -0.00542   0.10924   0.05188       -0.19629  -0.48977   1.44601
+        1.00000   1.00000   1.00000        0.99996   1.00000   1.00000        1.00001   0.99999   1.00000
+ 
+    3   0.09884  -0.20647  -0.04318        0.01169  -0.17149   0.07208       -0.69351   0.09825   1.84710
+        0.09884  -0.20647  -0.04318        0.01169  -0.17149   0.07207       -0.69350   0.09825   1.84709
+        1.00000   1.00000   1.00000        1.00001   1.00000   1.00000        0.99998   1.00001   0.99999
+ 
+    4  -0.15717   0.07727  -0.03213       -0.13889   0.06283   0.01002        0.05810  -0.35055   1.42646
+       -0.15717   0.07727  -0.03213       -0.13889   0.06283   0.01002        0.05810  -0.35055   1.42646
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00001   1.00000   1.00000
+ 
+    5  -0.12395  -0.19705  -0.25546        0.30469  -0.40365   0.01074        0.03573  -0.99548   1.87321
+       -0.12395  -0.19705  -0.25546        0.30469  -0.40365   0.01074        0.03573  -0.99548   1.87321
+        1.00001   1.00000   1.00000        0.99999   1.00000   0.99999        0.99998   1.00000   1.00000
+ 
+    6  -0.03171   0.24550   0.02025       -0.12106   0.11063   0.12793       -1.13482  -1.23912   1.14274
+       -0.03171   0.24550   0.02025       -0.12106   0.11063   0.12793       -1.13484  -1.23910   1.14274
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00001   0.99999   1.00000
+ 
+    7  -0.06300   0.12252  -0.16888       -0.09519   0.01842  -0.10001       -0.57764  -1.50012  -0.04425
+       -0.06300   0.12252  -0.16888       -0.09519   0.01842  -0.10001       -0.57764  -1.50011  -0.04425
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00002
+ 
+    8   0.04447  -0.01964   0.08546        0.01861  -0.09588   0.19427       -0.45158  -1.22104   0.26245
+        0.04447  -0.01964   0.08546        0.01861  -0.09588   0.19427       -0.45158  -1.22103   0.26245
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   0.99999
+ 
+    9  -0.13345   0.13710   0.02656       -0.14940   0.11097  -0.02186       -0.48044  -0.63731  -1.29972
+       -0.13345   0.13710   0.02656       -0.14940   0.11097  -0.02186       -0.48044  -0.63730  -1.29972
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00001   0.99999   1.00000
+ 
+   10   0.28352   0.44673   0.11370       -0.12360   0.06882  -0.28529       -0.28682  -1.91076  -2.82487
+        0.28352   0.44673   0.11370       -0.12360   0.06882  -0.28529       -0.28681  -1.91075  -2.82489
+        1.00000   1.00000   1.00000        0.99999   1.00000   1.00000        0.99997   0.99999   1.00001
+ 
+   11  -0.09200   0.06200  -0.23339        0.01081  -0.00036  -0.14029        1.44120  -0.61102   0.55151
+       -0.09200   0.06200  -0.23339        0.01081  -0.00036  -0.14029        1.44119  -0.61102   0.55152
+        1.00000   1.00000   1.00000        1.00000   0.99987   1.00000        0.99999   1.00000   1.00001
+ 
+   12   0.18159  -0.27359  -0.23575       -0.16155   0.53320  -0.28050        1.86208   2.50439   0.76288
+        0.18158  -0.27359  -0.23575       -0.16155   0.53320  -0.28050        1.86212   2.50434   0.76289
+        0.99999   1.00001   1.00000        1.00001   0.99999   1.00000        1.00002   0.99998   1.00001
+ 
+   13   0.09197  -0.15531   0.01700        0.24301  -0.06954  -0.02869        1.35231   1.57833   0.20318
+        0.09197  -0.15531   0.01700        0.24301  -0.06954  -0.02869        1.35230   1.57834   0.20319
+        1.00000   1.00000   0.99999        1.00000   1.00000   1.00000        0.99999   1.00001   1.00002
+ 
+   14  -0.24370   0.05931  -0.04893       -0.17215   0.21954   0.00751        0.79356   1.27951   0.24331
+       -0.24370   0.05931  -0.04893       -0.17215   0.21954   0.00751        0.79357   1.27950   0.24330
+        1.00000   1.00000   1.00001        1.00000   1.00000   1.00000        1.00001   1.00000   0.99999
+ 
+   15   0.22787  -0.11161  -0.28503        0.02031   0.01173   0.10377       -0.33116   1.16452   1.45742
+        0.22787  -0.11161  -0.28503        0.02031   0.01173   0.10377       -0.33115   1.16451   1.45743
+        1.00000   1.00000   1.00000        0.99999   1.00000   1.00000        0.99999   0.99999   1.00001
+ 
+   16  -0.05212   0.04404   0.32469       -0.03884   0.06392  -0.03571        0.52739   0.80476  -1.45677
+       -0.05212   0.04404   0.32469       -0.03884   0.06392  -0.03571        0.52739   0.80475  -1.45676
+        1.00000   1.00000   1.00000        1.00000   1.00000   0.99999        0.99999   0.99999   0.99999
+ 
+   17   0.17102  -0.31024   0.04453        0.08742   0.06773   0.04155        0.47833   2.25957  -0.84013
+        0.17102  -0.31024   0.04453        0.08742   0.06773   0.04155        0.47832   2.25959  -0.84014
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        0.99998   1.00001   1.00001
+ 
+ Calling CHECK_ECARTINT.
+
+Virtual-chain energies:
+
+EVDW=     -3.549038E+01 WEIGHT=    1.000000D+00 (SC-SC)
+EVDW2=     0.000000E+00 WEIGHT=    0.000000D+00 (SC-p)
+EES=       0.000000E+00 WEIGHT=    0.000000D+00 (p-p)
+EVDWPP=    0.000000E+00 WEIGHT=    0.000000D+00 (p-p VDW)
+ESTR=      1.857123E+01 WEIGHT=    0.000000D+00 (stretching)
+EBE=       0.000000E+00 WEIGHT=    0.000000D+00 (bending)
+ESC=       5.355328E+01 WEIGHT=    0.000000D+00 (SC local)
+ETORS=     0.000000E+00 WEIGHT=    0.000000D+00 (torsional)
+ETORSD=    0.000000E+00 WEIGHT=    0.000000D+00 (double torsional)
+EHBP=      0.000000E+00 WEIGHT=    1.000000D+00 (SS bridges & dist. cnstr.)
+ECORR4=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
+ECORR5=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
+ECORR6=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
+EELLO=     0.000000E+00 WEIGHT=    0.000000D+00 (electrostatic-local)
+ETURN3=    0.000000E+00 WEIGHT=    0.000000D+00 (turns, 3rd order)
+ETURN4=    0.000000E+00 WEIGHT=    0.000000D+00 (turns, 4th order)
+ETURN6=    0.000000E+00 WEIGHT=    0.000000D+00 (turns, 6th order)
+EDIHC=     0.000000E+00 (dihedral angle constraints)
+ESS=      -5.500000E+00 (disulfide-bridge intrinsic energy)
+UCONST=     0.000000E+00 (Constraint energy)
+ETOT=     -3.549038E+01 (total)
+    1   0.00000   0.00000   0.00000
+    2   0.00000   0.00000   0.00000
+    3   0.00000   0.00000   0.00000
+    4   0.00000   0.00000   0.00000
+    5   0.00000   0.00000   0.00000
+    6   0.00000   0.00000   0.00000
+    7   0.00000   0.00000   0.00000
+    8   0.00000   0.00000   0.00000
+    9   0.00000   0.00000   0.00000
+   10   0.00000   0.00000   0.00000
+   11   0.00000   0.00000   0.00000
+   12   0.00000   0.00000   0.00000
+   13   0.00000   0.00000   0.00000
+   14   0.00000   0.00000   0.00000
+   15   0.00000   0.00000   0.00000
+   16   0.00000   0.00000   0.00000
+   17   0.00000   0.00000   0.00000
+   18   0.00000   0.00000   0.00000
+
+Gradient in virtual-bond and SC vectors
+
+  0 0.00000E+00 0.00000E+00-3.55271E-10 0.00000E+00 0.00000E+00 0.00000E+00
+    0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00
+    NaN         NaN         -Infinity   NaN         NaN         NaN        
+
+  1-2.39151E-02-1.16421E-02 2.61802E-01 2.39151E-02 1.16421E-02-2.61802E-01
+   -2.39151E-02-1.16421E-02 2.61802E-01 2.39151E-02 1.16421E-02-2.61802E-01
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+  2-2.65095E-01-2.29704E-01 5.50483E-01 1.15694E-02 9.48724E-02-9.16598E-02
+   -2.65095E-01-2.29704E-01 5.50483E-01 1.15694E-02 9.48724E-02-9.16598E-02
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+  3 1.10970E-01 9.81528E-01-3.54706E-01-8.60747E-01-1.07253E+00 2.84949E+00
+    1.10970E-01 9.81528E-01-3.54706E-01-8.60747E-01-1.07253E+00 2.84949E+00
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+  4 4.78539E-01 1.35953E+00-2.43322E+00-1.12562E+00-1.57768E+00 1.33736E+00
+    4.78539E-01 1.35953E+00-2.43322E+00-1.12562E+00-1.57768E+00 1.33736E+00
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+  5 1.34091E+00-1.54607E+00-2.76652E+00-2.84536E+00 1.74670E+00 1.50684E+00
+    1.34091E+00-1.54607E+00-2.76652E+00-2.84536E+00 1.74670E+00 1.50684E+00
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+  6 7.34243E-01-2.04902E+00-2.93979E+00-3.65710E-01 3.45535E-01 5.73949E-02
+    7.34243E-01-2.04902E+00-2.93979E+00-3.65710E-01 3.45535E-01 5.73949E-02
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+  7 1.51959E+00-1.06446E+00-3.20817E+00-4.19449E-01 7.06181E-02 3.33669E-01
+    1.51959E+00-1.06446E+00-3.20817E+00-4.19449E-01 7.06181E-02 3.33669E-01
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+  8 1.17292E+00-1.96136E+00-3.72774E+00-2.58022E-01 6.85048E-01 8.39816E-01
+    1.17292E+00-1.96136E+00-3.72774E+00-2.58022E-01 6.85048E-01 8.39816E-01
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+  9 1.99147E+00-1.40547E+00-4.21963E+00-2.53448E-01 3.53366E-01 1.10117E-01
+    1.99147E+00-1.40547E+00-4.21963E+00-2.53448E-01 3.53366E-01 1.10117E-01
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+ 10 2.56487E+00-1.73581E+00-3.61085E+00-4.43607E-01 4.24139E-01-4.41783E-01
+    2.56487E+00-1.73581E+00-3.61085E+00-4.43607E-01 4.24139E-01-4.41783E-01
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+ 11 2.05532E+00-1.43129E+00-3.32699E+00 3.36917E-01 7.93817E-01-6.56672E-01
+    2.05532E+00-1.43129E+00-3.32699E+00 3.36917E-01 7.93817E-01-6.56672E-01
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+ 12 2.68737E+00-5.10665E-01-2.69936E+00-8.27678E-03-6.12278E-01-5.53990E-01
+    2.68737E+00-5.10665E-01-2.69936E+00-8.27678E-03-6.12278E-01-5.53990E-01
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+ 13 1.92060E+00 4.82286E-01-3.31603E+00 1.12496E+00-6.83366E-01-2.69600E-01
+    1.92060E+00 4.82286E-01-3.31603E+00 1.12496E+00-6.83366E-01-2.69600E-01
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+ 14 6.75513E-01 2.53797E-01 1.56100E-01 1.45771E+00-9.27618E-01-8.44107E+00
+    6.75513E-01 2.53797E-01 1.56100E-01 1.45771E+00-9.27618E-01-8.44107E+00
+    1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00 1.00000E+00
+
+ 15 4.21583E-01 3.73695E-01 1.66207E-02 1.50333E-01 6.47743E-01 9.00175E-02
+    4.21583E-01 3.73695E-01 1.66207E-02 1.50333E-01 6.47743E-01 9.00176E-02
+    1.00000E+00 1.00000E+00 9.99998E-01 1.00000E+00 1.00000E+00 9.99998E-01
+
+ 16-1.22808E+00-3.30471E-01 3.36544E-01 2.17272E+00 7.06493E-01-4.08773E-02
+   -1.22801E+00-3.30442E-01 3.36524E-01 2.17265E+00 7.06462E-01-4.08526E-02
+    1.00006E+00 1.00009E+00 1.00006E+00 1.00003E+00 1.00004E+00 1.00060E+00
+
+ 17 3.07949E-02-1.83191E-01 6.10671E-01-8.89821E-01 1.20160E+00-1.16578E+00
+    3.07966E-02-1.83176E-01 6.10629E-01-8.89761E-01 1.20153E+00-1.16571E+00
+    9.99947E-01 1.00008E+00 1.00007E+00 1.00007E+00 1.00006E+00 1.00006E+00
+
+ 18 0.00000E+00 0.00000E+00 0.00000E+00 3.07949E-02-1.83191E-01 6.10671E-01
+    0.00000E+00 0.00000E+00 0.00000E+00 3.07966E-02-1.83176E-01 6.10629E-01
+    NaN         NaN         NaN         9.99947E-01 1.00008E+00 1.00007E+00
+
+Processor   0 is finishing work.
+ Total time  3.239699999994627E-002  sec
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small_GB000.int b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small_GB000.int
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small_GB000.mol2 b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small_GB000.mol2
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small_GB000.pdb b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small_GB000.pdb
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small_GB000.stat b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/small_GB000.stat
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/ss.pdb b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/ss.pdb
new file mode 100644
index 0000000..072c597
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/ss.pdb
@@ -0,0 +1,56 @@
+REMARK time 4389.65                                       ENERGY     7.39026E+00
+SSBOND   1 CYS      4    CYS     13
+ATOM      1  CA  GLY     1      18.887 -10.163 -10.608          0.012
+ATOM      2  CA  ALA     2      18.562  -9.885  -6.834          0.020
+ATOM      3  CB  ALA     2      18.353  -9.134  -6.608          0.009
+ATOM      4  CA  ALA     3      16.754 -11.361  -3.915          0.008
+ATOM      5  CB  ALA     3      16.860 -12.098  -3.836          0.112
+ATOM      6  CA  ALA     4      16.762  -9.897  -0.433          0.060
+ATOM      7  CB  ALA     4      16.145  -9.572  -0.328          0.050
+ATOM      8  CA  CYS     5      15.755 -12.524   2.082          0.002
+ATOM      9  CB  CYS     5      16.051 -13.633   1.487          0.072
+ATOM     10  CA  ALA     6      15.104 -12.916   5.816          0.009
+ATOM     11  CB  ALA     6      14.965 -12.382   6.257          0.010
+ATOM     12  CA  ALA     7      12.233 -15.298   5.159          0.023
+ATOM     13  CB  ALA     7      11.752 -15.096   4.590          0.108
+ATOM     14  CA  ALA     8      12.615 -18.906   4.131          0.042
+ATOM     15  CB  ALA     8      12.996 -18.890   4.861          0.008
+ATOM     16  CA  ALA     9       9.909 -21.356   3.181          0.011
+ATOM     17  CB  ALA     9       9.333 -20.985   3.212          0.086
+ATOM     18  CA  ALA    10      10.743 -20.954  -0.478          0.081
+ATOM     19  CB  ALA    10      10.850 -20.324  -0.915          0.001
+ATOM     20  CA  ALA    11      12.566 -23.869  -1.971          0.022
+ATOM     21  CB  ALA    11      12.731 -24.062  -2.616          0.275
+ATOM     22  CA  ALA    12      15.810 -21.927  -1.726          0.004
+ATOM     23  CB  ALA    12      15.774 -21.687  -2.426          0.135
+ATOM     24  CA  ALA    13      18.582 -20.075   0.198          0.010
+ATOM     25  CB  ALA    13      19.150 -20.569   0.255          0.020
+ATOM     26  CA  CYS    14      19.577 -16.394  -0.296          0.009
+ATOM     27  CB  CYS    14      18.494 -15.682  -0.508          0.016
+ATOM     28  CA  ALA    15      22.406 -14.224   1.116          0.034
+ATOM     29  CB  ALA    15      23.137 -14.120   1.199          0.111
+ATOM     30  CA  ALA    16      22.651 -10.366   0.632          0.010
+ATOM     31  CB  ALA    16      22.481  -9.688   0.945          0.009
+ATOM     32  CA  ALA    17      25.991  -8.590   0.178          0.018
+ATOM     33  CB  ALA    17      26.589  -8.669   0.306          0.039
+ATOM     34  CA  GLY    18      26.757  -7.435  -3.316          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    9   27
+ENDMDL
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/unres_REMD_intel.exe b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/unres_REMD_intel.exe
new file mode 100755
index 0000000000000000000000000000000000000000..a7610970a2a77021c4bff8e73864a05bda4e47f5
GIT binary patch
literal 2557094
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literal 0
HcmV?d00001

diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/unres_eval.csh b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/unres_eval.csh
new file mode 100755
index 0000000..3095e6c
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad/unres_eval.csh
@@ -0,0 +1,24 @@
+#!/bin/csh
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX small
+setenv OUT1FILE NO
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN ./unres_REMD_intel.exe 
+#-----------------------------------------------------------------------------
+setenv DD /users/czarek/UNRES/GIT/unres/PARAM
+setenv BONDPAR $DD/bond.parm
+setenv THETPAR $DD/thetaml.5parm
+setenv ROTPAR $DD/scgauss.parm
+setenv TORPAR $DD/torsion_631Gdp.parm
+setenv TORDPAR $DD/torsion_double_631Gdp.parm
+setenv ELEPAR $DD/electr_631Gdp.parm
+setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
+setenv SCPPAR $DD/scp.parm
+setenv PATTERN $DD/patterns.cart
+setenv PRINT_PARM NO
+#-----------------------------------------------------------------------------
+
+$UNRES_BIN $*
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small.inp b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small.inp
new file mode 100644
index 0000000..4d6a6fe
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small.inp
@@ -0,0 +1,13 @@
+small
+SEED=-1111333 CHECKGRAD CART ONE_LETTER pdbstart UNRES_PDB 
+WLONG=1.00000 WSCP=0.00000 WELEC=0.00000 WBOND=0.00000 WANG=0.00000            &
+WSCLOC=0.00000 WTOR=0.00000 WTORD=0.00000 WCORRH=0.00000 WCORR5=0.00000        &
+WCORR6=0.00000 WEL_LOC=0.00000 WTURN3=0.00000 WTURN4=0.00000 WTURN6=0.00000    &
+WVDWPP=0.00000 WHPB=1.00000                                                    &
+CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0 dyn_ss ebr=-5.5
+ss.pdb
+2 5 14
+0 5 14
+ 0
+0 0 0 0
+300
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small.intin b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small.intin
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small.out_GB000 b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small.out_GB000
new file mode 100644
index 0000000..64f37b0
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small.out_GB000
@@ -0,0 +1,1867 @@
+--------------------------------------------------------------------------------
+                              FILE ASSIGNMENT
+--------------------------------------------------------------------------------
+ Input file                      : small.inp
+ Output file                     : small.out_GB000
+ 
+ Sidechain potential file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-
+ 10-8k
+ SCp potential file              : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm
+ Electrostatic potential file    : 
+ /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm
+ Cumulant coefficient file       : 
+ /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ Torsional parameter file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm
+ Double torsional parameter file : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm
+ Bond & inertia constant file    : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm
+ Bending parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm
+ Rotamer parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm
+ Threading database              : 
+ /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart
+--------------------------------------------------------------------------------
+ time after openunits  7.812500000000000E-003
+ ### LAST MODIFIED  6/23/05 7:29PM by czarek
+ ++++ Compile info ++++
+ Version 2.2 build 2858
+ compiled Fri Feb 15 07:35:58 2013
+ compiled by czarek@piasek3
+ OS name:    Linux 
+ OS release: 2.6.32-42-generic 
+ flags:
+ FC = mpif90
+ UNRES_BIN = ${HOME}/UNRES/NEW/bin/unres_REMD_in...
+ OPT = -O3 -w -pc64 -tpp6 -ip
+ FFLAGS = -c ${OPT}
+ FFLAGSE = -c -O3 -w -pc64 -tpp6 -ipo -ipo_obj -...
+ CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DPGI -DS...
+ LIBS = -Lxdrf -lxdrf
+ objectCSA = unres_CSA.o arcos.o cartprint.o cha...
+ ++++ End of compile info ++++
+ ntortyp           3
+
+Potential is GB , exponents are   6 12
+
+Disulfide bridge parameters:
+S-S bridge energy:      -5.50
+d0cm:      3.78 akcm:     15.10
+akth:     11.00 akct:     12.00
+v1ss:     -1.08 v2ss:      7.61 v3ss:     13.70
+Random seed:           -1111333.            -1111333
+ MPI: node=            0  iseed(4)=            0           0         -16
+      -62756
+ ran_num  0.000000000000000E+000
+RMSDBC =        3.0
+RMSDBC1 =        0.5
+RMSDBC1MAX =        1.5
+DRMS    =        0.1
+RMSDBCM =        3.0
+Time limit (min):      60.0
+ RESCALE_MODE           1
+Library  routine used to diagonalize matrices.
+
+Energy-term weights (unscaled):
+
+WSCC=     1.000000 (SC-SC)
+WSCP=     0.000000 (SC-p)
+WELEC=    0.000000 (p-p electr)
+WVDWPP=   0.000000 (p-p VDW)
+WBOND=    0.000000 (stretching)
+WANG=     0.000000 (bending)
+WSCLOC=   0.000000 (SC local)
+WTOR=     0.000000 (torsional)
+WTORD=    0.000000 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  0.000000 (multi-body 3-rd order)
+WCORR4=   0.000000 (multi-body 4th order)
+WCORR5=   0.000000 (multi-body 5th order)
+WCORR6=   0.000000 (multi-body 6th order)
+WTURN3=   0.000000 (turns, 3rd order)
+WTURN4=   0.000000 (turns, 4th order)
+WTURN6=   0.000000 (turns, 6th order)
+Scaling factor of 1,4 SC-p interactions:   0.400
+General scaling factor of SC-p interactions:   1.000
+
+Energy-term weights (scaled):
+
+WSCC=     1.000000 (SC-SC)
+WSCP=     0.000000 (SC-p)
+WELEC=    0.000000 (p-p electr)
+WVDWPP=   0.000000 (p-p VDW)
+WBOND=    0.000000 (stretching)
+WANG=     0.000000 (bending)
+WSCLOC=   0.000000 (SC local)
+WTOR=     0.000000 (torsional)
+WTORD=    0.000000 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  0.000000 (multi-body 3-rd order)
+WCORR4=   0.000000 (multi-body 4th order)
+WCORR5=   0.000000 (multi-body 5th order)
+WCORR6=   0.000000 (multi-body 6th order)
+WTURN3=   0.000000 (turns, 3rd order)
+WTURN4=   0.000000 (turns, 4th order)
+WTURN6=   0.000000 (turns, 6th order)
+ Reference temperature for weights calculation:   300.000000000000     
+ Parameters of the SS-bond potential:
+ D0CM   3.78000000000000       AKCM   15.1000000000000       AKTH
+   11.0000000000000       AKCT   12.0000000000000     
+ V1SS  -1.08000000000000       V2SS   7.61000000000000       V3SS
+   13.7000000000000     
+ EBR  -5.50000000000000       SS_DEPTH  -6.90133843152500     
+  HT  -1.40133843152500     
+PDB data will be read from file ss.pdb                                                          
+  1 10  GLY  18.887 -10.163 -10.608
+  2  9  ALA  18.562  -9.885  -6.834
+  3  9  ALA  16.754 -11.361  -3.915
+  4  9  ALA  16.762  -9.897  -0.433
+  5  1  CYS  15.755 -12.524   2.082
+  6  9  ALA  15.104 -12.916   5.816
+  7  9  ALA  12.233 -15.298   5.159
+  8  9  ALA  12.615 -18.906   4.131
+  9  9  ALA   9.909 -21.356   3.181
+ 10  9  ALA  10.743 -20.954  -0.478
+ 11  9  ALA  12.566 -23.869  -1.971
+ 12  9  ALA  15.810 -21.927  -1.726
+ 13  9  ALA  18.582 -20.075   0.198
+ 14  1  CYS  19.577 -16.394  -0.296
+ 15  9  ALA  22.406 -14.224   1.116
+ 16  9  ALA  22.651 -10.366   0.632
+ 17  9  ALA  25.991  -8.590   0.178
+ 18 10  GLY  26.757  -7.435  -3.316
+ Nres:    18
+  1 10  GLY  18.887 -10.163 -10.608       18.887 -10.163 -10.608
+  2  9  ALA  18.562  -9.885  -6.834       18.353  -9.134  -6.608
+  3  9  ALA  16.754 -11.361  -3.915       16.860 -12.098  -3.836
+  4  9  ALA  16.762  -9.897  -0.433       16.145  -9.572  -0.328
+  5  1  CYS  15.755 -12.524   2.082       16.051 -13.633   1.487
+  6  9  ALA  15.104 -12.916   5.816       14.965 -12.382   6.257
+  7  9  ALA  12.233 -15.298   5.159       11.752 -15.096   4.590
+  8  9  ALA  12.615 -18.906   4.131       12.996 -18.890   4.861
+  9  9  ALA   9.909 -21.356   3.181        9.333 -20.985   3.212
+ 10  9  ALA  10.743 -20.954  -0.478       10.850 -20.324  -0.915
+ 11  9  ALA  12.566 -23.869  -1.971       12.731 -24.062  -2.616
+ 12  9  ALA  15.810 -21.927  -1.726       15.774 -21.687  -2.426
+ 13  9  ALA  18.582 -20.075   0.198       19.150 -20.569   0.255
+ 14  1  CYS  19.577 -16.394  -0.296       18.494 -15.682  -0.508
+ 15  9  ALA  22.406 -14.224   1.116       23.137 -14.120   1.199
+ 16  9  ALA  22.651 -10.366   0.632       22.481  -9.688   0.945
+ 17  9  ALA  25.991  -8.590   0.178       26.589  -8.669   0.306
+ 18 10  GLY  26.757  -7.435  -3.316       26.757  -7.435  -3.316
+
+Internal coordinates calculated from crystal structure.
+  Res         dvb     Theta       Phi    Dsc_id       Dsc     Alpha     Omega
+ALA   2     3.798     0.000     0.000     0.743     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.743     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.743     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.237     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.743     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.743     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.743     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.743     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.743     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.743     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.743     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.743     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.237     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.743     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.743     0.617   138.711   -49.120
+nsup= 18 nstart_sup=  1
+Contact map:
+  1  CYS  14  ALA   3
+  2  CYS  14  CYS   5
+ ITEL
+           1          10           1
+           2           9           1
+           3           9           1
+           4           9           1
+           5           1           1
+           6           9           1
+           7           9           1
+           8           9           1
+           9           9           1
+          10           9           1
+          11           9           1
+          12           9           1
+          13           9           1
+          14           1           1
+          15           9           1
+          16           9           1
+          17           9           1
+ ns=           2  iss:           5          14
+ nss=           0  ihpb,jhpb: 
+Boundaries in phi angle sampling:
+GLY    1    -180.0     180.0
+ALA    2    -180.0     180.0
+ALA    3    -180.0     180.0
+ALA    4    -180.0     180.0
+CYS    5    -180.0     180.0
+ALA    6    -180.0     180.0
+ALA    7    -180.0     180.0
+ALA    8    -180.0     180.0
+ALA    9    -180.0     180.0
+ALA   10    -180.0     180.0
+ALA   11    -180.0     180.0
+ALA   12    -180.0     180.0
+ALA   13    -180.0     180.0
+CYS   14    -180.0     180.0
+ALA   15    -180.0     180.0
+ALA   16    -180.0     180.0
+ALA   17    -180.0     180.0
+GLY   18    -180.0     180.0
+ NZ_START=           1  NZ_END=          18
+ IZ_SC=           0
+
+Geometry of the virtual chain.
+  Res           d     Theta       Phi       Dsc     Alpha      Omega
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.798     0.000     0.000     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
+GLY  18     3.759   115.636   105.386     0.000     0.000     0.000
+
+The chain contains  2 disulfide-bridging cysteines.
+   5  14
+ Running with dynamic disulfide-bond formation
+Checking energy gradient calculation.
+
+********************************************************************************
+
+
+
+              alpha-carbon coordinates            centroid coordinates
+             X           Y           Z          X           Y           Z
+GLY(  1)     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+ALA(  2)    -0.32500     0.27800     3.77400    -0.53400     1.02900     4.00000
+ALA(  3)    -2.13300    -1.19800     6.69300    -2.02700    -1.93500     6.77200
+ALA(  4)    -2.12500     0.26600    10.17500    -2.74200     0.59100    10.28000
+CYS(  5)    -3.13200    -2.36100    12.69000    -2.83600    -3.47000    12.09500
+ALA(  6)    -3.78300    -2.75300    16.42400    -3.92200    -2.21900    16.86500
+ALA(  7)    -6.65400    -5.13500    15.76700    -7.13500    -4.93300    15.19800
+ALA(  8)    -6.27200    -8.74300    14.73900    -5.89100    -8.72700    15.46900
+ALA(  9)    -8.97800   -11.19300    13.78900    -9.55400   -10.82200    13.82000
+ALA( 10)    -8.14400   -10.79100    10.13000    -8.03700   -10.16100     9.69300
+ALA( 11)    -6.32100   -13.70600     8.63700    -6.15600   -13.89900     7.99200
+ALA( 12)    -3.07700   -11.76400     8.88200    -3.11300   -11.52400     8.18200
+ALA( 13)    -0.30500    -9.91200    10.80600     0.26300   -10.40600    10.86300
+CYS( 14)     0.69000    -6.23100    10.31200    -0.39300    -5.51900    10.10000
+ALA( 15)     3.51900    -4.06100    11.72400     4.25000    -3.95700    11.80700
+ALA( 16)     3.76400    -0.20300    11.24000     3.59400     0.47500    11.55300
+ALA( 17)     7.10400     1.57300    10.78600     7.70200     1.49400    10.91400
+GLY( 18)     7.87000     2.72800     7.29200     7.87000     2.72800     7.29200
+
+Geometry of the virtual chain.
+  Res           d     Theta       Phi       Dsc     Alpha      Omega
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.798     0.000     0.000     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
+GLY  18     3.759   115.636   105.386     0.000   180.000   180.000
+  SSBOND_E_FORM        0.00   300.0    5   14
+  -2.45807230412659        1.80470453017382        1.51703832903295     
+   1.36361780614768       -1.07966110591645       -8.24037709937597     
+   1.06195251683254       -1.58561465760872       -2.75723183460653     
+  0.267851272530055      -1.710486609373014E-002  0.117000976879654     
+ dyn_ssbond_ene   -6.26042659661812     
+    SSBOND_FORM        0.00   300.0    5   14
+
+Virtual-chain energies:
+
+EVDW=     -3.549037E+01 WEIGHT=    1.000000D+00 (SC-SC)
+EVDW2=     0.000000E+00 WEIGHT=    0.000000D+00 (SC-p)
+EES=       0.000000E+00 WEIGHT=    0.000000D+00 (p-p)
+EVDWPP=    0.000000E+00 WEIGHT=    0.000000D+00 (p-p VDW)
+ESTR=      1.857136E+01 WEIGHT=    0.000000D+00 (stretching)
+EBE=       0.000000E+00 WEIGHT=    0.000000D+00 (bending)
+ESC=       5.355337E+01 WEIGHT=    0.000000D+00 (SC local)
+ETORS=     0.000000E+00 WEIGHT=    0.000000D+00 (torsional)
+ETORSD=    0.000000E+00 WEIGHT=    0.000000D+00 (double torsional)
+EHBP=      0.000000E+00 WEIGHT=    1.000000D+00 (SS bridges & dist. cnstr.)
+ECORR4=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
+ECORR5=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
+ECORR6=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
+EELLO=     0.000000E+00 WEIGHT=    0.000000D+00 (electrostatic-local)
+ETURN3=    0.000000E+00 WEIGHT=    0.000000D+00 (turns, 3rd order)
+ETURN4=    0.000000E+00 WEIGHT=    0.000000D+00 (turns, 4th order)
+ETURN6=    0.000000E+00 WEIGHT=    0.000000D+00 (turns, 6th order)
+EDIHC=     0.000000E+00 (dihedral angle constraints)
+ESS=      -5.500000E+00 (disulfide-bridge intrinsic energy)
+UCONST=     0.000000E+00 (Constraint energy)
+ETOT=     -3.549037E+01 (total)
+
+Geometry of the virtual chain.
+  Res           d     Theta       Phi       Dsc     Alpha      Omega
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.798     0.000     0.000     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
+GLY  18     3.759   115.636   105.386     0.000   180.000   180.000
+ Analytical (upper) and numerical (lower) gradient of theta
+ 
+    3  -0.17822  -0.19379  -0.00107        0.12874   0.16734   0.16436
+       -0.17822  -0.19379  -0.00107        0.12874   0.16734   0.16436
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    4   0.08953   0.19831   0.15573       -0.15572  -0.19724   0.08329
+        0.08953   0.19831   0.15573       -0.15572  -0.19724   0.08329
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    5  -0.07544  -0.23387   0.09850        0.02650   0.17696   0.19546
+       -0.07544  -0.23387   0.09850        0.02650   0.17697   0.19546
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    6   0.01442   0.18008   0.19387       -0.05566  -0.25387  -0.03636
+        0.01442   0.18008   0.19387       -0.05566  -0.25387  -0.03636
+        0.99997   1.00000   1.00000        1.00001   1.00000   1.00000
+ 
+    7  -0.19788  -0.16442  -0.05176       -0.04027  -0.02314   0.25988
+       -0.19788  -0.16442  -0.05176       -0.04027  -0.02314   0.25988
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    8   0.17220  -0.19216  -0.05581       -0.26381  -0.02632  -0.00565
+        0.17220  -0.19216  -0.05581       -0.26381  -0.02632  -0.00565
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00004
+ 
+    9  -0.26294  -0.01981  -0.02816        0.18343  -0.18730  -0.03947
+       -0.26294  -0.01981  -0.02816        0.18344  -0.18730  -0.03947
+        1.00000   1.00000   1.00001        1.00000   1.00000   1.00001
+ 
+   10   0.06172   0.03108  -0.25595       -0.19107  -0.17258  -0.06251
+        0.06172   0.03108  -0.25595       -0.19107  -0.17258  -0.06251
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   11   0.11496  -0.23871  -0.00002        0.00620   0.12465  -0.23580
+        0.11496  -0.23871  -0.00002        0.00620   0.12465  -0.23580
+        1.00000   1.00000   1.00040        0.99998   1.00000   1.00000
+ 
+   12   0.22947   0.13510   0.01641        0.13017  -0.20419  -0.10500
+        0.22947   0.13510   0.01641        0.13017  -0.20419  -0.10500
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   13  -0.02765   0.01312   0.26216        0.12335   0.04768  -0.22362
+       -0.02765   0.01312   0.26216        0.12335   0.04768  -0.22362
+        1.00000   0.99996   1.00000        1.00000   0.99999   1.00000
+ 
+   14  -0.05144   0.21642  -0.13420        0.18222  -0.02457   0.18394
+       -0.05144   0.21642  -0.13420        0.18222  -0.02457   0.18394
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   15   0.20013  -0.03223   0.16295       -0.08838   0.20395  -0.13637
+        0.20013  -0.03223   0.16295       -0.08838   0.20395  -0.13637
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   16  -0.11056   0.21194  -0.10420        0.21780   0.00320   0.13578
+       -0.11056   0.21194  -0.10420        0.21780   0.00320   0.13578
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   17   0.25552  -0.01825  -0.01610       -0.12490   0.23007  -0.01887
+        0.25552  -0.01825  -0.01610       -0.12490   0.23007  -0.01887
+        1.00000   1.00000   1.00001        1.00000   1.00000   1.00001
+ 
+   18  -0.05109   0.03074  -0.25561        0.23267   0.09832   0.08351
+       -0.05109   0.03074  -0.25561        0.23267   0.09832   0.08351
+        1.00000   0.99999   1.00000        1.00000   1.00000   1.00000
+ 
+ Analytical (upper) and numerical (lower) gradient of gamma
+    4   0.31299  -0.28811   0.04818       -0.10230   0.13119   0.00297       -0.25968   0.17432  -0.07270
+        0.31299  -0.28811   0.04818       -0.10230   0.13119   0.00297       -0.25968   0.17432  -0.07270
+        1.00000   1.00000   1.00000        1.00000   1.00000   0.99999        1.00000   1.00000   1.00000
+ 
+    5  -0.26245   0.17618  -0.07347        0.05398  -0.07309   0.03061        0.27052  -0.07436   0.03064
+       -0.26245   0.17618  -0.07347        0.05398  -0.07309   0.03061        0.27052  -0.07436   0.03064
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    6   0.27026  -0.07429   0.03061        0.21493  -0.04852   0.03538       -0.39597   0.09527  -0.05903
+        0.27026  -0.07429   0.03061        0.21493  -0.04852   0.03538       -0.39597   0.09527  -0.05903
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    7  -0.39984   0.09620  -0.05961        0.30097  -0.06847   0.04528        0.16749  -0.20402   0.00778
+       -0.39984   0.09620  -0.05961        0.30097  -0.06847   0.04528        0.16749  -0.20402   0.00778
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    8   0.16649  -0.20281   0.00774       -0.00529   0.05529  -0.17735        0.00216  -0.08839   0.31102
+        0.16649  -0.20281   0.00774       -0.00529   0.05529  -0.17735        0.00216  -0.08839   0.31102
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+    9   0.00215  -0.08799   0.30963       -0.01815  -0.00793   0.02109        0.02738   0.09473  -0.32229
+        0.00215  -0.08799   0.30963       -0.01815  -0.00793   0.02109        0.02738   0.09473  -0.32229
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   10   0.02739   0.09475  -0.32237       -0.01977  -0.05521   0.19870        0.17399  -0.19907   0.01779
+        0.02739   0.09475  -0.32237       -0.01977  -0.05521   0.19870        0.17399  -0.19907   0.01779
+        1.00000   1.00000   1.00000        1.00001   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   11   0.17410  -0.19919   0.01780        0.10140   0.05349   0.02899       -0.25559  -0.12308  -0.07178
+        0.17410  -0.19919   0.01780        0.10140   0.05349   0.02899       -0.25559  -0.12308  -0.07178
+        1.00000   1.00000   1.00000        1.00000   0.99999   1.00000        1.00000   1.00000   1.00000
+ 
+   12  -0.25382  -0.12223  -0.07128        0.10532   0.04977   0.03143        0.04062  -0.09832   0.24156
+       -0.25382  -0.12223  -0.07128        0.10532   0.04977   0.03143        0.04062  -0.09832   0.24156
+        1.00000   1.00000   1.00000        1.00000   1.00001   1.00000        1.00000   1.00000   1.00000
+ 
+   13   0.04105  -0.09938   0.24417       -0.26842   0.45460  -0.04922        0.29539  -0.50052   0.05621
+        0.04105  -0.09938   0.24417       -0.26842   0.45459  -0.04922        0.29539  -0.50052   0.05621
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   0.99999
+ 
+   14   0.30009  -0.50848   0.05710       -0.14065   0.39737  -0.17986       -0.21281   0.08738   0.22249
+        0.30009  -0.50848   0.05710       -0.14065   0.39737  -0.17986       -0.21281   0.08738   0.22250
+        1.00000   1.00000   1.00001        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   15  -0.21258   0.08729   0.22226       -0.01889   0.01296   0.05849        0.20908  -0.09346  -0.27527
+       -0.21258   0.08729   0.22226       -0.01889   0.01296   0.05849        0.20908  -0.09346  -0.27527
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   16   0.20853  -0.09321  -0.27455       -0.05044   0.03954   0.04030       -0.16290   0.04300   0.26030
+        0.20853  -0.09321  -0.27455       -0.05044   0.03954   0.04030       -0.16290   0.04300   0.26030
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+   17  -0.16550   0.04369   0.26445        0.10282  -0.00484   0.01348       -0.02198  -0.03710  -0.30685
+       -0.16550   0.04369   0.26445        0.10282  -0.00484   0.01348       -0.02198  -0.03710  -0.30685
+        1.00000   1.00000   1.00000        1.00000   1.00000   0.99998        1.00000   1.00000   1.00000
+ 
+   18  -0.02150  -0.03628  -0.30008        0.06711  -0.09073   0.13874       -0.12984   0.25877   0.05708
+       -0.02150  -0.03628  -0.30008        0.06710  -0.09073   0.13874       -0.12984   0.25877   0.05708
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000
+ 
+ Analytical (upper) and numerical (lower) gradient of alpha
+    2  -0.30847   0.24341  -0.04449        0.27838  -0.28865   0.02647        1.18011   0.25429   0.24633
+       -0.30847   0.24341  -0.04449        0.27838  -0.28865   0.02647        1.18012   0.25429   0.24632
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   0.99999   0.99998
+ 
+    3   0.23552  -0.14528   0.07242       -0.22091   0.16327  -0.06814       -1.23616  -0.22625  -0.45209
+        0.23552  -0.14529   0.07242       -0.22091   0.16327  -0.06814       -1.23616  -0.22625  -0.45210
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00001   1.00002
+ 
+    4  -0.22456   0.03549  -0.01441        0.21427  -0.07788   0.00444        0.68445   1.21216   0.27001
+       -0.22456   0.03549  -0.01441        0.21427  -0.07788   0.00444        0.68445   1.21215   0.27000
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00001   0.99999   0.99999
+ 
+    5   0.36227  -0.11024   0.02990       -0.36756   0.05483  -0.05833       -0.75281  -0.16235  -0.07191
+        0.36227  -0.11024   0.02990       -0.36756   0.05483  -0.05833       -0.75281  -0.16235  -0.07192
+        1.00000   1.00000   1.00000        1.00000   0.99999   1.00000        1.00000   1.00002   1.00009
+ 
+    6  -0.13129   0.13286  -0.00894        0.12147  -0.14315  -0.01183        1.14083  -0.33694   0.76757
+       -0.13129   0.13286  -0.00894        0.12147  -0.14315  -0.01183        1.14083  -0.33694   0.76756
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00001        1.00000   1.00000   0.99999
+ 
+    7   0.01761   0.05427  -0.27372        0.03169  -0.07336   0.26925       -0.90003   0.32076   0.87471
+        0.01761   0.05427  -0.27372        0.03169  -0.07336   0.26925       -0.90004   0.32076   0.87472
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00001   0.99998   1.00001
+ 
+    8   0.04077  -0.07028   0.26180        0.06524   0.03048  -0.26442        0.99413  -0.47694  -0.50840
+        0.04077  -0.07028   0.26180        0.06524   0.03048  -0.26442        0.99412  -0.47694  -0.50840
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        0.99999   1.00001   0.99999
+ 
+    9  -0.12242   0.14260  -0.01906        0.12865  -0.13744   0.01422       -0.64458  -1.06427   0.76013
+       -0.12242   0.14260  -0.01906        0.12865  -0.13744   0.01422       -0.64459  -1.06426   0.76012
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00001   0.99999   1.00000
+ 
+   10   0.21265   0.02734   0.05147       -0.18617  -0.12070   0.00835       -1.27474   0.20847  -0.01158
+        0.21265   0.02734   0.05147       -0.18617  -0.12070   0.00835       -1.27474   0.20846  -0.01159
+        1.00000   0.99998   1.00000        1.00000   1.00000   0.99999        1.00000   0.99996   1.00121
+ 
+   11   0.04230   0.09611  -0.13599       -0.01401   0.00203   0.16939       -0.62767  -1.27975   0.22237
+        0.04230   0.09611  -0.13599       -0.01401   0.00203   0.16939       -0.62767  -1.27976   0.22237
+        1.00000   1.00000   1.00000        1.00000   1.00001   1.00000        1.00000   1.00000   1.00001
+ 
+   12  -0.26857   0.46101  -0.09819        0.29087  -0.44766   0.01184        1.09796  -0.72359  -0.30455
+       -0.26856   0.46101  -0.09819        0.29087  -0.44766   0.01184        1.09795  -0.72360  -0.30456
+        1.00000   1.00000   1.00000        1.00000   1.00000   0.99996        0.99999   1.00001   1.00002
+ 
+   13   0.19081  -0.09364  -0.18477       -0.17271   0.07485   0.20989       -0.15993  -0.03220   1.31455
+        0.19081  -0.09364  -0.18477       -0.17272   0.07485   0.20989       -0.15993  -0.03221   1.31455
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00002   1.00020   1.00000
+ 
+   14  -0.19507   0.08611   0.24877        0.19012  -0.08188  -0.25509        0.16897   0.03622  -0.74157
+       -0.19507   0.08611   0.24877        0.19012  -0.08188  -0.25509        0.16897   0.03621  -0.74157
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   0.99990   1.00000
+ 
+   15   0.03761   0.06526  -0.17564       -0.17139   0.02027   0.07483        0.05250  -1.04481   0.84676
+        0.03761   0.06526  -0.17564       -0.17140   0.02027   0.07483        0.05250  -1.04481   0.84675
+        0.99999   1.00000   1.00000        1.00000   1.00000   1.00000        0.99998   1.00000   0.99999
+ 
+   16   0.10823   0.01417   0.16775        0.03409  -0.10773  -0.17063       -1.21049  -0.08064  -0.48278
+        0.10823   0.01417   0.16775        0.03409  -0.10773  -0.17063       -1.21050  -0.08064  -0.48278
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00001   1.00001
+ 
+   17   0.06525  -0.15331  -0.11968       -0.15922   0.13342   0.00920       -0.23848   0.60314   1.48639
+        0.06525  -0.15331  -0.11968       -0.15922   0.13342   0.00920       -0.23847   0.60312   1.48638
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        0.99999   0.99998   1.00000
+ 
+ Analytical (upper) and numerical (lower) gradient of omega
+    2  -0.08700   0.21060  -0.02300       -0.00542   0.10924   0.05188       -0.19629  -0.48978   1.44601
+       -0.08700   0.21060  -0.02300       -0.00542   0.10924   0.05188       -0.19629  -0.48977   1.44601
+        1.00000   1.00000   1.00000        0.99996   1.00000   1.00000        1.00001   0.99999   1.00000
+ 
+    3   0.09884  -0.20647  -0.04318        0.01169  -0.17149   0.07208       -0.69351   0.09825   1.84710
+        0.09884  -0.20647  -0.04318        0.01169  -0.17149   0.07207       -0.69350   0.09825   1.84709
+        1.00000   1.00000   1.00000        1.00001   1.00000   1.00000        0.99998   1.00001   0.99999
+ 
+    4  -0.15717   0.07727  -0.03213       -0.13889   0.06283   0.01002        0.05810  -0.35055   1.42646
+       -0.15717   0.07727  -0.03213       -0.13889   0.06283   0.01002        0.05810  -0.35055   1.42646
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00001   1.00000   1.00000
+ 
+    5  -0.12395  -0.19705  -0.25546        0.30469  -0.40365   0.01074        0.03573  -0.99548   1.87321
+       -0.12395  -0.19705  -0.25546        0.30469  -0.40365   0.01074        0.03573  -0.99548   1.87321
+        1.00001   1.00000   1.00000        0.99999   1.00000   0.99999        0.99998   1.00000   1.00000
+ 
+    6  -0.03171   0.24550   0.02025       -0.12106   0.11063   0.12793       -1.13482  -1.23912   1.14274
+       -0.03171   0.24550   0.02025       -0.12106   0.11063   0.12793       -1.13484  -1.23910   1.14274
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00001   0.99999   1.00000
+ 
+    7  -0.06300   0.12252  -0.16888       -0.09519   0.01842  -0.10001       -0.57764  -1.50012  -0.04425
+       -0.06300   0.12252  -0.16888       -0.09519   0.01842  -0.10001       -0.57764  -1.50011  -0.04425
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   1.00002
+ 
+    8   0.04447  -0.01964   0.08546        0.01861  -0.09588   0.19427       -0.45158  -1.22104   0.26245
+        0.04447  -0.01964   0.08546        0.01861  -0.09588   0.19427       -0.45158  -1.22103   0.26245
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00000   1.00000   0.99999
+ 
+    9  -0.13345   0.13710   0.02656       -0.14940   0.11097  -0.02186       -0.48044  -0.63731  -1.29972
+       -0.13345   0.13710   0.02656       -0.14940   0.11097  -0.02186       -0.48044  -0.63730  -1.29972
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        1.00001   0.99999   1.00000
+ 
+   10   0.28352   0.44673   0.11370       -0.12360   0.06882  -0.28529       -0.28682  -1.91076  -2.82487
+        0.28352   0.44673   0.11370       -0.12360   0.06882  -0.28529       -0.28681  -1.91075  -2.82489
+        1.00000   1.00000   1.00000        0.99999   1.00000   1.00000        0.99997   0.99999   1.00001
+ 
+   11  -0.09200   0.06200  -0.23339        0.01081  -0.00036  -0.14029        1.44120  -0.61102   0.55151
+       -0.09200   0.06200  -0.23339        0.01081  -0.00036  -0.14029        1.44119  -0.61102   0.55152
+        1.00000   1.00000   1.00000        1.00000   0.99987   1.00000        0.99999   1.00000   1.00001
+ 
+   12   0.18159  -0.27359  -0.23575       -0.16155   0.53320  -0.28050        1.86208   2.50439   0.76288
+        0.18158  -0.27359  -0.23575       -0.16155   0.53320  -0.28050        1.86212   2.50434   0.76289
+        0.99999   1.00001   1.00000        1.00001   0.99999   1.00000        1.00002   0.99998   1.00001
+ 
+   13   0.09197  -0.15531   0.01700        0.24301  -0.06954  -0.02869        1.35231   1.57833   0.20318
+        0.09197  -0.15531   0.01700        0.24301  -0.06954  -0.02869        1.35230   1.57834   0.20319
+        1.00000   1.00000   0.99999        1.00000   1.00000   1.00000        0.99999   1.00001   1.00002
+ 
+   14  -0.24370   0.05931  -0.04893       -0.17215   0.21954   0.00751        0.79356   1.27951   0.24331
+       -0.24370   0.05931  -0.04893       -0.17215   0.21954   0.00751        0.79357   1.27950   0.24330
+        1.00000   1.00000   1.00001        1.00000   1.00000   1.00000        1.00001   1.00000   0.99999
+ 
+   15   0.22787  -0.11161  -0.28503        0.02031   0.01173   0.10377       -0.33116   1.16452   1.45742
+        0.22787  -0.11161  -0.28503        0.02031   0.01173   0.10377       -0.33115   1.16451   1.45743
+        1.00000   1.00000   1.00000        0.99999   1.00000   1.00000        0.99999   0.99999   1.00001
+ 
+   16  -0.05212   0.04404   0.32469       -0.03884   0.06392  -0.03571        0.52739   0.80476  -1.45677
+       -0.05212   0.04404   0.32469       -0.03884   0.06392  -0.03571        0.52739   0.80475  -1.45676
+        1.00000   1.00000   1.00000        1.00000   1.00000   0.99999        0.99999   0.99999   0.99999
+ 
+   17   0.17102  -0.31024   0.04453        0.08742   0.06773   0.04155        0.47833   2.25957  -0.84013
+        0.17102  -0.31024   0.04453        0.08742   0.06773   0.04155        0.47832   2.25959  -0.84014
+        1.00000   1.00000   1.00000        1.00000   1.00000   1.00000        0.99998   1.00001   1.00001
+ 
+ Calling CHECK_ECARTINT.
+  -2.45807230412659        1.80470453017382        1.51703832903295     
+   1.36361780614768       -1.07966110591645       -8.24037709937597     
+   1.06195249606990       -1.58561466349391       -2.75723185079093     
+  0.267851251767413      -1.710487197891989E-002  0.117000960695253     
+ dyn_ssbond_ene   -6.26042659661812     
+
+Virtual-chain energies:
+
+EVDW=     -3.549038E+01 WEIGHT=    1.000000D+00 (SC-SC)
+EVDW2=     0.000000E+00 WEIGHT=    0.000000D+00 (SC-p)
+EES=       0.000000E+00 WEIGHT=    0.000000D+00 (p-p)
+EVDWPP=    0.000000E+00 WEIGHT=    0.000000D+00 (p-p VDW)
+ESTR=      1.857123E+01 WEIGHT=    0.000000D+00 (stretching)
+EBE=       0.000000E+00 WEIGHT=    0.000000D+00 (bending)
+ESC=       5.355328E+01 WEIGHT=    0.000000D+00 (SC local)
+ETORS=     0.000000E+00 WEIGHT=    0.000000D+00 (torsional)
+ETORSD=    0.000000E+00 WEIGHT=    0.000000D+00 (double torsional)
+EHBP=      0.000000E+00 WEIGHT=    1.000000D+00 (SS bridges & dist. cnstr.)
+ECORR4=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
+ECORR5=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
+ECORR6=    0.000000E+00 WEIGHT=    0.000000D+00 (multi-body)
+EELLO=     0.000000E+00 WEIGHT=    0.000000D+00 (electrostatic-local)
+ETURN3=    0.000000E+00 WEIGHT=    0.000000D+00 (turns, 3rd order)
+ETURN4=    0.000000E+00 WEIGHT=    0.000000D+00 (turns, 4th order)
+ETURN6=    0.000000E+00 WEIGHT=    0.000000D+00 (turns, 6th order)
+EDIHC=     0.000000E+00 (dihedral angle constraints)
+ESS=      -5.500000E+00 (disulfide-bridge intrinsic energy)
+UCONST=     0.000000E+00 (Constraint energy)
+ETOT=     -3.549038E+01 (total)
+    1   0.00000   0.00000   0.00000
+    2   0.00000   0.00000   0.00000
+    3   0.00000   0.00000   0.00000
+    4   0.00000   0.00000   0.00000
+    5   0.00000   0.00000   0.00000
+    6   0.00000   0.00000   0.00000
+    7   0.00000   0.00000   0.00000
+    8   0.00000   0.00000   0.00000
+    9   0.00000   0.00000   0.00000
+   10   0.00000   0.00000   0.00000
+   11   0.00000   0.00000   0.00000
+   12   0.00000   0.00000   0.00000
+   13   0.00000   0.00000   0.00000
+   14   0.00000   0.00000   0.00000
+   15   0.00000   0.00000   0.00000
+   16   0.00000   0.00000   0.00000
+   17   0.00000   0.00000   0.00000
+   18   0.00000   0.00000   0.00000
+
+Gradient in virtual-bond and SC vectors
+
+  -5.30343170372426        3.55140758468337        3.02387793548490     
+   2.82132573903172       -2.00727955243596       -16.6814439487884     
+   2.40286020264086       -3.13168545960014       -5.52375529893659     
+  0.943363968245309       0.236692547879465       0.273101035993820     
+ dyn_ssbond_ene   -6.26042659661812     
+  -8.14879110135831        5.29811064212159        4.53071753220354     
+   4.27903367437682       -2.93489800932317       -25.1225108466377     
+   3.74376792055971       -4.67775624941980       -8.29027874790271     
+   1.61887670358087       0.490489983756797       0.429201112969347     
+ dyn_ssbond_ene   -6.26042659661811     
+  -10.9941504989924        7.04481369955981        6.03755712892219     
+   5.73674160972192       -3.86251646621038       -33.5635777444869     
+   5.08467563847856       -6.22382703923945       -11.0568021968688     
+   2.29438943891644       0.744287419634129       0.585301189944874     
+ dyn_ssbond_ene   -6.26042659661811     
+  -13.8395098966264        8.79151675699802        7.54439672564082     
+   7.19444954506702       -4.79013492309759       -42.0046446423361     
+   6.42558335639740       -7.76989782905910       -13.8233256458350     
+   2.96990217425201       0.998084855511461       0.741401266920400     
+ dyn_ssbond_ene   -6.26042659661812     
+  -16.6848692942604        10.5382198144362        9.05123632235944     
+   8.65215748041206       -5.71775337998484       -50.4457115401853     
+   7.76649107431623       -9.31596861887877       -16.5898490948010     
+   3.64541490958757        1.25188229138879       0.897501343895927     
+ dyn_ssbond_ene   -6.26042659661812     
+  -19.5302286918944        12.2849228718744        10.5580759190781     
+   10.1098654157571       -6.64537183687210       -58.8867784380344     
+   9.10739879223504       -10.8620394086984       -19.3563725437670     
+   4.32092764492314        1.50567972726613        1.05360142087145     
+ dyn_ssbond_ene   -6.26042659661812     
+  -22.3755880895285        14.0316259293126        12.0649155157967     
+   11.5675733511022       -7.57299029375931       -67.3278453358836     
+   10.4483065101539       -12.4081101985181       -22.1228959927331     
+   4.99644038025870        1.75947716314346        1.20970149784698     
+ dyn_ssbond_ene   -6.26042659661812     
+  -25.2209474871625        15.7783289867509        13.5717551125153     
+   13.0252812864473       -8.50060875064652       -75.7689122337328     
+   11.7892142280727       -13.9541809883377       -24.8894194416992     
+   5.67195311559427        2.01327459902079        1.36580157482251     
+ dyn_ssbond_ene   -6.26042659661812     
+  -28.0663068847965        17.5250320441891        15.0785947092340     
+   14.4829892217924       -9.42822720753372       -84.2099791315820     
+   13.1301219459916       -15.5002517781574       -27.6559428906653     
+   6.34746585092983        2.26707203489812        1.52190165179803     
+ dyn_ssbond_ene   -6.26042659661812     
+  -30.9116662824306        19.2717351016273        16.5854343059526     
+   15.9406971571375       -10.3558456644209       -92.6510460294312     
+   14.4710296639104       -17.0463225679770       -30.4224663396314     
+   7.02297858626539        2.52086947077546        1.67800172877356     
+ dyn_ssbond_ene   -6.26042659661812     
+  -33.7570256800646        21.0184381590655        18.0922739026712     
+   17.3984050924826       -11.2834641213081       -101.092112927280     
+   15.8119373818292       -18.5923933577967       -33.1889897885975     
+   7.69849132160096        2.77466690665279        1.83410180574909     
+ dyn_ssbond_ene   -6.26042659661812     
+  -36.6023850776987        22.7651412165037        19.5991134993899     
+   18.8561130278277       -12.2110825781953       -109.533179825130     
+   17.1528450997481       -20.1384641476163       -35.9555132375637     
+   8.37400405693652        3.02846434253012        1.99020188272462     
+ dyn_ssbond_ene   -6.26042659661812     
+  0 0.00000E+00 0.00000E+00 3.55271E-10 0.00000E+00 0.00000E+00 0.00000E+00
+    0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00 0.00000E+00
+    NaN         NaN         Infinity    NaN         NaN         NaN        
+
+  -39.4477444741125        24.5118442732620        21.1059530983195     
+   20.3138209624482       -13.1387010376579       -117.974246712272     
+   18.4937528156941       -21.6845349408380       -38.7220366924110     
+   9.04951678820268        3.28226177673496        2.14630195030494     
+ dyn_ssbond_ene   -6.26042659661812     
+  -42.2931038729668        26.2585473313802        22.6127926928271     
+   21.7715288985179       -14.0663194919697       -126.415313620828     
+   19.8346605355857       -23.2306057272556       -41.4885601354959     
+   9.72502952760766        3.53605921428480        2.30240203667570     
+ dyn_ssbond_ene   -6.26042659661811     
+  -45.1384632717238        28.0052503868079        24.1196322954100     
+   23.2292368320188       -14.9939379503697       -134.856380504220     
+   21.1755682501025       -24.7766765184746       -44.2550835741711     
+   10.4005422612707        3.78985665215476        2.45850211269799     
+ dyn_ssbond_ene   -6.26042659661811     
+  -47.9838226682349        29.7519534462566        25.6264718862644     
+   24.6869447692081       -15.9215564057441       -143.297447416526     
+   22.5164759714234       -26.3227473068949       -47.0216070334281     
+   11.0760549982788        4.04365408603946        2.61460219062675     
+ dyn_ssbond_ene   -6.26042659661812     
+  -50.8291820634569        31.4986565079154        27.1333114738536     
+   26.1446527139718       -16.8491748474703       -151.738514344459     
+   23.8573836834610       -27.8688180864237       -49.7881305132628     
+   11.7515677242192        4.29745152096356        2.77070225424066     
+ dyn_ssbond_ene   -6.26042659661812     
+  -53.6745414635029        33.2453595611330        28.6401510797017     
+   27.6023606398980       -17.7767933195187       -160.179581212224     
+   25.1982914072611       -29.4148888865343       -52.5546539313600     
+   12.4270804689500        4.55124895779412        2.92680234457787     
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+   -1.22801E+00-3.30442E-01 3.36524E-01 2.17265E+00 7.06462E-01-4.08526E-02
+    1.00006E+00 1.00009E+00 1.00006E+00 1.00003E+00 1.00004E+00 1.00060E+00
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+  -585.756748831050        359.878831282480        310.419155697241     
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+    3.07966E-02-1.83176E-01 6.10629E-01-8.89761E-01 1.20153E+00-1.16571E+00
+    9.99947E-01 1.00008E+00 1.00007E+00 1.00007E+00 1.00006E+00 1.00006E+00
+
+  -619.901061602663        380.839267971740        328.501230857865     
+   317.686239939572       -202.372866023223       -1839.95189434549     
+   292.038927292154       -337.082975947898       -603.092820459214     
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+   304.107096751046       -350.997613056948       -627.991531498884     
+   152.933729404265        57.3411156075687        35.3956183565368     
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+  -648.354655579007        398.306298546123        343.569626825052     
+   332.263319293024       -211.649050592094       -1924.36256332398     
+   305.448004451633       -352.543683851137       -630.758054949589     
+   153.609242129958        57.5949130457545        35.5517184287147     
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+  -651.200014977553        400.053001603038        345.076466421486     
+   333.721027227250       -212.576669049782       -1932.80363022268     
+   306.788912191249       -354.089754634890       -633.524578397956     
+   154.284754889855        57.8487104907568        35.7078185072057     
+ dyn_ssbond_ene   -6.26042659661812     
+ 18 0.00000E+00 0.00000E+00 0.00000E+00 3.07949E-02-1.83191E-01 6.10671E-01
+    0.00000E+00 0.00000E+00 0.00000E+00 3.07966E-02-1.83176E-01 6.10629E-01
+    NaN         NaN         NaN         9.99947E-01 1.00008E+00 1.00007E+00
+
+Processor   0 is finishing work.
+ Total time  3.515625000000000E-002  sec
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small_GB000.int b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small_GB000.int
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small_GB000.mol2 b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small_GB000.mol2
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small_GB000.pdb b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small_GB000.pdb
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small_GB000.stat b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/small_GB000.stat
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/ss.pdb b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/ss.pdb
new file mode 100644
index 0000000..072c597
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/ss.pdb
@@ -0,0 +1,56 @@
+REMARK time 4389.65                                       ENERGY     7.39026E+00
+SSBOND   1 CYS      4    CYS     13
+ATOM      1  CA  GLY     1      18.887 -10.163 -10.608          0.012
+ATOM      2  CA  ALA     2      18.562  -9.885  -6.834          0.020
+ATOM      3  CB  ALA     2      18.353  -9.134  -6.608          0.009
+ATOM      4  CA  ALA     3      16.754 -11.361  -3.915          0.008
+ATOM      5  CB  ALA     3      16.860 -12.098  -3.836          0.112
+ATOM      6  CA  ALA     4      16.762  -9.897  -0.433          0.060
+ATOM      7  CB  ALA     4      16.145  -9.572  -0.328          0.050
+ATOM      8  CA  CYS     5      15.755 -12.524   2.082          0.002
+ATOM      9  CB  CYS     5      16.051 -13.633   1.487          0.072
+ATOM     10  CA  ALA     6      15.104 -12.916   5.816          0.009
+ATOM     11  CB  ALA     6      14.965 -12.382   6.257          0.010
+ATOM     12  CA  ALA     7      12.233 -15.298   5.159          0.023
+ATOM     13  CB  ALA     7      11.752 -15.096   4.590          0.108
+ATOM     14  CA  ALA     8      12.615 -18.906   4.131          0.042
+ATOM     15  CB  ALA     8      12.996 -18.890   4.861          0.008
+ATOM     16  CA  ALA     9       9.909 -21.356   3.181          0.011
+ATOM     17  CB  ALA     9       9.333 -20.985   3.212          0.086
+ATOM     18  CA  ALA    10      10.743 -20.954  -0.478          0.081
+ATOM     19  CB  ALA    10      10.850 -20.324  -0.915          0.001
+ATOM     20  CA  ALA    11      12.566 -23.869  -1.971          0.022
+ATOM     21  CB  ALA    11      12.731 -24.062  -2.616          0.275
+ATOM     22  CA  ALA    12      15.810 -21.927  -1.726          0.004
+ATOM     23  CB  ALA    12      15.774 -21.687  -2.426          0.135
+ATOM     24  CA  ALA    13      18.582 -20.075   0.198          0.010
+ATOM     25  CB  ALA    13      19.150 -20.569   0.255          0.020
+ATOM     26  CA  CYS    14      19.577 -16.394  -0.296          0.009
+ATOM     27  CB  CYS    14      18.494 -15.682  -0.508          0.016
+ATOM     28  CA  ALA    15      22.406 -14.224   1.116          0.034
+ATOM     29  CB  ALA    15      23.137 -14.120   1.199          0.111
+ATOM     30  CA  ALA    16      22.651 -10.366   0.632          0.010
+ATOM     31  CB  ALA    16      22.481  -9.688   0.945          0.009
+ATOM     32  CA  ALA    17      25.991  -8.590   0.178          0.018
+ATOM     33  CB  ALA    17      26.589  -8.669   0.306          0.039
+ATOM     34  CA  GLY    18      26.757  -7.435  -3.316          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    9   27
+ENDMDL
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/unres_eval.csh b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/unres_eval.csh
new file mode 100755
index 0000000..65b008d
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/checkgrad2/unres_eval.csh
@@ -0,0 +1,24 @@
+#!/bin/csh
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX small
+setenv OUT1FILE NO
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN /duzo/home/czarek/UNRES/mchinchio/src/unres_REMD_intel.exe 
+#-----------------------------------------------------------------------------
+setenv DD /users/czarek/UNRES/GIT/unres/PARAM
+setenv BONDPAR $DD/bond.parm
+setenv THETPAR $DD/thetaml.5parm
+setenv ROTPAR $DD/scgauss.parm
+setenv TORPAR $DD/torsion_631Gdp.parm
+setenv TORDPAR $DD/torsion_double_631Gdp.parm
+setenv ELEPAR $DD/electr_631Gdp.parm
+setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
+setenv SCPPAR $DD/scp.parm
+setenv PATTERN $DD/patterns.cart
+setenv PRINT_PARM NO
+#-----------------------------------------------------------------------------
+
+$UNRES_BIN $*
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/libcxa.so.5 b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/libcxa.so.5
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diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small.inp b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small.inp
new file mode 100644
index 0000000..eb48058
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small.inp
@@ -0,0 +1,14 @@
+small
+SEED=-1111333 MD ONE_LETTER pdbstart UNRES_PDB 
+nstep=50000  dt=0.1 ntwe=1000  ntwx=300   lang=0 tbf tau_bath=1.0 t_bath=300   &
+reset_moment=1000 reset_vel=0 damax=5.0 eq_time=1000 MDPDB  PRINT_COMPON       &
+
+WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
+WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
+WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
+WVDWPP=0.11371 WHPB=1.00000                                                    &
+CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0 dyn_ss
+ss.pdb
+2 5 14
+0 5 14
+ 0
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small.intin b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small.intin
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small.out_GB000 b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small.out_GB000
new file mode 100644
index 0000000..68fe22a
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small.out_GB000
@@ -0,0 +1,10277 @@
+--------------------------------------------------------------------------------
+                              FILE ASSIGNMENT
+--------------------------------------------------------------------------------
+ Input file                      : small.inp
+ Output file                     : small.out_GB000
+ 
+ Sidechain potential file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-
+ 10-8k
+ SCp potential file              : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm
+ Electrostatic potential file    : 
+ /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm
+ Cumulant coefficient file       : 
+ /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ Torsional parameter file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm
+ Double torsional parameter file : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm
+ Bond & inertia constant file    : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm
+ Bending parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm
+ Rotamer parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm
+ Threading database              : 
+ /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart
+--------------------------------------------------------------------------------
+ time after openunits  1.615799999945011E-002
+ ### LAST MODIFIED  6/23/05 7:29PM by czarek
+ ++++ Compile info ++++
+ Version 2.2 build 2853
+ compiled Wed Mar 28 23:45:50 2007
+ compiled by mchinchio@matrix
+ OS name:    Linux 
+ OS release: 2.4.20-28.7smp 
+ OS version: #1 SMP Thu Dec 18 11:18:31 EST 2003 
+ flags:
+ FC = mpif90
+ UNRES_BIN = ${HOME}/UNRES/NEW/bin/unres_REMD_in...
+ OPT = -O3 -w -pc64 -tpp6 -ip
+ FFLAGS = -c ${OPT}
+ FFLAGSE = -c -O3 -w -pc64 -tpp6 -ipo -ipo_obj -...
+ CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DPGI -DS...
+ LIBS = -Lxdrf -lxdrf
+ objectCSA = unres_CSA.o arcos.o cartprint.o cha...
+ ++++ End of compile info ++++
+ ntortyp           3
+
+Potential is GB , exponents are   6 12
+
+Disulfide bridge parameters:
+S-S bridge energy:      -5.50
+d0cm:      3.78 akcm:     15.10
+akth:     11.00 akct:     12.00
+v1ss:     -1.08 v2ss:      7.61 v3ss:     13.70
+Random seed:           -1111333.            -1111333
+ MPI: node=            0  iseed(4)=            0           0         -16
+      -62756
+ ran_num  0.920179675082336     
+RMSDBC =        3.0
+RMSDBC1 =        0.5
+RMSDBC1MAX =        1.5
+DRMS    =        0.1
+RMSDBCM =        3.0
+Time limit (min):      60.0
+ RESCALE_MODE           1
+Library  routine used to diagonalize matrices.
+ 
+=========================== Parameters of the MD run ===========================
+ 
+The units are:
+positions: angstrom, time: 48.9 fs
+velocity: angstrom/(48.9 fs), acceleration: angstrom/(48.9 fs)**2
+energy: kcal/mol, temperature: K
+ 
+                                       Number of time steps:     50000
+                 Initial time step of numerical integration:   0.10000 natural units
+                                                               4.89000 fs
+ Maximum acceleration threshold to scale down the time step:   5.00000
+      Maximum predicted energy drift to reduce the timestep:  10.00000
+            Maximum velocity threshold to reduce velocities:  20.00000
+                               Frequency of property output:      1000
+                             Frequency of coordinate output:       300
+Berendsen bath calculation
+                                                Temperature: 300.00000
+                                    Coupling constant (tau):   1.00000
+Momenta will be reset at zero every      1000 steps
+
+============================== End of MD run setup =============================
+
+
+Energy-term weights (unscaled):
+
+WSCC=     1.352790 (SC-SC)
+WSCP=     1.593040 (SC-p)
+WELEC=    0.715340 (p-p electr)
+WVDWPP=   0.113710 (p-p VDW)
+WBOND=    1.000000 (stretching)
+WANG=     1.138730 (bending)
+WSCLOC=   0.162580 (SC local)
+WTOR=     1.985990 (torsional)
+WTORD=    1.570690 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  0.160360 (multi-body 3-rd order)
+WCORR4=   0.428870 (multi-body 4th order)
+WCORR5=   0.000000 (multi-body 5th order)
+WCORR6=   0.000000 (multi-body 6th order)
+WTURN3=   1.687220 (turns, 3rd order)
+WTURN4=   0.662300 (turns, 4th order)
+WTURN6=   0.000000 (turns, 6th order)
+
+Hydrogen-bonding correlation between contact pairs of peptide groups
+
+Scaling factor of 1,4 SC-p interactions:   0.400
+General scaling factor of SC-p interactions:   1.000
+
+Energy-term weights (scaled):
+
+WSCC=     1.352790 (SC-SC)
+WSCP=     1.593040 (SC-p)
+WELEC=    0.715340 (p-p electr)
+WVDWPP=   0.113710 (p-p VDW)
+WBOND=    1.000000 (stretching)
+WANG=     1.138730 (bending)
+WSCLOC=   0.162580 (SC local)
+WTOR=     1.985990 (torsional)
+WTORD=    1.570690 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  0.160360 (multi-body 3-rd order)
+WCORR4=   0.428870 (multi-body 4th order)
+WCORR5=   0.000000 (multi-body 5th order)
+WCORR6=   0.000000 (multi-body 6th order)
+WTURN3=   1.687220 (turns, 3rd order)
+WTURN4=   0.662300 (turns, 4th order)
+WTURN6=   0.000000 (turns, 6th order)
+ Reference temperature for weights calculation:   300.000000000000     
+ Parameters of the SS-bond potential:
+ D0CM   3.78000000000000       AKCM   11.1621168104436       AKTH
+   8.13134337184633       AKCT   8.87055640565054     
+ V1SS -0.798350076508549       V2SS   5.62541118725005       V3SS
+   10.1272185631177     
+ EBR  -3.50000000000000       SS_DEPTH  -3.98858404983974     
+  HT  -1.40133843152500     
+PDB data will be read from file ss.pdb                                                          
+  1 10  GLY  18.887 -10.163 -10.608
+  2  9  ALA  18.562  -9.885  -6.834
+  3  9  ALA  16.754 -11.361  -3.915
+  4  9  ALA  16.762  -9.897  -0.433
+  5  1  CYS  15.755 -12.524   2.082
+  6  9  ALA  15.104 -12.916   5.816
+  7  9  ALA  12.233 -15.298   5.159
+  8  9  ALA  12.615 -18.906   4.131
+  9  9  ALA   9.909 -21.356   3.181
+ 10  9  ALA  10.743 -20.954  -0.478
+ 11  9  ALA  12.566 -23.869  -1.971
+ 12  9  ALA  15.810 -21.927  -1.726
+ 13  9  ALA  18.582 -20.075   0.198
+ 14  1  CYS  19.577 -16.394  -0.296
+ 15  9  ALA  22.406 -14.224   1.116
+ 16  9  ALA  22.651 -10.366   0.632
+ 17  9  ALA  25.991  -8.590   0.178
+ 18 10  GLY  26.757  -7.435  -3.316
+ Nres:    18
+  1 10  GLY  18.887 -10.163 -10.608       18.887 -10.163 -10.608
+  2  9  ALA  18.562  -9.885  -6.834       18.353  -9.134  -6.608
+  3  9  ALA  16.754 -11.361  -3.915       16.860 -12.098  -3.836
+  4  9  ALA  16.762  -9.897  -0.433       16.145  -9.572  -0.328
+  5  1  CYS  15.755 -12.524   2.082       16.051 -13.633   1.487
+  6  9  ALA  15.104 -12.916   5.816       14.965 -12.382   6.257
+  7  9  ALA  12.233 -15.298   5.159       11.752 -15.096   4.590
+  8  9  ALA  12.615 -18.906   4.131       12.996 -18.890   4.861
+  9  9  ALA   9.909 -21.356   3.181        9.333 -20.985   3.212
+ 10  9  ALA  10.743 -20.954  -0.478       10.850 -20.324  -0.915
+ 11  9  ALA  12.566 -23.869  -1.971       12.731 -24.062  -2.616
+ 12  9  ALA  15.810 -21.927  -1.726       15.774 -21.687  -2.426
+ 13  9  ALA  18.582 -20.075   0.198       19.150 -20.569   0.255
+ 14  1  CYS  19.577 -16.394  -0.296       18.494 -15.682  -0.508
+ 15  9  ALA  22.406 -14.224   1.116       23.137 -14.120   1.199
+ 16  9  ALA  22.651 -10.366   0.632       22.481  -9.688   0.945
+ 17  9  ALA  25.991  -8.590   0.178       26.589  -8.669   0.306
+ 18 10  GLY  26.757  -7.435  -3.316       26.757  -7.435  -3.316
+
+Internal coordinates calculated from crystal structure.
+  Res         dvb     Theta       Phi    Dsc_id       Dsc     Alpha     Omega
+ALA   2     3.798     0.000     0.000     0.743     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.743     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.743     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.237     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.743     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.743     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.743     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.743     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.743     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.743     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.743     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.743     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.237     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.743     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.743     0.617   138.711   -49.120
+nsup= 18 nstart_sup=  1
+Contact map:
+  1  CYS  14  ALA   3
+  2  CYS  14  CYS   5
+ ITEL
+           1          10           1
+           2           9           1
+           3           9           1
+           4           9           1
+           5           1           1
+           6           9           1
+           7           9           1
+           8           9           1
+           9           9           1
+          10           9           1
+          11           9           1
+          12           9           1
+          13           9           1
+          14           1           1
+          15           9           1
+          16           9           1
+          17           9           1
+ ns=           2  iss:           5          14
+ nss=           0  ihpb,jhpb: 
+Boundaries in phi angle sampling:
+GLY    1    -180.0     180.0
+ALA    2    -180.0     180.0
+ALA    3    -180.0     180.0
+ALA    4    -180.0     180.0
+CYS    5    -180.0     180.0
+ALA    6    -180.0     180.0
+ALA    7    -180.0     180.0
+ALA    8    -180.0     180.0
+ALA    9    -180.0     180.0
+ALA   10    -180.0     180.0
+ALA   11    -180.0     180.0
+ALA   12    -180.0     180.0
+ALA   13    -180.0     180.0
+CYS   14    -180.0     180.0
+ALA   15    -180.0     180.0
+ALA   16    -180.0     180.0
+ALA   17    -180.0     180.0
+GLY   18    -180.0     180.0
+ NZ_START=           1  NZ_END=          18
+ IZ_SC=           0
+
+Geometry of the virtual chain.
+  Res           d     Theta       Phi       Dsc     Alpha      Omega
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.798     0.000     0.000     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
+GLY  18     3.759   115.636   105.386     0.000     0.000     0.000
+
+The chain contains  2 disulfide-bridging cysteines.
+   5  14
+ Running with dynamic disulfide-bond formation
+MD calculation.
+
+********************************************************************************
+
+ MODECALC          12
+ Calling hpb_partition
+ Calling chainbuild
+ Calling MD
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
+  SSBOND_E_FORM        0.00   300.0    5   14
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diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small_GB000.int b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small_GB000.int
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small_GB000.mol2 b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small_GB000.mol2
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small_GB000.pdb b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small_GB000.pdb
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small_GB000.stat b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/small_GB000.stat
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/ss.pdb b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/ss.pdb
new file mode 100644
index 0000000..072c597
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/ss.pdb
@@ -0,0 +1,56 @@
+REMARK time 4389.65                                       ENERGY     7.39026E+00
+SSBOND   1 CYS      4    CYS     13
+ATOM      1  CA  GLY     1      18.887 -10.163 -10.608          0.012
+ATOM      2  CA  ALA     2      18.562  -9.885  -6.834          0.020
+ATOM      3  CB  ALA     2      18.353  -9.134  -6.608          0.009
+ATOM      4  CA  ALA     3      16.754 -11.361  -3.915          0.008
+ATOM      5  CB  ALA     3      16.860 -12.098  -3.836          0.112
+ATOM      6  CA  ALA     4      16.762  -9.897  -0.433          0.060
+ATOM      7  CB  ALA     4      16.145  -9.572  -0.328          0.050
+ATOM      8  CA  CYS     5      15.755 -12.524   2.082          0.002
+ATOM      9  CB  CYS     5      16.051 -13.633   1.487          0.072
+ATOM     10  CA  ALA     6      15.104 -12.916   5.816          0.009
+ATOM     11  CB  ALA     6      14.965 -12.382   6.257          0.010
+ATOM     12  CA  ALA     7      12.233 -15.298   5.159          0.023
+ATOM     13  CB  ALA     7      11.752 -15.096   4.590          0.108
+ATOM     14  CA  ALA     8      12.615 -18.906   4.131          0.042
+ATOM     15  CB  ALA     8      12.996 -18.890   4.861          0.008
+ATOM     16  CA  ALA     9       9.909 -21.356   3.181          0.011
+ATOM     17  CB  ALA     9       9.333 -20.985   3.212          0.086
+ATOM     18  CA  ALA    10      10.743 -20.954  -0.478          0.081
+ATOM     19  CB  ALA    10      10.850 -20.324  -0.915          0.001
+ATOM     20  CA  ALA    11      12.566 -23.869  -1.971          0.022
+ATOM     21  CB  ALA    11      12.731 -24.062  -2.616          0.275
+ATOM     22  CA  ALA    12      15.810 -21.927  -1.726          0.004
+ATOM     23  CB  ALA    12      15.774 -21.687  -2.426          0.135
+ATOM     24  CA  ALA    13      18.582 -20.075   0.198          0.010
+ATOM     25  CB  ALA    13      19.150 -20.569   0.255          0.020
+ATOM     26  CA  CYS    14      19.577 -16.394  -0.296          0.009
+ATOM     27  CB  CYS    14      18.494 -15.682  -0.508          0.016
+ATOM     28  CA  ALA    15      22.406 -14.224   1.116          0.034
+ATOM     29  CB  ALA    15      23.137 -14.120   1.199          0.111
+ATOM     30  CA  ALA    16      22.651 -10.366   0.632          0.010
+ATOM     31  CB  ALA    16      22.481  -9.688   0.945          0.009
+ATOM     32  CA  ALA    17      25.991  -8.590   0.178          0.018
+ATOM     33  CB  ALA    17      26.589  -8.669   0.306          0.039
+ATOM     34  CA  GLY    18      26.757  -7.435  -3.316          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    9   27
+ENDMDL
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/unres_REMD_intel.exe b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/unres_REMD_intel.exe
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index 0000000000000000000000000000000000000000..a7610970a2a77021c4bff8e73864a05bda4e47f5
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HcmV?d00001

diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/unres_eval.csh b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/unres_eval.csh
new file mode 100755
index 0000000..3095e6c
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/mchinchio/unres_eval.csh
@@ -0,0 +1,24 @@
+#!/bin/csh
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX small
+setenv OUT1FILE NO
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN ./unres_REMD_intel.exe 
+#-----------------------------------------------------------------------------
+setenv DD /users/czarek/UNRES/GIT/unres/PARAM
+setenv BONDPAR $DD/bond.parm
+setenv THETPAR $DD/thetaml.5parm
+setenv ROTPAR $DD/scgauss.parm
+setenv TORPAR $DD/torsion_631Gdp.parm
+setenv TORDPAR $DD/torsion_double_631Gdp.parm
+setenv ELEPAR $DD/electr_631Gdp.parm
+setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
+setenv SCPPAR $DD/scp.parm
+setenv PATTERN $DD/patterns.cart
+setenv PRINT_PARM NO
+#-----------------------------------------------------------------------------
+
+$UNRES_BIN $*
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small.inp b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small.inp
index fa6b595..33d2744 100644
--- a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small.inp
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small.inp
@@ -1,6 +1,6 @@
 small
 SEED=-1111333 MD ONE_LETTER pdbstart UNRES_PDB 
-nstep=50000  dt=0.1 ntwe=1000  ntwx=300   lang=0 tbf tau_bath=1.0 t_bath=300   &
+nstep=500    dt=0.1 ntwe=1     ntwx=300   lang=0 tbf tau_bath=1.0 t_bath=300   &
 reset_moment=1000 reset_vel=0 damax=5.0 eq_time=1000 MDPDB  PRINT_COMPON rest  &
 
 WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small.out_GB000 b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small.out_GB000
index dd81434..46b77f8 100644
--- a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small.out_GB000
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small.out_GB000
@@ -30,8 +30,8 @@ United-residue force field calculation - parallel job.
 ********************************************************************************
  ### LAST MODIFIED  03/28/12 23:29 by czarek
  ++++ Compile info ++++
- Version 3.1 build 39
- compiled Fri Nov  9 14:19:03 2012
+ Version 3.1 build 48
+ compiled Fri Feb 15 08:22:21 2013
  compiled by czarek@piasek3
  OS name:    Linux 
  OS release: 2.6.32-42-generic 
@@ -80,13 +80,13 @@ positions: angstrom, time: 48.9 fs
 velocity: angstrom/(48.9 fs), acceleration: angstrom/(48.9 fs)**2
 energy: kcal/mol, temperature: K
  
-                                       Number of time steps:     50000
+                                       Number of time steps:       500
                  Initial time step of numerical integration:   0.10000 natural units
                                                                4.89000 fs
 Maximum acceleration threshold to reduce the time step/increase split number:   5.00000
 Maximum predicted energy drift to reduce the timestep/increase split number:  10.00000
             Maximum velocity threshold to reduce velocities:  20.00000
-                               Frequency of property output:      1000
+                               Frequency of property output:         1
                              Frequency of coordinate output:       300
 Berendsen bath calculation
                                                 Temperature: 300.00000
@@ -347,7 +347,6 @@ ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
 ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
 GLY  18     3.759   115.636   105.386     0.000   180.000   180.000
   SSBOND_E_FORM        0.00   300.0    5   14
- dyn_ssbond_ene   -4.99323973556562     
     SSBOND_FORM        0.00   300.0    5   14
  Potential energy and its components
 
@@ -381,100023 +380,19 @@ Initial:
          potential energy   4.14555E-01
              total energy   3.07572E+01
 
-    maximum acceleration    6.47995E+01
+    maximum acceleration    2.54058E+00
 
- dyn_ssbond_ene   -4.95315870161917     
- dyn_ssbond_ene   -4.99265598299829     
- dyn_ssbond_ene   -4.95246745175729     
- dyn_ssbond_ene   -4.99207060517988     
- dyn_ssbond_ene   -4.95176811721377     
- dyn_ssbond_ene   -4.99148352067809     
- dyn_ssbond_ene   -4.95108116868619     
- dyn_ssbond_ene   -4.99089492079012     
- dyn_ssbond_ene   -4.95042520174962     
- dyn_ssbond_ene   -4.99030524140129     
- dyn_ssbond_ene   -4.94981622662426     
- dyn_ssbond_ene   -4.98971512579436     
- dyn_ssbond_ene   -4.94926720070907     
- dyn_ssbond_ene   -4.98912538193065     
- dyn_ssbond_ene   -4.94878782229441     
- dyn_ssbond_ene   -4.98853693781434     
- dyn_ssbond_ene   -4.94838457604030     
- dyn_ssbond_ene   -4.98795079813353     
- dyn_ssbond_ene   -4.94806098763115     
- dyn_ssbond_ene   -4.98736800463774     
- dyn_ssbond_ene   -4.94781797259967     
- dyn_ssbond_ene   -4.98678960182856     
- dyn_ssbond_ene   -4.94765429716651     
- dyn_ssbond_ene   -4.98621660874333     
- dyn_ssbond_ene   -4.94756702454384     
- dyn_ssbond_ene   -4.98564999693420     
- dyn_ssbond_ene   -4.94755195289492     
- dyn_ssbond_ene   -4.98509067427275     
- dyn_ssbond_ene   -4.94760400588505     
- dyn_ssbond_ene   -4.98453947392048     
- dyn_ssbond_ene   -4.94771756997996     
- dyn_ssbond_ene   -4.98399714767194     
- dyn_ssbond_ene   -4.94788676220680     
- dyn_ssbond_ene   -4.98346436284749     
- dyn_ssbond_ene   -4.94810563919498     
- dyn_ssbond_ene   -4.98294170195822     
- dyn_ssbond_ene   -4.94836836883678     
- dyn_ssbond_ene   -4.98242966446191     
- dyn_ssbond_ene   -4.94866933804503     
- dyn_ssbond_ene   -4.98192867002434     
- dyn_ssbond_ene   -4.94900323198640     
- dyn_ssbond_ene   -4.98143906280799     
- dyn_ssbond_ene   -4.94936509263864     
- dyn_ssbond_ene   -4.98096111641427     
- dyn_ssbond_ene   -4.94975032892112     
- dyn_ssbond_ene   -4.98049503917685     
- dyn_ssbond_ene   -4.95015474586419     
- dyn_ssbond_ene   -4.98004097959419     
- dyn_ssbond_ene   -4.95057452742075     
- dyn_ssbond_ene   -4.97959903173234     
- dyn_ssbond_ene   -4.95100623368207     
- dyn_ssbond_ene   -4.97916924048651     
- dyn_ssbond_ene   -4.95144677951032     
- dyn_ssbond_ene   -4.97875160662086     
- dyn_ssbond_ene   -4.95189341361507     
- dyn_ssbond_ene   -4.97834609153537     
- dyn_ssbond_ene   -4.95234369550162     
- dyn_ssbond_ene   -4.97795262173033     
- dyn_ssbond_ene   -4.95279547587475     
- dyn_ssbond_ene   -4.97757109295665     
- dyn_ssbond_ene   -4.95324686643393     
- dyn_ssbond_ene   -4.97720137404642     
- dyn_ssbond_ene   -4.95369621862541     
- dyn_ssbond_ene   -4.97684331042962     
- dyn_ssbond_ene   -4.95414210344427     
- dyn_ssbond_ene   -4.97649672734890     
- dyn_ssbond_ene   -4.95458328614028     
- dyn_ssbond_ene   -4.97616143278456     
- dyn_ssbond_ene   -4.95501871072206     
- dyn_ssbond_ene   -4.97583722010848     
- dyn_ssbond_ene   -4.95544748179289     
- dyn_ssbond_ene   -4.97552387048452     
- dyn_ssbond_ene   -4.95586884356584     
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- dyn_ssbond_ene   -4.95647664757311     
- dyn_ssbond_ene   -4.97271189829275     
- dyn_ssbond_ene   -4.95665842376254     
- dyn_ssbond_ene   -4.97221349328416     
- dyn_ssbond_ene   -4.95684435512546     
- dyn_ssbond_ene   -4.97173566755276     
- dyn_ssbond_ene   -4.95703198325582     
- dyn_ssbond_ene   -4.97127792877017     
- dyn_ssbond_ene   -4.95721938753638     
- dyn_ssbond_ene   -4.97040174936113     
- dyn_ssbond_ene   -4.95695715433455     
- dyn_ssbond_ene   -4.96956465987088     
- dyn_ssbond_ene   -4.95668907778865     
- dyn_ssbond_ene   -4.96796685635433     
- dyn_ssbond_ene   -4.95551655308626     
- dyn_ssbond_ene   -4.96644042403277     
- dyn_ssbond_ene   -4.95432686759579     
- dyn_ssbond_ene   -4.96571034401788     
- dyn_ssbond_ene   -4.95402943804700     
- dyn_ssbond_ene   -4.96536181058973     
- dyn_ssbond_ene   -4.95416880982947     
- dyn_ssbond_ene   -4.96502931272578     
- dyn_ssbond_ene   -4.95429389207313     
- dyn_ssbond_ene   -4.96471200722389     
- dyn_ssbond_ene   -4.95440511418609     
- dyn_ssbond_ene   -4.96440908658575     
- dyn_ssbond_ene   -4.95450289924822     
- dyn_ssbond_ene   -4.96411977737901     
- dyn_ssbond_ene   -4.95458763807813     
- dyn_ssbond_ene   -4.96384333866922     
- dyn_ssbond_ene   -4.95465970502438     
- dyn_ssbond_ene   -4.96357906054563     
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- dyn_ssbond_ene   -4.96308429336343     
- dyn_ssbond_ene   -4.95480344890855     
- dyn_ssbond_ene   -4.96285252760368     
- dyn_ssbond_ene   -4.95482834311255     
- dyn_ssbond_ene   -4.96274165065374     
- dyn_ssbond_ene   -4.95501757435770     
- dyn_ssbond_ene   -4.96263570812697     
- dyn_ssbond_ene   -4.95519393403053     
- dyn_ssbond_ene   -4.96253443664116     
- dyn_ssbond_ene   -4.95535813690818     
- dyn_ssbond_ene   -4.96243758636840     
- dyn_ssbond_ene   -4.95551087298161     
- dyn_ssbond_ene   -4.96234492038281     
- dyn_ssbond_ene   -4.95565277712170     
- dyn_ssbond_ene   -4.96225621402605     
- dyn_ssbond_ene   -4.95578446041927     
- dyn_ssbond_ene   -4.96217125430473     
- dyn_ssbond_ene   -4.95590648787065     
- dyn_ssbond_ene   -4.96208983930687     
- dyn_ssbond_ene   -4.95601940335503     
- dyn_ssbond_ene   -4.96201177764838     
- dyn_ssbond_ene   -4.95612371122553     
- dyn_ssbond_ene   -4.96193688793883     
- dyn_ssbond_ene   -4.95621988858362     
- dyn_ssbond_ene   -4.96186499827128     
- dyn_ssbond_ene   -4.95630838730636     
- dyn_ssbond_ene   -4.96179594573577     
- dyn_ssbond_ene   -4.95638962757983     
- dyn_ssbond_ene   -4.96172957595178     
- dyn_ssbond_ene   -4.95646401415531     
- dyn_ssbond_ene   -4.96166574262651     
- dyn_ssbond_ene   -4.95653191522070     
- dyn_ssbond_ene   -4.96160430712721     
- dyn_ssbond_ene   -4.95659369084284     
- dyn_ssbond_ene   -4.96154513808021     
- dyn_ssbond_ene   -4.95664967388029     
- dyn_ssbond_ene   -4.96148811098618     
- dyn_ssbond_ene   -4.95670017328590     
- dyn_ssbond_ene   -4.96143310785186     
- dyn_ssbond_ene   -4.95674548789051     
- dyn_ssbond_ene   -4.96138001684405     
- dyn_ssbond_ene   -4.95678589321229     
- dyn_ssbond_ene   -4.96132873195798     
- dyn_ssbond_ene   -4.95682165294689     
- dyn_ssbond_ene   -4.96127915270480     
- dyn_ssbond_ene   -4.95685301182488     
- dyn_ssbond_ene   -4.96118257327787     
- dyn_ssbond_ene   -4.95676343150868     
- dyn_ssbond_ene   -4.96113550658152     
- dyn_ssbond_ene   -4.95678747907863     
- dyn_ssbond_ene   -4.96108990734797     
- dyn_ssbond_ene   -4.95680764614918     
- dyn_ssbond_ene   -4.96104569129063     
- dyn_ssbond_ene   -4.95682413832161     
- dyn_ssbond_ene   -4.96100277851252     
- dyn_ssbond_ene   -4.95683714388986     
- dyn_ssbond_ene   -4.96096109326677     
- dyn_ssbond_ene   -4.95684684503106     
- dyn_ssbond_ene   -4.96092056373237     
- dyn_ssbond_ene   -4.95685341242443     
- dyn_ssbond_ene   -4.96088112180153     
- dyn_ssbond_ene   -4.95685700174186     
- dyn_ssbond_ene   -4.96084270287616     
- dyn_ssbond_ene   -4.95685776891543     
- dyn_ssbond_ene   -4.96080524568011     
- dyn_ssbond_ene   -4.95685585212562     
- dyn_ssbond_ene   -4.96076869207740     
- dyn_ssbond_ene   -4.95685138475923     
- dyn_ssbond_ene   -4.96073298690219     
- dyn_ssbond_ene   -4.95684449398258     
- dyn_ssbond_ene   -4.96069807779898     
- dyn_ssbond_ene   -4.95683529709765     
- dyn_ssbond_ene   -4.96066391507040     
- dyn_ssbond_ene   -4.95682390617482     
- dyn_ssbond_ene   -4.96063045153441     
- dyn_ssbond_ene   -4.95681042856697     
- dyn_ssbond_ene   -4.96059764239030     
- dyn_ssbond_ene   -4.95679496106509     
- dyn_ssbond_ene   -4.96056544508996     
- dyn_ssbond_ene   -4.95677759860391     
- dyn_ssbond_ene   -4.96053381921843     
- dyn_ssbond_ene   -4.95675843053288     
- dyn_ssbond_ene   -4.96050272638085     
- dyn_ssbond_ene   -4.95673753885917     
- dyn_ssbond_ene   -4.96047213009480     
- dyn_ssbond_ene   -4.95671500482429     
- dyn_ssbond_ene   -4.96044199569052     
- dyn_ssbond_ene   -4.95669089878940     
- dyn_ssbond_ene   -4.96041229021365     
- dyn_ssbond_ene   -4.95666529720994     
- dyn_ssbond_ene   -4.96038298233836     
- dyn_ssbond_ene   -4.95663826209513     
- dyn_ssbond_ene   -4.96035404228028     
- dyn_ssbond_ene   -4.95660985994830     
- dyn_ssbond_ene   -4.96032544171816     
- dyn_ssbond_ene   -4.95658014746139     
- dyn_ssbond_ene   -4.96029715371685     
- dyn_ssbond_ene   -4.95654918420870     
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-Momenta zeroed out, time                1.28
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-Momenta zeroed out, time                1.96
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-Momenta zeroed out, time                8.49
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-Momenta zeroed out, time                9.31
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-Momenta zeroed out, time               10.24
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-Momenta zeroed out, time               10.51
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-Momenta zeroed out, time               10.73
- dyn_ssbond_ene   -4.00433253989413     
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- dyn_ssbond_ene   -4.01369434091925     
-Momenta zeroed out, time               10.87
- dyn_ssbond_ene   -3.99967216964047     
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- dyn_ssbond_ene   -3.98602297898401     
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- dyn_ssbond_ene   -3.99969093006077     
- dyn_ssbond_ene   -4.00731157669036     
-Momenta zeroed out, time               11.00
- dyn_ssbond_ene   -3.99978745776130     
- dyn_ssbond_ene   -4.00727300532820     
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-Momenta zeroed out, time               11.15
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-Momenta zeroed out, time               11.20
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-Momenta zeroed out, time               11.25
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-Momenta zeroed out, time               11.28
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-Momenta zeroed out, time               11.30
- dyn_ssbond_ene   -3.92260892203109     
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-Momenta zeroed out, time               11.39
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-Momenta zeroed out, time               11.44
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-Momenta zeroed out, time               11.47
- dyn_ssbond_ene   -3.89881029400660     
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-Momenta zeroed out, time               11.49
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-Momenta zeroed out, time               11.51
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- dyn_ssbond_ene   -3.91024863874153     
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- dyn_ssbond_ene   -3.91019338112457     
- dyn_ssbond_ene   -3.88878355640030     
- dyn_ssbond_ene   -3.91019160481846     
- dyn_ssbond_ene   -3.88878532731512     
- dyn_ssbond_ene   -3.91018982890083     
- dyn_ssbond_ene   -3.88878709840459     
- dyn_ssbond_ene   -3.91018805337179     
- dyn_ssbond_ene   -3.88878887677826     
- dyn_ssbond_ene   -3.91018627823144     
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- dyn_ssbond_ene   -3.88879244068268     
- dyn_ssbond_ene   -3.91018272911717     
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- dyn_ssbond_ene   -3.91017563555720     
- dyn_ssbond_ene   -3.88880141527316     
- dyn_ssbond_ene   -3.91017386314040     
-Momenta zeroed out, time               11.54
- dyn_ssbond_ene   -3.88885121562570     
- dyn_ssbond_ene   -3.91017209638974     
- dyn_ssbond_ene   -3.88884827534274     
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- dyn_ssbond_ene   -3.88661493167842     
- dyn_ssbond_ene   -3.90778857049029     
-Momenta zeroed out, time               11.56
- dyn_ssbond_ene   -3.88663871259273     
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- dyn_ssbond_ene   -3.90607613664980     
-Momenta zeroed out, time               11.57
- dyn_ssbond_ene   -3.88700079570610     
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-Momenta zeroed out, time               11.59
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-Momenta zeroed out, time               11.60
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- dyn_ssbond_ene   -3.90031931728743     
- dyn_ssbond_ene   -3.88139882434950     
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- dyn_ssbond_ene   -3.90031626414119     
- dyn_ssbond_ene   -3.88139845016452     
- dyn_ssbond_ene   -3.90031473790011     
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- dyn_ssbond_ene   -3.90028730360428     
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- dyn_ssbond_ene   -3.90022357449746     
- dyn_ssbond_ene   -3.88139482452634     
- dyn_ssbond_ene   -3.90022206205368     
-Momenta zeroed out, time               11.62
- dyn_ssbond_ene   -3.88142948730002     
- dyn_ssbond_ene   -3.90022055358706     
- dyn_ssbond_ene   -3.88142614722452     
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-Momenta zeroed out, time               11.63
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-Momenta zeroed out, time               11.65
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- dyn_ssbond_ene   -3.87291202648812     
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-Momenta zeroed out, time               11.74
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- dyn_ssbond_ene   -3.87301812683433     
- dyn_ssbond_ene   -3.88697755749369     
-Momenta zeroed out, time               11.75
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-Momenta zeroed out, time               11.77
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-Momenta zeroed out, time               11.78
- dyn_ssbond_ene   -3.87082116957510     
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-Momenta zeroed out, time               11.80
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-Momenta zeroed out, time               11.81
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- dyn_ssbond_ene   -3.88145176303729     
- dyn_ssbond_ene   -3.86936334177965     
- dyn_ssbond_ene   -3.88145088444584     
- dyn_ssbond_ene   -3.86936473532067     
- dyn_ssbond_ene   -3.88145000594147     
- dyn_ssbond_ene   -3.86936613098912     
- dyn_ssbond_ene   -3.88144912752417     
- dyn_ssbond_ene   -3.86936752421201     
- dyn_ssbond_ene   -3.88144824919397     
- dyn_ssbond_ene   -3.86936891950932     
- dyn_ssbond_ene   -3.88144737095083     
- dyn_ssbond_ene   -3.86937031891009     
- dyn_ssbond_ene   -3.88144649279481     
- dyn_ssbond_ene   -3.86937171849642     
- dyn_ssbond_ene   -3.88144561472592     
- dyn_ssbond_ene   -3.86937311661999     
- dyn_ssbond_ene   -3.88144473674416     
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- dyn_ssbond_ene   -3.86937592463128     
- dyn_ssbond_ene   -3.88144298104204     
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- dyn_ssbond_ene   -3.88144034814260     
- dyn_ssbond_ene   -3.86938155466804     
- dyn_ssbond_ene   -3.88143947068382     
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- dyn_ssbond_ene   -3.86938438015202     
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- dyn_ssbond_ene   -3.86938579427968     
- dyn_ssbond_ene   -3.88143683883070     
- dyn_ssbond_ene   -3.86938720695678     
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- dyn_ssbond_ene   -3.86938862634539     
- dyn_ssbond_ene   -3.88143508469809     
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- dyn_ssbond_ene   -3.86939288523412     
- dyn_ssbond_ene   -3.88143245415357     
- dyn_ssbond_ene   -3.86939430827794     
- dyn_ssbond_ene   -3.88143157747994     
- dyn_ssbond_ene   -3.86939573338280     
- dyn_ssbond_ene   -3.88143070089362     
- dyn_ssbond_ene   -3.86939715686133     
- dyn_ssbond_ene   -3.88142982439455     
- dyn_ssbond_ene   -3.86939858352689     
- dyn_ssbond_ene   -3.88142894798281     
- dyn_ssbond_ene   -3.86940001250943     
- dyn_ssbond_ene   -3.88142807165838     
- dyn_ssbond_ene   -3.86940144140588     
- dyn_ssbond_ene   -3.88142719542127     
- dyn_ssbond_ene   -3.86940287321567     
- dyn_ssbond_ene   -3.88142631927151     
- dyn_ssbond_ene   -3.86940430543731     
- dyn_ssbond_ene   -3.88142544320907     
- dyn_ssbond_ene   -3.86940574117149     
- dyn_ssbond_ene   -3.88142456723398     
- dyn_ssbond_ene   -3.86940717703677     
- dyn_ssbond_ene   -3.88142369134626     
- dyn_ssbond_ene   -3.86940861329824     
- dyn_ssbond_ene   -3.88142281554589     
- dyn_ssbond_ene   -3.86941004990761     
- dyn_ssbond_ene   -3.88142193983292     
- dyn_ssbond_ene   -3.86941148946495     
- dyn_ssbond_ene   -3.88142106420731     
- dyn_ssbond_ene   -3.86941293193919     
- dyn_ssbond_ene   -3.88142018866911     
- dyn_ssbond_ene   -3.86941437471609     
- dyn_ssbond_ene   -3.88141931321831     
- dyn_ssbond_ene   -3.86941581791812     
- dyn_ssbond_ene   -3.88141843785490     
- dyn_ssbond_ene   -3.86941726124593     
- dyn_ssbond_ene   -3.88141756257893     
- dyn_ssbond_ene   -3.86941871196006     
- dyn_ssbond_ene   -3.88141668739036     
- dyn_ssbond_ene   -3.86942015811145     
- dyn_ssbond_ene   -3.88141581228924     
- dyn_ssbond_ene   -3.86942160838129     
- dyn_ssbond_ene   -3.88141493727554     
- dyn_ssbond_ene   -3.86942305877400     
- dyn_ssbond_ene   -3.88141406234933     
- dyn_ssbond_ene   -3.86942450928909     
- dyn_ssbond_ene   -3.88141318751053     
- dyn_ssbond_ene   -3.86942596319122     
- dyn_ssbond_ene   -3.88141231275923     
- dyn_ssbond_ene   -3.86942741572451     
- dyn_ssbond_ene   -3.88141143809537     
- dyn_ssbond_ene   -3.86942887470236     
- dyn_ssbond_ene   -3.88141056351900     
- dyn_ssbond_ene   -3.86943033222698     
- dyn_ssbond_ene   -3.88140968903012     
- dyn_ssbond_ene   -3.86943179186542     
- dyn_ssbond_ene   -3.88140881462875     
- dyn_ssbond_ene   -3.86943325336753     
- dyn_ssbond_ene   -3.88140794031485     
- dyn_ssbond_ene   -3.86943471461009     
- dyn_ssbond_ene   -3.88140706608844     
- dyn_ssbond_ene   -3.86943617891998     
- dyn_ssbond_ene   -3.88140619194958     
- dyn_ssbond_ene   -3.86943764478351     
- dyn_ssbond_ene   -3.88140531789823     
- dyn_ssbond_ene   -3.86943911012306     
- dyn_ssbond_ene   -3.88140444393441     
- dyn_ssbond_ene   -3.86944057703104     
- dyn_ssbond_ene   -3.88140357005812     
- dyn_ssbond_ene   -3.86944204702455     
- dyn_ssbond_ene   -3.88140269626938     
- dyn_ssbond_ene   -3.86944351679622     
- dyn_ssbond_ene   -3.88140182256818     
- dyn_ssbond_ene   -3.86944498650422     
- dyn_ssbond_ene   -3.88140094895454     
- dyn_ssbond_ene   -3.86944646233292     
- dyn_ssbond_ene   -3.88140007542846     
- dyn_ssbond_ene   -3.86944793383170     
- dyn_ssbond_ene   -3.88139920198994     
- dyn_ssbond_ene   -3.86944941257965     
- dyn_ssbond_ene   -3.88139832863899     
- dyn_ssbond_ene   -3.86945088817185     
- dyn_ssbond_ene   -3.88139745537564     
- dyn_ssbond_ene   -3.86945236761997     
- dyn_ssbond_ene   -3.88139658219989     
- dyn_ssbond_ene   -3.86945384621501     
- dyn_ssbond_ene   -3.88139570911169     
- dyn_ssbond_ene   -3.86945532746452     
- dyn_ssbond_ene   -3.88139483611110     
- dyn_ssbond_ene   -3.86945681207236     
- dyn_ssbond_ene   -3.88139396319812     
- dyn_ssbond_ene   -3.86945829398085     
- dyn_ssbond_ene   -3.88139309037274     
- dyn_ssbond_ene   -3.86945978087296     
- dyn_ssbond_ene   -3.88139221763500     
- dyn_ssbond_ene   -3.86946126505877     
- dyn_ssbond_ene   -3.88139134498487     
- dyn_ssbond_ene   -3.86946275580147     
- dyn_ssbond_ene   -3.88139047242238     
- dyn_ssbond_ene   -3.86946424620607     
- dyn_ssbond_ene   -3.88138959994751     
- dyn_ssbond_ene   -3.86946573526994     
- dyn_ssbond_ene   -3.88138872756025     
- dyn_ssbond_ene   -3.86946722686679     
- dyn_ssbond_ene   -3.88138785526066     
- dyn_ssbond_ene   -3.86946872032081     
- dyn_ssbond_ene   -3.88138698304872     
- dyn_ssbond_ene   -3.86947021369400     
- dyn_ssbond_ene   -3.88138611092446     
- dyn_ssbond_ene   -3.86947171023933     
- dyn_ssbond_ene   -3.88138523888783     
- dyn_ssbond_ene   -3.86947320868916     
- dyn_ssbond_ene   -3.88138436693884     
- dyn_ssbond_ene   -3.86947568834184     
- dyn_ssbond_ene   -3.88138349507758     
- dyn_ssbond_ene   -3.86947870157183     
- dyn_ssbond_ene   -3.88138262330405     
- dyn_ssbond_ene   -3.86948171810001     
- dyn_ssbond_ene   -3.88138175161829     
- dyn_ssbond_ene   -3.86948473794119     
- dyn_ssbond_ene   -3.88138088002033     
- dyn_ssbond_ene   -3.86948776172306     
- dyn_ssbond_ene   -3.88138000851023     
- dyn_ssbond_ene   -3.86949078423462     
- dyn_ssbond_ene   -3.88137913708796     
- dyn_ssbond_ene   -3.86949381381415     
- dyn_ssbond_ene   -3.88137826575358     
- dyn_ssbond_ene   -3.86949684337674     
- dyn_ssbond_ene   -3.88137739450711     
- dyn_ssbond_ene   -3.86949987619140     
- dyn_ssbond_ene   -3.88137652334851     
- dyn_ssbond_ene   -3.86950291223638     
- dyn_ssbond_ene   -3.88137565227785     
- dyn_ssbond_ene   -3.86950595169296     
- dyn_ssbond_ene   -3.88137478129512     
- dyn_ssbond_ene   -3.86950899144549     
- dyn_ssbond_ene   -3.88137391040030     
- dyn_ssbond_ene   -3.86951203315896     
- dyn_ssbond_ene   -3.88137303959345     
- dyn_ssbond_ene   -3.86951508096003     
- dyn_ssbond_ene   -3.88137216887450     
- dyn_ssbond_ene   -3.86951813103376     
- dyn_ssbond_ene   -3.88137129824349     
- dyn_ssbond_ene   -3.86952118052703     
- dyn_ssbond_ene   -3.88137042770040     
- dyn_ssbond_ene   -3.86952423206354     
- dyn_ssbond_ene   -3.88136955724527     
- dyn_ssbond_ene   -3.86952729075234     
- dyn_ssbond_ene   -3.88136868687807     
- dyn_ssbond_ene   -3.86953034638638     
- dyn_ssbond_ene   -3.88136781659874     
- dyn_ssbond_ene   -3.86953340810745     
- dyn_ssbond_ene   -3.88136694640736     
- dyn_ssbond_ene   -3.86953647221241     
- dyn_ssbond_ene   -3.88136607630388     
- dyn_ssbond_ene   -3.86953953862361     
- dyn_ssbond_ene   -3.88136520628832     
- dyn_ssbond_ene   -3.86954260450873     
- dyn_ssbond_ene   -3.88136433636061     
- dyn_ssbond_ene   -3.86954567258187     
- dyn_ssbond_ene   -3.88136346652082     
- dyn_ssbond_ene   -3.86954874977198     
- dyn_ssbond_ene   -3.88136259676885     
- dyn_ssbond_ene   -3.86955182228910     
- dyn_ssbond_ene   -3.88136172710477     
- dyn_ssbond_ene   -3.86955490189720     
- dyn_ssbond_ene   -3.88136085752852     
- dyn_ssbond_ene   -3.86955798072861     
- dyn_ssbond_ene   -3.88135998804013     
- dyn_ssbond_ene   -3.86956106294469     
- dyn_ssbond_ene   -3.88135911863955     
- dyn_ssbond_ene   -3.86956414860005     
- dyn_ssbond_ene   -3.88135824932675     
- dyn_ssbond_ene   -3.86956723335611     
- dyn_ssbond_ene   -3.88135738010178     
- dyn_ssbond_ene   -3.86957032362677     
- dyn_ssbond_ene   -3.88135651096457     
- dyn_ssbond_ene   -3.86957341694585     
- dyn_ssbond_ene   -3.88135564191513     
- dyn_ssbond_ene   -3.86957651256335     
- dyn_ssbond_ene   -3.88135477295345     
- dyn_ssbond_ene   -3.86957960568656     
- dyn_ssbond_ene   -3.88135390407949     
- dyn_ssbond_ene   -3.86958270563004     
- dyn_ssbond_ene   -3.88135303529327     
- dyn_ssbond_ene   -3.86958580614451     
- dyn_ssbond_ene   -3.88135216659475     
- dyn_ssbond_ene   -3.86958890954908     
- dyn_ssbond_ene   -3.88135129798392     
- dyn_ssbond_ene   -3.86959201354005     
- dyn_ssbond_ene   -3.88135042946076     
- dyn_ssbond_ene   -3.86959512115330     
- dyn_ssbond_ene   -3.88134956102528     
- dyn_ssbond_ene   -3.86959823235000     
- dyn_ssbond_ene   -3.88134869267742     
- dyn_ssbond_ene   -3.86960134720970     
- dyn_ssbond_ene   -3.88134782441719     
- dyn_ssbond_ene   -3.86960446103053     
- dyn_ssbond_ene   -3.88134695624459     
- dyn_ssbond_ene   -3.86960757805247     
- dyn_ssbond_ene   -3.88134608815957     
- dyn_ssbond_ene   -3.86961069711119     
- dyn_ssbond_ene   -3.88134522016211     
- dyn_ssbond_ene   -3.86961381674856     
- dyn_ssbond_ene   -3.88134435225223     
- dyn_ssbond_ene   -3.86961694335840     
- dyn_ssbond_ene   -3.88134348442990     
- dyn_ssbond_ene   -3.86962007041019     
- dyn_ssbond_ene   -3.88134261669508     
- dyn_ssbond_ene   -3.86962319793931     
- dyn_ssbond_ene   -3.88134174904778     
-Momenta zeroed out, time               11.83
- dyn_ssbond_ene   -3.86964366602268     
- dyn_ssbond_ene   -3.88134088351082     
 
 
 ===================================  Timing  ===================================
 
-                  MD calculations setup:    8.20312E-02
-           Energy & gradient evaluation:    1.86797E+01
+                  MD calculations setup:    7.81250E-03
+           Energy & gradient evaluation:    1.28906E-01
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    2.26250E+01
+                               MD steps:    1.28906E+00
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   23.0625000000000       sec
+ Total wall clock time   1.31640625000000       sec
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_000.rst b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_000.rst
index 596d018..347aa5e 100644
--- a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_000.rst
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_000.rst
@@ -1,74 +1,74 @@
-   11.8270019531456        30.4015087844826        5511.31776011291     
-   5541.71926889740        300.000000000000     
-    0.73141E-02    0.92629E-02    0.69284E-03
-    0.77219E-02    0.23229E-01   -0.33471E-01
-    0.82512E-01   -0.12954E+00   -0.21504E-01
-    0.24439E-01    0.90065E-01    0.17105E+00
-   -0.15243E+00    0.40560E+00   -0.33468E+00
-   -0.31189E-01   -0.29466E+00   -0.11994E+00
-    0.10455E+00   -0.17942E+00    0.19620E+00
-   -0.12935E+00   -0.19820E+00    0.23861E+00
-    0.16278E+00    0.33545E+00   -0.13739E+00
-   -0.68664E-01   -0.20483E-01    0.28460E-01
-    0.15333E-01   -0.28260E-01   -0.29632E-01
-    0.91608E-02    0.61648E-02    0.51511E-01
-   -0.43201E-01    0.18959E-02   -0.75725E-02
-    0.30060E-01   -0.10022E-01    0.22705E-02
-   -0.12303E-01   -0.78191E-02    0.11815E-02
-    0.17805E-01    0.67491E-02    0.17190E-01
-   -0.90821E-03    0.10155E-01   -0.14972E-01
+   48.2390625000004        29.8629839885316       -26.2581059404070     
+   3.60487804812461        300.000000000000     
+   -0.99820E-01   -0.17844E+00    0.53218E+00
+   -0.70157E-01   -0.11229E+00   -0.23911E+00
+   -0.17984E-01   -0.83896E-01    0.13777E+00
+    0.10569E+00    0.18921E+00    0.49138E-01
+   -0.82964E-01   -0.23141E-01   -0.10683E+00
+    0.21740E-01   -0.18555E-01   -0.25108E+00
+    0.97923E-02   -0.29630E-02    0.82552E-01
+    0.36245E-02   -0.16545E+00    0.19536E+00
+    0.12596E+00    0.25788E+00    0.73502E-01
+   -0.30322E+00   -0.21810E+00   -0.27580E+00
+    0.16294E+00   -0.94140E-01   -0.15829E+00
+    0.14494E-01    0.32765E+00    0.39242E+00
+    0.14775E+00   -0.15579E+00   -0.73813E-01
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+   -0.15051E+00   -0.24619E+00    0.86290E-01
+    0.16028E+00    0.89831E-01    0.24108E+00
+   -0.72764E-01    0.30935E+00   -0.42944E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
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-   -0.12027E+00   -0.52118E-03   -0.14464E+00
-    0.91207E-01   -0.20624E+00    0.21506E+00
-   -0.80098E-01   -0.37737E+00    0.12013E+01
-    0.38616E-01    0.22682E+00    0.18598E+00
-    0.47464E-01    0.18588E+00   -0.12174E+00
-   -0.72047E-01   -0.55899E-01    0.28654E-01
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-   -0.94948E-02    0.20207E-01    0.11708E-01
-   -0.12979E-01    0.86781E-02   -0.19764E-02
+   -0.79141E-01   -0.24999E+00   -0.11841E+00
+    0.10531E+00    0.20318E+00    0.11019E+00
+    0.18831E+00   -0.27792E-01   -0.24970E+00
+   -0.47637E-01    0.45643E-01   -0.62153E-01
+    0.89609E-01   -0.66036E-01    0.52138E-01
+    0.16153E+00    0.86445E-01    0.29346E+00
+   -0.14749E-01   -0.14930E+00   -0.65486E-01
+   -0.19136E+00    0.80736E-01    0.47339E-01
+    0.27006E+00   -0.13058E+00   -0.23926E-01
+    0.85342E-03    0.14231E+00    0.11113E+00
+   -0.37060E-01    0.64817E-01    0.33013E+00
+    0.71272E-01    0.50669E-01   -0.75937E-01
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+   -0.33807E+00   -0.96251E-01    0.14524E+00
+   -0.63129E-01   -0.10230E-01   -0.10942E+00
     0.00000E+00    0.00000E+00    0.00000E+00
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-    0.28924E+01   -0.23961E+01   -0.57040E+00
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-   -0.77937E+00    0.36942E+01   -0.41687E+00
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-   -0.34162E+01    0.14678E+01    0.79430E+00
+    0.29297E+01   -0.23094E+01   -0.79490E+00
+    0.10931E+01   -0.35268E+01    0.10215E+01
+    0.35787E+01   -0.11704E+01   -0.24058E+00
+    0.17028E+01   -0.33403E+01   -0.50825E+00
+    0.35210E+01   -0.75856E+00   -0.12874E+01
+   -0.17766E+00   -0.34803E+01    0.14977E+01
+   -0.29382E+01   -0.10369E+01   -0.21418E+01
+    0.23432E+01   -0.11782E+01   -0.27257E+01
+   -0.23675E+01   -0.28349E+01   -0.68516E+00
+   -0.21193E+01    0.17125E+01   -0.26598E+01
+   -0.11967E+01    0.29678E+01    0.21153E+01
+    0.23724E+01    0.29312E+01   -0.73917E+00
+   -0.20919E+01    0.29469E+01    0.12292E+01
+    0.15783E+01    0.34977E+01   -0.22963E+00
+   -0.19898E+01    0.32149E+01    0.29055E+00
+    0.74124E+00    0.27060E+01   -0.25200E+01
+   -0.20919E+01    0.28103E+01    0.15453E+01
     0.26757E+02   -0.74350E+01   -0.33160E+01
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.94794E-01    0.46577E+00    0.56914E+00
-    0.15515E+00   -0.52639E+00   -0.50564E+00
-    0.10891E+00    0.39661E+00    0.64574E+00
-   -0.33882E+00   -0.41362E+00   -0.11188E+01
-    0.67788E+00    0.91450E-01    0.31202E-01
-    0.49145E-01    0.48083E-01   -0.54369E+01
-    0.28483E+00   -0.24719E+00   -0.50471E+00
-    0.40211E+00   -0.42902E+00    0.39627E+00
-   -0.59246E-01    0.70084E+00    0.17066E+00
-   -0.34716E+00   -0.60391E+00   -0.23712E+00
-   -0.34928E+00    0.44600E+00    0.48444E+00
-    0.58471E-01    0.20992E-01   -0.74000E+00
-    0.38057E+00    0.53022E-03    0.11810E+01
-   -0.16930E+00    0.19262E+00   -0.69602E+00
-    0.35103E+00   -0.19740E+00    0.62369E+00
-    0.24070E+00    0.20518E+00   -0.67111E+00
+    0.50830E+00    0.36349E+00   -0.46478E+00
+   -0.58724E-01   -0.65070E+00   -0.33822E+00
+    0.24921E+00    0.27655E+00    0.62662E+00
+   -0.70864E+00   -0.40373E+00   -0.93843E+00
+    0.64801E+00    0.34671E+00    0.16002E+00
+   -0.45622E-01   -0.74393E-01    0.71859E+00
+   -0.21119E+00    0.56302E+00   -0.45003E+00
+    0.62679E+00    0.17649E+00   -0.13783E+00
+   -0.20958E+00   -0.22664E+00    0.65182E+00
+   -0.41619E+00   -0.22334E+00   -0.58108E+00
+   -0.14853E+00   -0.25651E-01    0.66771E+00
+    0.19222E+00    0.36547E+00   -0.69790E+00
+    0.27961E+00   -0.59384E+00    0.10776E+01
+    0.43369E+00    0.76355E-01   -0.55207E+00
+   -0.17823E+00    0.39976E+00    0.64108E+00
+   -0.14439E+00   -0.52158E-01   -0.70855E+00
     0.00000E+00    0.00000E+00    0.00000E+00
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_GB000.stat b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_GB000.stat
index 285bb5f..4e089c3 100644
--- a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_GB000.stat
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_GB000.stat
@@ -1,51 +1,502 @@
-         0           0.00      30.343       0.415      30.757      64.799     299.574     300.000       8.016    0      -34.223      12.846     -10.453     -16.349      53.553       8.667      -0.663      -8.169       0.000       0.000      10.993       4.828       7.196       0.000       0.000       0.000       0.000      18.571     -20.048       0.000
-      1000           1.28      30.480     155.114     185.593       0.000     300.925     300.000       8.023    0      -23.361      12.622     -11.014     -16.114      81.154       8.504      -0.397      -8.529       0.000       0.000      11.136       4.602       7.268       0.000       0.000       0.000       0.000     154.994     -20.395       0.000
-      2000           1.96      30.428      54.393      84.821       0.000     300.421     300.000       8.002    0      -27.331      12.927     -11.185     -13.709      62.636       8.451      -0.479      -8.773       0.000       0.000      11.344       4.654       7.393       0.000       0.000       0.000       0.000      59.721     -20.709       0.000
-      3000           2.30      30.403      17.192      47.594       0.000     300.165     300.000       7.993    0      -33.207      13.375     -11.359     -12.833      52.704       8.473      -0.496      -8.888       0.000       0.000      11.663       4.584       7.548       0.000       0.000       0.000       0.000      30.514     -20.902       0.000
-      4000           4.02      30.390      -6.882      23.508       0.000     300.040     300.000       7.942    0      -36.745      16.974     -12.835     -12.123      33.869       8.397      -0.938      -9.551       0.000       0.000      13.404       3.932       8.429       0.000       0.000       0.000       0.000      10.246     -21.561       0.000
-      5000           4.80      30.423       5.531      35.954       0.000     300.370     300.000       7.919    0      -37.532      17.411     -13.555     -11.492      43.250       8.456      -1.004      -9.864       0.000       0.000      13.820       3.676       8.795       0.000       0.000       0.000       0.000      21.553     -21.666       0.000
-      6000           8.50      75.530    5374.358    5449.888       0.015     745.710     300.000       7.892    0      113.503      14.383     -16.106      -8.847     131.226       7.892       0.069     -10.094       0.000       0.000      13.729       3.440       8.222       0.000       0.000       0.000       0.000    5175.489     -19.653       0.000
-      7000           9.31      30.828   10221.320   10252.148       0.002     304.366     300.000       7.906    0      -29.996      14.571     -15.237      -9.357     148.752       8.037       0.220      -9.764       0.000       0.000      13.101       3.367       7.843       0.000       0.000       0.000       0.000   10213.280     -20.389       0.000
-      8000          10.24      30.704    7111.195    7141.899       0.000     303.142     300.000       7.877    0      -35.344      16.996     -14.313     -10.187     128.170       8.063       0.049      -9.949       0.000       0.000      13.120       3.966       8.394       0.000       0.000       0.000       0.000    7109.210     -21.592       0.000
-      9000          10.51      30.406    6489.077    6519.482       0.000     300.196     300.000       7.875    0      -32.195      16.654     -14.258     -10.461     120.821       7.941      -0.172      -9.955       0.000       0.000      13.430       3.770       8.615       0.000       0.000       0.000       0.000    6485.601     -21.841       0.000
-     10000          10.73      30.360    6434.254    6464.614       0.000     299.742     300.000       7.876    0      -32.286      16.313     -14.321     -10.975     116.697       7.928      -0.357      -9.962       0.000       0.000      13.670       3.581       8.768       0.000       0.000       0.000       0.000    6433.255     -21.943       0.000
-     11000          10.87      30.378    6540.076    6570.454       0.000     299.920     300.000       7.875    0      -34.297      16.318     -14.418     -10.933     116.824       7.970      -0.427      -9.982       0.000       0.000      13.736       3.545       8.835       0.000       0.000       0.000       0.000    6541.829     -21.925       0.000
-     12000          11.00      30.478    6669.691    6700.169       0.009     300.906     300.000       7.874    0      -35.833      16.450     -14.512     -10.765     117.434       8.023      -0.452     -10.005       0.000       0.000      13.736       3.589       8.877       0.000       0.000       0.000       0.000    6672.923     -21.858       0.000
-     13000          11.10      30.506    6766.713    6797.220       0.005     301.191     300.000       7.873    0      -36.359      16.592     -14.561     -10.696     117.456       8.066      -0.452     -10.019       0.000       0.000      13.712       3.658       8.900       0.000       0.000       0.000       0.000    6770.168     -21.793       0.000
-     14000          11.15      30.401    6801.745    6832.146       0.000     300.154     300.000       7.873    0      -36.413      16.675     -14.571     -10.701     117.180       8.084      -0.448     -10.022       0.000       0.000      13.698       3.697       8.911       0.000       0.000       0.000       0.000    6805.083     -21.765       0.000
-     15000          11.20      30.397    6809.225    6839.622       0.000     300.113     300.000       7.873    0      -36.364      16.776     -14.569     -10.746     116.704       8.100      -0.445     -10.024       0.000       0.000      13.685       3.737       8.925       0.000       0.000       0.000       0.000    6812.348     -21.743       0.000
-     16000          11.25      30.391    6788.527    6818.918       0.000     300.052     300.000       7.873    0      -36.269      16.885     -14.556     -10.842     116.110       8.111      -0.443     -10.022       0.000       0.000      13.678       3.771       8.940       0.000       0.000       0.000       0.000    6791.453     -21.732       0.000
-     17000          11.28      30.401    6760.284    6790.685       0.000     300.149     300.000       7.872    0      -36.202      16.965     -14.541     -10.949     115.656       8.116      -0.443     -10.020       0.000       0.000      13.676       3.790       8.951       0.000       0.000       0.000       0.000    6763.129     -21.730       0.000
-     18000          11.30      30.403    6729.797    6760.200       0.000     300.167     300.000       7.872    0      -36.155      17.031     -14.526     -11.066     115.265       8.119      -0.444     -10.017       0.000       0.000      13.676       3.803       8.961       0.000       0.000       0.000       0.000    6732.624     -21.733       0.000
-     19000          11.33      30.403    6696.892    6727.295       0.000     300.170     300.000       7.872    0      -36.119      17.093     -14.509     -11.196     114.887       8.120      -0.446     -10.014       0.000       0.000      13.677       3.813       8.971       0.000       0.000       0.000       0.000    6699.747     -21.739       0.000
-     20000          11.35      30.402    6660.715    6691.117       0.000     300.158     300.000       7.872    0      -36.096      17.153     -14.491     -11.334     114.517       8.119      -0.448     -10.011       0.000       0.000      13.680       3.820       8.981       0.000       0.000       0.000       0.000    6663.632     -21.747       0.000
-     21000          11.37      30.399    6620.155    6650.555       0.000     300.134     300.000       7.872    0      -36.084      17.212     -14.473     -11.475     114.161       8.118      -0.451     -10.007       0.000       0.000      13.685       3.826       8.991       0.000       0.000       0.000       0.000    6623.158     -21.757       0.000
-     22000          11.39      30.396    6576.158    6606.555       0.000     300.102     300.000       7.872    0      -36.083      17.270     -14.453     -11.614     113.823       8.116      -0.454     -10.004       0.000       0.000      13.690       3.830       9.001       0.000       0.000       0.000       0.000    6579.260     -21.768       0.000
-     23000          11.40      30.408    6548.942    6579.350       0.000     300.216     300.000       7.872    0      -36.088      17.304     -14.440     -11.697     113.602       8.114      -0.457     -10.001       0.000       0.000      13.694       3.832       9.007       0.000       0.000       0.000       0.000    6552.117     -21.776       0.000
-     24000          11.42      30.407    6504.940    6535.347       0.000     300.211     300.000       7.872    0      -36.105      17.355     -14.418     -11.820     113.245       8.110      -0.461      -9.996       0.000       0.000      13.701       3.833       9.016       0.000       0.000       0.000       0.000    6508.245     -21.792       0.000
-     25000          11.44      30.405    6458.121    6488.526       0.000     300.186     300.000       7.872    0      -36.132      17.405     -14.396     -11.930     112.902       8.106      -0.466      -9.992       0.000       0.000      13.710       3.832       9.026       0.000       0.000       0.000       0.000    6461.557     -21.808       0.000
-     26000          11.46      30.400    6408.388    6438.789       0.000     300.142     300.000       7.872    0      -36.165      17.453     -14.374     -12.025     112.587       8.101      -0.471      -9.987       0.000       0.000      13.719       3.831       9.036       0.000       0.000       0.000       0.000    6411.945     -21.825       0.000
-     27000          11.47      30.408    6376.328    6406.737       0.000     300.223     300.000       7.872    0      -36.191      17.483     -14.358     -12.079     112.370       8.098      -0.474      -9.984       0.000       0.000      13.726       3.829       9.043       0.000       0.000       0.000       0.000    6379.971     -21.837       0.000
-     28000          11.49      30.407    6328.358    6358.765       0.000     300.211     300.000       7.872    0      -36.241      17.522     -14.334     -12.148     112.024       8.091      -0.480      -9.979       0.000       0.000      13.737       3.824       9.053       0.000       0.000       0.000       0.000    6332.145     -21.857       0.000
-     29000          11.51      30.402    6277.759    6308.161       0.000     300.162     300.000       7.872    0      -36.291      17.561     -14.311     -12.203     111.721       8.085      -0.486      -9.974       0.000       0.000      13.749       3.819       9.063       0.000       0.000       0.000       0.000    6281.667     -21.877       0.000
-     30000          11.52      30.408    6243.743    6274.152       0.000     300.223     300.000       7.872    0      -36.328      17.585     -14.295     -12.232     111.513       8.080      -0.490      -9.971       0.000       0.000      13.757       3.816       9.069       0.000       0.000       0.000       0.000    6247.736     -21.891       0.000
-     31000          11.54      30.406    6196.205    6226.611       0.000     300.200     300.000       7.872    0      -36.390      17.613     -14.270     -12.265     111.185       8.073      -0.496      -9.966       0.000       0.000      13.771       3.808       9.079       0.000       0.000       0.000       0.000    6200.340     -21.913       0.000
-     32000          11.56      30.398    6144.256    6174.655       0.000     300.125     300.000       7.872    0      -36.447      17.645     -14.247     -12.287     110.917       8.066      -0.502      -9.961       0.000       0.000      13.784       3.802       9.089       0.000       0.000       0.000       0.000    6148.496     -21.933       0.000
-     33000          11.57      30.407    6113.404    6143.811       0.000     300.213     300.000       7.872    0      -36.495      17.656     -14.230     -12.298     110.681       8.060      -0.507      -9.957       0.000       0.000      13.794       3.795       9.095       0.000       0.000       0.000       0.000    6117.754     -21.950       0.000
-     34000          11.59      30.402    6064.949    6095.351       0.000     300.156     300.000       7.872    0      -36.558      17.677     -14.207     -12.305     110.398       8.052      -0.514      -9.952       0.000       0.000      13.809       3.786       9.104       0.000       0.000       0.000       0.000    6069.421     -21.972       0.000
-     35000          11.60      30.407    6031.505    6061.913       0.000     300.212     300.000       7.872    0      -36.603      17.689     -14.190     -12.307     110.198       8.047      -0.518      -9.949       0.000       0.000      13.820       3.779       9.110       0.000       0.000       0.000       0.000    6036.065     -21.987       0.000
-     36000          11.62      30.403    5986.329    6016.732       0.000     300.168     300.000       7.872    0      -36.670      17.700     -14.166     -12.305     109.905       8.038      -0.525      -9.944       0.000       0.000      13.836       3.769       9.119       0.000       0.000       0.000       0.000    5991.030     -22.011       0.000
-     37000          11.63      30.406    5951.682    5982.088       0.000     300.203     300.000       7.872    0      -36.711      17.712     -14.151     -12.300     109.731       8.033      -0.530      -9.941       0.000       0.000      13.847       3.762       9.126       0.000       0.000       0.000       0.000    5956.453     -22.026       0.000
-     38000          11.65      30.404    5906.407    5936.811       0.000     300.176     300.000       7.872    0      -36.784      17.712     -14.125     -12.293     109.409       8.023      -0.537      -9.935       0.000       0.000      13.866       3.749       9.135       0.000       0.000       0.000       0.000    5911.347     -22.052       0.000
-     39000          11.66      30.404    5870.670    5901.074       0.000     300.179     300.000       7.872    0      -36.820      17.725     -14.111     -12.282     109.264       8.018      -0.542      -9.932       0.000       0.000      13.877       3.743       9.142       0.000       0.000       0.000       0.000    5875.661     -22.066       0.000
-     40000          11.68      30.403    5832.437    5862.840       0.000     300.168     300.000       7.872    0      -36.886      17.715     -14.087     -12.274     108.960       8.009      -0.549      -9.927       0.000       0.000      13.895       3.729       9.150       0.000       0.000       0.000       0.000    5837.603     -22.092       0.000
-     41000          11.69      30.404    5797.640    5828.044       0.000     300.181     300.000       7.872    0      -36.920      17.724     -14.073     -12.261     108.821       8.004      -0.554      -9.924       0.000       0.000      13.907       3.723       9.157       0.000       0.000       0.000       0.000    5802.857     -22.106       0.000
-     42000          11.71      30.401    5761.536    5791.938       0.000     300.152     300.000       7.872    0      -36.981      17.708     -14.051     -12.252     108.532       7.995      -0.561      -9.919       0.000       0.000      13.925       3.708       9.164       0.000       0.000       0.000       0.000    5766.926     -22.131       0.000
-     43000          11.72      30.404    5728.782    5759.187       0.000     300.185     300.000       7.872    0      -37.012      17.711     -14.037     -12.239     108.391       7.990      -0.566      -9.917       0.000       0.000      13.937       3.701       9.171       0.000       0.000       0.000       0.000    5734.231     -22.145       0.000
-     44000          11.74      30.399    5693.121    5723.520       0.000     300.126     300.000       7.872    0      -37.065      17.695     -14.016     -12.229     108.135       7.982      -0.573      -9.912       0.000       0.000      13.956       3.687       9.179       0.000       0.000       0.000       0.000    5698.725     -22.169       0.000
-     45000          11.75      30.404    5664.017    5694.421       0.000     300.179     300.000       7.872    0      -37.095      17.690     -14.002     -12.218     107.982       7.977      -0.577      -9.910       0.000       0.000      13.968       3.679       9.185       0.000       0.000       0.000       0.000    5669.699     -22.184       0.000
-     46000          11.77      30.395    5625.469    5655.864       0.000     300.089     300.000       7.872    0      -37.135      17.680     -13.983     -12.204     107.778       7.970      -0.584      -9.906       0.000       0.000      13.986       3.667       9.193       0.000       0.000       0.000       0.000    5631.261     -22.205       0.000
-     47000          11.78      30.402    5601.602    5632.004       0.000     300.158     300.000       7.872    0      -37.165      17.665     -13.969     -12.198     107.613       7.964      -0.589      -9.903       0.000       0.000      13.999       3.658       9.198       0.000       0.000       0.000       0.000    5607.498     -22.221       0.000
-     48000          11.80      30.391    5559.648    5590.039       0.000     300.052     300.000       7.872    0      -37.191      17.663     -13.952     -12.179     107.455       7.959      -0.595      -9.900       0.000       0.000      14.015       3.648       9.207       0.000       0.000       0.000       0.000    5565.606     -22.240       0.000
-     49000          11.81      30.399    5541.589    5571.989       0.000     300.131     300.000       7.872    0      -37.220      17.638     -13.939     -12.178     107.283       7.953      -0.600      -9.898       0.000       0.000      14.029       3.637       9.212       0.000       0.000       0.000       0.000    5547.674     -22.256       0.000
-     50000          11.83      30.402    5511.318    5541.719       0.000     300.155     300.000       7.872    0      -37.233      17.637     -13.928     -12.164     107.185       7.950      -0.604      -9.896       0.000       0.000      14.040       3.631       9.218       0.000       0.000       0.000       0.000    5517.433     -22.269       0.000
+                                                                                                                 #   EVDW SC-SC  EVDW2 SC-p  EES p-p     EBE bend    ESC SCloc   ETORS       ETORSD      ECORR4      ECORR5      ECORR6      EELLO       ETURN3      ETURN4      ETURN6      UCONST      EVDW2_14    EHPB        ESTR        EVDWPP      ESCCOR    
+         0           0.00      30.343       0.415      30.757       2.541     299.574     300.000       8.016    0      -34.223      12.846     -10.453     -16.349      53.553       8.667      -0.663      -8.169       0.000       0.000      10.993       4.828       7.196       0.000       0.000       0.000       0.000      18.571     -20.048       0.000
+         1           0.10      26.127       4.952      31.079       0.960     257.954     300.000       8.013    0      -34.223      12.917     -10.462     -16.218      54.689       8.621      -0.654      -8.171       0.000       0.000      11.111       4.864       7.196       0.000       0.000       0.000       0.000      22.672     -20.075       0.000
+         2           0.20      27.947       3.463      31.410       0.676     275.921     300.000       8.010    0      -34.131      12.933     -10.495     -16.083      56.008       8.554      -0.646      -8.190       0.000       0.000      11.216       4.876       7.199       0.000       0.000       0.000       0.000      20.781     -20.115       0.000
+         3           0.30      33.861      -2.620      31.241       1.165     334.310     300.000       8.006    0      -33.989      12.905     -10.549     -15.997      56.985       8.488      -0.643      -8.225       0.000       0.000      11.279       4.867       7.196       0.000       0.000       0.000       0.000      14.490     -20.164       0.000
+         4           0.40      37.864      -7.222      30.641       1.260     373.828     300.000       8.003    0      -33.861      12.865     -10.624     -15.928      57.347       8.443      -0.644      -8.271       0.000       0.000      11.283       4.847       7.179       0.000       0.000       0.000       0.000       9.855     -20.220       0.000
+         5           0.50      36.684      -6.671      30.014       1.656     362.185     300.000       8.000    0      -33.760      12.846     -10.711     -15.795      57.598       8.428      -0.643      -8.322       0.000       0.000      11.236       4.830       7.148       0.000       0.000       0.000       0.000      10.281     -20.275       0.000
+         6           0.60      32.416      -2.785      29.631       1.399     320.043     300.000       7.997    0      -33.649      12.859     -10.796     -15.556      58.420       8.442      -0.639      -8.370       0.000       0.000      11.161       4.828       7.108       0.000       0.000       0.000       0.000      13.683     -20.320       0.000
+         7           0.70      28.835       0.697      29.532       1.210     284.692     300.000       7.995    0      -33.497      12.890     -10.862     -15.227      59.947       8.473      -0.631      -8.402       0.000       0.000      11.085       4.843       7.064       0.000       0.000       0.000       0.000      16.293     -20.344       0.000
+         8           0.80      27.567       2.083      29.651       1.015     272.172     300.000       7.995    0      -33.318      12.913     -10.893     -14.860      61.773       8.507      -0.627      -8.409       0.000       0.000      11.033       4.871       7.020       0.000       0.000       0.000       0.000      16.627     -20.338       0.000
+         9           0.90      27.993       1.863      29.857       1.019     276.380     300.000       7.996    0      -33.151      12.899     -10.880     -14.529      63.302       8.531      -0.630      -8.387       0.000       0.000      11.018       4.898       6.983       0.000       0.000       0.000       0.000      15.493     -20.297       0.000
+        10           1.00      28.798       1.231      30.029       1.485     284.323     300.000       7.998    0      -33.032      12.836     -10.827     -14.305      63.995       8.536      -0.641      -8.340       0.000       0.000      11.041       4.912       6.956       0.000       0.000       0.000       0.000      14.365     -20.227       0.000
+        11           1.10      28.994       1.197      30.191       1.335     286.255     300.000       8.000    0      -32.963      12.729     -10.750     -14.221      63.442       8.524      -0.659      -8.279       0.000       0.000      11.093       4.906       6.942       0.000       0.000       0.000       0.000      14.376     -20.139       0.000
+        12           1.20      28.705       1.717      30.422       1.248     283.402     300.000       8.002    0      -32.930      12.610     -10.674     -14.253      61.435       8.497      -0.676      -8.219       0.000       0.000      11.158       4.884       6.942       0.000       0.000       0.000       0.000      15.419     -20.055       0.000
+        13           1.30      29.172       1.496      30.668       0.994     288.014     300.000       8.004    0      -32.916      12.516     -10.621     -14.335      58.071       8.465      -0.684      -8.175       0.000       0.000      11.226       4.856       6.953       0.000       0.000       0.000       0.000      16.010     -19.992       0.000
+        14           1.40      31.251      -0.521      30.730       1.063     308.541     300.000       8.003    0      -32.925      12.475     -10.606     -14.391      53.769       8.434      -0.676      -8.156       0.000       0.000      11.291       4.834       6.973       0.000       0.000       0.000       0.000      14.873     -19.964       0.000
+        15           1.50      33.866      -3.384      30.482       0.915     334.357     300.000       8.002    0      -32.972      12.494     -10.632     -14.367      48.785       8.408      -0.648      -8.165       0.000       0.000      11.346       4.826       6.996       0.000       0.000       0.000       0.000      12.849     -19.975       0.000
+        16           1.60      34.562      -4.549      30.013       1.257     341.229     300.000       7.999    0      -33.059      12.562     -10.693     -14.235      43.174       8.390      -0.606      -8.198       0.000       0.000      11.391       4.833       7.018       0.000       0.000       0.000       0.000      12.453     -20.018       0.000
+        17           1.70      32.401      -2.657      29.745       2.052     319.899     300.000       7.996    0      -33.147      12.654     -10.772     -14.007      38.923       8.382      -0.558      -8.246       0.000       0.000      11.428       4.850       7.038       0.000       0.000       0.000       0.000      14.727     -20.083       0.000
+        18           1.80      29.779      -0.010      29.769       1.783     294.011     300.000       7.994    0      -33.221      12.735     -10.854     -13.754      36.933       8.382      -0.516      -8.296       0.000       0.000      11.464       4.870       7.055       0.000       0.000       0.000       0.000      17.353     -20.155       0.000
+        19           1.90      29.792       0.050      29.842       1.430     294.140     300.000       7.993    0      -33.314      12.779     -10.926     -13.589      36.862       8.388      -0.492      -8.338       0.000       0.000      11.503       4.881       7.068       0.000       0.000       0.000       0.000      17.284     -20.220       0.000
+        20           2.00      32.404      -2.713      29.691       0.866     319.928     300.000       7.994    0      -33.430      12.775     -10.978     -13.591      37.893       8.397      -0.486      -8.364       0.000       0.000      11.548       4.875       7.077       0.000       0.000       0.000       0.000      14.542     -20.265       0.000
+        21           2.10      34.549      -5.257      29.292       3.138     341.107     300.000       7.995    0      -33.538      12.729     -11.008     -13.787      39.518       8.405      -0.496      -8.371       0.000       0.000      11.596       4.848       7.084       0.000       0.000       0.000       0.000      12.238     -20.285       0.000
+        22           2.20      33.699      -4.798      28.901       2.485     332.712     300.000       7.997    0      -33.629      12.658     -11.017     -14.175      41.869       8.413      -0.516      -8.361       0.000       0.000      11.648       4.800       7.089       0.000       0.000       0.000       0.000      13.078     -20.279       0.000
+        23           2.30      30.753      -1.933      28.820       1.795     303.628     300.000       7.999    0      -33.705      12.583     -11.009     -14.722      44.351       8.422      -0.538      -8.339       0.000       0.000      11.705       4.742       7.095       0.000       0.000       0.000       0.000      16.468     -20.255       0.000
+        24           2.40      28.869       0.019      28.888       2.250     285.025     300.000       8.001    0      -33.762      12.523     -10.989     -15.311      44.954       8.430      -0.555      -8.312       0.000       0.000      11.766       4.686       7.102       0.000       0.000       0.000       0.000      19.226     -20.224       0.000
+        25           2.50      29.828      -0.830      28.998       2.065     294.492     300.000       8.001    0      -33.798      12.499     -10.964     -15.769      44.453       8.433      -0.561      -8.285       0.000       0.000      11.832       4.645       7.113       0.000       0.000       0.000       0.000      19.089     -20.199       0.000
+        26           2.60      32.745      -3.829      28.916       2.976     323.292     300.000       8.001    0      -33.825      12.528     -10.941     -15.975      43.125       8.427      -0.556      -8.267       0.000       0.000      11.901       4.630       7.130       0.000       0.000       0.000       0.000      16.514     -20.194       0.000
+        27           2.70      35.521      -6.942      28.579       1.736     350.701     300.000       7.999    0      -33.887      12.608     -10.932     -15.939      41.633       8.418      -0.544      -8.261       0.000       0.000      11.967       4.643       7.153       0.000       0.000       0.000       0.000      13.506     -20.219       0.000
+        28           2.80      36.658      -8.633      28.025       1.101     361.923     300.000       7.997    0      -34.033      12.719     -10.941     -15.759      40.503       8.416      -0.535      -8.271       0.000       0.000      12.019       4.679       7.178       0.000       0.000       0.000       0.000      11.734     -20.275       0.000
+        29           2.90      35.922      -8.480      27.441       1.256     354.656     300.000       7.994    0      -34.258      12.829     -10.969     -15.546      40.257       8.427      -0.538      -8.295       0.000       0.000      12.051       4.728       7.204       0.000       0.000       0.000       0.000      11.730     -20.356       0.000
+        30           3.00      34.331      -7.367      26.964       1.014     338.949     300.000       7.990    0      -34.512      12.913     -11.010     -15.384      41.416       8.453      -0.559      -8.328       0.000       0.000      12.063       4.772       7.230       0.000       0.000       0.000       0.000      12.624     -20.447       0.000
+        31           3.10      33.133      -6.554      26.579       1.822     327.126     300.000       7.986    0      -34.748      12.964     -11.055     -15.330      43.814       8.485      -0.594      -8.364       0.000       0.000      12.068       4.795       7.262       0.000       0.000       0.000       0.000      13.213     -20.534       0.000
+        32           3.20      32.482      -6.231      26.250       1.809     320.693     300.000       7.982    0      -34.936      12.994     -11.098     -15.390      45.730       8.513      -0.637      -8.395       0.000       0.000      12.083       4.789       7.301       0.000       0.000       0.000       0.000      13.544     -20.605       0.000
+        33           3.30      31.749      -5.710      26.039       1.600     313.460     300.000       7.978    0      -35.066      13.021     -11.133     -15.492      46.640       8.531      -0.676      -8.416       0.000       0.000      12.125       4.759       7.347       0.000       0.000       0.000       0.000      14.242     -20.656       0.000
+        34           3.40      30.893      -4.963      25.931       1.118     305.011     300.000       7.976    0      -35.152      13.062     -11.159     -15.529      47.189       8.539      -0.698      -8.426       0.000       0.000      12.195       4.716       7.395       0.000       0.000       0.000       0.000      15.070     -20.690       0.000
+        35           3.50      30.329      -4.431      25.898       1.379     299.440     300.000       7.975    0      -35.236      13.125     -11.181     -15.458      47.660       8.539      -0.699      -8.429       0.000       0.000      12.280       4.675       7.436       0.000       0.000       0.000       0.000      15.508     -20.716       0.000
+        36           3.60      30.434      -4.499      25.935       1.440     300.476     300.000       7.975    0      -35.352      13.205     -11.202     -15.321      48.351       8.534      -0.680      -8.430       0.000       0.000      12.358       4.645       7.462       0.000       0.000       0.000       0.000      15.219     -20.742       0.000
+        37           3.70      31.497      -5.597      25.900       0.875     310.975     300.000       7.976    0      -35.493      13.281     -11.222     -15.190      49.589       8.531      -0.653      -8.433       0.000       0.000      12.411       4.626       7.469       0.000       0.000       0.000       0.000      13.842     -20.772       0.000
+        38           3.80      32.930      -7.252      25.678       0.581     325.122     300.000       7.978    0      -35.623      13.326     -11.240     -15.101      51.384       8.534      -0.635      -8.439       0.000       0.000      12.428       4.613       7.458       0.000       0.000       0.000       0.000      11.910     -20.804       0.000
+        39           3.90      33.260      -7.910      25.351       1.100     328.380     300.000       7.980    0      -35.713      13.323     -11.249     -15.053      53.173       8.545      -0.636      -8.446       0.000       0.000      12.415       4.596       7.438       0.000       0.000       0.000       0.000      11.068     -20.829       0.000
+        40           4.00      31.749      -6.622      25.128       1.859     313.460     300.000       7.983    0      -35.762      13.280     -11.248     -15.041      54.319       8.560      -0.657      -8.452       0.000       0.000      12.395       4.572       7.423       0.000       0.000       0.000       0.000      12.353     -20.841       0.000
+        41           4.10      29.625      -4.480      25.146       2.015     292.493     300.000       7.985    0      -35.798      13.220     -11.238     -15.068      54.511       8.571      -0.688      -8.455       0.000       0.000      12.391       4.540       7.428       0.000       0.000       0.000       0.000      14.711     -20.836       0.000
+        42           4.20      29.035      -3.774      25.261       1.913     286.664     300.000       7.986    0      -35.845      13.170     -11.224     -15.150      53.804       8.570      -0.714      -8.454       0.000       0.000      12.417       4.509       7.462       0.000       0.000       0.000       0.000      15.823     -20.819       0.000
+        43           4.30      30.253      -5.016      25.237       1.116     298.692     300.000       7.986    0      -35.911      13.146     -11.211     -15.289      52.634       8.556      -0.720      -8.452       0.000       0.000      12.468       4.485       7.521       0.000       0.000       0.000       0.000      15.074     -20.798       0.000
+        44           4.40      31.053      -5.909      25.143       0.829     306.583     300.000       7.985    0      -35.996      13.153     -11.210     -15.476      51.530       8.530      -0.698      -8.452       0.000       0.000      12.521       4.474       7.593       0.000       0.000       0.000       0.000      14.656     -20.787       0.000
+        45           4.50      30.143      -4.929      25.214       1.467     297.605     300.000       7.982    0      -36.119      13.184     -11.228     -15.686      50.772       8.494      -0.655      -8.459       0.000       0.000      12.550       4.474       7.663       0.000       0.000       0.000       0.000      16.086     -20.796       0.000
+        46           4.60      29.439      -4.021      25.417       1.196     290.649     300.000       7.978    0      -36.308      13.222     -11.268     -15.886      51.125       8.455      -0.602      -8.480       0.000       0.000      12.535       4.479       7.712       0.000       0.000       0.000       0.000      17.358     -20.832       0.000
+        47           4.70      31.191      -5.731      25.460       2.486     307.952     300.000       7.973    0      -36.582      13.251     -11.333     -16.019      53.222       8.418      -0.557      -8.517       0.000       0.000      12.476       4.482       7.733       0.000       0.000       0.000       0.000      15.844     -20.894       0.000
+        48           4.80      34.193      -9.087      25.106       2.020     337.593     300.000       7.968    0      -36.920      13.271     -11.420     -16.002      55.429       8.383      -0.529      -8.572       0.000       0.000      12.390       4.481       7.730       0.000       0.000       0.000       0.000      12.675     -20.981       0.000
+        49           4.90      34.860     -10.212      24.648       1.695     344.176     300.000       7.963    0      -37.265      13.293     -11.527     -15.787      56.993       8.350      -0.519      -8.643       0.000       0.000      12.309       4.478       7.713       0.000       0.000       0.000       0.000      11.679     -21.087       0.000
+        50           5.00      32.585      -8.133      24.452       1.017     321.713     300.000       7.958    0      -37.554      13.333     -11.646     -15.436      58.016       8.315      -0.518      -8.724       0.000       0.000      12.261       4.482       7.698       0.000       0.000       0.000       0.000      13.731     -21.202       0.000
+        51           5.10      30.884      -6.464      24.420       1.228     304.921     300.000       7.953    0      -37.759      13.391     -11.767     -15.114      58.244       8.275      -0.516      -8.810       0.000       0.000      12.269       4.501       7.699       0.000       0.000       0.000       0.000      15.360     -21.314       0.000
+        52           5.20      32.130      -7.894      24.236       0.847     317.216     300.000       7.949    0      -37.883      13.457     -11.875     -14.977      57.559       8.226      -0.505      -8.889       0.000       0.000      12.335       4.532       7.721       0.000       0.000       0.000       0.000      14.072     -21.413       0.000
+        53           5.30      34.496     -10.621      23.875       1.074     340.580     300.000       7.945    0      -37.938      13.509     -11.959     -15.051      56.373       8.173      -0.485      -8.952       0.000       0.000      12.441       4.564       7.759       0.000       0.000       0.000       0.000      11.688     -21.490       0.000
+        54           5.40      35.476     -12.009      23.467       1.324     350.252     300.000       7.941    0      -37.950      13.530     -12.013     -15.268      55.104       8.119      -0.459      -8.994       0.000       0.000      12.556       4.582       7.801       0.000       0.000       0.000       0.000      10.789     -21.543       0.000
+        55           5.50      35.042     -12.038      23.004       1.566     345.969     300.000       7.937    0      -37.956      13.516     -12.042     -15.534      53.937       8.070      -0.436      -9.019       0.000       0.000      12.654       4.573       7.833       0.000       0.000       0.000       0.000      11.357     -21.580       0.000
+        56           5.60      34.008     -11.482      22.526       1.857     335.767     300.000       7.934    0      -37.971      13.487     -12.065     -15.738      52.680       8.031      -0.423      -9.035       0.000       0.000      12.726       4.538       7.852       0.000       0.000       0.000       0.000      12.537     -21.618       0.000
+        57           5.70      32.528     -10.343      22.185       1.610     321.154     300.000       7.930    0      -37.976      13.480     -12.104     -15.777      50.773       8.003      -0.423      -9.058       0.000       0.000      12.780       4.489       7.862       0.000       0.000       0.000       0.000      14.217     -21.677       0.000
+        58           5.80      31.220      -9.149      22.071       0.548     308.235     300.000       7.926    0      -37.975      13.530     -12.187     -15.623      48.769       7.983      -0.430      -9.103       0.000       0.000      12.830       4.444       7.877       0.000       0.000       0.000       0.000      15.676     -21.778       0.000
+        59           5.90      31.338      -9.342      21.997       0.635     309.404     300.000       7.922    0      -38.006      13.657     -12.326     -15.353      47.173       7.967      -0.436      -9.180       0.000       0.000      12.892       4.423       7.911       0.000       0.000       0.000       0.000      15.469     -21.928       0.000
+        60           6.00      32.842     -11.053      21.790       1.122     324.255     300.000       7.917    0      -38.062      13.857     -12.521     -15.142      45.662       7.950      -0.433      -9.288       0.000       0.000      12.976       4.432       7.974       0.000       0.000       0.000       0.000      13.689     -22.122       0.000
+        61           6.10      34.094     -12.626      21.468       1.155     336.614     300.000       7.911    0      -38.091      14.094     -12.746     -15.140      43.784       7.925      -0.420      -9.414       0.000       0.000      13.082       4.464       8.066       0.000       0.000       0.000       0.000      12.217     -22.336       0.000
+        62           6.20      34.326     -13.130      21.196       2.089     338.906     300.000       7.906    0      -38.074      14.309     -12.962     -15.327      42.144       7.891      -0.398      -9.538       0.000       0.000      13.200       4.495       8.179       0.000       0.000       0.000       0.000      11.943     -22.539       0.000
+        63           6.30      34.879     -14.008      20.871       1.175     344.360     300.000       7.901    0      -38.036      14.444     -13.130     -15.615      41.517       7.851      -0.375      -9.640       0.000       0.000      13.311       4.502       8.291       0.000       0.000       0.000       0.000      11.352     -22.703       0.000
+        64           6.40      36.374     -16.140      20.234       0.992     359.121     300.000       7.896    0      -38.000      14.470     -13.226     -15.999      42.381       7.809      -0.361      -9.708       0.000       0.000      13.403       4.469       8.381       0.000       0.000       0.000       0.000       9.579     -22.816       0.000
+        65           6.50      36.344     -16.902      19.442       1.330     358.824     300.000       7.893    0      -37.968      14.412     -13.258     -16.426      44.622       7.772      -0.360      -9.747       0.000       0.000      13.473       4.402       8.436       0.000       0.000       0.000       0.000       9.172     -22.887       0.000
+        66           6.60      32.843     -13.822      19.021       1.298     324.258     300.000       7.889    0      -37.931      14.333     -13.260     -16.742      47.448       7.747      -0.372      -9.772       0.000       0.000      13.535       4.322       8.458       0.000       0.000       0.000       0.000      12.427     -22.942       0.000
+        67           6.70      28.595      -9.499      19.096       1.479     282.315     300.000       7.885    0      -37.891      14.301     -13.277     -16.893      49.720       7.737      -0.393      -9.804       0.000       0.000      13.601       4.258       8.461       0.000       0.000       0.000       0.000      16.734     -23.011       0.000
+        68           6.80      27.829      -8.528      19.302       1.100     274.762     300.000       7.880    0      -37.849      14.360     -13.346     -16.882      50.935       7.738      -0.420      -9.860       0.000       0.000      13.683       4.230       8.464       0.000       0.000       0.000       0.000      17.502     -23.122       0.000
+        69           6.90      30.675     -11.374      19.301       0.798     302.858     300.000       7.875    0      -37.785      14.522     -13.488     -16.700      51.187       7.746      -0.446      -9.948       0.000       0.000      13.788       4.244       8.487       0.000       0.000       0.000       0.000      14.188     -23.285       0.000
+        70           7.00      33.343     -14.282      19.061       0.933     329.193     300.000       7.868    0      -37.667      14.767     -13.696     -16.424      50.670       7.756      -0.469     -10.062       0.000       0.000      13.918       4.293       8.536       0.000       0.000       0.000       0.000      10.603     -23.490       0.000
+        71           7.10      32.958     -14.150      18.808       0.915     325.396     300.000       7.862    0      -37.497      15.048     -13.941     -16.237      50.103       7.762      -0.483     -10.186       0.000       0.000      14.072       4.357       8.613       0.000       0.000       0.000       0.000      10.016     -23.713       0.000
+        72           7.20      30.445     -11.686      18.759       1.368     300.582     300.000       7.855    0      -37.317      15.311     -14.183     -16.237      50.230       7.763      -0.489     -10.299       0.000       0.000      14.238       4.413       8.707       0.000       0.000       0.000       0.000      11.869     -23.923       0.000
+        73           7.30      28.807      -9.949      18.858       1.527     284.417     300.000       7.849    0      -37.186      15.508     -14.384     -16.319      51.391       7.761      -0.488     -10.392       0.000       0.000      14.400       4.444       8.802       0.000       0.000       0.000       0.000      13.080     -24.102       0.000
+        74           7.40      29.334     -10.439      18.895       1.116     289.615     300.000       7.844    0      -37.109      15.622     -14.527     -16.260      53.562       7.762      -0.485     -10.464       0.000       0.000      14.544       4.445       8.879       0.000       0.000       0.000       0.000      11.955     -24.244       0.000
+        75           7.50      30.251     -11.408      18.843       0.865     298.666     300.000       7.838    0      -37.010      15.668     -14.617     -16.017      56.356       7.769      -0.483     -10.527       0.000       0.000      14.660       4.422       8.922       0.000       0.000       0.000       0.000      10.128     -24.362       0.000
+        76           7.60      29.503     -10.610      18.892       1.289     291.282     300.000       7.833    0      -36.798      15.691     -14.681     -15.809      59.073       7.783      -0.484     -10.597       0.000       0.000      14.747       4.391       8.928       0.000       0.000       0.000       0.000      10.020     -24.473       0.000
+        77           7.70      27.719      -8.570      19.149       0.875     273.671     300.000       7.828    0      -36.554      15.735     -14.755     -15.846      61.033       7.801      -0.488     -10.690       0.000       0.000      14.806       4.368       8.906       0.000       0.000       0.000       0.000      11.501     -24.594       0.000
+        78           7.80      27.079      -7.627      19.453       0.662     267.355     300.000       7.823    0      -36.535      15.824     -14.867     -16.113      62.051       7.819      -0.491     -10.809       0.000       0.000      14.842       4.363       8.873       0.000       0.000       0.000       0.000      12.559     -24.735       0.000
+        79           7.90      27.936      -8.264      19.671       1.394     275.809     300.000       7.818    0      -36.797      15.954     -15.027     -16.422      62.539       7.832      -0.492     -10.948       0.000       0.000      14.859       4.373       8.850       0.000       0.000       0.000       0.000      12.503     -24.895       0.000
+        80           8.00      28.784      -8.880      19.904       0.890     284.181     300.000       7.814    0      -37.108      16.108     -15.220     -16.602      62.928       7.835      -0.490     -11.085       0.000       0.000      14.871       4.391       8.858       0.000       0.000       0.000       0.000      12.376     -25.061       0.000
+        81           8.10      29.221      -9.079      20.142       0.976     288.501     300.000       7.811    0      -37.328      16.261     -15.422     -16.639      63.002       7.825      -0.485     -11.200       0.000       0.000      14.886       4.404       8.909       0.000       0.000       0.000       0.000      12.427     -25.216       0.000
+        82           8.20      30.113      -9.873      20.241       0.895     297.311     300.000       7.809    0      -37.487      16.391     -15.606     -16.599      63.319       7.802      -0.481     -11.276       0.000       0.000      14.907       4.400       9.000       0.000       0.000       0.000       0.000      11.703     -25.340       0.000
+        83           8.30      31.096     -10.969      20.127       1.335     307.011     300.000       7.808    0      -37.634      16.482     -15.757     -16.502      64.439       7.772      -0.478     -11.312       0.000       0.000      14.926       4.373       9.111       0.000       0.000       0.000       0.000      10.524     -25.418       0.000
+        84           8.40      30.435     -10.407      20.027       1.328     300.481     300.000       7.807    0      -37.781      16.527     -15.865     -16.349      66.016       7.741      -0.477     -11.319       0.000       0.000      14.932       4.325       9.214       0.000       0.000       0.000       0.000      10.937     -25.456       0.000
+        85           8.50      28.128      -7.906      20.222       1.065     277.708     300.000       7.805    0      -37.925      16.536     -15.928     -16.213      67.311       7.720      -0.475     -11.319       0.000       0.000      14.919       4.267       9.284       0.000       0.000       0.000       0.000      13.393     -25.477       0.000
+        86           8.60      26.956      -6.350      20.606       0.895     266.137     300.000       7.802    0      -38.066      16.530     -15.955     -16.208      67.566       7.715      -0.471     -11.331       0.000       0.000      14.887       4.217       9.311       0.000       0.000       0.000       0.000      15.207     -25.511       0.000
+        87           8.70      28.799      -7.972      20.827       1.228     284.335     300.000       7.798    0      -38.207      16.541     -15.970     -16.380      66.374       7.728      -0.462     -11.370       0.000       0.000      14.841       4.195       9.295       0.000       0.000       0.000       0.000      14.201     -25.579       0.000
+        88           8.80      31.792     -11.012      20.780       1.430     313.888     300.000       7.792    0      -38.349      16.590     -16.001     -16.637      63.916       7.755      -0.448     -11.437       0.000       0.000      14.788       4.216       9.251       0.000       0.000       0.000       0.000      11.953     -25.683       0.000
+        89           8.90      33.142     -12.495      20.647       0.897     327.209     300.000       7.787    0      -38.489      16.679     -16.069     -16.819      60.844       7.790      -0.431     -11.525       0.000       0.000      14.736       4.283       9.198       0.000       0.000       0.000       0.000      11.158     -25.810       0.000
+        90           9.00      32.980     -12.471      20.509       1.121     325.614     300.000       7.781    0      -38.627      16.789     -16.179     -16.875      57.884       7.830      -0.413     -11.619       0.000       0.000      14.689       4.383       9.151       0.000       0.000       0.000       0.000      11.636     -25.941       0.000
+        91           9.10      33.098     -12.852      20.246       1.100     326.777     300.000       7.777    0      -38.731      16.894     -16.325     -16.902      55.558       7.868      -0.398     -11.703       0.000       0.000      14.645       4.492       9.120       0.000       0.000       0.000       0.000      11.536     -26.058       0.000
+        92           9.20      33.480     -13.628      19.852       1.634     330.551     300.000       7.773    0      -38.755      16.975     -16.493     -17.000      54.153       7.903      -0.389     -11.767       0.000       0.000      14.596       4.583       9.104       0.000       0.000       0.000       0.000      10.943     -26.141       0.000
+        93           9.30      32.731     -13.183      19.549       1.662     323.159     300.000       7.770    0      -38.741      17.023     -16.671     -17.133      53.563       7.935      -0.386     -11.812       0.000       0.000      14.529       4.636       9.091       0.000       0.000       0.000       0.000      11.552     -26.181       0.000
+        94           9.40      31.205     -11.722      19.483       1.485     308.085     300.000       7.767    0      -38.834      17.036     -16.841     -17.195      53.118       7.966      -0.386     -11.843       0.000       0.000      14.437       4.643       9.071       0.000       0.000       0.000       0.000      13.350     -26.181       0.000
+        95           9.50      31.125     -11.657      19.467       1.304     307.295     300.000       7.765    0      -39.116      17.023     -16.986     -17.170      51.492       8.001      -0.385     -11.871       0.000       0.000      14.319       4.611       9.035       0.000       0.000       0.000       0.000      14.192     -26.160       0.000
+        96           9.60      33.268     -14.009      19.259       1.833     328.456     300.000       7.762    0      -39.477      17.006     -17.087     -17.114      48.920       8.038      -0.381     -11.900       0.000       0.000      14.185       4.558       8.988       0.000       0.000       0.000       0.000      12.856     -26.148       0.000
+        97           9.70      35.684     -16.873      18.811       1.506     352.313     300.000       7.760    0      -39.754      17.006     -17.141     -17.003      47.683       8.073      -0.371     -11.933       0.000       0.000      14.045       4.507       8.941       0.000       0.000       0.000       0.000      10.550     -26.166       0.000
+        98           9.80      36.238     -17.990      18.248       1.643     357.780     300.000       7.758    0      -39.913      17.031     -17.157     -16.739      49.132       8.099      -0.354     -11.966       0.000       0.000      13.911       4.477       8.910       0.000       0.000       0.000       0.000       9.119     -26.215       0.000
+        99           9.90      34.759     -17.009      17.749       1.291     343.173     300.000       7.757    0      -40.015      17.069     -17.158     -16.357      51.866       8.110      -0.331     -11.995       0.000       0.000      13.794       4.474       8.902       0.000       0.000       0.000       0.000       9.286     -26.278       0.000
+       100          10.00      32.576     -15.193      17.384       1.978     321.628     300.000       7.756    0      -40.094      17.107     -17.165     -16.095      53.384       8.102      -0.303     -12.017       0.000       0.000      13.699       4.495       8.917       0.000       0.000       0.000       0.000      10.569     -26.337       0.000
+       101          10.10      31.070     -13.857      17.213       2.389     306.760     300.000       7.755    0      -40.123      17.134     -17.197     -16.149      53.804       8.076      -0.273     -12.033       0.000       0.000      13.626       4.528       8.941       0.000       0.000       0.000       0.000      11.872     -26.377       0.000
+       102          10.20      30.809     -13.719      17.090       1.519     304.179     300.000       7.754    0      -40.056      17.153     -17.268     -16.455      53.167       8.038      -0.243     -12.047       0.000       0.000      13.573       4.563       8.960       0.000       0.000       0.000       0.000      12.367     -26.393       0.000
+       103          10.30      30.947     -13.985      16.962       1.238     305.543     300.000       7.752    0      -39.876      17.173     -17.378     -16.743      51.477       7.997      -0.215     -12.068       0.000       0.000      13.539       4.592       8.961       0.000       0.000       0.000       0.000      12.508     -26.396       0.000
+       104          10.40      30.550     -13.585      16.965       0.769     301.623     300.000       7.749    0      -39.602      17.209     -17.517     -16.818      49.537       7.963      -0.191     -12.102       0.000       0.000      13.526       4.616       8.939       0.000       0.000       0.000       0.000      13.004     -26.405       0.000
+       105          10.50      30.364     -13.330      17.034       0.702     299.783     300.000       7.744    0      -39.263      17.271     -17.664     -16.777      47.959       7.940      -0.173     -12.154       0.000       0.000      13.536       4.637       8.894       0.000       0.000       0.000       0.000      13.052     -26.445       0.000
+       106          10.60      31.247     -14.302      16.945       1.954     308.499     300.000       7.739    0      -38.890      17.367     -17.800     -16.808      47.042       7.932      -0.161     -12.225       0.000       0.000      13.565       4.660       8.832       0.000       0.000       0.000       0.000      11.739     -26.531       0.000
+       107          10.70      31.900     -15.169      16.731       1.624     314.947     300.000       7.734    0      -38.533      17.491     -17.913     -16.898      46.802       7.936      -0.156     -12.309       0.000       0.000      13.601       4.687       8.762       0.000       0.000       0.000       0.000      10.444     -26.658       0.000
+       108          10.80      30.894     -14.212      16.682       1.398     305.019     300.000       7.729    0      -38.275      17.622     -18.003     -16.928      47.079       7.950      -0.156     -12.395       0.000       0.000      13.630       4.712       8.692       0.000       0.000       0.000       0.000      10.922     -26.803       0.000
+       109          10.90      29.762     -12.940      16.822       1.536     293.837     300.000       7.725    0      -38.198      17.733     -18.071     -16.922      47.739       7.970      -0.160     -12.473       0.000       0.000      13.643       4.728       8.632       0.000       0.000       0.000       0.000      11.875     -26.941       0.000
+       110          11.00      30.774     -13.980      16.793       1.060     303.828     300.000       7.722    0      -38.338      17.804     -18.125     -16.992      48.817       7.991      -0.161     -12.531       0.000       0.000      13.636       4.728       8.588       0.000       0.000       0.000       0.000      10.880     -27.047       0.000
+       111          11.10      32.399     -15.947      16.452       0.954     319.881     300.000       7.720    0      -38.666      17.835     -18.178     -17.077      50.433       8.010      -0.158     -12.569       0.000       0.000      13.614       4.713       8.560       0.000       0.000       0.000       0.000       9.206     -27.112       0.000
+       112          11.20      30.915     -14.657      16.258       0.704     305.223     300.000       7.718    0      -39.089      17.845     -18.242     -16.969      52.528       8.022      -0.148     -12.589       0.000       0.000      13.586       4.692       8.549       0.000       0.000       0.000       0.000      10.657     -27.133       0.000
+       113          11.30      27.095     -10.468      16.627       2.085     267.512     300.000       7.717    0      -39.488      17.858     -18.323     -16.657      54.694       8.021      -0.134     -12.601       0.000       0.000      13.563       4.674       8.550       0.000       0.000       0.000       0.000      14.731     -27.121       0.000
+       114          11.40      26.566      -9.414      17.152       1.630     262.283     300.000       7.716    0      -39.794      17.894     -18.419     -16.418      56.213       8.002      -0.116     -12.610       0.000       0.000      13.561       4.666       8.562       0.000       0.000       0.000       0.000      15.706     -27.095       0.000
+       115          11.50      31.309     -14.178      17.130       0.910     309.111     300.000       7.715    0      -40.001      17.961     -18.519     -16.497      56.233       7.964      -0.099     -12.622       0.000       0.000      13.587       4.671       8.580       0.000       0.000       0.000       0.000      11.300     -27.073       0.000
+       116          11.60      35.487     -18.875      16.612       1.054     350.368     300.000       7.714    0      -40.132      18.051     -18.617     -16.824      54.196       7.908      -0.082     -12.641       0.000       0.000      13.635       4.684       8.595       0.000       0.000       0.000       0.000       7.464     -27.064       0.000
+       117          11.70      33.803     -17.507      16.296       1.464     333.736     300.000       7.712    0      -40.203      18.137     -18.706     -17.084      52.006       7.840      -0.066     -12.669       0.000       0.000      13.684       4.696       8.601       0.000       0.000       0.000       0.000       9.597     -27.066       0.000
+       118          11.80      29.668     -13.198      16.470       1.944     292.914     300.000       7.711    0      -40.235      18.193     -18.784     -17.085      52.395       7.769      -0.048     -12.704       0.000       0.000      13.715       4.695       8.594       0.000       0.000       0.000       0.000      13.983     -27.070       0.000
+       119          11.90      29.518     -13.032      16.486       1.573     291.430     300.000       7.709    0      -40.252      18.212     -18.850     -16.949      53.620       7.700      -0.025     -12.741       0.000       0.000      13.724       4.678       8.576       0.000       0.000       0.000       0.000      13.991     -27.071       0.000
+       120          12.00      32.389     -16.270      16.120       1.380     319.781     300.000       7.708    0      -40.274      18.214     -18.909     -16.828      54.442       7.636       0.002     -12.779       0.000       0.000      13.718       4.656       8.553       0.000       0.000       0.000       0.000      10.705     -27.069       0.000
+       121          12.10      32.422     -16.552      15.870       1.193     320.101     300.000       7.705    0      -40.304      18.231     -18.969     -16.707      54.872       7.581       0.032     -12.820       0.000       0.000      13.707       4.644       8.529       0.000       0.000       0.000       0.000      10.390     -27.073       0.000
+       122          12.20      29.295     -13.208      16.086       0.853     289.229     300.000       7.702    0      -40.327      18.284     -19.035     -16.534      54.968       7.538       0.060     -12.866       0.000       0.000      13.702       4.656       8.508       0.000       0.000       0.000       0.000      13.572     -27.094       0.000
+       123          12.30      28.492     -12.132      16.361       0.610     281.307     300.000       7.699    0      -40.320      18.380     -19.110     -16.345      54.770       7.509       0.084     -12.919       0.000       0.000      13.709       4.692       8.489       0.000       0.000       0.000       0.000      14.355     -27.141       0.000
+       124          12.40      31.829     -15.642      16.187       0.789     314.254     300.000       7.695    0      -40.262      18.514     -19.196     -16.194      54.419       7.491       0.099     -12.978       0.000       0.000      13.726       4.744       8.467       0.000       0.000       0.000       0.000      10.469     -27.214       0.000
+       125          12.50      34.324     -18.586      15.738       1.774     338.882     300.000       7.691    0      -40.151      18.662     -19.295     -16.103      54.191       7.486       0.103     -13.039       0.000       0.000      13.745       4.795       8.435       0.000       0.000       0.000       0.000       7.116     -27.294       0.000
+       126          12.60      32.107     -16.582      15.525       2.222     316.998     300.000       7.687    0      -40.006      18.786     -19.404     -16.099      54.466       7.490       0.097     -13.098       0.000       0.000      13.754       4.828       8.391       0.000       0.000       0.000       0.000       8.761     -27.362       0.000
+       127          12.70      27.918     -12.208      15.710       1.593     275.636     300.000       7.683    0      -39.865      18.855     -19.519     -16.184      55.493       7.499       0.087     -13.149       0.000       0.000      13.750       4.830       8.341       0.000       0.000       0.000       0.000      12.900     -27.395       0.000
+       128          12.80      26.643     -10.624      16.019       0.972     263.048     300.000       7.681    0      -39.753      18.866     -19.634     -16.341      57.160       7.504       0.080     -13.193       0.000       0.000      13.735       4.800       8.298       0.000       0.000       0.000       0.000      14.408     -27.387       0.000
+       129          12.90      28.936     -12.797      16.138       0.451     285.683     300.000       7.680    0      -39.683      18.844     -19.755     -16.575      59.020       7.496       0.083     -13.234       0.000       0.000      13.720       4.748       8.276       0.000       0.000       0.000       0.000      12.351     -27.340       0.000
+       130          13.00      31.133     -15.049      16.084       0.989     307.375     300.000       7.679    0      -39.649      18.825     -19.890     -16.856      60.584       7.474       0.099     -13.282       0.000       0.000      13.712       4.696       8.284       0.000       0.000       0.000       0.000      10.361     -27.275       0.000
+       131          13.10      30.621     -14.494      16.128       1.279     302.323     300.000       7.678    0      -39.634      18.836     -20.042     -17.105      61.578       7.442       0.125     -13.349       0.000       0.000      13.715       4.663       8.323       0.000       0.000       0.000       0.000      11.186     -27.223       0.000
+       132          13.20      29.184     -12.842      16.341       1.923     288.130     300.000       7.677    0      -39.631      18.895     -20.207     -17.256      62.004       7.404       0.154     -13.443       0.000       0.000      13.729       4.658       8.388       0.000       0.000       0.000       0.000      12.992     -27.221       0.000
+       133          13.30      29.884     -13.452      16.432       2.361     295.050     300.000       7.673    0      -39.638      19.009     -20.373     -17.297      62.095       7.370       0.182     -13.565       0.000       0.000      13.758       4.678       8.464       0.000       0.000       0.000       0.000      12.356     -27.295       0.000
+       134          13.40      32.064     -15.860      16.204       1.812     316.571     300.000       7.668    0      -39.651      19.173     -20.528     -17.247      62.172       7.344       0.204     -13.709       0.000       0.000      13.800       4.712       8.535       0.000       0.000       0.000       0.000       9.729     -27.445       0.000
+       135          13.50      32.031     -16.093      15.938       1.792     316.243     300.000       7.662    0      -39.666      19.366     -20.661     -17.154      62.445       7.331       0.218     -13.862       0.000       0.000      13.848       4.741       8.590       0.000       0.000       0.000       0.000       9.153     -27.639       0.000
+       136          13.60      28.875     -12.816      16.059       1.241     285.086     300.000       7.657    0      -39.681      19.552     -20.763     -17.091      62.795       7.329       0.223     -14.005       0.000       0.000      13.899       4.747       8.623       0.000       0.000       0.000       0.000      12.140     -27.831       0.000
+       137          13.70      26.678     -10.162      16.516       1.101     263.397     300.000       7.653    0      -39.709      19.694     -20.832     -17.116      62.838       7.335       0.224     -14.125       0.000       0.000      13.950       4.719       8.637       0.000       0.000       0.000       0.000      14.761     -27.982       0.000
+       138          13.80      29.224     -12.480      16.743       0.691     288.526     300.000       7.651    0      -39.762      19.774     -20.877     -17.238      62.580       7.343       0.226     -14.214       0.000       0.000      14.009       4.660       8.643       0.000       0.000       0.000       0.000      12.714     -28.071       0.000
+       139          13.90      34.012     -17.609      16.403       0.645     335.797     300.000       7.650    0      -39.815      19.804     -20.924     -17.408      62.376       7.351       0.230     -14.282       0.000       0.000      14.081       4.587       8.651       0.000       0.000       0.000       0.000       7.989     -28.102       0.000
+       140          14.00      34.877     -18.968      15.910       2.282     344.344     300.000       7.651    0      -39.825      19.818     -21.008     -17.567      62.241       7.357       0.237     -14.347       0.000       0.000      14.164       4.522       8.667       0.000       0.000       0.000       0.000       6.973     -28.102       0.000
+       141          14.10      30.701     -14.845      15.856       2.772     303.113     300.000       7.652    0      -39.793      19.860     -21.154     -17.677      61.887       7.362       0.245     -14.434       0.000       0.000      14.255       4.485       8.695       0.000       0.000       0.000       0.000      11.317     -28.110       0.000
+       142          14.20      27.171     -11.001      16.169       1.497     268.257     300.000       7.650    0      -39.755      19.962     -21.367     -17.741      61.150       7.368       0.253     -14.560       0.000       0.000      14.348       4.482       8.731       0.000       0.000       0.000       0.000      15.295     -28.165       0.000
+       143          14.30      28.658     -12.369      16.289       0.401     282.941     300.000       7.647    0      -39.736      20.134     -21.631     -17.773      60.159       7.376       0.260     -14.732       0.000       0.000      14.436       4.507       8.770       0.000       0.000       0.000       0.000      13.993     -28.297       0.000
+       144          14.40      32.143     -16.087      16.056       0.980     317.349     300.000       7.641    0      -39.718      20.356     -21.906     -17.743      59.147       7.385       0.268     -14.939       0.000       0.000      14.513       4.542       8.806       0.000       0.000       0.000       0.000      10.214     -28.511       0.000
+       145          14.50      32.335     -16.423      15.912       0.979     319.245     300.000       7.635    0      -39.666      20.592     -22.147     -17.665      58.296       7.394       0.277     -15.158       0.000       0.000      14.579       4.557       8.841       0.000       0.000       0.000       0.000       9.687     -28.781       0.000
+       146          14.60      29.950     -13.852      16.098       0.985     295.695     300.000       7.629    0      -39.557      20.795     -22.316     -17.672      57.095       7.399       0.292     -15.363       0.000       0.000      14.643       4.529       8.881       0.000       0.000       0.000       0.000      12.208     -29.069       0.000
+       147          14.70      29.887     -13.692      16.195       1.894     295.072     300.000       7.625    0      -39.391      20.933     -22.400     -17.875      54.656       7.399       0.313     -15.538       0.000       0.000      14.717       4.446       8.937       0.000       0.000       0.000       0.000      12.774     -29.342       0.000
+       148          14.80      32.626     -16.773      15.853       1.458     322.115     300.000       7.622    0      -39.172      21.001     -22.415     -18.143      51.697       7.395       0.340     -15.681       0.000       0.000      14.806       4.318       9.010       0.000       0.000       0.000       0.000      10.293     -29.583       0.000
+       149          14.90      33.054     -17.622      15.432       1.330     326.341     300.000       7.622    0      -38.925      21.031     -22.409     -18.169      49.676       7.393       0.370     -15.805       0.000       0.000      14.904       4.175       9.093       0.000       0.000       0.000       0.000       9.621     -29.793       0.000
+       150          15.00      29.171     -13.634      15.537       0.994     288.007     300.000       7.621    0      -38.714      21.079     -22.433     -17.873      49.403       7.396       0.398     -15.934       0.000       0.000      15.002       4.050       9.175       0.000       0.000       0.000       0.000      13.140     -29.983       0.000
+       151          15.10      26.235     -10.171      16.063       0.816     259.015     300.000       7.621    0      -38.626      21.198     -22.527     -17.518      50.447       7.404       0.422     -16.089       0.000       0.000      15.096       3.966       9.244       0.000       0.000       0.000       0.000      15.901     -30.170       0.000
+       152          15.20      29.216     -12.934      16.282       0.523     288.446     300.000       7.619    0      -38.698      21.411     -22.708     -17.388      51.559       7.416       0.443     -16.279       0.000       0.000      15.181       3.933       9.296       0.000       0.000       0.000       0.000      12.751     -30.356       0.000
+       153          15.30      34.855     -19.000      15.855       0.977     344.123     300.000       7.616    0      -38.865      21.704     -22.965     -17.525      51.823       7.430       0.459     -16.498       0.000       0.000      15.252       3.942       9.327       0.000       0.000       0.000       0.000       6.757     -30.531       0.000
+       154          15.40      35.803     -20.509      15.293       1.655     353.480     300.000       7.613    0      -39.011      22.020     -23.262     -17.773      51.169       7.447       0.470     -16.726       0.000       0.000      15.304       3.967       9.336       0.000       0.000       0.000       0.000       5.549     -30.676       0.000
+       155          15.50      31.096     -15.899      15.196       1.303     307.008     300.000       7.610    0      -39.067      22.287     -23.547     -18.017      49.897       7.465       0.478     -16.937       0.000       0.000      15.340       3.979       9.332       0.000       0.000       0.000       0.000      10.529     -30.779       0.000
+       156          15.60      27.088     -11.606      15.482       0.824     267.438     300.000       7.608    0      -39.026      22.448     -23.776     -18.255      48.064       7.482       0.487     -17.115       0.000       0.000      15.367       3.952       9.321       0.000       0.000       0.000       0.000      15.324     -30.842       0.000
+       157          15.70      28.397     -12.781      15.615       1.191     280.360     300.000       7.607    0      -38.901      22.492     -23.931     -18.404      45.296       7.498       0.502     -17.258       0.000       0.000      15.388       3.879       9.312       0.000       0.000       0.000       0.000      14.777     -30.883       0.000
+       158          15.80      32.154     -16.729      15.425       1.422     317.456     300.000       7.606    0      -38.692      22.462     -24.032     -18.290      42.351       7.515       0.522     -17.382       0.000       0.000      15.401       3.778       9.307       0.000       0.000       0.000       0.000      11.184     -30.930       0.000
+       159          15.90      33.100     -17.871      15.229       1.294     326.795     300.000       7.605    0      -38.399      22.437     -24.128     -17.918      40.947       7.533       0.544     -17.513       0.000       0.000      15.406       3.680       9.301       0.000       0.000       0.000       0.000       9.722     -31.010       0.000
+       160          16.00      31.102     -15.871      15.231       0.897     307.076     300.000       7.602    0      -38.068      22.487     -24.269     -17.560      40.956       7.551       0.565     -17.677       0.000       0.000      15.402       3.615       9.295       0.000       0.000       0.000       0.000      11.014     -31.134       0.000
+       161          16.10      29.896     -14.626      15.270       0.878     295.164     300.000       7.598    0      -37.785      22.649     -24.498     -17.467      40.755       7.568       0.583     -17.887       0.000       0.000      15.397       3.594       9.293       0.000       0.000       0.000       0.000      11.794     -31.298       0.000
+       162          16.20      31.032     -15.867      15.166       0.798     306.383     300.000       7.593    0      -37.613      22.912     -24.828     -17.627      39.702       7.582       0.597     -18.145       0.000       0.000      15.391       3.611       9.300       0.000       0.000       0.000       0.000      10.541     -31.476       0.000
+       163          16.30      32.448     -17.494      14.953       1.437     320.359     300.000       7.588    0      -37.571      23.223     -25.242     -17.794      38.597       7.595       0.606     -18.433       0.000       0.000      15.385       3.646       9.315       0.000       0.000       0.000       0.000       9.058     -31.633       0.000
+       164          16.40      32.107     -17.344      14.764       1.181     316.995     300.000       7.584    0      -37.660      23.507     -25.690     -17.757      38.466       7.610       0.611     -18.721       0.000       0.000      15.375       3.676       9.335       0.000       0.000       0.000       0.000       9.212     -31.743       0.000
+       165          16.50      30.281     -15.589      14.692       0.920     298.969     300.000       7.581    0      -37.868      23.699     -26.103     -17.569      39.676       7.627       0.617     -18.978       0.000       0.000      15.351       3.683       9.351       0.000       0.000       0.000       0.000      10.884     -31.800       0.000
+       166          16.60      28.511     -13.713      14.799       0.815     281.493     300.000       7.580    0      -38.147      23.771     -26.417     -17.449      41.635       7.645       0.630     -19.181       0.000       0.000      15.302       3.657       9.351       0.000       0.000       0.000       0.000      12.876     -31.825       0.000
+       167          16.70      28.144     -13.116      15.028       0.971     277.863     300.000       7.581    0      -38.439      23.748     -26.595     -17.518      43.507       7.664       0.655     -19.324       0.000       0.000      15.215       3.607       9.324       0.000       0.000       0.000       0.000      13.910     -31.846       0.000
+       168          16.80      29.611     -14.405      15.206       1.220     292.349     300.000       7.582    0      -38.723      23.688     -26.651     -17.704      45.136       7.685       0.691     -19.420       0.000       0.000      15.091       3.556       9.263       0.000       0.000       0.000       0.000      13.180     -31.881       0.000
+       169          16.90      31.999     -16.843      15.156       0.747     315.928     300.000       7.582    0      -39.001      23.656     -26.640     -17.901      46.677       7.708       0.734     -19.493       0.000       0.000      14.949       3.529       9.171       0.000       0.000       0.000       0.000      11.188     -31.929       0.000
+       170          17.00      33.479     -18.567      14.912       0.947     330.535     300.000       7.582    0      -39.275      23.690     -26.637     -18.065      48.096       7.734       0.778     -19.572       0.000       0.000      14.816       3.540       9.063       0.000       0.000       0.000       0.000       9.729     -31.972       0.000
+       171          17.10      33.098     -18.439      14.659       0.727     326.778     300.000       7.581    0      -39.527      23.791     -26.712     -18.157      49.067       7.758       0.814     -19.678       0.000       0.000      14.724       3.582       8.960       0.000       0.000       0.000       0.000       9.992     -31.988       0.000
+       172          17.20      31.780     -17.300      14.480       0.672     313.770     300.000       7.579    0      -39.738      23.925     -26.901     -18.120      49.177       7.777       0.837     -19.823       0.000       0.000      14.689       3.638       8.885       0.000       0.000       0.000       0.000      11.224     -31.961       0.000
+       173          17.30      30.875     -16.519      14.356       1.139     304.828     300.000       7.577    0      -39.895      24.046     -27.205     -17.939      48.297       7.789       0.844     -20.006       0.000       0.000      14.713       3.687       8.851       0.000       0.000       0.000       0.000      12.151     -31.883       0.000
+       174          17.40      30.736     -16.436      14.300       0.774     303.460     300.000       7.575    0      -40.003      24.119     -27.584     -17.694      47.163       7.793       0.838     -20.213       0.000       0.000      14.784       3.714       8.859       0.000       0.000       0.000       0.000      12.452     -31.767       0.000
+       175          17.50      31.271     -16.997      14.274       0.851     308.739     300.000       7.574    0      -40.078      24.132     -27.970     -17.503      46.759       7.793       0.825     -20.423       0.000       0.000      14.876       3.715       8.897       0.000       0.000       0.000       0.000      12.153     -31.658       0.000
+       176          17.60      32.337     -18.206      14.131       1.798     319.268     300.000       7.572    0      -40.145      24.098     -28.287     -17.462      46.879       7.793       0.811     -20.614       0.000       0.000      14.956       3.698       8.943       0.000       0.000       0.000       0.000      11.336     -31.632       0.000
+       177          17.70      33.206     -19.317      13.888       1.648     327.841     300.000       7.571    0      -40.221      24.052     -28.479     -17.583      46.919       7.795       0.802     -20.772       0.000       0.000      15.002       3.677       8.976       0.000       0.000       0.000       0.000      10.769     -31.758       0.000
+       178          17.80      33.387     -19.743      13.644       1.164     329.629     300.000       7.568    0      -40.299      24.037     -28.534     -17.793      46.445       7.799       0.802     -20.895       0.000       0.000      15.007       3.670       8.979       0.000       0.000       0.000       0.000      10.918     -32.056       0.000
+       179          17.90      33.439     -20.073      13.366       1.146     330.147     300.000       7.565    0      -40.373      24.081     -28.496     -18.035      46.232       7.806       0.814     -20.997       0.000       0.000      14.986       3.688       8.946       0.000       0.000       0.000       0.000      10.953     -32.465       0.000
+       180          18.00      33.692     -20.700      12.992       1.084     332.646     300.000       7.560    0      -40.443      24.184     -28.440     -18.226      47.259       7.815       0.833     -21.097       0.000       0.000      14.960       3.733       8.883       0.000       0.000       0.000       0.000      10.276     -32.880       0.000
+       181          18.10      33.327     -20.717      12.609       0.925     329.034     300.000       7.556    0      -40.513      24.321     -28.436     -18.242      48.829       7.825       0.852     -21.211       0.000       0.000      14.957       3.788       8.808       0.000       0.000       0.000       0.000       9.891     -33.211       0.000
+       182          18.20      31.839     -19.449      12.390       2.252     314.344     300.000       7.551    0      -40.576      24.449     -28.530     -18.078      49.987       7.833       0.865     -21.352       0.000       0.000      14.990       3.829       8.735       0.000       0.000       0.000       0.000      10.752     -33.410       0.000
+       183          18.30      30.424     -18.060      12.365       1.677     300.379     300.000       7.549    0      -40.621      24.542     -28.730     -17.862      50.630       7.837       0.869     -21.519       0.000       0.000      15.065       3.841       8.679       0.000       0.000       0.000       0.000      11.919     -33.470       0.000
+       184          18.40      30.635     -18.290      12.346       0.815     302.464     300.000       7.548    0      -40.643      24.594     -29.017     -17.756      51.371       7.835       0.864     -21.709       0.000       0.000      15.175       3.824       8.647       0.000       0.000       0.000       0.000      11.719     -33.411       0.000
+       185          18.50      32.025     -19.857      12.168       0.976     316.184     300.000       7.548    0      -40.648      24.625     -29.351     -17.882      53.436       7.828       0.858     -21.910       0.000       0.000      15.307       3.794       8.637       0.000       0.000       0.000       0.000      10.284     -33.274       0.000
+       186          18.60      32.510     -20.553      11.957       1.249     320.977     300.000       7.548    0      -40.647      24.662     -29.677     -18.181      56.997       7.820       0.856     -22.109       0.000       0.000      15.448       3.773       8.643       0.000       0.000       0.000       0.000       9.617     -33.127       0.000
+       187          18.70      31.432     -19.573      11.859       0.838     310.325     300.000       7.548    0      -40.660      24.726     -29.949     -18.439      59.900       7.815       0.862     -22.296       0.000       0.000      15.587       3.778       8.651       0.000       0.000       0.000       0.000      10.567     -33.045       0.000
+       188          18.80      30.555     -18.696      11.859       1.447     301.668     300.000       7.548    0      -40.710      24.819     -30.142     -18.534      61.553       7.814       0.875     -22.469       0.000       0.000      15.718       3.814       8.647       0.000       0.000       0.000       0.000      11.321     -33.074       0.000
+       189          18.90      31.072     -19.357      11.715       0.914     306.779     300.000       7.546    0      -40.801      24.929     -30.260     -18.483      62.375       7.819       0.891     -22.626       0.000       0.000      15.841       3.875       8.620       0.000       0.000       0.000       0.000      10.441     -33.202       0.000
+       190          19.00      31.316     -19.817      11.499       1.410     309.181     300.000       7.544    0      -40.895      25.043     -30.334     -18.279      62.664       7.831       0.903     -22.770       0.000       0.000      15.956       3.944       8.568       0.000       0.000       0.000       0.000       9.636     -33.366       0.000
+       191          19.10      29.594     -18.081      11.514       1.175     292.183     300.000       7.541    0      -40.947      25.148     -30.398     -17.932      62.448       7.848       0.906     -22.908       0.000       0.000      16.068       3.998       8.491       0.000       0.000       0.000       0.000      10.939     -33.499       0.000
+       192          19.20      27.579     -15.760      11.820       1.084     272.293     300.000       7.540    0      -40.948      25.231     -30.484     -17.592      62.484       7.867       0.897     -23.044       0.000       0.000      16.183       4.018       8.397       0.000       0.000       0.000       0.000      12.852     -33.568       0.000
+       193          19.30      28.120     -16.035      12.085       0.751     277.634     300.000       7.539    0      -40.925      25.288     -30.615     -17.450      63.285       7.885       0.878     -23.186       0.000       0.000      16.303       3.999       8.299       0.000       0.000       0.000       0.000      12.390     -33.575       0.000
+       194          19.40      30.688     -18.620      12.068       0.901     302.982     300.000       7.538    0      -40.907      25.336     -30.799     -17.557      64.575       7.899       0.854     -23.340       0.000       0.000      16.426       3.959       8.210       0.000       0.000       0.000       0.000       9.928     -33.547       0.000
+       195          19.50      31.938     -19.988      11.950       1.245     315.325     300.000       7.538    0      -40.915      25.407     -31.036     -17.783      65.953       7.906       0.834     -23.512       0.000       0.000      16.540       3.927       8.143       0.000       0.000       0.000       0.000       8.826     -33.517       0.000
+       196          19.60      30.909     -18.907      12.002       1.752     305.166     300.000       7.538    0      -40.966      25.526     -31.319     -17.998      67.129       7.909       0.824     -23.708       0.000       0.000      16.632       3.933       8.100       0.000       0.000       0.000       0.000      10.139     -33.508       0.000
+       197          19.70      30.441     -18.341      12.100       1.182     300.547     300.000       7.537    0      -41.071      25.694     -31.636     -18.242      67.819       7.909       0.828     -23.925       0.000       0.000      16.690       3.992       8.070       0.000       0.000       0.000       0.000      10.975     -33.530       0.000
+       198          19.80      32.302     -20.399      11.903       1.073     318.917     300.000       7.536    0      -41.228      25.895     -31.967     -18.617      67.765       7.910       0.843     -24.155       0.000       0.000      16.707       4.097       8.035       0.000       0.000       0.000       0.000       9.403     -33.574       0.000
+       199          19.90      33.832     -22.367      11.464       0.780     334.020     300.000       7.535    0      -41.409      26.102     -32.290     -19.071      66.894       7.918       0.866     -24.379       0.000       0.000      16.682       4.224       7.975       0.000       0.000       0.000       0.000       8.118     -33.617       0.000
+       200          20.00      32.122     -20.877      11.245       1.835     317.144     300.000       7.533    0      -41.573      26.287     -32.586     -19.422      65.505       7.932       0.892     -24.580       0.000       0.000      16.617       4.342       7.875       0.000       0.000       0.000       0.000      10.267     -33.624       0.000
+       201          20.10      29.223     -17.818      11.404       1.893     288.517     300.000       7.533    0      -41.701      26.419     -32.846     -19.568      64.218       7.953       0.916     -24.746       0.000       0.000      16.531       4.423       7.736       0.000       0.000       0.000       0.000      13.803     -33.566       0.000
+       202          20.20      29.471     -17.918      11.554       1.649     290.972     300.000       7.532    0      -41.804      26.481     -33.071     -19.575      63.513       7.977       0.935     -24.878       0.000       0.000      16.451       4.460       7.573       0.000       0.000       0.000       0.000      14.053     -33.435       0.000
+       203          20.30      32.985     -21.645      11.340       1.200     325.658     300.000       7.532    0      -41.906      26.490     -33.271     -19.548      63.310       8.000       0.947     -24.985       0.000       0.000      16.401       4.463       7.412       0.000       0.000       0.000       0.000      10.663     -33.248       0.000
+       204          20.40      35.505     -24.624      10.881       1.103     350.545     300.000       7.533    0      -42.006      26.487     -33.455     -19.529      63.323       8.020       0.954     -25.084       0.000       0.000      16.394       4.463       7.279       0.000       0.000       0.000       0.000       7.991     -33.045       0.000
+       205          20.50      34.513     -24.013      10.499       1.102     340.744     300.000       7.534    0      -42.080      26.514     -33.633     -19.549      63.379       8.036       0.961     -25.189       0.000       0.000      16.420       4.483       7.185       0.000       0.000       0.000       0.000       8.806     -32.874       0.000
+       206          20.60      31.968     -21.682      10.286       0.807     315.621     300.000       7.535    0      -42.113      26.587     -33.808     -19.653      63.063       8.051       0.971     -25.310       0.000       0.000      16.462       4.533       7.124       0.000       0.000       0.000       0.000      11.306     -32.778       0.000
+       207          20.70      30.815     -20.658      10.157       0.986     304.240     300.000       7.537    0      -42.112      26.695     -33.977     -19.833      62.610       8.067       0.986     -25.446       0.000       0.000      16.494       4.605       7.080       0.000       0.000       0.000       0.000      12.461     -32.780       0.000
+       208          20.80      31.557     -21.548      10.009       1.637     311.560     300.000       7.538    0      -42.089      26.811     -34.136     -20.008      62.813       8.085       1.007     -25.586       0.000       0.000      16.488       4.680       7.033       0.000       0.000       0.000       0.000      11.544     -32.874       0.000
+       209          20.90      32.703     -22.905       9.798       1.419     322.875     300.000       7.540    0      -42.074      26.903     -34.282     -20.119      64.154       8.104       1.032     -25.720       0.000       0.000      16.427       4.738       6.970       0.000       0.000       0.000       0.000       9.986     -33.032       0.000
+       210          21.00      32.910     -23.365       9.544       1.681     324.919     300.000       7.542    0      -42.089      26.961     -34.418     -20.192      66.166       8.124       1.058     -25.843       0.000       0.000      16.307       4.768       6.884       0.000       0.000       0.000       0.000       9.325     -33.210       0.000
+       211          21.10      31.958     -22.616       9.342       1.294     315.520     300.000       7.543    0      -42.149      27.000     -34.565     -20.276      67.655       8.143       1.082     -25.962       0.000       0.000      16.141       4.776       6.783       0.000       0.000       0.000       0.000      10.124     -33.359       0.000
+       212          21.20      30.807     -21.498       9.309       1.025     304.158     300.000       7.544    0      -42.268      27.051     -34.748     -20.383      68.088       8.160       1.102     -26.092       0.000       0.000      15.952       4.783       6.678       0.000       0.000       0.000       0.000      11.591     -33.441       0.000
+       213          21.30      31.173     -21.853       9.320       1.002     307.772     300.000       7.544    0      -42.437      27.139     -34.984     -20.510      68.012       8.176       1.115     -26.248       0.000       0.000      15.767       4.810       6.580       0.000       0.000       0.000       0.000      11.713     -33.438       0.000
+       214          21.40      33.377     -24.315       9.062       0.715     329.534     300.000       7.543    0      -42.610      27.268     -35.275     -20.673      68.407       8.194       1.126     -26.435       0.000       0.000      15.608       4.867       6.495       0.000       0.000       0.000       0.000       9.614     -33.354       0.000
+       215          21.50      34.758     -26.209       8.549       1.770     343.167     300.000       7.541    0      -42.731      27.425     -35.600     -20.850      69.287       8.218       1.136     -26.648       0.000       0.000      15.486       4.949       6.422       0.000       0.000       0.000       0.000       7.866     -33.220       0.000
+       216          21.60      32.697     -24.488       8.209       1.937     322.821     300.000       7.539    0      -42.769      27.585     -35.927     -20.933      69.931       8.250       1.149     -26.869       0.000       0.000      15.402       5.037       6.357       0.000       0.000       0.000       0.000       9.512     -33.084       0.000
+       217          21.70      29.119     -20.787       8.333       1.571     287.496     300.000       7.537    0      -42.728      27.717     -36.222     -20.853      70.346       8.287       1.165     -27.082       0.000       0.000      15.343       5.113       6.291       0.000       0.000       0.000       0.000      12.905     -32.989       0.000
+       218          21.80      28.721     -20.177       8.544       1.022     283.563     300.000       7.535    0      -42.632      27.799     -36.461     -20.675      70.139       8.324       1.184     -27.270       0.000       0.000      15.293       5.167       6.216       0.000       0.000       0.000       0.000      13.197     -32.962       0.000
+       219          21.90      32.224     -23.838       8.386       0.850     318.149     300.000       7.533    0      -42.514      27.837     -36.642     -20.489      69.012       8.357       1.205     -27.433       0.000       0.000      15.239       5.200       6.128       0.000       0.000       0.000       0.000       9.404     -33.004       0.000
+       220          22.00      35.059     -27.110       7.949       0.894     346.135     300.000       7.532    0      -42.407      27.859     -36.786     -20.293      66.956       8.383       1.222     -27.579       0.000       0.000      15.178       5.228       6.030       0.000       0.000       0.000       0.000       6.188     -33.090       0.000
+       221          22.10      33.993     -26.370       7.622       0.781     335.610     300.000       7.530    0      -42.324      27.901     -36.931     -20.070      64.367       8.407       1.231     -27.726       0.000       0.000      15.113       5.267       5.930       0.000       0.000       0.000       0.000       7.041     -33.181       0.000
+       222          22.20      31.099     -23.604       7.495       2.298     307.045     300.000       7.529    0      -42.242      27.987     -37.109     -19.884      62.069       8.432       1.230     -27.887       0.000       0.000      15.049       5.322       5.837       0.000       0.000       0.000       0.000       9.857     -33.240       0.000
+       223          22.30      29.615     -22.193       7.422       2.363     292.389     300.000       7.529    0      -42.111      28.120     -37.330     -19.831      60.746       8.458       1.219     -28.068       0.000       0.000      14.991       5.386       5.756       0.000       0.000       0.000       0.000      11.192     -33.248       0.000
+       224          22.40      29.685     -22.289       7.395       1.856     293.080     300.000       7.529    0      -41.905      28.282     -37.578     -19.920      60.307       8.488       1.201     -28.258       0.000       0.000      14.933       5.438       5.691       0.000       0.000       0.000       0.000      10.918     -33.212       0.000
+       225          22.50      29.968     -22.497       7.471       0.884     295.874     300.000       7.530    0      -41.667      28.439     -37.819     -20.017      59.957       8.520       1.183     -28.438       0.000       0.000      14.863       5.457       5.643       0.000       0.000       0.000       0.000      10.526     -33.164       0.000
+       226          22.60      30.384     -22.836       7.548       0.536     299.984     300.000       7.531    0      -41.476      28.559     -38.019     -19.980      58.884       8.553       1.167     -28.587       0.000       0.000      14.765       5.434       5.609       0.000       0.000       0.000       0.000      10.111     -33.147       0.000
+       227          22.70      31.183     -23.713       7.470       1.257     307.872     300.000       7.532    0      -41.368      28.638     -38.166     -19.806      56.750       8.587       1.155     -28.700       0.000       0.000      14.624       5.384       5.581       0.000       0.000       0.000       0.000       9.348     -33.186       0.000
+       228          22.80      31.382     -24.051       7.331       1.199     309.840     300.000       7.532    0      -41.316      28.702     -38.282     -19.563      54.154       8.622       1.145     -28.790       0.000       0.000      14.436       5.338       5.549       0.000       0.000       0.000       0.000       9.188     -33.273       0.000
+       229          22.90      30.429     -23.090       7.338       1.254     300.425     300.000       7.531    0      -41.289      28.784     -38.414     -19.298      52.005       8.661       1.134     -28.887       0.000       0.000      14.211       5.333       5.507       0.000       0.000       0.000       0.000      10.187     -33.378       0.000
+       230          23.00      29.739     -22.320       7.419       1.558     293.612     300.000       7.529    0      -41.281      28.904     -38.603     -19.050      50.758       8.707       1.117     -29.017       0.000       0.000      13.973       5.390       5.449       0.000       0.000       0.000       0.000      10.794     -33.469       0.000
+       231          23.10      30.212     -22.855       7.356       1.178     298.281     300.000       7.526    0      -41.280      29.059     -38.864     -18.863      50.697       8.761       1.094     -29.189       0.000       0.000      13.753       5.502       5.372       0.000       0.000       0.000       0.000       9.901     -33.521       0.000
+       232          23.20      30.218     -22.952       7.267       2.151     298.348     300.000       7.524    0      -41.249      29.233     -39.168     -18.779      51.874       8.824       1.066     -29.388       0.000       0.000      13.574       5.643       5.274       0.000       0.000       0.000       0.000       9.277     -33.527       0.000
+       233          23.30      28.671     -21.232       7.439       1.845     283.065     300.000       7.521    0      -41.178      29.396     -39.458     -18.796      53.514       8.892       1.040     -29.579       0.000       0.000      13.444       5.773       5.155       0.000       0.000       0.000       0.000      10.463     -33.494       0.000
+       234          23.40      27.679     -19.900       7.779       0.784     273.272     300.000       7.520    0      -41.123      29.507     -39.669     -18.839      54.250       8.961       1.023     -29.720       0.000       0.000      13.362       5.864       5.020       0.000       0.000       0.000       0.000      11.520     -33.444       0.000
+       235          23.50      29.221     -21.281       7.940       0.828     288.498     300.000       7.520    0      -41.110      29.535     -39.754     -18.821      53.012       9.023       1.018     -29.777       0.000       0.000      13.313       5.905       4.881       0.000       0.000       0.000       0.000      10.251     -33.397       0.000
+       236          23.60      31.426     -23.624       7.801       0.987     310.266     300.000       7.520    0      -41.068      29.490     -39.714     -18.701      49.205       9.075       1.027     -29.743       0.000       0.000      13.279       5.911       4.749       0.000       0.000       0.000       0.000       8.323     -33.365       0.000
+       237          23.70      31.167     -23.439       7.728       0.804     307.711     300.000       7.521    0      -40.938      29.416     -39.598     -18.502      45.036       9.119       1.046     -29.640       0.000       0.000      13.235       5.915       4.631       0.000       0.000       0.000       0.000       8.733     -33.336       0.000
+       238          23.80      29.077     -21.161       7.915       2.427     287.076     300.000       7.523    0      -40.767      29.355     -39.488     -18.322      42.456       9.162       1.070     -29.515       0.000       0.000      13.150       5.951       4.529       0.000       0.000       0.000       0.000      10.851     -33.277       0.000
+       239          23.90      28.706     -20.561       8.145       1.419     283.416     300.000       7.524    0      -40.650      29.325     -39.465     -18.290      41.059       9.209       1.094     -29.413       0.000       0.000      13.003       6.037       4.439       0.000       0.000       0.000       0.000      11.263     -33.157       0.000
+       240          24.00      31.128     -23.028       8.101       1.097     307.329     300.000       7.526    0      -40.616      29.319     -39.573     -18.452      39.795       9.265       1.113     -29.367       0.000       0.000      12.784       6.167       4.357       0.000       0.000       0.000       0.000       8.913     -32.956       0.000
+       241          24.10      33.325     -25.514       7.811       0.912     329.017     300.000       7.528    0      -40.624      29.330     -39.802     -18.725      38.334       9.327       1.125     -29.379       0.000       0.000      12.508       6.311       4.278       0.000       0.000       0.000       0.000       6.819     -32.688       0.000
+       242          24.20      32.528     -24.962       7.565       0.841     321.148     300.000       7.530    0      -40.626      29.345     -40.092     -18.986      36.630       9.394       1.125     -29.429       0.000       0.000      12.206       6.429       4.201       0.000       0.000       0.000       0.000       7.888     -32.401       0.000
+       243          24.30      29.676     -22.143       7.532       2.539     292.988     300.000       7.533    0      -40.594      29.342     -40.366     -19.175      34.920       9.463       1.114     -29.487       0.000       0.000      11.916       6.496       4.130       0.000       0.000       0.000       0.000      11.214     -32.148       0.000
+       244          24.40      27.514     -19.824       7.690       1.609     271.647     300.000       7.535    0      -40.511      29.314     -40.577     -19.314      34.113       9.537       1.095     -29.531       0.000       0.000      11.676       6.515       4.065       0.000       0.000       0.000       0.000      13.833     -31.944       0.000
+       245          24.50      27.251     -19.328       7.924       1.252     269.052     300.000       7.536    0      -40.401      29.288     -40.725     -19.445      34.685       9.618       1.072     -29.559       0.000       0.000      11.512       6.518       4.006       0.000       0.000       0.000       0.000      14.311     -31.762       0.000
+       246          24.60      28.071     -19.891       8.180       1.264     277.146     300.000       7.535    0      -40.325      29.318     -40.849     -19.562      36.800       9.705       1.053     -29.588       0.000       0.000      11.430       6.543       3.946       0.000       0.000       0.000       0.000      13.335     -31.572       0.000
+       247          24.70      28.990     -20.581       8.409       0.837     286.216     300.000       7.533    0      -40.334      29.448     -40.993     -19.615      40.131       9.792       1.037     -29.643       0.000       0.000      11.417       6.618       3.879       0.000       0.000       0.000       0.000      11.846     -31.369       0.000
+       248          24.80      29.743     -21.203       8.540       0.556     293.653     300.000       7.529    0      -40.428      29.688     -41.197     -19.554      43.375       9.871       1.023     -29.745       0.000       0.000      11.451       6.745       3.796       0.000       0.000       0.000       0.000      10.236     -31.155       0.000
+       249          24.90      29.914     -21.380       8.534       1.628     295.343     300.000       7.525    0      -40.557      30.004     -41.482     -19.341      44.794       9.934       1.009     -29.901       0.000       0.000      11.503       6.903       3.692       0.000       0.000       0.000       0.000       9.191     -30.919       0.000
+       250          25.00      28.757     -20.152       8.605       2.036     283.921     300.000       7.521    0      -40.649      30.330     -41.841     -19.016      45.028       9.980       0.993     -30.104       0.000       0.000      11.556       7.059       3.570       0.000       0.000       0.000       0.000       9.670     -30.634       0.000
+       251          25.10      26.746     -17.853       8.893       1.850     264.060     300.000       7.518    0      -40.647      30.605     -42.234     -18.723      44.951      10.010       0.979     -30.325       0.000       0.000      11.603       7.179       3.442       0.000       0.000       0.000       0.000      11.380     -30.292       0.000
+       252          25.20      25.564     -16.239       9.325       1.596     252.396     300.000       7.516    0      -40.539      30.789     -42.597     -18.605      44.715      10.032       0.970     -30.527       0.000       0.000      11.644       7.244       3.325       0.000       0.000       0.000       0.000      12.697     -29.912       0.000
+       253          25.30      26.026     -16.273       9.753       0.800     256.958     300.000       7.516    0      -40.368      30.880     -42.866     -18.716      44.543      10.053       0.968     -30.674       0.000       0.000      11.687       7.255       3.238       0.000       0.000       0.000       0.000      12.648     -29.530       0.000
+       254          25.40      27.302     -17.167      10.135       0.692     269.551     300.000       7.516    0      -40.210      30.911     -43.008     -19.010      44.410      10.079       0.970     -30.741       0.000       0.000      11.738       7.236       3.193       0.000       0.000       0.000       0.000      11.935     -29.185       0.000
+       255          25.50      28.551     -18.073      10.478       0.600     281.882     300.000       7.516    0      -40.153      30.925     -43.026     -19.366      43.766      10.115       0.972     -30.727       0.000       0.000      11.800       7.220       3.190       0.000       0.000       0.000       0.000      11.360     -28.914       0.000
+       256          25.60      30.120     -19.430      10.690       0.985     297.380     300.000       7.515    0      -40.222      30.950     -42.949     -19.661      41.972      10.160       0.968     -30.650       0.000       0.000      11.864       7.233       3.214       0.000       0.000       0.000       0.000      10.448     -28.769       0.000
+       257          25.70      31.784     -21.280      10.504       1.560     313.807     300.000       7.514    0      -40.325      30.985     -42.818     -19.791      39.846      10.210       0.955     -30.539       0.000       0.000      11.919       7.280       3.244       0.000       0.000       0.000       0.000       8.851     -28.787       0.000
+       258          25.80      31.629     -21.302      10.327       1.729     312.274     300.000       7.511    0      -40.352      31.017     -42.689     -19.643      41.737      10.259       0.931     -30.432       0.000       0.000      11.961       7.342       3.265       0.000       0.000       0.000       0.000       8.031     -28.930       0.000
+       259          25.90      28.749     -18.471      10.278       1.118     283.840     300.000       7.508    0      -40.284      31.030     -42.591     -19.247      44.341      10.302       0.900     -30.356       0.000       0.000      11.991       7.388       3.266       0.000       0.000       0.000       0.000       9.674     -29.134       0.000
+       260          26.00      24.963     -14.244      10.719       0.908     246.458     300.000       7.506    0      -40.152      31.015     -42.535     -18.850      47.367      10.337       0.867     -30.323       0.000       0.000      12.016       7.399       3.241       0.000       0.000       0.000       0.000      12.747     -29.329       0.000
+       261          26.10      23.889     -12.520      11.370       0.582     235.860     300.000       7.505    0      -39.982      30.982     -42.519     -18.748      50.451      10.365       0.841     -30.335       0.000       0.000      12.040       7.371       3.195       0.000       0.000       0.000       0.000      13.746     -29.467       0.000
+       262          26.20      26.381     -14.597      11.783       1.256     260.456     300.000       7.504    0      -39.802      30.967     -42.534     -19.040      52.749      10.391       0.827     -30.387       0.000       0.000      12.067       7.322       3.143       0.000       0.000       0.000       0.000      11.530     -29.535       0.000
+       263          26.30      28.988     -17.023      11.965       1.387     286.202     300.000       7.503    0      -39.670      31.023     -42.567     -19.527      54.516      10.419       0.825     -30.463       0.000       0.000      12.101       7.278       3.103       0.000       0.000       0.000       0.000       9.208     -29.549       0.000
+       264          26.40      28.678     -16.497      12.181       1.619     283.134     300.000       7.501    0      -39.652      31.179     -42.605     -19.868      55.684      10.448       0.833     -30.548       0.000       0.000      12.146       7.261       3.089       0.000       0.000       0.000       0.000       9.681     -29.550       0.000
+       265          26.50      26.606     -14.018      12.587       1.497     262.677     300.000       7.498    0      -39.761      31.426     -42.645     -19.920      56.281      10.475       0.843     -30.634       0.000       0.000      12.210       7.285       3.101       0.000       0.000       0.000       0.000      11.820     -29.590       0.000
+       266          26.60      25.904     -12.890      13.014       1.004     255.752     300.000       7.495    0      -39.940      31.707     -42.692     -19.782      55.820      10.492       0.850     -30.719       0.000       0.000      12.301       7.343       3.132       0.000       0.000       0.000       0.000      12.564     -29.700       0.000
+       267          26.70      26.976     -13.716      13.259       0.653     266.332     300.000       7.491    0      -40.085      31.952     -42.755     -19.513      54.922      10.490       0.849     -30.800       0.000       0.000      12.428       7.417       3.174       0.000       0.000       0.000       0.000      11.313     -29.865       0.000
+       268          26.80      27.255     -13.720      13.535       0.574     269.085     300.000       7.489    0      -40.098      32.092     -42.823     -19.108      56.574      10.464       0.842     -30.868       0.000       0.000      12.584       7.474       3.222       0.000       0.000       0.000       0.000      10.385     -30.048       0.000
+       269          26.90      25.877     -11.872      14.005       1.699     255.483     300.000       7.488    0      -39.959      32.080     -42.858     -18.721      60.565      10.418       0.831     -30.900       0.000       0.000      12.752       7.482       3.271       0.000       0.000       0.000       0.000      11.068     -30.234       0.000
+       270          27.00      24.890     -10.301      14.589       1.693     245.737     300.000       7.490    0      -39.780      31.908     -42.802     -18.601      64.342      10.365       0.825     -30.868       0.000       0.000      12.898       7.425       3.316       0.000       0.000       0.000       0.000      12.052     -30.458       0.000
+       271          27.10      25.840     -10.786      15.054       1.598     255.124     300.000       7.492    0      -39.706      31.615     -42.607     -18.781      65.516      10.322       0.826     -30.750       0.000       0.000      12.982       7.315       3.358       0.000       0.000       0.000       0.000      12.021     -30.773       0.000
+       272          27.20      27.639     -12.240      15.400       1.462     272.884     300.000       7.495    0      -39.763      31.292     -42.277     -19.034      64.504      10.304       0.835     -30.551       0.000       0.000      12.974       7.190       3.398       0.000       0.000       0.000       0.000      11.543     -31.194       0.000
+       273          27.30      28.759     -13.047      15.712       1.065     283.935     300.000       7.498    0      -39.899      31.035     -41.884     -19.173      62.770      10.320       0.848     -30.307       0.000       0.000      12.862       7.099       3.442       0.000       0.000       0.000       0.000      11.529     -31.668       0.000
+       274          27.40      29.498     -13.574      15.924       1.628     291.231     300.000       7.498    0      -40.081      30.896     -41.540     -19.272      60.672      10.364       0.858     -30.079       0.000       0.000      12.661       7.071       3.494       0.000       0.000       0.000       0.000      11.571     -32.117       0.000
+       275          27.50      30.319     -14.385      15.935       1.440     299.343     300.000       7.497    0      -40.310      30.864     -41.352     -19.410      58.885      10.423       0.862     -29.930       0.000       0.000      12.409       7.109       3.554       0.000       0.000       0.000       0.000      11.228     -32.487       0.000
+       276          27.60      30.164     -14.300      15.864       2.129     297.808     300.000       7.494    0      -40.577      30.894     -41.377     -19.410      57.959      10.478       0.853     -29.898       0.000       0.000      12.148       7.190       3.622       0.000       0.000       0.000       0.000      11.576     -32.760       0.000
+       277          27.70      28.264     -12.255      16.009       1.929     279.053     300.000       7.491    0      -40.837      30.937     -41.610     -19.066      58.073      10.518       0.833     -29.991       0.000       0.000      11.918       7.278       3.694       0.000       0.000       0.000       0.000      13.514     -32.943       0.000
+       278          27.80      26.388      -9.973      16.414       1.791     260.527     300.000       7.488    0      -41.042      30.968     -41.985     -18.516      59.148      10.537       0.807     -30.178       0.000       0.000      11.742       7.339       3.762       0.000       0.000       0.000       0.000      15.465     -33.057       0.000
+       279          27.90      26.868     -10.071      16.796       1.192     265.265     300.000       7.486    0      -41.194      30.984     -42.402     -18.063      60.705      10.544       0.785     -30.406       0.000       0.000      11.628       7.358       3.816       0.000       0.000       0.000       0.000      15.158     -33.147       0.000
+       280          28.00      29.199     -12.233      16.967       0.944     288.286     300.000       7.485    0      -41.332      31.007     -42.756     -17.822      61.981      10.548       0.776     -30.613       0.000       0.000      11.564       7.339       3.844       0.000       0.000       0.000       0.000      13.049     -33.261       0.000
+       281          28.10      30.806     -13.800      17.006       0.872     304.145     300.000       7.484    0      -41.476      31.078     -42.985     -17.840      62.497      10.562       0.784     -30.756       0.000       0.000      11.527       7.306       3.842       0.000       0.000       0.000       0.000      11.767     -33.421       0.000
+       282          28.20      30.676     -13.603      17.073       0.856     302.870     300.000       7.483    0      -41.612      31.232     -43.096     -18.139      62.473      10.590       0.806     -30.826       0.000       0.000      11.494       7.286       3.814       0.000       0.000       0.000       0.000      12.346     -33.606       0.000
+       283          28.30      30.299     -13.170      17.129       1.807     299.145     300.000       7.482    0      -41.725      31.473     -43.148     -18.618      62.466      10.624       0.837     -30.851       0.000       0.000      11.447       7.295       3.773       0.000       0.000       0.000       0.000      13.061     -33.765       0.000
+       284          28.40      30.698     -13.658      17.041       1.508     303.087     300.000       7.481    0      -41.811      31.766     -43.223     -19.065      62.625      10.652       0.869     -30.877       0.000       0.000      11.385       7.330       3.736       0.000       0.000       0.000       0.000      12.652     -33.858       0.000
+       285          28.50      30.712     -13.772      16.940       0.905     303.222     300.000       7.479    0      -41.864      32.039     -43.379     -19.207      62.591      10.660       0.895     -30.946       0.000       0.000      11.316       7.372       3.717       0.000       0.000       0.000       0.000      12.379     -33.874       0.000
+       286          28.60      29.625     -12.602      17.022       1.888     292.485     300.000       7.479    0      -41.891      32.228     -43.629     -18.925      62.152      10.644       0.909     -31.075       0.000       0.000      11.252       7.399       3.725       0.000       0.000       0.000       0.000      13.235     -33.836       0.000
+       287          28.70      28.859     -11.681      17.178       1.590     284.925     300.000       7.478    0      -41.911      32.307     -43.939     -18.374      61.416      10.609       0.907     -31.253       0.000       0.000      11.197       7.395       3.755       0.000       0.000       0.000       0.000      13.910     -33.785       0.000
+       288          28.80      29.338     -12.082      17.256       1.110     289.652     300.000       7.478    0      -41.936      32.306     -44.245     -17.765      60.712      10.573       0.893     -31.445       0.000       0.000      11.143       7.362       3.789       0.000       0.000       0.000       0.000      13.402     -33.758       0.000
+       289          28.90      30.206     -12.861      17.345       1.360     298.226     300.000       7.478    0      -41.963      32.290     -44.485     -17.251      60.188      10.556       0.871     -31.606       0.000       0.000      11.072       7.318       3.799       0.000       0.000       0.000       0.000      12.573     -33.779       0.000
+       290          29.00      31.236     -13.808      17.428       1.130     308.394     300.000       7.478    0      -41.996      32.320     -44.628     -17.046      59.369      10.575       0.847     -31.710       0.000       0.000      10.975       7.291       3.760       0.000       0.000       0.000       0.000      11.765     -33.846       0.000
+       291          29.10      33.006     -15.742      17.264       1.014     325.869     300.000       7.477    0      -42.055      32.427     -44.695     -17.286      57.673      10.631       0.826     -31.759       0.000       0.000      10.850       7.302       3.665       0.000       0.000       0.000       0.000      10.351     -33.927       0.000
+       292          29.20      34.326     -17.510      16.816       0.851     338.905     300.000       7.476    0      -42.152      32.617     -44.749     -17.889      55.272      10.715       0.810     -31.787       0.000       0.000      10.707       7.355       3.524       0.000       0.000       0.000       0.000       9.431     -33.971       0.000
+       293          29.30      33.065     -16.609      16.456       0.789     326.455     300.000       7.474    0      -42.285      32.875     -44.873     -18.599      53.131      10.804       0.798     -31.848       0.000       0.000      10.564       7.435       3.365       0.000       0.000       0.000       0.000      11.201     -33.933       0.000
+       294          29.40      30.203     -13.708      16.495       1.135     298.195     300.000       7.471    0      -42.447      33.166     -45.131     -19.106      52.154      10.873       0.789     -31.992       0.000       0.000      10.439       7.520       3.221       0.000       0.000       0.000       0.000      14.676     -33.807       0.000
+       295          29.50      30.039     -13.352      16.687       1.831     296.579     300.000       7.469    0      -42.642      33.448     -45.543     -19.283      51.325      10.902       0.781     -32.248       0.000       0.000      10.355       7.588       3.121       0.000       0.000       0.000       0.000      15.488     -33.618       0.000
+       296          29.60      34.030     -17.644      16.386       0.900     335.976     300.000       7.467    0      -42.878      33.697     -46.092     -19.195      48.898      10.885       0.772     -32.615       0.000       0.000      10.327       7.630       3.074       0.000       0.000       0.000       0.000      11.949     -33.394       0.000
+       297          29.70      37.537     -21.870      15.667       1.077     370.604     300.000       7.465    0      -43.138      33.913     -46.717     -18.940      46.298      10.834       0.760     -33.049       0.000       0.000      10.357       7.649       3.071       0.000       0.000       0.000       0.000       8.555     -33.145       0.000
+       298          29.80      36.201     -21.112      15.089       1.397     357.417     300.000       7.465    0      -43.391      34.101     -47.320     -18.640      44.958      10.772       0.750     -33.476       0.000       0.000      10.429       7.653       3.082       0.000       0.000       0.000       0.000       9.929     -32.880       0.000
+       299          29.90      32.415     -17.514      14.901       1.267     320.030     300.000       7.466    0      -43.602      34.262     -47.791     -18.503      45.730      10.724       0.741     -33.810       0.000       0.000      10.513       7.658       3.070       0.000       0.000       0.000       0.000      13.823     -32.643       0.000
+       300          30.00      31.534     -16.781      14.753       1.741     311.337     300.000       7.468    0      -43.736      34.396     -48.051     -18.734      48.744      10.706       0.737     -33.997       0.000       0.000      10.579       7.671       3.010       0.000       0.000       0.000       0.000      14.596     -32.501       0.000
+       301          30.10      34.206     -19.840      14.366       1.279     337.721     300.000       7.471    0      -43.766      34.507     -48.089     -19.369      52.929      10.717       0.739     -34.033       0.000       0.000      10.610       7.689       2.898       0.000       0.000       0.000       0.000      11.497     -32.486       0.000
+       302          30.20      36.159     -22.427      13.731       1.583     356.996     300.000       7.474    0      -43.721      34.609     -47.978     -20.187      55.624      10.741       0.749     -33.972       0.000       0.000      10.607       7.700       2.755       0.000       0.000       0.000       0.000       9.095     -32.554       0.000
+       303          30.30      34.670     -21.367      13.303       1.140     342.296     300.000       7.477    0      -43.671      34.697     -47.848     -20.831      58.091      10.757       0.766     -33.904       0.000       0.000      10.586       7.691       2.614       0.000       0.000       0.000       0.000      10.219     -32.622       0.000
+       304          30.40      31.909     -18.819      13.089       1.411     315.036     300.000       7.479    0      -43.656      34.769     -47.839     -21.110      61.007      10.748       0.784     -33.924       0.000       0.000      10.569       7.658       2.508       0.000       0.000       0.000       0.000      12.593     -32.616       0.000
+       305          30.50      30.882     -17.973      12.909       1.261     304.900     300.000       7.479    0      -43.662      34.835     -48.049     -21.097      64.264      10.709       0.796     -34.093       0.000       0.000      10.577       7.610       2.463       0.000       0.000       0.000       0.000      13.176     -32.480       0.000
+       306          30.60      31.266     -18.557      12.708       1.467     308.685     300.000       7.479    0      -43.666      34.924     -48.505     -20.966      67.535      10.644       0.796     -34.419       0.000       0.000      10.625       7.561       2.484       0.000       0.000       0.000       0.000      12.395     -32.170       0.000
+       307          30.70      31.168     -18.536      12.632       1.462     307.719     300.000       7.478    0      -43.669      35.067     -49.152     -20.833      70.222      10.568       0.787     -34.854       0.000       0.000      10.716       7.528       2.560       0.000       0.000       0.000       0.000      12.352     -31.674       0.000
+       308          30.80      30.755     -18.066      12.689       1.726     303.642     300.000       7.477    0      -43.686      35.279     -49.862     -20.790      71.673      10.499       0.775     -35.316       0.000       0.000      10.844       7.522       2.663       0.000       0.000       0.000       0.000      12.935     -31.049       0.000
+       309          30.90      31.756     -19.078      12.678       1.306     313.528     300.000       7.476    0      -43.725      35.540     -50.480     -20.948      72.079      10.450       0.768     -35.709       0.000       0.000      10.989       7.545       2.762       0.000       0.000       0.000       0.000      12.197     -30.440       0.000
+       310          31.00      34.264     -21.900      12.365       1.155     338.291     300.000       7.476    0      -43.797      35.806     -50.888     -21.317      72.060      10.429       0.772     -35.967       0.000       0.000      11.131       7.586       2.830       0.000       0.000       0.000       0.000       9.724     -29.998       0.000
+       311          31.10      35.790     -23.980      11.810       0.605     353.353     300.000       7.475    0      -43.909      36.031     -51.068     -21.680      72.407      10.424       0.788     -36.080       0.000       0.000      11.256       7.626       2.861       0.000       0.000       0.000       0.000       7.821     -29.772       0.000
+       312          31.20      34.284     -22.933      11.351       1.960     338.489     300.000       7.474    0      -44.049      36.175     -51.102     -21.767      72.212      10.420       0.814     -36.097       0.000       0.000      11.364       7.644       2.864       0.000       0.000       0.000       0.000       8.898     -29.681       0.000
+       313          31.30      30.872     -19.693      11.179       1.624     304.796     300.000       7.474    0      -44.155      36.214     -51.121     -21.561      70.114      10.397       0.840     -36.100       0.000       0.000      11.470       7.634       2.863       0.000       0.000       0.000       0.000      12.336     -29.605       0.000
+       314          31.40      29.116     -17.787      11.329       1.821     287.461     300.000       7.473    0      -44.159      36.146     -51.231     -21.275      68.392      10.344       0.858     -36.159       0.000       0.000      11.600       7.598       2.890       0.000       0.000       0.000       0.000      14.497     -29.467       0.000
+       315          31.50      31.273     -19.974      11.299       1.227     308.761     300.000       7.472    0      -44.058      36.001     -51.463     -21.078      68.102      10.260       0.861     -36.303       0.000       0.000      11.765       7.542       2.965       0.000       0.000       0.000       0.000      12.610     -29.258       0.000
+       316          31.60      34.766     -23.899      10.867       0.825     343.248     300.000       7.471    0      -43.883      35.833     -51.771     -20.961      69.558      10.157       0.851     -36.512       0.000       0.000      11.963       7.476       3.091       0.000       0.000       0.000       0.000       8.847     -29.028       0.000
+       317          31.70      35.155     -24.728      10.427       0.781     347.086     300.000       7.472    0      -43.641      35.698     -52.056     -20.813      71.803      10.054       0.837     -36.731       0.000       0.000      12.178       7.407       3.250       0.000       0.000       0.000       0.000       7.856     -28.865       0.000
+       318          31.80      32.390     -22.189      10.201       0.586     319.790     300.000       7.474    0      -43.353      35.617     -52.211     -20.552      71.970       9.969       0.828     -36.895       0.000       0.000      12.396       7.342       3.414       0.000       0.000       0.000       0.000      10.142     -28.874       0.000
+       319          31.90      30.342     -20.203      10.139       1.193     299.566     300.000       7.476    0      -43.106      35.569     -52.172     -20.163      70.463       9.915       0.830     -36.956       0.000       0.000      12.613       7.285       3.556       0.000       0.000       0.000       0.000      11.767     -29.107       0.000
+       320          32.00      30.761     -20.813       9.948       1.765     303.705     300.000       7.479    0      -43.006      35.531     -51.955     -19.651      68.616       9.895       0.846     -36.908       0.000       0.000      12.832       7.239       3.655       0.000       0.000       0.000       0.000      10.661     -29.487       0.000
+       321          32.10      31.205     -21.437       9.768       1.574     308.088     300.000       7.481    0      -43.081      35.491     -51.647     -19.056      68.085       9.897       0.869     -36.778       0.000       0.000      13.055       7.204       3.705       0.000       0.000       0.000       0.000       9.325     -29.848       0.000
+       322          32.20      29.901     -20.074       9.827       1.507     295.215     300.000       7.484    0      -43.265      35.441     -51.359     -18.517      68.986       9.904       0.890     -36.619       0.000       0.000      13.282       7.180       3.715       0.000       0.000       0.000       0.000       9.953     -30.037       0.000
+       323          32.30      28.722     -18.678      10.045       0.956     283.577     300.000       7.486    0      -43.463      35.373     -51.179     -18.277      70.334       9.900       0.900     -36.478       0.000       0.000      13.513       7.165       3.702       0.000       0.000       0.000       0.000      11.027     -29.983       0.000
+       324          32.40      29.769     -19.624      10.145       0.748     293.909     300.000       7.488    0      -43.608      35.279     -51.133     -18.481      71.280       9.872       0.893     -36.377       0.000       0.000      13.745       7.158       3.689       0.000       0.000       0.000       0.000      10.451     -29.714       0.000
+       325          32.50      31.932     -21.922      10.010       0.879     315.266     300.000       7.489    0      -43.653      35.150     -51.170     -18.989      71.340       9.820       0.869     -36.306       0.000       0.000      13.967       7.151       3.689       0.000       0.000       0.000       0.000       9.058     -29.361       0.000
+       326          32.60      32.497     -22.709       9.787       1.580     320.840     300.000       7.489    0      -43.572      34.981     -51.179     -19.458      70.732       9.754       0.836     -36.223       0.000       0.000      14.162       7.140       3.707       0.000       0.000       0.000       0.000       9.165     -29.122       0.000
+       327          32.70      30.740     -21.051       9.689       1.434     303.498     300.000       7.489    0      -43.419      34.767     -51.037     -19.641      70.189       9.689       0.803     -36.077       0.000       0.000      14.313       7.124       3.738       0.000       0.000       0.000       0.000      11.264     -29.192       0.000
+       328          32.80      28.479     -18.676       9.804       1.293     281.175     300.000       7.489    0      -43.357      34.502     -50.663     -19.554      70.416       9.638       0.775     -35.834       0.000       0.000      14.420       7.107       3.778       0.000       0.000       0.000       0.000      13.653     -29.664       0.000
+       329          32.90      27.979     -17.906      10.073       1.125     276.236     300.000       7.490    0      -43.515      34.195     -50.062     -19.349      71.451       9.609       0.757     -35.493       0.000       0.000      14.499       7.097       3.820       0.000       0.000       0.000       0.000      14.300     -30.465       0.000
+       330          33.00      30.106     -19.860      10.247       0.563     297.241     300.000       7.491    0      -43.830      33.881     -49.327     -19.142      71.721       9.603       0.748     -35.091       0.000       0.000      14.576       7.098       3.856       0.000       0.000       0.000       0.000      12.386     -31.377       0.000
+       331          33.10      33.582     -23.465      10.117       0.561     331.558     300.000       7.493    0      -44.129      33.604     -48.591     -19.020      69.657       9.610       0.746     -34.687       0.000       0.000      14.677       7.110       3.883       0.000       0.000       0.000       0.000       9.149     -32.175       0.000
+       332          33.20      35.994     -26.314       9.681       1.033     355.373     300.000       7.495    0      -44.318      33.394     -47.968     -19.064      64.895       9.620       0.746     -34.335       0.000       0.000      14.816       7.123       3.896       0.000       0.000       0.000       0.000       7.110     -32.742       0.000
+       333          33.30      36.046     -26.872       9.174       0.818     355.885     300.000       7.496    0      -44.421      33.250     -47.514     -19.280      59.395       9.620       0.740     -34.069       0.000       0.000      15.000       7.126       3.897       0.000       0.000       0.000       0.000       7.634     -33.086       0.000
+       334          33.40      34.698     -25.988       8.711       1.581     342.577     300.000       7.497    0      -44.503      33.149     -47.232     -19.544      55.003       9.602       0.724     -33.898       0.000       0.000      15.227       7.107       3.893       0.000       0.000       0.000       0.000       9.612     -33.279       0.000
+       335          33.50      33.477     -25.188       8.290       1.663     330.524     300.000       7.497    0      -44.586      33.058     -47.083     -19.662      52.316       9.562       0.699     -33.805       0.000       0.000      15.487       7.060       3.892       0.000       0.000       0.000       0.000      11.266     -33.406       0.000
+       336          33.60      32.679     -24.709       7.970       1.294     322.645     300.000       7.498    0      -44.626      32.956     -47.000     -19.540      51.180       9.499       0.668     -33.758       0.000       0.000      15.766       6.990       3.901       0.000       0.000       0.000       0.000      12.182     -33.538       0.000
+       337          33.70      32.288     -24.482       7.806       1.229     318.780     300.000       7.498    0      -44.584      32.838     -46.907     -19.253      51.002       9.422       0.638     -33.712       0.000       0.000      16.044       6.910       3.923       0.000       0.000       0.000       0.000      12.454     -33.725       0.000
+       338          33.80      33.078     -25.437       7.641       1.104     326.576     300.000       7.499    0      -44.481      32.712     -46.735     -18.970      51.170       9.342       0.613     -33.627       0.000       0.000      16.300       6.838       3.957       0.000       0.000       0.000       0.000      11.339     -34.000       0.000
+       339          33.90      35.103     -27.868       7.235       0.876     346.571     300.000       7.501    0      -44.366      32.593     -46.449     -18.806      50.944       9.269       0.596     -33.479       0.000       0.000      16.522       6.788       3.998       0.000       0.000       0.000       0.000       8.756     -34.353       0.000
+       340          34.00      36.327     -29.730       6.597       1.746     358.661     300.000       7.505    0      -44.250      32.503     -46.063     -18.766      49.803       9.214       0.587     -33.268       0.000       0.000      16.703       6.763       4.038       0.000       0.000       0.000       0.000       6.806     -34.718       0.000
+       341          34.10      34.941     -28.885       6.056       1.323     344.974     300.000       7.508    0      -44.126      32.457     -45.628     -18.774      48.748       9.177       0.582     -33.017       0.000       0.000      16.853       6.752       4.071       0.000       0.000       0.000       0.000       7.406     -35.017       0.000
+       342          34.20      31.977     -26.205       5.771       1.267     315.706     300.000       7.512    0      -44.004      32.445     -45.206     -18.736      47.995       9.150       0.578     -32.761       0.000       0.000      16.992       6.736       4.098       0.000       0.000       0.000       0.000       9.676     -35.212       0.000
+       343          34.30      29.961     -24.266       5.695       0.838     295.806     300.000       7.515    0      -43.896      32.436     -44.843     -18.598      45.959       9.119       0.572     -32.537       0.000       0.000      17.143       6.695       4.127       0.000       0.000       0.000       0.000      11.409     -35.312       0.000
+       344          34.40      29.963     -24.283       5.681       1.363     295.828     300.000       7.517    0      -43.801      32.390     -44.569     -18.384      41.553       9.072       0.561     -32.368       0.000       0.000      17.324       6.621       4.174       0.000       0.000       0.000       0.000      11.724     -35.345       0.000
+       345          34.50      31.358     -25.676       5.681       1.860     309.595     300.000       7.519    0      -43.700      32.276     -44.376     -18.159      37.184       8.999       0.544     -32.260       0.000       0.000      17.540       6.514       4.252       0.000       0.000       0.000       0.000      10.910     -35.361       0.000
+       346          34.60      33.216     -27.710       5.506       0.964     327.945     300.000       7.521    0      -43.560      32.096     -44.226     -17.957      35.162       8.905       0.525     -32.195       0.000       0.000      17.781       6.383       4.367       0.000       0.000       0.000       0.000       9.267     -35.406       0.000
+       347          34.70      34.267     -29.126       5.141       0.933     338.316     300.000       7.523    0      -43.353      31.886     -44.069     -17.762      36.560       8.802       0.507     -32.145       0.000       0.000      18.017       6.250       4.511       0.000       0.000       0.000       0.000       7.659     -35.518       0.000
+       348          34.80      33.384     -28.625       4.759       0.752     329.602     300.000       7.525    0      -43.069      31.704     -43.859     -17.569      40.023       8.707       0.497     -32.080       0.000       0.000      18.217       6.141       4.669       0.000       0.000       0.000       0.000       7.377     -35.712       0.000
+       349          34.90      31.035     -26.448       4.587       0.601     306.414     300.000       7.527    0      -42.726      31.595     -43.581     -17.438      44.297       8.630       0.498     -31.978       0.000       0.000      18.367       6.078       4.822       0.000       0.000       0.000       0.000       8.339     -35.972       0.000
+       350          35.00      28.917     -24.351       4.566       1.188     285.500     300.000       7.529    0      -42.368      31.567     -43.245     -17.446      47.400       8.573       0.507     -31.833       0.000       0.000      18.470       6.062       4.953       0.000       0.000       0.000       0.000       9.254     -36.245       0.000
+       351          35.10      27.537     -22.875       4.662       0.816     271.878     300.000       7.531    0      -42.052      31.584     -42.898     -17.565      48.204       8.528       0.518     -31.657       0.000       0.000      18.547       6.074       5.054       0.000       0.000       0.000       0.000       9.951     -36.454       0.000
+       352          35.20      26.566     -21.522       5.044       0.866     262.291     300.000       7.534    0      -41.824      31.582     -42.579     -17.616      47.800       8.483       0.525     -31.463       0.000       0.000      18.621       6.082       5.120       0.000       0.000       0.000       0.000      10.831     -36.551       0.000
+       353          35.30      27.149     -21.645       5.504       0.937     268.038     300.000       7.537    0      -41.692      31.493     -42.318     -17.478      47.178       8.429       0.522     -31.274       0.000       0.000      18.714       6.056       5.161       0.000       0.000       0.000       0.000      10.462     -36.531       0.000
+       354          35.40      29.697     -24.105       5.592       1.173     293.200     300.000       7.542    0      -41.624      31.293     -42.125     -17.209      47.257       8.359       0.507     -31.103       0.000       0.000      18.831       5.980       5.188       0.000       0.000       0.000       0.000       7.936     -36.422       0.000
+       355          35.50      30.848     -25.441       5.407       1.382     304.566     300.000       7.547    0      -41.562      31.021     -41.978     -16.876      48.782       8.277       0.485     -30.955       0.000       0.000      18.963       5.863       5.220       0.000       0.000       0.000       0.000       6.491     -36.276       0.000
+       356          35.60      27.816     -22.213       5.603       1.238     274.626     300.000       7.552    0      -41.462      30.755     -41.834     -16.511      51.658       8.192       0.464     -30.816       0.000       0.000      19.088       5.732       5.268       0.000       0.000       0.000       0.000       9.318     -36.155       0.000
+       357          35.70      24.245     -17.951       6.295       0.883     239.376     300.000       7.557    0      -41.308      30.564     -41.641     -16.269      53.684       8.116       0.450     -30.670       0.000       0.000      19.181       5.620       5.340       0.000       0.000       0.000       0.000      13.168     -36.119       0.000
+       358          35.80      25.608     -18.765       6.843       0.370     252.829     300.000       7.561    0      -41.123      30.470     -41.362     -16.363      53.740       8.058       0.446     -30.498       0.000       0.000      19.224       5.551       5.430       0.000       0.000       0.000       0.000      12.256     -36.201       0.000
+       359          35.90      30.518     -23.681       6.837       0.520     301.303     300.000       7.564    0      -40.952      30.456     -40.988     -16.805      52.697       8.024       0.453     -30.291       0.000       0.000      19.211       5.532       5.531       0.000       0.000       0.000       0.000       7.496     -36.405       0.000
+       360          36.00      32.397     -25.724       6.673       1.696     319.854     300.000       7.568    0      -40.844      30.460     -40.541     -17.336      50.884       8.010       0.469     -30.048       0.000       0.000      19.152       5.545       5.631       0.000       0.000       0.000       0.000       5.733     -36.680       0.000
+       361          36.10      29.551     -22.697       6.854       1.343     291.756     300.000       7.572    0      -40.819      30.399     -40.062     -17.690      49.184       8.008       0.487     -29.776       0.000       0.000      19.067       5.557       5.721       0.000       0.000       0.000       0.000       8.981     -36.952       0.000
+       362          36.20      27.156     -19.951       7.205       1.013     268.116     300.000       7.578    0      -40.849      30.205     -39.586     -17.837      48.643       8.006       0.498     -29.480       0.000       0.000      18.980       5.540       5.795       0.000       0.000       0.000       0.000      11.870     -37.156       0.000
+       363          36.30      28.636     -21.324       7.312       1.167     282.720     300.000       7.584    0      -40.891      29.854     -39.127     -17.827      49.952       7.997       0.496     -29.159       0.000       0.000      18.905       5.482       5.848       0.000       0.000       0.000       0.000      10.532     -37.261       0.000
+       364          36.40      30.991     -23.791       7.199       0.823     305.973     300.000       7.591    0      -40.914      29.391     -38.670     -17.613      53.227       7.979       0.482     -28.810       0.000       0.000      18.842       5.394       5.874       0.000       0.000       0.000       0.000       7.779     -37.270       0.000
+       365          36.50      30.510     -23.261       7.250       1.820     301.230     300.000       7.598    0      -40.910      28.903     -38.187     -17.244      57.601       7.959       0.466     -28.427       0.000       0.000      18.779       5.304       5.870       0.000       0.000       0.000       0.000       7.663     -37.216       0.000
+       366          36.60      28.691     -21.215       7.476       1.766     283.264     300.000       7.604    0      -40.893      28.473     -37.655     -16.997      59.652       7.943       0.456     -28.017       0.000       0.000      18.707       5.245       5.836       0.000       0.000       0.000       0.000       9.375     -37.146       0.000
+       367          36.70      28.713     -21.090       7.623       1.505     283.482     300.000       7.610    0      -40.904      28.145     -37.074     -17.083      58.889       7.936       0.457     -27.591       0.000       0.000      18.616       5.238       5.777       0.000       0.000       0.000       0.000       9.732     -37.100       0.000
+       368          36.80      30.104     -22.518       7.586       1.956     297.217     300.000       7.614    0      -40.969      27.925     -36.474     -17.365      57.430       7.940       0.469     -27.175       0.000       0.000      18.507       5.284       5.706       0.000       0.000       0.000       0.000       8.654     -37.103       0.000
+       369          36.90      30.157     -22.577       7.580       1.115     297.743     300.000       7.618    0      -41.077      27.778     -35.906     -17.542      56.455       7.949       0.487     -26.798       0.000       0.000      18.390       5.354       5.642       0.000       0.000       0.000       0.000       8.668     -37.152       0.000
+       370          37.00      28.520     -20.724       7.796       0.744     281.577     300.000       7.623    0      -41.202      27.649     -35.427     -17.515      56.711       7.959       0.501     -26.488       0.000       0.000      18.280       5.414       5.599       0.000       0.000       0.000       0.000      10.259     -37.220       0.000
+       371          37.10      27.823     -19.692       8.131       0.584     274.693     300.000       7.628    0      -41.326      27.486     -35.073     -17.370      57.797       7.961       0.502     -26.257       0.000       0.000      18.193       5.435       5.587       0.000       0.000       0.000       0.000      11.011     -37.276       0.000
+       372          37.20      29.481     -21.293       8.188       0.375     291.066     300.000       7.634    0      -41.424      27.274     -34.844     -17.131      57.744       7.953       0.488     -26.100       0.000       0.000      18.142       5.406       5.608       0.000       0.000       0.000       0.000       9.469     -37.295       0.000
+       373          37.30      31.132     -23.051       8.081       0.670     307.370     300.000       7.639    0      -41.447      27.037     -34.703     -16.749      57.601       7.937       0.462     -25.992       0.000       0.000      18.124       5.342       5.653       0.000       0.000       0.000       0.000       7.712     -37.268       0.000
+       374          37.40      30.195     -22.111       8.084       1.744     298.111     300.000       7.645    0      -41.369      26.816     -34.580     -16.313      58.027       7.918       0.434     -25.891       0.000       0.000      18.123       5.269       5.702       0.000       0.000       0.000       0.000       8.369     -37.204       0.000
+       375          37.50      27.906     -19.577       8.329       1.693     275.515     300.000       7.650    0      -41.221      26.633     -34.407     -16.065      58.710       7.906       0.412     -25.761       0.000       0.000      18.115       5.218       5.735       0.000       0.000       0.000       0.000      10.536     -37.124       0.000
+       376          37.60      27.248     -18.646       8.603       1.165     269.024     300.000       7.655    0      -41.062      26.483     -34.142     -16.142      59.535       7.908       0.403     -25.577       0.000       0.000      18.082       5.207       5.740       0.000       0.000       0.000       0.000      11.197     -37.048       0.000
+       377          37.70      28.460     -19.706       8.754       0.801     280.983     300.000       7.660    0      -40.952      26.345     -33.778     -16.470      60.855       7.924       0.405     -25.336       0.000       0.000      18.017       5.234       5.723       0.000       0.000       0.000       0.000       9.935     -36.982       0.000
+       378          37.80      29.415     -20.488       8.926       0.496     290.414     300.000       7.665    0      -40.935      26.194     -33.351     -16.915      62.985       7.947       0.414     -25.055       0.000       0.000      17.927       5.277       5.700       0.000       0.000       0.000       0.000       8.997     -36.919       0.000
+       379          37.90      29.761     -20.609       9.152       1.027     293.827     300.000       7.671    0      -41.039      26.005     -32.923     -17.433      65.057       7.967       0.423     -24.767       0.000       0.000      17.831       5.306       5.686       0.000       0.000       0.000       0.000       9.052     -36.840       0.000
+       380          38.00      30.860     -21.671       9.189       0.992     304.681     300.000       7.677    0      -41.243      25.767     -32.551     -17.956      66.383       7.977       0.426     -24.503       0.000       0.000      17.746       5.305       5.689       0.000       0.000       0.000       0.000       8.626     -36.734       0.000
+       381          38.10      32.252     -23.280       8.972       1.214     318.429     300.000       7.682    0      -41.502      25.492     -32.268     -18.327      67.199       7.972       0.421     -24.285       0.000       0.000      17.683       5.274       5.704       0.000       0.000       0.000       0.000       7.852     -36.606       0.000
+       382          38.20      31.857     -23.079       8.778       1.439     314.530     300.000       7.688    0      -41.763      25.223     -32.077     -18.467      67.236       7.957       0.410     -24.119       0.000       0.000      17.637       5.234       5.725       0.000       0.000       0.000       0.000       8.872     -36.467       0.000
+       383          38.30      29.913     -21.063       8.850       1.268     295.332     300.000       7.692    0      -41.968      25.013     -31.960     -18.508      66.476       7.939       0.398     -23.999       0.000       0.000      17.601       5.213       5.740       0.000       0.000       0.000       0.000      11.606     -36.339       0.000
+       384          38.40      29.323     -20.327       8.996       0.868     289.503     300.000       7.696    0      -42.070      24.895     -31.887     -18.624      65.349       7.927       0.388     -23.914       0.000       0.000      17.564       5.231       5.745       0.000       0.000       0.000       0.000      12.896     -36.238       0.000
+       385          38.50      31.233     -22.278       8.955       0.699     308.363     300.000       7.699    0      -42.062      24.871     -31.835     -18.831      64.185       7.927       0.378     -23.854       0.000       0.000      17.521       5.293       5.743       0.000       0.000       0.000       0.000      11.245     -36.173       0.000
+       386          38.60      33.680     -24.906       8.774       0.631     332.527     300.000       7.701    0      -41.962      24.909     -31.794     -19.042      62.802       7.941       0.370     -23.812       0.000       0.000      17.476       5.379       5.739       0.000       0.000       0.000       0.000       8.687     -36.135       0.000
+       387          38.70      35.241     -26.761       8.480       0.718     347.937     300.000       7.703    0      -41.809      24.962     -31.773     -19.250      60.914       7.963       0.359     -23.789       0.000       0.000      17.440       5.455       5.744       0.000       0.000       0.000       0.000       6.904     -36.102       0.000
+       388          38.80      36.091     -28.159       7.931       0.946     356.323     300.000       7.705    0      -41.626      24.989     -31.790     -19.483      58.851       7.983       0.345     -23.784       0.000       0.000      17.420       5.491       5.766       0.000       0.000       0.000       0.000       5.730     -36.047       0.000
+       389          38.90      35.472     -28.221       7.250       1.505     350.212     300.000       7.707    0      -41.429      24.975     -31.852     -19.660      57.494       7.993       0.328     -23.797       0.000       0.000      17.415       5.476       5.806       0.000       0.000       0.000       0.000       5.890     -35.952       0.000
+       390          39.00      32.485     -25.622       6.862       1.374     320.722     300.000       7.709    0      -41.245      24.932     -31.944     -19.709      57.206       7.991       0.312     -23.818       0.000       0.000      17.414       5.419       5.860       0.000       0.000       0.000       0.000       8.562     -35.822       0.000
+       391          39.10      29.180     -22.267       6.914       1.165     288.098     300.000       7.712    0      -41.106      24.884     -32.036     -19.745      57.464       7.978       0.302     -23.834       0.000       0.000      17.404       5.346       5.922       0.000       0.000       0.000       0.000      11.984     -35.678       0.000
+       392          39.20      28.978     -21.915       7.063       1.033     286.097     300.000       7.715    0      -41.012      24.856     -32.097     -19.943      57.453       7.963       0.302     -23.835       0.000       0.000      17.379       5.286       5.987       0.000       0.000       0.000       0.000      12.604     -35.547       0.000
+       393          39.30      31.950     -24.985       6.964       0.882     315.439     300.000       7.718    0      -40.931      24.863     -32.111     -20.281      56.724       7.954       0.310     -23.817       0.000       0.000      17.340       5.264       6.054       0.000       0.000       0.000       0.000       9.911     -35.446       0.000
+       394          39.40      34.682     -28.037       6.645       0.736     342.414     300.000       7.720    0      -40.824      24.907     -32.087     -20.540      55.333       7.957       0.322     -23.784       0.000       0.000      17.297       5.283       6.124       0.000       0.000       0.000       0.000       7.029     -35.375       0.000
+       395          39.50      34.942     -28.666       6.276       0.966     344.979     300.000       7.722    0      -40.690      24.972     -32.051     -20.591      53.650       7.976       0.331     -23.747       0.000       0.000      17.266       5.328       6.194       0.000       0.000       0.000       0.000       6.230     -35.319       0.000
+       396          39.60      33.586     -27.675       5.911       1.342     331.599     300.000       7.724    0      -40.553      25.031     -32.037     -20.531      52.142       8.003       0.333     -23.720       0.000       0.000      17.267       5.372       6.261       0.000       0.000       0.000       0.000       6.914     -35.256       0.000
+       397          39.70      32.051     -26.440       5.611       1.370     316.443     300.000       7.726    0      -40.436      25.062     -32.077     -20.469      51.184       8.031       0.324     -23.718       0.000       0.000      17.306       5.393       6.319       0.000       0.000       0.000       0.000       7.924     -35.164       0.000
+       398          39.80      30.856     -25.378       5.478       1.218     304.642     300.000       7.728    0      -40.342      25.066     -32.187     -20.396      50.858       8.048       0.306     -23.752       0.000       0.000      17.380       5.383       6.362       0.000       0.000       0.000       0.000       8.870     -35.030       0.000
+       399          39.90      30.444     -24.982       5.462       0.883     300.578     300.000       7.729    0      -40.264      25.068     -32.362     -20.294      50.980       8.050       0.286     -23.821       0.000       0.000      17.473       5.344       6.391       0.000       0.000       0.000       0.000       9.214     -34.857       0.000
+       400          40.00      31.000     -25.616       5.384       0.590     306.067     300.000       7.731    0      -40.193      25.098     -32.576     -20.236      51.322       8.039       0.270     -23.921       0.000       0.000      17.570       5.291       6.408       0.000       0.000       0.000       0.000       8.598     -34.670       0.000
+       401          40.10      31.453     -26.221       5.231       0.602     310.532     300.000       7.732    0      -40.120      25.173     -32.791     -20.260      51.750       8.022       0.264     -24.037       0.000       0.000      17.658       5.237       6.419       0.000       0.000       0.000       0.000       8.033     -34.511       0.000
+       402          40.20      30.736     -25.551       5.185       0.439     303.456     300.000       7.733    0      -40.052      25.289     -32.974     -20.247      52.186       8.008       0.267     -24.160       0.000       0.000      17.725       5.193       6.427       0.000       0.000       0.000       0.000       8.595     -34.420       0.000
+       403          40.30      29.780     -24.498       5.282       0.909     294.023     300.000       7.734    0      -40.004      25.420     -33.117     -20.078      52.463       8.003       0.279     -24.280       0.000       0.000      17.764       5.164       6.439       0.000       0.000       0.000       0.000       9.315     -34.415       0.000
+       404          40.40      30.218     -24.909       5.309       1.811     298.339     300.000       7.735    0      -39.983      25.544     -33.234     -19.821      52.333       8.008       0.296     -24.398       0.000       0.000      17.773       5.147       6.464       0.000       0.000       0.000       0.000       8.523     -34.471       0.000
+       405          40.50      31.392     -26.248       5.144       1.696     309.934     300.000       7.737    0      -39.977      25.653     -33.362     -19.605      51.801       8.020       0.314     -24.516       0.000       0.000      17.766       5.140       6.503       0.000       0.000       0.000       0.000       6.928     -34.533       0.000
+       406          40.60      30.949     -25.948       5.000       1.197     305.556     300.000       7.738    0      -39.962      25.749     -33.528     -19.431      51.128       8.031       0.330     -24.636       0.000       0.000      17.754       5.141       6.551       0.000       0.000       0.000       0.000       7.056     -34.541       0.000
+       407          40.70      28.569     -23.440       5.129       1.067     282.066     300.000       7.740    0      -39.924      25.836     -33.738     -19.236      50.414       8.036       0.344     -24.751       0.000       0.000      17.742       5.149       6.596       0.000       0.000       0.000       0.000       9.385     -34.452       0.000
+       408          40.80      26.846     -21.376       5.469       0.550     265.047     300.000       7.742    0      -39.868      25.907     -33.974     -19.041      49.715       8.037       0.353     -24.850       0.000       0.000      17.727       5.162       6.625       0.000       0.000       0.000       0.000      11.284     -34.249       0.000
+       409          40.90      27.753     -22.014       5.739       0.313     274.005     300.000       7.744    0      -39.814      25.959     -34.204     -18.896      49.313       8.035       0.358     -24.922       0.000       0.000      17.706       5.180       6.626       0.000       0.000       0.000       0.000      10.519     -33.944       0.000
+       410          41.00      29.935     -24.129       5.805       0.770     295.545     300.000       7.746    0      -39.774      25.996     -34.393     -18.744      49.724       8.039       0.359     -24.956       0.000       0.000      17.679       5.201       6.593       0.000       0.000       0.000       0.000       8.141     -33.579       0.000
+       411          41.10      30.635     -24.832       5.803       1.574     302.458     300.000       7.748    0      -39.743      26.027     -34.512     -18.455      51.316       8.054       0.356     -24.952       0.000       0.000      17.653       5.224       6.530       0.000       0.000       0.000       0.000       6.784     -33.222       0.000
+       412          41.20      29.292     -23.373       5.919       1.309     289.204     300.000       7.749    0      -39.703      26.052     -34.551     -18.065      53.647       8.083       0.350     -24.915       0.000       0.000      17.637       5.247       6.450       0.000       0.000       0.000       0.000       7.277     -32.947       0.000
+       413          41.30      27.940     -21.775       6.165       0.851     275.851     300.000       7.751    0      -39.666      26.064     -34.526     -17.813      55.326       8.124       0.343     -24.862       0.000       0.000      17.633       5.268       6.372       0.000       0.000       0.000       0.000       8.137     -32.796       0.000
+       414          41.40      28.332     -21.974       6.358       0.617     279.724     300.000       7.753    0      -39.708      26.060     -34.472     -17.883      55.695       8.170       0.338     -24.815       0.000       0.000      17.636       5.285       6.314       0.000       0.000       0.000       0.000       7.880     -32.766       0.000
+       415          41.50      29.687     -23.255       6.432       1.184     293.099     300.000       7.755    0      -39.874      26.045     -34.425     -18.228      56.058       8.215       0.338     -24.793       0.000       0.000      17.639       5.297       6.289       0.000       0.000       0.000       0.000       7.052     -32.816       0.000
+       416          41.60      30.075     -23.597       6.477       0.993     296.928     300.000       7.757    0      -40.096      26.025     -34.408     -18.664      56.763       8.250       0.342     -24.800       0.000       0.000      17.635       5.301       6.300       0.000       0.000       0.000       0.000       7.336     -32.899       0.000
+       417          41.70      29.227     -22.601       6.626       0.596     288.561     300.000       7.759    0      -40.274      25.991     -34.419     -19.019      57.315       8.275       0.348     -24.826       0.000       0.000      17.614       5.294       6.337       0.000       0.000       0.000       0.000       8.901     -32.978       0.000
+       418          41.80      28.649     -21.854       6.795       0.990     282.852     300.000       7.761    0      -40.387      25.929     -34.434     -19.181      56.990       8.294       0.354     -24.847       0.000       0.000      17.567       5.277       6.378       0.000       0.000       0.000       0.000      10.122     -33.038       0.000
+       419          41.90      29.057     -22.152       6.905       0.905     286.881     300.000       7.764    0      -40.461      25.841     -34.414     -19.097      56.215       8.313       0.357     -24.839       0.000       0.000      17.484       5.259       6.399       0.000       0.000       0.000       0.000      10.073     -33.088       0.000
+       420          42.00      29.759     -22.734       7.024       0.842     293.809     300.000       7.766    0      -40.518      25.742     -34.335     -18.830      55.762       8.341       0.356     -24.784       0.000       0.000      17.361       5.246       6.382       0.000       0.000       0.000       0.000       9.420     -33.141       0.000
+       421          42.10      30.500     -23.375       7.125       0.705     301.124     300.000       7.769    0      -40.563      25.657     -34.197     -18.555      54.886       8.384       0.349     -24.683       0.000       0.000      17.203       5.245       6.320       0.000       0.000       0.000       0.000       8.664     -33.204       0.000
+       422          42.20      31.566     -24.512       7.054       0.588     311.653     300.000       7.772    0      -40.593      25.599     -34.028     -18.426      52.520       8.444       0.338     -24.550       0.000       0.000      17.030       5.260       6.226       0.000       0.000       0.000       0.000       7.688     -33.264       0.000
+       423          42.30      32.157     -25.333       6.824       1.089     317.486     300.000       7.776    0      -40.610      25.571     -33.872     -18.423      49.183       8.520       0.319     -24.413       0.000       0.000      16.868       5.293       6.118       0.000       0.000       0.000       0.000       7.227     -33.295       0.000
+       424          42.40      31.082     -24.388       6.694       0.905     306.878     300.000       7.780    0      -40.629      25.561     -33.777     -18.393      46.648       8.607       0.295     -24.298       0.000       0.000      16.743       5.340       6.022       0.000       0.000       0.000       0.000       8.341     -33.268       0.000
+       425          42.50      29.185     -22.398       6.787       0.993     288.144     300.000       7.784    0      -40.670      25.552     -33.766     -18.230      45.666       8.695       0.267     -24.227       0.000       0.000      16.670       5.394       5.955       0.000       0.000       0.000       0.000      10.161     -33.170       0.000
+       426          42.60      28.556     -21.623       6.933       0.755     281.937     300.000       7.787    0      -40.741      25.528     -33.831     -17.955      46.145       8.778       0.239     -24.201       0.000       0.000      16.649       5.448       5.923       0.000       0.000       0.000       0.000      10.508     -33.013       0.000
+       427          42.70      29.359     -22.383       6.976       1.496     289.859     300.000       7.790    0      -40.826      25.489     -33.927     -17.623      47.692       8.852       0.216     -24.206       0.000       0.000      16.666       5.499       5.919       0.000       0.000       0.000       0.000       9.151     -32.841       0.000
+       428          42.80      29.716     -22.684       7.032       1.617     293.382     300.000       7.791    0      -40.877      25.446     -33.991     -17.287      49.441       8.919       0.201     -24.213       0.000       0.000      16.700       5.546       5.924       0.000       0.000       0.000       0.000       8.158     -32.719       0.000
+       429          42.90      29.023     -21.807       7.216       1.320     286.549     300.000       7.792    0      -40.823      25.410     -33.968     -17.028      50.274       8.982       0.197     -24.199       0.000       0.000      16.730       5.587       5.918       0.000       0.000       0.000       0.000       8.376     -32.704       0.000
+       430          43.00      28.764     -21.358       7.406       1.015     283.991     300.000       7.793    0      -40.647      25.386     -33.838     -16.908      49.876       9.046       0.203     -24.151       0.000       0.000      16.739       5.615       5.888       0.000       0.000       0.000       0.000       8.286     -32.807       0.000
+       431          43.10      29.515     -22.061       7.454       0.711     291.399     300.000       7.794    0      -40.467      25.367     -33.630     -16.924      48.752       9.115       0.216     -24.077       0.000       0.000      16.721       5.625       5.832       0.000       0.000       0.000       0.000       7.276     -32.988       0.000
+       432          43.20      29.789     -22.310       7.479       1.095     294.108     300.000       7.796    0      -40.472      25.344     -33.404     -17.026      47.795       9.188       0.230     -23.998       0.000       0.000      16.682       5.612       5.765       0.000       0.000       0.000       0.000       7.074     -33.184       0.000
+       433          43.30      28.886     -21.229       7.657       1.854     285.188     300.000       7.799    0      -40.710      25.308     -33.223     -17.168      47.841       9.260       0.242     -23.942       0.000       0.000      16.639       5.577       5.704       0.000       0.000       0.000       0.000       8.496     -33.341       0.000
+       434          43.40      28.314     -20.418       7.896       1.543     279.548     300.000       7.802    0      -41.037      25.258     -33.144     -17.328      49.022       9.321       0.252     -23.933       0.000       0.000      16.613       5.526       5.669       0.000       0.000       0.000       0.000       9.746     -33.428       0.000
+       435          43.50      29.137     -21.114       8.023       0.999     287.671     300.000       7.805    0      -41.297      25.211     -33.197     -17.514      50.698       9.364       0.260     -23.991       0.000       0.000      16.621       5.473       5.663       0.000       0.000       0.000       0.000       9.474     -33.426       0.000
+       436          43.60      30.287     -22.218       8.069       0.745     299.022     300.000       7.808    0      -41.449      25.197     -33.387     -17.747      52.219       9.389       0.266     -24.119       0.000       0.000      16.664       5.436       5.680       0.000       0.000       0.000       0.000       8.782     -33.334       0.000
+       437          43.70      30.750     -22.618       8.132       1.577     303.593     300.000       7.810    0      -41.526      25.248     -33.686     -18.064      53.437       9.399       0.272     -24.308       0.000       0.000      16.735       5.426       5.702       0.000       0.000       0.000       0.000       8.805     -33.170       0.000
+       438          43.80      31.150     -23.008       8.142       1.280     307.545     300.000       7.811    0      -41.553      25.375     -34.043     -18.504      54.386       9.402       0.278     -24.536       0.000       0.000      16.821       5.446       5.707       0.000       0.000       0.000       0.000       8.861     -32.969       0.000
+       439          43.90      32.023     -24.020       8.003       1.016     316.165     300.000       7.813    0      -41.524      25.560     -34.403     -19.088      55.066       9.406       0.284     -24.774       0.000       0.000      16.913       5.482       5.675       0.000       0.000       0.000       0.000       8.332     -32.766       0.000
+       440          44.00      32.599     -24.812       7.787       1.080     321.851     300.000       7.815    0      -41.438      25.758     -34.722     -19.797      55.757       9.420       0.292     -24.997       0.000       0.000      17.005       5.517       5.597       0.000       0.000       0.000       0.000       8.044     -32.574       0.000
+       441          44.10      32.302     -24.699       7.604       1.122     318.923     300.000       7.817    0      -41.329      25.920     -34.978     -20.519      57.071       9.447       0.299     -25.183       0.000       0.000      17.097       5.534       5.478       0.000       0.000       0.000       0.000       8.571     -32.381       0.000
+       442          44.20      31.637     -24.210       7.428       1.065     312.356     300.000       7.819    0      -41.238      26.013     -35.164     -21.051      59.122       9.489       0.304     -25.323       0.000       0.000      17.191       5.529       5.337       0.000       0.000       0.000       0.000       9.227     -32.174       0.000
+       443          44.30      30.859     -23.596       7.263       1.455     304.669     300.000       7.821    0      -41.173      26.048     -35.285     -21.223      61.550       9.542       0.305     -25.420       0.000       0.000      17.283       5.508       5.203       0.000       0.000       0.000       0.000       9.605     -31.954       0.000
+       444          44.40      29.688     -22.432       7.256       1.166     293.109     300.000       7.823    0      -41.121      26.069     -35.354     -21.016      64.059       9.598       0.304     -25.481       0.000       0.000      17.366       5.489       5.100       0.000       0.000       0.000       0.000      10.048     -31.737       0.000
+       445          44.50      28.752     -21.328       7.424       0.912     283.872     300.000       7.824    0      -41.077      26.127     -35.390     -20.598      66.102       9.649       0.304     -25.522       0.000       0.000      17.430       5.488       5.046       0.000       0.000       0.000       0.000      10.139     -31.538       0.000
+       446          44.60      29.162     -21.594       7.568       0.587     287.916     300.000       7.826    0      -41.045      26.243     -35.407     -20.212      67.064       9.683       0.308     -25.552       0.000       0.000      17.474       5.509       5.045       0.000       0.000       0.000       0.000       8.939     -31.366       0.000
+       447          44.70      30.455     -22.887       7.568       0.616     300.683     300.000       7.827    0      -41.011      26.397     -35.407     -19.998      66.963       9.693       0.319     -25.573       0.000       0.000      17.502       5.539       5.089       0.000       0.000       0.000       0.000       6.999     -31.231       0.000
+       448          44.80      30.920     -23.411       7.508       0.466     305.272     300.000       7.828    0      -40.936      26.531     -35.378     -19.948      66.301       9.678       0.336     -25.573       0.000       0.000      17.514       5.552       5.162       0.000       0.000       0.000       0.000       6.111     -31.142       0.000
+       449          44.90      29.855     -22.347       7.509       1.280     294.763     300.000       7.830    0      -40.790      26.576     -35.296     -19.982      65.719       9.643       0.356     -25.538       0.000       0.000      17.509       5.528       5.241       0.000       0.000       0.000       0.000       6.989     -31.110       0.000
+       450          45.00      28.049     -20.426       7.622       1.309     276.925     300.000       7.834    0      -40.579      26.489     -35.145     -19.994      66.045       9.600       0.378     -25.450       0.000       0.000      17.478       5.459       5.307       0.000       0.000       0.000       0.000       8.710     -31.137       0.000
+       451          45.10      26.471     -18.576       7.895       1.121     261.348     300.000       7.838    0      -40.349      26.279     -34.923     -19.901      67.753       9.560       0.399     -25.309       0.000       0.000      17.422       5.363       5.343       0.000       0.000       0.000       0.000      10.180     -31.206       0.000
+       452          45.20      25.743     -17.415       8.328       0.882     254.164     300.000       7.844    0      -40.173      26.002     -34.651     -19.684      69.475       9.531       0.419     -25.126       0.000       0.000      17.343       5.275       5.344       0.000       0.000       0.000       0.000      10.941     -31.283       0.000
+       453          45.30      26.307     -17.511       8.796       0.628     259.726     300.000       7.850    0      -40.109      25.739     -34.370     -19.410      68.910       9.515       0.437     -24.926       0.000       0.000      17.247       5.231       5.314       0.000       0.000       0.000       0.000      10.790     -31.328       0.000
+       454          45.40      27.974     -18.836       9.138       0.431     276.190     300.000       7.856    0      -40.149      25.552     -34.126     -19.188      66.274       9.510       0.452     -24.737       0.000       0.000      17.138       5.254       5.260       0.000       0.000       0.000       0.000       9.734     -31.308       0.000
+       455          45.50      29.747     -20.425       9.322       0.812     293.694     300.000       7.862    0      -40.239      25.458     -33.948     -19.093      63.931       9.511       0.465     -24.575       0.000       0.000      17.018       5.337       5.191       0.000       0.000       0.000       0.000       8.383     -31.210       0.000
+       456          45.60      30.710     -21.336       9.374       0.742     303.198     300.000       7.868    0      -40.338      25.428     -33.840     -19.121      62.658       9.512       0.475     -24.442       0.000       0.000      16.889       5.452       5.114       0.000       0.000       0.000       0.000       7.601     -31.045       0.000
+       457          45.70      30.684     -21.322       9.362       0.958     302.946     300.000       7.875    0      -40.436      25.401     -33.777     -19.188      61.928       9.511       0.482     -24.321       0.000       0.000      16.748       5.557       5.034       0.000       0.000       0.000       0.000       7.756     -30.845       0.000
+       458          45.80      30.042     -20.675       9.367       0.934     296.608     300.000       7.883    0      -40.533      25.318     -33.703     -19.175      61.196       9.503       0.487     -24.186       0.000       0.000      16.592       5.620       4.958       0.000       0.000       0.000       0.000       8.614     -30.657       0.000
+       459          45.90      29.346     -19.910       9.436       0.847     289.730     300.000       7.892    0      -40.628      25.142     -33.562     -19.045      60.018       9.493       0.491     -24.010       0.000       0.000      16.415       5.630       4.893       0.000       0.000       0.000       0.000       9.710     -30.532       0.000
+       460          46.00      29.079     -19.517       9.561       0.611     287.095     300.000       7.901    0      -40.732      24.878     -33.311     -18.904      58.055       9.480       0.498     -23.778       0.000       0.000      16.217       5.598       4.849       0.000       0.000       0.000       0.000      10.670     -30.502       0.000
+       461          46.10      29.516     -19.808       9.709       0.563     291.417     300.000       7.911    0      -40.863      24.564     -32.941     -18.865      55.215       9.467       0.510     -23.491       0.000       0.000      16.001       5.555       4.835       0.000       0.000       0.000       0.000      11.220     -30.571       0.000
+       462          46.20      30.812     -21.008       9.804       0.506     304.207     300.000       7.919    0      -41.028      24.257     -32.478     -18.931      51.869       9.450       0.528     -23.170       0.000       0.000      15.776       5.533       4.859       0.000       0.000       0.000       0.000      10.957     -30.705       0.000
+       463          46.30      32.900     -23.177       9.723       0.810     324.822     300.000       7.927    0      -41.207      24.003     -31.970     -19.024      48.720       9.427       0.554     -22.841       0.000       0.000      15.552       5.552       4.921       0.000       0.000       0.000       0.000       9.534     -30.858       0.000
+       464          46.40      35.030     -25.661       9.369       1.155     345.851     300.000       7.933    0      -41.354      23.814     -31.467     -19.069      46.306       9.397       0.584     -22.528       0.000       0.000      15.346       5.606       5.013       0.000       0.000       0.000       0.000       7.410     -30.993       0.000
+       465          46.50      35.767     -26.943       8.823       1.091     353.126     300.000       7.938    0      -41.418      23.668     -31.004     -19.047      44.591       9.361       0.614     -22.245       0.000       0.000      15.168       5.673       5.116       0.000       0.000       0.000       0.000       6.129     -31.095       0.000
+       466          46.60      34.278     -25.938       8.340       0.985     338.431     300.000       7.944    0      -41.355      23.525     -30.592     -18.996      43.100       9.322       0.637     -21.992       0.000       0.000      15.021       5.723       5.208       0.000       0.000       0.000       0.000       6.985     -31.164       0.000
+       467          46.70      31.728     -23.619       8.109       0.621     313.253     300.000       7.950    0      -41.141      23.345     -30.227     -19.009      41.696       9.284       0.647     -21.760       0.000       0.000      14.901       5.736       5.269       0.000       0.000       0.000       0.000       9.204     -31.202       0.000
+       468          46.80      30.456     -22.384       8.072       0.411     300.694     300.000       7.958    0      -40.784      23.105     -29.895     -19.159      40.125       9.247       0.644     -21.539       0.000       0.000      14.800       5.710       5.286       0.000       0.000       0.000       0.000      10.561     -31.202       0.000
+       469          46.90      31.307     -23.399       7.908       0.434     309.095     300.000       7.967    0      -40.335      22.805     -29.587     -19.449      36.728       9.214       0.626     -21.319       0.000       0.000      14.707       5.660       5.257       0.000       0.000       0.000       0.000      10.191     -31.159       0.000
+       470          47.00      32.819     -25.076       7.743       0.688     324.027     300.000       7.977    0      -39.896      22.473     -29.302     -19.828      33.643       9.184       0.598     -21.100       0.000       0.000      14.616       5.615       5.195       0.000       0.000       0.000       0.000       9.310     -31.076       0.000
+       471          47.10      33.856     -26.322       7.534       1.705     334.261     300.000       7.988    0      -39.591      22.153     -29.042     -20.230      31.958       9.156       0.563     -20.891       0.000       0.000      14.525       5.602       5.120       0.000       0.000       0.000       0.000       8.801     -30.963       0.000
+       472          47.20      34.731     -27.557       7.174       1.680     342.898     300.000       7.998    0      -39.485      21.886     -28.816     -20.605      31.094       9.129       0.527     -20.704       0.000       0.000      14.430       5.635       5.049       0.000       0.000       0.000       0.000       8.275     -30.840       0.000
+       473          47.30      35.277     -28.622       6.655       1.256     348.289     300.000       8.007    0      -39.539      21.697     -28.627     -20.920      30.529       9.101       0.494     -20.548       0.000       0.000      14.332       5.709       4.996       0.000       0.000       0.000       0.000       7.855     -30.724       0.000
+       474          47.40      34.569     -28.409       6.160       1.084     341.298     300.000       8.015    0      -39.662      21.586     -28.474     -21.147      29.845       9.067       0.466     -20.426       0.000       0.000      14.236       5.800       4.964       0.000       0.000       0.000       0.000       8.602     -30.632       0.000
+       475          47.50      32.735     -26.887       5.849       1.077     323.196     300.000       8.022    0      -39.801      21.528     -28.341     -21.270      29.031       9.022       0.444     -20.332       0.000       0.000      14.150       5.879       4.953       0.000       0.000       0.000       0.000      10.550     -30.577       0.000
+       476          47.60      31.444     -25.738       5.706       1.450     310.444     300.000       8.029    0      -39.966      21.485     -28.211     -21.279      29.010       8.962       0.427     -20.255       0.000       0.000      14.084       5.918       4.962       0.000       0.000       0.000       0.000      11.960     -30.563       0.000
+       477          47.70      31.838     -26.295       5.542       1.115     314.335     300.000       8.036    0      -40.161      21.424     -28.061     -21.146      30.129       8.889       0.413     -20.179       0.000       0.000      14.047       5.906       4.988       0.000       0.000       0.000       0.000      11.467     -30.580       0.000
+       478          47.80      33.073     -27.766       5.307       2.089     326.527     300.000       8.044    0      -40.356      21.330     -27.875     -20.819      31.912       8.807       0.401     -20.089       0.000       0.000      14.040       5.848       5.033       0.000       0.000       0.000       0.000       9.831     -30.611       0.000
+       479          47.90      33.838     -28.807       5.032       1.884     334.084     300.000       8.051    0      -40.515      21.207     -27.646     -20.314      33.654       8.724       0.391     -19.977       0.000       0.000      14.059       5.768       5.095       0.000       0.000       0.000       0.000       8.409     -30.639       0.000
+       480          48.00      33.937     -29.247       4.690       1.269     335.058     300.000       8.059    0      -40.616      21.076     -27.380     -19.772      35.653       8.647       0.382     -19.841       0.000       0.000      14.097       5.695       5.169       0.000       0.000       0.000       0.000       7.358     -30.652       0.000
+       481          48.10      33.351     -29.085       4.265       1.173     329.272     300.000       8.065    0      -40.637      20.966     -27.095     -19.367      38.349       8.582       0.375     -19.690       0.000       0.000      14.143       5.653       5.248       0.000       0.000       0.000       0.000       6.706     -30.648       0.000
+       482          48.20      31.354     -27.415       3.940       1.680     309.560     300.000       8.071    0      -40.563      20.896     -26.821     -19.159      41.615       8.531       0.369     -19.538       0.000       0.000      14.185       5.650       5.316       0.000       0.000       0.000       0.000       7.420     -30.626       0.000
+       483          48.20      31.216     -27.373       3.843       0.001     308.197     300.000       8.071    0      -40.561      20.895     -26.817     -19.157      41.669       8.530       0.369     -19.536       0.000       0.000      14.186       5.650       5.317       0.000       0.000       0.000       0.000       7.446     -30.625       0.000
+       484          48.20      31.092     -27.332       3.760       0.001     306.968     300.000       8.071    0      -40.559      20.895     -26.813     -19.155      41.723       8.530       0.369     -19.534       0.000       0.000      14.187       5.650       5.318       0.000       0.000       0.000       0.000       7.471     -30.625       0.000
+       485          48.20      30.979     -27.290       3.689       0.001     305.858     300.000       8.071    0      -40.557      20.894     -26.809     -19.153      41.777       8.529       0.369     -19.531       0.000       0.000      14.187       5.650       5.318       0.000       0.000       0.000       0.000       7.498     -30.624       0.000
+       486          48.21      30.878     -27.248       3.630       0.001     304.856     300.000       8.072    0      -40.555      20.893     -26.805     -19.151      41.831       8.528       0.369     -19.529       0.000       0.000      14.188       5.650       5.319       0.000       0.000       0.000       0.000       7.524     -30.624       0.000
+       487          48.21      30.786     -27.205       3.581       0.001     303.952     300.000       8.072    0      -40.554      20.892     -26.801     -19.149      41.885       8.528       0.368     -19.527       0.000       0.000      14.188       5.651       5.320       0.000       0.000       0.000       0.000       7.551     -30.624       0.000
+       488          48.21      30.703     -27.163       3.541       0.001     303.135     300.000       8.072    0      -40.552      20.892     -26.798     -19.147      41.939       8.527       0.368     -19.525       0.000       0.000      14.189       5.651       5.321       0.000       0.000       0.000       0.000       7.578     -30.623       0.000
+       489          48.21      30.629     -27.120       3.509       0.001     302.396     300.000       8.072    0      -40.550      20.891     -26.794     -19.145      41.993       8.526       0.368     -19.523       0.000       0.000      14.189       5.651       5.322       0.000       0.000       0.000       0.000       7.605     -30.623       0.000
+       490          48.21      30.561     -27.076       3.485       0.001     301.729     300.000       8.072    0      -40.548      20.890     -26.790     -19.144      42.047       8.526       0.368     -19.520       0.000       0.000      14.190       5.651       5.322       0.000       0.000       0.000       0.000       7.632     -30.622       0.000
+       491          48.21      30.500     -27.033       3.467       0.001     301.125     300.000       8.072    0      -40.545      20.889     -26.786     -19.142      42.102       8.525       0.368     -19.518       0.000       0.000      14.190       5.652       5.323       0.000       0.000       0.000       0.000       7.660     -30.622       0.000
+       492          48.22      30.444     -26.989       3.456       0.001     300.578     300.000       8.072    0      -40.543      20.889     -26.782     -19.140      42.156       8.524       0.368     -19.516       0.000       0.000      14.191       5.652       5.324       0.000       0.000       0.000       0.000       7.688     -30.621       0.000
+       493          48.22      30.394     -26.944       3.450       0.001     300.083     300.000       8.072    0      -40.541      20.888     -26.778     -19.139      42.211       8.524       0.368     -19.514       0.000       0.000      14.191       5.652       5.325       0.000       0.000       0.000       0.000       7.717     -30.621       0.000
+       494          48.22      30.304     -26.855       3.449       0.002     299.191     300.000       8.072    0      -40.537      20.887     -26.770     -19.135      42.320       8.522       0.368     -19.509       0.000       0.000      14.192       5.653       5.326       0.000       0.000       0.000       0.000       7.774     -30.620       0.000
+       495          48.22      30.221     -26.764       3.457       0.002     298.377     300.000       8.072    0      -40.533      20.885     -26.763     -19.132      42.431       8.521       0.368     -19.505       0.000       0.000      14.193       5.653       5.328       0.000       0.000       0.000       0.000       7.833     -30.619       0.000
+       496          48.23      30.146     -26.672       3.474       0.002     297.632     300.000       8.073    0      -40.528      20.884     -26.755     -19.129      42.541       8.520       0.368     -19.501       0.000       0.000      14.194       5.654       5.329       0.000       0.000       0.000       0.000       7.892     -30.618       0.000
+       497          48.23      30.077     -26.579       3.498       0.002     296.951     300.000       8.073    0      -40.524      20.883     -26.747     -19.126      42.653       8.518       0.368     -19.496       0.000       0.000      14.195       5.655       5.331       0.000       0.000       0.000       0.000       7.953     -30.617       0.000
+       498          48.23      30.014     -26.485       3.529       0.002     296.326     300.000       8.073    0      -40.520      20.882     -26.740     -19.124      42.764       8.517       0.367     -19.492       0.000       0.000      14.196       5.655       5.332       0.000       0.000       0.000       0.000       8.015     -30.616       0.000
+       499          48.24      29.949     -26.386       3.563       0.014     295.688     300.000       8.073    0      -40.515      20.881     -26.732     -19.121      42.901       8.516       0.367     -19.488       0.000       0.000      14.196       5.656       5.334       0.000       0.000       0.000       0.000       8.077     -30.615       0.000
+       500          48.24      29.863     -26.258       3.605       0.042     294.838     300.000       8.073    0      -40.510      20.879     -26.725     -19.118      43.208       8.515       0.367     -19.483       0.000       0.000      14.197       5.657       5.335       0.000       0.000       0.000       0.000       8.141     -30.614       0.000
diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_MD000.pdb b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_MD000.pdb
index 1829c28..8062d51 100644
--- a/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_MD000.pdb
+++ b/examples/unres/new/MD/DYN_SS/dyn_ss_from_pdb/small_MD000.pdb
@@ -1,9279 +1,39 @@
-REMARK time    0.54                                       ENERGY     6.11450E+02
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.024  -0.007   0.012          0.000
-ATOM      2  CA  ALA     2       3.807   0.010   0.018          0.000
-ATOM      3  CB  ALA     2       4.098   0.406   0.625          0.000
-ATOM      4  CA  ALA     3       6.756  -2.310   0.009          0.000
-ATOM      5  CB  ALA     3       6.743  -2.756  -0.586          0.000
-ATOM      6  CA  ALA     4      10.316  -1.196   0.572          0.000
-ATOM      7  CB  ALA     4      10.491  -1.376   1.254          0.000
-ATOM      8  CA  CYS     5      12.713  -3.818  -0.727          0.021
-ATOM      9  CB  CYS     5      12.011  -4.418  -1.616          0.000
-ATOM     10  CA  ALA     6      16.415  -4.461  -0.936          0.360
-ATOM     11  CB  ALA     6      16.919  -4.205  -0.512          0.004
-ATOM     12  CA  ALA     7      15.883  -9.103  -0.254          0.182
-ATOM     13  CB  ALA     7      15.380  -7.298   0.175          2.834
-ATOM     14  CA  ALA     8      14.503 -10.492  -3.023          0.016
-ATOM     15  CB  ALA     8      15.197 -10.322  -3.325          0.006
-ATOM     16  CA  ALA     9      13.656 -14.263  -2.532          0.001
-ATOM     17  CB  ALA     9      13.754 -14.385  -1.862          0.001
-ATOM     18  CA  ALA    10       9.966 -13.419  -2.434          0.000
-ATOM     19  CB  ALA    10       9.587 -12.894  -2.053          0.000
-ATOM     20  CA  ALA    11       8.117 -14.334  -5.589          0.000
-ATOM     21  CB  ALA    11       7.445 -14.369  -5.764          0.000
-ATOM     22  CA  ALA    12       8.243 -10.697  -6.666          0.000
-ATOM     23  CB  ALA    12       7.564 -10.563  -6.403          0.000
-ATOM     24  CA  ALA    13      10.024  -7.469  -7.664          0.000
-ATOM     25  CB  ALA    13      10.008  -7.444  -8.409          0.000
-ATOM     26  CA  CYS    14       9.740  -4.083  -5.860          0.000
-ATOM     27  CB  CYS    14       9.662  -4.293  -4.585          0.000
-ATOM     28  CA  ALA    15      11.058  -0.545  -6.610          0.000
-ATOM     29  CB  ALA    15      11.093   0.017  -7.094          0.000
-ATOM     30  CA  ALA    16      10.835   2.432  -4.170          0.000
-ATOM     31  CB  ALA    16      11.205   2.839  -3.625          0.001
-ATOM     32  CA  ALA    17      10.236   5.999  -5.336          0.000
-ATOM     33  CB  ALA    17      10.274   6.368  -5.872          0.002
-ATOM     34  CA  GLY    18       6.754   7.363  -4.737          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    0.92                                       ENERGY     3.33532E+02
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.015  -0.014   0.007          0.001
-ATOM      2  CA  ALA     2       3.805   0.032   0.032          0.000
-ATOM      3  CB  ALA     2       4.093   0.407   0.618          0.001
-ATOM      4  CA  ALA     3       6.757  -2.329   0.002          0.000
-ATOM      5  CB  ALA     3       6.744  -2.761  -0.588          0.001
-ATOM      6  CA  ALA     4      10.317  -1.186   0.574          0.001
-ATOM      7  CB  ALA     4      10.492  -1.370   1.261          0.003
-ATOM      8  CA  CYS     5      12.708  -3.794  -0.728          0.206
-ATOM      9  CB  CYS     5      12.015  -4.407  -1.611          0.002
-ATOM     10  CA  ALA     6      16.435  -4.761  -0.996          0.022
-ATOM     11  CB  ALA     6      16.962  -4.248  -0.512          0.049
-ATOM     12  CA  ALA     7      15.867  -8.814  -0.114          0.188
-ATOM     13  CB  ALA     7      15.403  -7.148   0.220          0.108
-ATOM     14  CA  ALA     8      14.473 -10.615  -3.146          0.035
-ATOM     15  CB  ALA     8      15.172 -10.356  -3.353          0.016
-ATOM     16  CA  ALA     9      13.667 -14.218  -2.527          0.002
-ATOM     17  CB  ALA     9      13.761 -14.381  -1.842          0.007
-ATOM     18  CA  ALA    10       9.958 -13.430  -2.418          0.001
-ATOM     19  CB  ALA    10       9.588 -12.898  -2.051          0.000
-ATOM     20  CA  ALA    11       8.131 -14.333  -5.597          0.002
-ATOM     21  CB  ALA    11       7.433 -14.373  -5.770          0.003
-ATOM     22  CA  ALA    12       8.239 -10.689  -6.673          0.002
-ATOM     23  CB  ALA    12       7.563 -10.557  -6.404          0.001
-ATOM     24  CA  ALA    13      10.017  -7.461  -7.655          0.001
-ATOM     25  CB  ALA    13      10.008  -7.441  -8.403          0.001
-ATOM     26  CA  CYS    14       9.750  -4.085  -5.859          0.002
-ATOM     27  CB  CYS    14       9.666  -4.292  -4.596          0.003
-ATOM     28  CA  ALA    15      11.048  -0.545  -6.590          0.001
-ATOM     29  CB  ALA    15      11.088   0.014  -7.091          0.001
-ATOM     30  CA  ALA    16      10.841   2.422  -4.183          0.002
-ATOM     31  CB  ALA    16      11.202   2.825  -3.636          0.006
-ATOM     32  CA  ALA    17      10.237   5.990  -5.313          0.001
-ATOM     33  CB  ALA    17      10.279   6.383  -5.895          0.012
-ATOM     34  CA  GLY    18       6.747   7.368  -4.741          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    1.25                                       ENERGY     1.66424E+02
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.002  -0.024   0.000          0.001
-ATOM      2  CA  ALA     2       3.805   0.057   0.050          0.001
-ATOM      3  CB  ALA     2       4.090   0.412   0.612          0.001
-ATOM      4  CA  ALA     3       6.751  -2.350  -0.005          0.000
-ATOM      5  CB  ALA     3       6.742  -2.773  -0.598          0.003
-ATOM      6  CA  ALA     4      10.310  -1.153   0.578          0.025
-ATOM      7  CB  ALA     4      10.491  -1.350   1.275          0.004
-ATOM      8  CA  CYS     5      12.753  -3.848  -0.738          0.121
-ATOM      9  CB  CYS     5      12.037  -4.409  -1.601          0.011
-ATOM     10  CA  ALA     6      16.535  -4.905  -1.093          0.110
-ATOM     11  CB  ALA     6      17.019  -4.248  -0.578          0.122
-ATOM     12  CA  ALA     7      15.670  -8.588  -0.046          0.207
-ATOM     13  CB  ALA     7      15.347  -7.188   0.345          0.252
-ATOM     14  CA  ALA     8      14.551 -10.597  -3.172          0.014
-ATOM     15  CB  ALA     8      15.164 -10.359  -3.361          0.003
-ATOM     16  CA  ALA     9      13.646 -14.258  -2.542          0.009
-ATOM     17  CB  ALA     9      13.763 -14.406  -1.816          0.010
-ATOM     18  CA  ALA    10       9.948 -13.432  -2.384          0.001
-ATOM     19  CB  ALA    10       9.592 -12.895  -2.046          0.001
-ATOM     20  CA  ALA    11       8.152 -14.328  -5.615          0.004
-ATOM     21  CB  ALA    11       7.417 -14.382  -5.778          0.002
-ATOM     22  CA  ALA    12       8.230 -10.677  -6.685          0.003
-ATOM     23  CB  ALA    12       7.561 -10.544  -6.403          0.002
-ATOM     24  CA  ALA    13      10.005  -7.447  -7.641          0.002
-ATOM     25  CB  ALA    13      10.007  -7.436  -8.389          0.003
-ATOM     26  CA  CYS    14       9.768  -4.084  -5.853          0.002
-ATOM     27  CB  CYS    14       9.676  -4.289  -4.618          0.007
-ATOM     28  CA  ALA    15      11.030  -0.552  -6.566          0.002
-ATOM     29  CB  ALA    15      11.078  -0.001  -7.084          0.007
-ATOM     30  CA  ALA    16      10.853   2.407  -4.191          0.001
-ATOM     31  CB  ALA    16      11.197   2.796  -3.653          0.012
-ATOM     32  CA  ALA    17      10.236   5.990  -5.289          0.001
-ATOM     33  CB  ALA    17      10.287   6.401  -5.929          0.010
-ATOM     34  CA  GLY    18       6.738   7.372  -4.745          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    1.58                                       ENERGY     9.64638E+01
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1      -0.002  -0.034  -0.007          0.001
-ATOM      2  CA  ALA     2       3.796   0.057   0.058          0.003
-ATOM      3  CB  ALA     2       4.092   0.423   0.621          0.003
-ATOM      4  CA  ALA     3       6.734  -2.337   0.000          0.026
-ATOM      5  CB  ALA     3       6.737  -2.781  -0.610          0.000
-ATOM      6  CA  ALA     4      10.346  -1.203   0.549          0.087
-ATOM      7  CB  ALA     4      10.499  -1.342   1.274          0.003
-ATOM      8  CA  CYS     5      12.854  -3.898  -0.741          0.015
-ATOM      9  CB  CYS     5      12.075  -4.409  -1.588          0.016
-ATOM     10  CA  ALA     6      16.576  -4.878  -1.121          0.179
-ATOM     11  CB  ALA     6      16.992  -4.299  -0.727          0.291
-ATOM     12  CA  ALA     7      15.423  -8.497  -0.020          0.158
-ATOM     13  CB  ALA     7      15.306  -7.240   0.412          0.142
-ATOM     14  CA  ALA     8      14.607 -10.571  -3.091          0.016
-ATOM     15  CB  ALA     8      15.211 -10.336  -3.368          0.036
-ATOM     16  CA  ALA     9      13.654 -14.253  -2.566          0.000
-ATOM     17  CB  ALA     9      13.774 -14.419  -1.816          0.004
-ATOM     18  CA  ALA    10       9.926 -13.462  -2.364          0.001
-ATOM     19  CB  ALA    10       9.589 -12.887  -2.040          0.001
-ATOM     20  CA  ALA    11       8.177 -14.306  -5.633          0.006
-ATOM     21  CB  ALA    11       7.426 -14.394  -5.775          0.008
-ATOM     22  CA  ALA    12       8.219 -10.666  -6.703          0.002
-ATOM     23  CB  ALA    12       7.558 -10.525  -6.403          0.004
-ATOM     24  CA  ALA    13       9.994  -7.434  -7.630          0.001
-ATOM     25  CB  ALA    13      10.010  -7.428  -8.371          0.003
-ATOM     26  CA  CYS    14       9.785  -4.083  -5.843          0.001
-ATOM     27  CB  CYS    14       9.689  -4.287  -4.641          0.004
-ATOM     28  CA  ALA    15      11.017  -0.563  -6.555          0.001
-ATOM     29  CB  ALA    15      11.063  -0.029  -7.075          0.010
-ATOM     30  CA  ALA    16      10.853   2.402  -4.185          0.001
-ATOM     31  CB  ALA    16      11.194   2.767  -3.659          0.004
-ATOM     32  CA  ALA    17      10.234   6.004  -5.287          0.001
-ATOM     33  CB  ALA    17      10.293   6.404  -5.940          0.001
-ATOM     34  CA  GLY    18       6.725   7.371  -4.737          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    1.77                                       ENERGY     7.21918E+01
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1      -0.001  -0.039  -0.011          0.002
-ATOM      2  CA  ALA     2       3.785   0.055   0.062          0.003
-ATOM      3  CB  ALA     2       4.094   0.431   0.628          0.004
-ATOM      4  CA  ALA     3       6.736  -2.318   0.001          0.059
-ATOM      5  CB  ALA     3       6.737  -2.778  -0.611          0.001
-ATOM      6  CA  ALA     4      10.386  -1.282   0.517          0.075
-ATOM      7  CB  ALA     4      10.508  -1.347   1.263          0.009
-ATOM      8  CA  CYS     5      12.899  -3.887  -0.731          0.002
-ATOM      9  CB  CYS     5      12.096  -4.399  -1.578          0.021
-ATOM     10  CA  ALA     6      16.555  -4.880  -1.134          0.139
-ATOM     11  CB  ALA     6      16.964  -4.339  -0.811          0.244
-ATOM     12  CA  ALA     7      15.334  -8.439   0.011          0.145
-ATOM     13  CB  ALA     7      15.279  -7.243   0.432          0.145
-ATOM     14  CA  ALA     8      14.605 -10.595  -3.045          0.017
-ATOM     15  CB  ALA     8      15.243 -10.327  -3.381          0.027
-ATOM     16  CA  ALA     9      13.666 -14.218  -2.565          0.002
-ATOM     17  CB  ALA     9      13.779 -14.416  -1.832          0.011
-ATOM     18  CA  ALA    10       9.918 -13.486  -2.359          0.002
-ATOM     19  CB  ALA    10       9.589 -12.885  -2.038          0.000
-ATOM     20  CA  ALA    11       8.182 -14.294  -5.644          0.007
-ATOM     21  CB  ALA    11       7.442 -14.404  -5.765          0.018
-ATOM     22  CA  ALA    12       8.213 -10.655  -6.712          0.002
-ATOM     23  CB  ALA    12       7.556 -10.511  -6.402          0.006
-ATOM     24  CA  ALA    13       9.990  -7.431  -7.626          0.000
-ATOM     25  CB  ALA    13      10.012  -7.425  -8.363          0.002
-ATOM     26  CA  CYS    14       9.790  -4.084  -5.842          0.001
-ATOM     27  CB  CYS    14       9.696  -4.288  -4.648          0.002
-ATOM     28  CA  ALA    15      11.018  -0.565  -6.550          0.001
-ATOM     29  CB  ALA    15      11.056  -0.046  -7.073          0.009
-ATOM     30  CA  ALA    16      10.844   2.408  -4.186          0.003
-ATOM     31  CB  ALA    16      11.196   2.757  -3.654          0.004
-ATOM     32  CA  ALA    17      10.234   6.009  -5.294          0.000
-ATOM     33  CB  ALA    17      10.296   6.396  -5.936          0.004
-ATOM     34  CA  GLY    18       6.721   7.370  -4.732          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    1.80                                       ENERGY     6.27340E+01
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1      -0.001  -0.040  -0.012          0.001
-ATOM      2  CA  ALA     2       3.783   0.055   0.063          0.002
-ATOM      3  CB  ALA     2       4.094   0.433   0.629          0.003
-ATOM      4  CA  ALA     3       6.738  -2.315   0.001          0.047
-ATOM      5  CB  ALA     3       6.738  -2.777  -0.610          0.001
-ATOM      6  CA  ALA     4      10.391  -1.295   0.513          0.053
-ATOM      7  CB  ALA     4      10.509  -1.348   1.261          0.007
-ATOM      8  CA  CYS     5      12.904  -3.883  -0.729          0.003
-ATOM      9  CB  CYS     5      12.099  -4.397  -1.576          0.017
-ATOM     10  CA  ALA     6      16.551  -4.886  -1.138          0.132
-ATOM     11  CB  ALA     6      16.960  -4.345  -0.823          0.179
-ATOM     12  CA  ALA     7      15.324  -8.417   0.017          0.147
-ATOM     13  CB  ALA     7      15.274  -7.254   0.435          0.226
-ATOM     14  CA  ALA     8      14.604 -10.600  -3.039          0.014
-ATOM     15  CB  ALA     8      15.247 -10.327  -3.382          0.018
-ATOM     16  CA  ALA     9      13.667 -14.214  -2.563          0.002
-ATOM     17  CB  ALA     9      13.780 -14.415  -1.835          0.009
-ATOM     18  CA  ALA    10       9.918 -13.489  -2.359          0.001
-ATOM     19  CB  ALA    10       9.590 -12.884  -2.038          0.000
-ATOM     20  CA  ALA    11       8.183 -14.293  -5.645          0.005
-ATOM     21  CB  ALA    11       7.445 -14.406  -5.763          0.015
-ATOM     22  CA  ALA    12       8.211 -10.653  -6.713          0.002
-ATOM     23  CB  ALA    12       7.556 -10.509  -6.402          0.005
-ATOM     24  CA  ALA    13       9.990  -7.431  -7.625          0.000
-ATOM     25  CB  ALA    13      10.013  -7.424  -8.362          0.002
-ATOM     26  CA  CYS    14       9.790  -4.085  -5.842          0.000
-ATOM     27  CB  CYS    14       9.697  -4.288  -4.649          0.002
-ATOM     28  CA  ALA    15      11.019  -0.565  -6.549          0.001
-ATOM     29  CB  ALA    15      11.054  -0.048  -7.072          0.006
-ATOM     30  CA  ALA    16      10.842   2.409  -4.186          0.003
-ATOM     31  CB  ALA    16      11.197   2.756  -3.653          0.003
-ATOM     32  CA  ALA    17      10.234   6.010  -5.295          0.000
-ATOM     33  CB  ALA    17      10.297   6.394  -5.935          0.004
-ATOM     34  CA  GLY    18       6.720   7.370  -4.731          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    1.98                                       ENERGY     4.98102E+01
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1      -0.009  -0.048  -0.018          0.003
-ATOM      2  CA  ALA     2       3.774   0.059   0.075          0.004
-ATOM      3  CB  ALA     2       4.095   0.443   0.636          0.003
-ATOM      4  CA  ALA     3       6.757  -2.300  -0.008          0.055
-ATOM      5  CB  ALA     3       6.742  -2.767  -0.603          0.006
-ATOM      6  CA  ALA     4      10.422  -1.383   0.486          0.049
-ATOM      7  CB  ALA     4      10.515  -1.352   1.243          0.012
-ATOM      8  CA  CYS     5      12.934  -3.864  -0.721          0.026
-ATOM      9  CB  CYS     5      12.121  -4.382  -1.561          0.030
-ATOM     10  CA  ALA     6      16.521  -4.916  -1.177          0.089
-ATOM     11  CB  ALA     6      16.947  -4.375  -0.898          0.175
-ATOM     12  CA  ALA     7      15.262  -8.364   0.055          0.178
-ATOM     13  CB  ALA     7      15.222  -7.249   0.470          0.303
-ATOM     14  CA  ALA     8      14.613 -10.592  -3.001          0.023
-ATOM     15  CB  ALA     8      15.266 -10.318  -3.390          0.005
-ATOM     16  CA  ALA     9      13.664 -14.205  -2.548          0.002
-ATOM     17  CB  ALA     9      13.781 -14.418  -1.858          0.018
-ATOM     18  CA  ALA    10       9.920 -13.501  -2.357          0.002
-ATOM     19  CB  ALA    10       9.597 -12.885  -2.042          0.005
-ATOM     20  CA  ALA    11       8.185 -14.286  -5.658          0.006
-ATOM     21  CB  ALA    11       7.467 -14.422  -5.749          0.030
-ATOM     22  CA  ALA    12       8.200 -10.639  -6.720          0.003
-ATOM     23  CB  ALA    12       7.552 -10.492  -6.400          0.010
-ATOM     24  CA  ALA    13       9.990  -7.430  -7.623          0.000
-ATOM     25  CB  ALA    13      10.017  -7.420  -8.356          0.002
-ATOM     26  CA  CYS    14       9.791  -4.086  -5.846          0.001
-ATOM     27  CB  CYS    14       9.704  -4.290  -4.652          0.002
-ATOM     28  CA  ALA    15      11.026  -0.563  -6.540          0.003
-ATOM     29  CB  ALA    15      11.047  -0.062  -7.074          0.007
-ATOM     30  CA  ALA    16      10.825   2.421  -4.195          0.006
-ATOM     31  CB  ALA    16      11.203   2.749  -3.644          0.006
-ATOM     32  CA  ALA    17      10.232   6.010  -5.299          0.000
-ATOM     33  CB  ALA    17      10.301   6.382  -5.929          0.006
-ATOM     34  CA  GLY    18       6.721   7.368  -4.726          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    2.01                                       ENERGY     4.24596E+01
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1      -0.011  -0.050  -0.020          0.003
-ATOM      2  CA  ALA     2       3.774   0.060   0.077          0.004
-ATOM      3  CB  ALA     2       4.095   0.444   0.637          0.003
-ATOM      4  CA  ALA     3       6.760  -2.298  -0.010          0.038
-ATOM      5  CB  ALA     3       6.743  -2.766  -0.602          0.005
-ATOM      6  CA  ALA     4      10.425  -1.394   0.484          0.034
-ATOM      7  CB  ALA     4      10.516  -1.352   1.240          0.010
-ATOM      8  CA  CYS     5      12.938  -3.862  -0.720          0.029
-ATOM      9  CB  CYS     5      12.125  -4.380  -1.559          0.024
-ATOM     10  CA  ALA     6      16.517  -4.924  -1.185          0.086
-ATOM     11  CB  ALA     6      16.946  -4.379  -0.909          0.134
-ATOM     12  CA  ALA     7      15.254  -8.344   0.060          0.184
-ATOM     13  CB  ALA     7      15.212  -7.261   0.477          0.366
-ATOM     14  CA  ALA     8      14.616 -10.590  -2.995          0.018
-ATOM     15  CB  ALA     8      15.267 -10.317  -3.390          0.002
-ATOM     16  CA  ALA     9      13.662 -14.206  -2.545          0.002
-ATOM     17  CB  ALA     9      13.781 -14.419  -1.861          0.014
-ATOM     18  CA  ALA    10       9.920 -13.502  -2.357          0.002
-ATOM     19  CB  ALA    10       9.598 -12.885  -2.043          0.004
-ATOM     20  CA  ALA    11       8.186 -14.285  -5.660          0.004
-ATOM     21  CB  ALA    11       7.471 -14.424  -5.747          0.025
-ATOM     22  CA  ALA    12       8.198 -10.637  -6.721          0.002
-ATOM     23  CB  ALA    12       7.552 -10.490  -6.400          0.008
-ATOM     24  CA  ALA    13       9.991  -7.429  -7.622          0.000
-ATOM     25  CB  ALA    13      10.018  -7.419  -8.356          0.002
-ATOM     26  CA  CYS    14       9.791  -4.086  -5.847          0.001
-ATOM     27  CB  CYS    14       9.705  -4.290  -4.652          0.001
-ATOM     28  CA  ALA    15      11.028  -0.563  -6.538          0.002
-ATOM     29  CB  ALA    15      11.045  -0.064  -7.074          0.006
-ATOM     30  CA  ALA    16      10.823   2.423  -4.196          0.005
-ATOM     31  CB  ALA    16      11.204   2.748  -3.642          0.005
-ATOM     32  CA  ALA    17      10.231   6.011  -5.300          0.000
-ATOM     33  CB  ALA    17      10.302   6.380  -5.927          0.005
-ATOM     34  CA  GLY    18       6.722   7.368  -4.725          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    2.26                                       ENERGY     2.29728E+01
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1      -0.037  -0.065  -0.033          0.002
-ATOM      2  CA  ALA     2       3.780   0.066   0.106          0.002
-ATOM      3  CB  ALA     2       4.098   0.455   0.643          0.003
-ATOM      4  CA  ALA     3       6.786  -2.290  -0.042          0.002
-ATOM      5  CB  ALA     3       6.748  -2.752  -0.591          0.002
-ATOM      6  CA  ALA     4      10.423  -1.456   0.491          0.017
-ATOM      7  CB  ALA     4      10.513  -1.340   1.211          0.017
-ATOM      8  CA  CYS     5      12.966  -3.881  -0.735          0.093
-ATOM      9  CB  CYS     5      12.162  -4.369  -1.540          0.024
-ATOM     10  CA  ALA     6      16.509  -4.968  -1.273          0.056
-ATOM     11  CB  ALA     6      16.959  -4.400  -1.002          0.140
-ATOM     12  CA  ALA     7      15.174  -8.285   0.095          0.156
-ATOM     13  CB  ALA     7      15.106  -7.299   0.552          0.508
-ATOM     14  CA  ALA     8      14.666 -10.519  -2.940          0.025
-ATOM     15  CB  ALA     8      15.259 -10.307  -3.376          0.014
-ATOM     16  CA  ALA     9      13.643 -14.228  -2.529          0.002
-ATOM     17  CB  ALA     9      13.783 -14.440  -1.882          0.009
-ATOM     18  CA  ALA    10       9.920 -13.498  -2.364          0.003
-ATOM     19  CB  ALA    10       9.615 -12.894  -2.058          0.010
-ATOM     20  CA  ALA    11       8.205 -14.276  -5.672          0.002
-ATOM     21  CB  ALA    11       7.500 -14.454  -5.727          0.032
-ATOM     22  CA  ALA    12       8.171 -10.625  -6.726          0.001
-ATOM     23  CB  ALA    12       7.541 -10.464  -6.394          0.014
-ATOM     24  CA  ALA    13      10.002  -7.427  -7.625          0.001
-ATOM     25  CB  ALA    13      10.029  -7.411  -8.356          0.003
-ATOM     26  CA  CYS    14       9.789  -4.083  -5.857          0.001
-ATOM     27  CB  CYS    14       9.715  -4.293  -4.648          0.002
-ATOM     28  CA  ALA    15      11.043  -0.558  -6.519          0.003
-ATOM     29  CB  ALA    15      11.033  -0.081  -7.083          0.008
-ATOM     30  CA  ALA    16      10.799   2.441  -4.203          0.005
-ATOM     31  CB  ALA    16      11.210   2.733  -3.629          0.008
-ATOM     32  CA  ALA    17      10.222   6.014  -5.299          0.001
-ATOM     33  CB  ALA    17      10.309   6.367  -5.924          0.003
-ATOM     34  CA  GLY    18       6.726   7.364  -4.717          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    2.30                                       ENERGY     1.71918E+01
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1      -0.040  -0.067  -0.034          0.002
-ATOM      2  CA  ALA     2       3.781   0.066   0.110          0.001
-ATOM      3  CB  ALA     2       4.099   0.457   0.644          0.002
-ATOM      4  CA  ALA     3       6.787  -2.289  -0.046          0.001
-ATOM      5  CB  ALA     3       6.748  -2.751  -0.590          0.001
-ATOM      6  CA  ALA     4      10.421  -1.459   0.494          0.012
-ATOM      7  CB  ALA     4      10.512  -1.337   1.208          0.014
-ATOM      8  CA  CYS     5      12.968  -3.887  -0.738          0.085
-ATOM      9  CB  CYS     5      12.166  -4.368  -1.538          0.018
-ATOM     10  CA  ALA     6      16.512  -4.976  -1.285          0.060
-ATOM     11  CB  ALA     6      16.961  -4.404  -1.013          0.118
-ATOM     12  CA  ALA     7      15.164  -8.265   0.099          0.146
-ATOM     13  CB  ALA     7      15.093  -7.316   0.563          0.518
-ATOM     14  CA  ALA     8      14.672 -10.515  -2.933          0.019
-ATOM     15  CB  ALA     8      15.257 -10.308  -3.373          0.014
-ATOM     16  CA  ALA     9      13.642 -14.227  -2.529          0.002
-ATOM     17  CB  ALA     9      13.784 -14.443  -1.883          0.007
-ATOM     18  CA  ALA    10       9.919 -13.497  -2.365          0.003
-ATOM     19  CB  ALA    10       9.617 -12.895  -2.061          0.008
-ATOM     20  CA  ALA    11       8.208 -14.274  -5.673          0.002
-ATOM     21  CB  ALA    11       7.503 -14.459  -5.725          0.026
-ATOM     22  CA  ALA    12       8.168 -10.624  -6.727          0.001
-ATOM     23  CB  ALA    12       7.540 -10.461  -6.393          0.013
-ATOM     24  CA  ALA    13      10.004  -7.427  -7.626          0.001
-ATOM     25  CB  ALA    13      10.030  -7.410  -8.357          0.003
-ATOM     26  CA  CYS    14       9.788  -4.082  -5.858          0.001
-ATOM     27  CB  CYS    14       9.716  -4.293  -4.647          0.002
-ATOM     28  CA  ALA    15      11.045  -0.558  -6.517          0.002
-ATOM     29  CB  ALA    15      11.032  -0.082  -7.085          0.007
-ATOM     30  CA  ALA    16      10.797   2.443  -4.203          0.004
-ATOM     31  CB  ALA    16      11.211   2.730  -3.627          0.007
-ATOM     32  CA  ALA    17      10.221   6.015  -5.298          0.001
-ATOM     33  CB  ALA    17      10.310   6.366  -5.925          0.002
-ATOM     34  CA  GLY    18       6.726   7.364  -4.716          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    2.32                                       ENERGY     1.22869E+01
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1      -0.041  -0.069  -0.036          0.001
-ATOM      2  CA  ALA     2       3.782   0.066   0.113          0.000
-ATOM      3  CB  ALA     2       4.099   0.458   0.645          0.002
-ATOM      4  CA  ALA     3       6.787  -2.288  -0.049          0.001
-ATOM      5  CB  ALA     3       6.749  -2.750  -0.590          0.001
-ATOM      6  CA  ALA     4      10.420  -1.461   0.497          0.010
-ATOM      7  CB  ALA     4      10.512  -1.335   1.206          0.013
-ATOM      8  CA  CYS     5      12.970  -3.891  -0.741          0.080
-ATOM      9  CB  CYS     5      12.170  -4.368  -1.536          0.015
-ATOM     10  CA  ALA     6      16.515  -4.982  -1.294          0.065
-ATOM     11  CB  ALA     6      16.964  -4.407  -1.023          0.107
-ATOM     12  CA  ALA     7      15.156  -8.246   0.102          0.138
-ATOM     13  CB  ALA     7      15.082  -7.333   0.571          0.534
-ATOM     14  CA  ALA     8      14.677 -10.514  -2.927          0.015
-ATOM     15  CB  ALA     8      15.254 -10.309  -3.371          0.015
-ATOM     16  CA  ALA     9      13.641 -14.224  -2.529          0.003
-ATOM     17  CB  ALA     9      13.785 -14.445  -1.884          0.006
-ATOM     18  CA  ALA    10       9.918 -13.497  -2.366          0.002
-ATOM     19  CB  ALA    10       9.618 -12.896  -2.062          0.007
-ATOM     20  CA  ALA    11       8.211 -14.273  -5.674          0.001
-ATOM     21  CB  ALA    11       7.505 -14.462  -5.723          0.023
-ATOM     22  CA  ALA    12       8.165 -10.623  -6.727          0.001
-ATOM     23  CB  ALA    12       7.538 -10.458  -6.393          0.012
-ATOM     24  CA  ALA    13      10.006  -7.427  -7.627          0.001
-ATOM     25  CB  ALA    13      10.031  -7.409  -8.358          0.003
-ATOM     26  CA  CYS    14       9.788  -4.081  -5.859          0.001
-ATOM     27  CB  CYS    14       9.717  -4.293  -4.647          0.001
-ATOM     28  CA  ALA    15      11.047  -0.557  -6.516          0.002
-ATOM     29  CB  ALA    15      11.030  -0.084  -7.086          0.006
-ATOM     30  CA  ALA    16      10.795   2.444  -4.203          0.003
-ATOM     31  CB  ALA    16      11.211   2.728  -3.626          0.007
-ATOM     32  CA  ALA    17      10.220   6.016  -5.298          0.001
-ATOM     33  CB  ALA    17      10.311   6.366  -5.925          0.002
-ATOM     34  CA  GLY    18       6.726   7.363  -4.715          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    2.71                                       ENERGY    -9.11655E-01
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1      -0.015  -0.087  -0.053          0.001
-ATOM      2  CA  ALA     2       3.769   0.052   0.149          0.011
-ATOM      3  CB  ALA     2       4.102   0.479   0.662          0.006
-ATOM      4  CA  ALA     3       6.742  -2.261  -0.082          0.004
-ATOM      5  CB  ALA     3       6.756  -2.759  -0.608          0.010
-ATOM      6  CA  ALA     4      10.411  -1.452   0.527          0.005
-ATOM      7  CB  ALA     4      10.515  -1.278   1.199          0.026
-ATOM      8  CA  CYS     5      12.980  -3.976  -0.767          0.068
-ATOM      9  CB  CYS     5      12.208  -4.377  -1.527          0.004
-ATOM     10  CA  ALA     6      16.598  -5.045  -1.432          0.059
-ATOM     11  CB  ALA     6      17.005  -4.463  -1.164          0.148
-ATOM     12  CA  ALA     7      15.041  -8.139   0.153          0.119
-ATOM     13  CB  ALA     7      14.932  -7.381   0.694          0.393
-ATOM     14  CA  ALA     8      14.706 -10.536  -2.840          0.015
-ATOM     15  CB  ALA     8      15.206 -10.339  -3.337          0.024
-ATOM     16  CA  ALA     9      13.663 -14.116  -2.552          0.019
-ATOM     17  CB  ALA     9      13.817 -14.470  -1.873          0.010
-ATOM     18  CA  ALA    10       9.905 -13.502  -2.376          0.002
-ATOM     19  CB  ALA    10       9.638 -12.901  -2.083          0.004
-ATOM     20  CA  ALA    11       8.250 -14.261  -5.686          0.002
-ATOM     21  CB  ALA    11       7.543 -14.522  -5.708          0.030
-ATOM     22  CA  ALA    12       8.125 -10.603  -6.729          0.001
-ATOM     23  CB  ALA    12       7.507 -10.409  -6.373          0.025
-ATOM     24  CA  ALA    13      10.027  -7.439  -7.638          0.000
-ATOM     25  CB  ALA    13      10.052  -7.398  -8.376          0.006
-ATOM     26  CA  CYS    14       9.785  -4.069  -5.862          0.002
-ATOM     27  CB  CYS    14       9.730  -4.292  -4.634          0.002
-ATOM     28  CA  ALA    15      11.071  -0.542  -6.500          0.003
-ATOM     29  CB  ALA    15      11.009  -0.111  -7.109          0.010
-ATOM     30  CA  ALA    16      10.774   2.451  -4.175          0.003
-ATOM     31  CB  ALA    16      11.206   2.678  -3.620          0.017
-ATOM     32  CA  ALA    17      10.218   6.041  -5.298          0.003
-ATOM     33  CB  ALA    17      10.333   6.364  -5.952          0.010
-ATOM     34  CA  GLY    18       6.707   7.363  -4.698          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    3.30                                       ENERGY    -1.02315E+01
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1      -0.046  -0.148  -0.093          0.004
-ATOM      2  CA  ALA     2       3.758   0.106   0.226          0.001
-ATOM      3  CB  ALA     2       4.099   0.534   0.691          0.019
-ATOM      4  CA  ALA     3       6.723  -2.259  -0.111          0.015
-ATOM      5  CB  ALA     3       6.784  -2.794  -0.652          0.003
-ATOM      6  CA  ALA     4      10.428  -1.517   0.460          0.017
-ATOM      7  CB  ALA     4      10.544  -1.186   1.202          0.037
-ATOM      8  CA  CYS     5      13.080  -4.001  -0.669          0.015
-ATOM      9  CB  CYS     5      12.225  -4.411  -1.567          0.007
-ATOM     10  CA  ALA     6      16.565  -5.189  -1.608          0.047
-ATOM     11  CB  ALA     6      17.042  -4.609  -1.393          0.243
-ATOM     12  CA  ALA     7      14.925  -7.970   0.262          0.183
-ATOM     13  CB  ALA     7      14.782  -7.433   0.788          0.234
-ATOM     14  CA  ALA     8      14.679 -10.419  -2.723          0.034
-ATOM     15  CB  ALA     8      15.130 -10.347  -3.315          0.020
-ATOM     16  CA  ALA     9      13.720 -14.118  -2.456          0.019
-ATOM     17  CB  ALA     9      13.845 -14.563  -1.934          0.041
-ATOM     18  CA  ALA    10       9.966 -13.448  -2.421          0.015
-ATOM     19  CB  ALA    10       9.667 -12.833  -2.097          0.019
-ATOM     20  CA  ALA    11       8.257 -14.261  -5.715          0.004
-ATOM     21  CB  ALA    11       7.614 -14.620  -5.746          0.042
-ATOM     22  CA  ALA    12       8.074 -10.575  -6.696          0.006
-ATOM     23  CB  ALA    12       7.466 -10.319  -6.333          0.024
-ATOM     24  CA  ALA    13      10.032  -7.428  -7.654          0.001
-ATOM     25  CB  ALA    13      10.086  -7.369  -8.400          0.004
-ATOM     26  CA  CYS    14       9.813  -4.070  -5.853          0.003
-ATOM     27  CB  CYS    14       9.764  -4.287  -4.628          0.006
-ATOM     28  CA  ALA    15      11.084  -0.528  -6.477          0.004
-ATOM     29  CB  ALA    15      10.968  -0.182  -7.134          0.027
-ATOM     30  CA  ALA    16      10.735   2.476  -4.153          0.007
-ATOM     31  CB  ALA    16      11.207   2.591  -3.593          0.024
-ATOM     32  CA  ALA    17      10.207   6.071  -5.298          0.000
-ATOM     33  CB  ALA    17      10.373   6.350  -5.992          0.006
-ATOM     34  CA  GLY    18       6.686   7.362  -4.668          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    4.04                                       ENERGY    -7.31735E+00
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1      -0.014  -0.204  -0.115          0.014
-ATOM      2  CA  ALA     2       3.762   0.076   0.271          0.007
-ATOM      3  CB  ALA     2       4.102   0.603   0.755          0.003
-ATOM      4  CA  ALA     3       6.738  -2.196  -0.158          0.007
-ATOM      5  CB  ALA     3       6.809  -2.761  -0.668          0.006
-ATOM      6  CA  ALA     4      10.415  -1.590   0.504          0.040
-ATOM      7  CB  ALA     4      10.554  -1.149   1.012          0.043
-ATOM      8  CA  CYS     5      13.031  -4.024  -0.700          0.039
-ATOM      9  CB  CYS     5      12.306  -4.422  -1.576          0.021
-ATOM     10  CA  ALA     6      16.447  -5.345  -1.709          0.020
-ATOM     11  CB  ALA     6      17.057  -4.861  -1.667          0.284
-ATOM     12  CA  ALA     7      14.843  -7.924   0.362          0.123
-ATOM     13  CB  ALA     7      14.715  -7.356   0.914          0.243
-ATOM     14  CA  ALA     8      14.560 -10.346  -2.633          0.033
-ATOM     15  CB  ALA     8      14.973 -10.372  -3.233          0.091
-ATOM     16  CA  ALA     9      13.808 -14.020  -2.374          0.013
-ATOM     17  CB  ALA     9      13.918 -14.670  -1.948          0.020
-ATOM     18  CA  ALA    10      10.062 -13.337  -2.469          0.032
-ATOM     19  CB  ALA    10       9.741 -12.777  -2.149          0.031
-ATOM     20  CA  ALA    11       8.294 -14.217  -5.732          0.003
-ATOM     21  CB  ALA    11       7.703 -14.677  -5.849          0.046
-ATOM     22  CA  ALA    12       8.026 -10.529  -6.629          0.009
-ATOM     23  CB  ALA    12       7.460 -10.205  -6.291          0.032
-ATOM     24  CA  ALA    13       9.954  -7.428  -7.656          0.000
-ATOM     25  CB  ALA    13      10.113  -7.337  -8.373          0.006
-ATOM     26  CA  CYS    14       9.899  -4.093  -5.852          0.001
-ATOM     27  CB  CYS    14       9.839  -4.280  -4.638          0.015
-ATOM     28  CA  ALA    15      11.030  -0.505  -6.435          0.004
-ATOM     29  CB  ALA    15      10.913  -0.300  -7.127          0.031
-ATOM     30  CA  ALA    16      10.722   2.518  -4.153          0.001
-ATOM     31  CB  ALA    16      11.183   2.473  -3.576          0.036
-ATOM     32  CA  ALA    17      10.188   6.080  -5.336          0.002
-ATOM     33  CB  ALA    17      10.413   6.294  -5.985          0.011
-ATOM     34  CA  GLY    18       6.680   7.367  -4.619          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    4.07                                       ENERGY    -8.04557E+00
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1      -0.011  -0.206  -0.116          0.012
-ATOM      2  CA  ALA     2       3.764   0.075   0.274          0.007
-ATOM      3  CB  ALA     2       4.100   0.602   0.755          0.005
-ATOM      4  CA  ALA     3       6.738  -2.192  -0.158          0.008
-ATOM      5  CB  ALA     3       6.809  -2.758  -0.668          0.006
-ATOM      6  CA  ALA     4      10.410  -1.593   0.502          0.039
-ATOM      7  CB  ALA     4      10.555  -1.144   1.008          0.043
-ATOM      8  CA  CYS     5      13.027  -4.026  -0.703          0.033
-ATOM      9  CB  CYS     5      12.310  -4.422  -1.576          0.020
-ATOM     10  CA  ALA     6      16.445  -5.348  -1.714          0.020
-ATOM     11  CB  ALA     6      17.057  -4.872  -1.678          0.278
-ATOM     12  CA  ALA     7      14.837  -7.919   0.364          0.117
-ATOM     13  CB  ALA     7      14.714  -7.368   0.922          0.269
-ATOM     14  CA  ALA     8      14.558 -10.332  -2.629          0.038
-ATOM     15  CB  ALA     8      14.966 -10.370  -3.228          0.087
-ATOM     16  CA  ALA     9      13.811 -14.028  -2.368          0.013
-ATOM     17  CB  ALA     9      13.920 -14.672  -1.951          0.019
-ATOM     18  CA  ALA    10      10.066 -13.331  -2.473          0.031
-ATOM     19  CB  ALA    10       9.744 -12.774  -2.152          0.030
-ATOM     20  CA  ALA    11       8.296 -14.215  -5.733          0.003
-ATOM     21  CB  ALA    11       7.708 -14.677  -5.852          0.045
-ATOM     22  CA  ALA    12       8.023 -10.528  -6.627          0.009
-ATOM     23  CB  ALA    12       7.460 -10.200  -6.289          0.032
-ATOM     24  CA  ALA    13       9.952  -7.427  -7.657          0.000
-ATOM     25  CB  ALA    13      10.114  -7.336  -8.372          0.005
-ATOM     26  CA  CYS    14       9.902  -4.093  -5.852          0.001
-ATOM     27  CB  CYS    14       9.843  -4.280  -4.638          0.015
-ATOM     28  CA  ALA    15      11.027  -0.505  -6.433          0.004
-ATOM     29  CB  ALA    15      10.910  -0.305  -7.127          0.030
-ATOM     30  CA  ALA    16      10.724   2.519  -4.151          0.001
-ATOM     31  CB  ALA    16      11.181   2.468  -3.576          0.035
-ATOM     32  CA  ALA    17      10.186   6.080  -5.337          0.002
-ATOM     33  CB  ALA    17      10.416   6.293  -5.986          0.011
-ATOM     34  CA  GLY    18       6.680   7.367  -4.618          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    4.72                                       ENERGY     9.05061E+00
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.051  -0.290  -0.130          0.002
-ATOM      2  CA  ALA     2       3.784   0.157   0.335          0.006
-ATOM      3  CB  ALA     2       4.039   0.613   0.771          0.034
-ATOM      4  CA  ALA     3       6.672  -2.245  -0.186          0.002
-ATOM      5  CB  ALA     3       6.790  -2.725  -0.682          0.010
-ATOM      6  CA  ALA     4      10.403  -1.573   0.447          0.017
-ATOM      7  CB  ALA     4      10.606  -1.022   0.950          0.043
-ATOM      8  CA  CYS     5      13.018  -4.044  -0.704          0.056
-ATOM      9  CB  CYS     5      12.366  -4.464  -1.630          0.034
-ATOM     10  CA  ALA     6      16.319  -5.440  -1.784          0.005
-ATOM     11  CB  ALA     6      17.061  -5.105  -1.892          0.278
-ATOM     12  CA  ALA     7      14.808  -7.935   0.532          0.136
-ATOM     13  CB  ALA     7      14.738  -7.324   1.015          0.155
-ATOM     14  CA  ALA     8      14.421 -10.347  -2.612          0.043
-ATOM     15  CB  ALA     8      14.847 -10.407  -3.194          0.012
-ATOM     16  CA  ALA     9      13.875 -13.895  -2.254          0.016
-ATOM     17  CB  ALA     9      13.978 -14.643  -1.992          0.020
-ATOM     18  CA  ALA    10      10.145 -13.333  -2.528          0.005
-ATOM     19  CB  ALA    10       9.806 -12.718  -2.198          0.022
-ATOM     20  CA  ALA    11       8.342 -14.178  -5.742          0.005
-ATOM     21  CB  ALA    11       7.835 -14.658  -5.919          0.052
-ATOM     22  CA  ALA    12       7.950 -10.494  -6.593          0.009
-ATOM     23  CB  ALA    12       7.437 -10.095  -6.239          0.038
-ATOM     24  CA  ALA    13       9.923  -7.435  -7.667          0.001
-ATOM     25  CB  ALA    13      10.141  -7.318  -8.361          0.003
-ATOM     26  CA  CYS    14       9.941  -4.096  -5.845          0.000
-ATOM     27  CB  CYS    14       9.918  -4.269  -4.624          0.015
-ATOM     28  CA  ALA    15      10.985  -0.489  -6.413          0.002
-ATOM     29  CB  ALA    15      10.869  -0.388  -7.143          0.015
-ATOM     30  CA  ALA    16      10.725   2.528  -4.133          0.001
-ATOM     31  CB  ALA    16      11.147   2.355  -3.547          0.040
-ATOM     32  CA  ALA    17      10.170   6.093  -5.345          0.001
-ATOM     33  CB  ALA    17      10.464   6.267  -6.023          0.006
-ATOM     34  CA  GLY    18       6.662   7.378  -4.577          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    7.10                                       ENERGY     7.30870E+00
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.593  -0.101          0.006
-ATOM      2  CA  ALA     2       3.880   0.307   0.359          0.005
-ATOM      3  CB  ALA     2       3.913   0.757   0.962          0.001
-ATOM      4  CA  ALA     3       6.640  -2.322  -0.127          0.035
-ATOM      5  CB  ALA     3       7.136  -2.606  -0.638          0.012
-ATOM      6  CA  ALA     4      10.297  -1.215  -0.020          0.043
-ATOM      7  CB  ALA     4      10.547  -0.872   0.593          0.019
-ATOM      8  CA  CYS     5      12.690  -4.048  -0.858          0.030
-ATOM      9  CB  CYS     5      12.377  -4.677  -1.939          0.011
-ATOM     10  CA  ALA     6      15.977  -5.594  -1.835          0.015
-ATOM     11  CB  ALA     6      16.713  -5.819  -2.001          0.048
-ATOM     12  CA  ALA     7      15.343  -8.138   0.971          0.037
-ATOM     13  CB  ALA     7      14.784  -7.781   0.777          0.626
-ATOM     14  CA  ALA     8      14.248 -10.085  -2.382          0.015
-ATOM     15  CB  ALA     8      14.540 -10.080  -3.002          0.046
-ATOM     16  CA  ALA     9      13.781 -13.732  -2.240          0.018
-ATOM     17  CB  ALA     9      14.164 -14.291  -1.775          0.058
-ATOM     18  CA  ALA    10       9.987 -13.520  -2.455          0.008
-ATOM     19  CB  ALA    10      10.057 -12.766  -2.415          0.006
-ATOM     20  CA  ALA    11       8.618 -13.956  -5.985          0.008
-ATOM     21  CB  ALA    11       8.304 -14.602  -6.179          0.023
-ATOM     22  CA  ALA    12       7.777 -10.280  -6.414          0.006
-ATOM     23  CB  ALA    12       7.427  -9.793  -5.970          0.026
-ATOM     24  CA  ALA    13       9.983  -7.421  -7.604          0.004
-ATOM     25  CB  ALA    13      10.101  -7.392  -8.324          0.006
-ATOM     26  CA  CYS    14       9.896  -4.104  -5.701          0.001
-ATOM     27  CB  CYS    14      10.159  -4.150  -4.500          0.013
-ATOM     28  CA  ALA    15      10.925  -0.550  -6.467          0.004
-ATOM     29  CB  ALA    15      10.753  -0.425  -7.188          0.004
-ATOM     30  CA  ALA    16      10.601   2.418  -4.077          0.007
-ATOM     31  CB  ALA    16      10.953   2.144  -3.496          0.006
-ATOM     32  CA  ALA    17      10.197   5.990  -5.346          0.003
-ATOM     33  CB  ALA    17      10.497   6.164  -6.010          0.000
-ATOM     34  CA  GLY    18       6.788   7.413  -4.506          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    7.25                                       ENERGY     1.59228E+01
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.598  -0.100          0.001
-ATOM      2  CA  ALA     2       3.889   0.302   0.361          0.000
-ATOM      3  CB  ALA     2       3.914   0.756   0.964          0.000
-ATOM      4  CA  ALA     3       6.637  -2.311  -0.127          0.001
-ATOM      5  CB  ALA     3       7.142  -2.603  -0.634          0.001
-ATOM      6  CA  ALA     4      10.290  -1.204  -0.037          0.002
-ATOM      7  CB  ALA     4      10.542  -0.863   0.592          0.000
-ATOM      8  CA  CYS     5      12.684  -4.057  -0.871          0.003
-ATOM      9  CB  CYS     5      12.373  -4.681  -1.944          0.001
-ATOM     10  CA  ALA     6      15.969  -5.606  -1.843          0.057
-ATOM     11  CB  ALA     6      16.706  -5.830  -1.993          0.001
-ATOM     12  CA  ALA     7      15.353  -8.122   1.052          0.134
-ATOM     13  CB  ALA     7      14.779  -7.837   0.640          0.929
-ATOM     14  CA  ALA     8      14.258 -10.076  -2.360          0.014
-ATOM     15  CB  ALA     8      14.536 -10.065  -2.993          0.013
-ATOM     16  CA  ALA     9      13.776 -13.730  -2.242          0.006
-ATOM     17  CB  ALA     9      14.165 -14.275  -1.769          0.002
-ATOM     18  CA  ALA    10       9.980 -13.521  -2.460          0.001
-ATOM     19  CB  ALA    10      10.060 -12.763  -2.419          0.000
-ATOM     20  CA  ALA    11       8.626 -13.961  -5.989          0.000
-ATOM     21  CB  ALA    11       8.314 -14.602  -6.185          0.001
-ATOM     22  CA  ALA    12       7.779 -10.267  -6.409          0.001
-ATOM     23  CB  ALA    12       7.428  -9.785  -5.961          0.001
-ATOM     24  CA  ALA    13       9.984  -7.425  -7.598          0.000
-ATOM     25  CB  ALA    13      10.099  -7.396  -8.326          0.000
-ATOM     26  CA  CYS    14       9.891  -4.105  -5.698          0.000
-ATOM     27  CB  CYS    14      10.165  -4.147  -4.495          0.000
-ATOM     28  CA  ALA    15      10.927  -0.545  -6.468          0.000
-ATOM     29  CB  ALA    15      10.752  -0.419  -7.189          0.001
-ATOM     30  CA  ALA    16      10.595   2.408  -4.077          0.001
-ATOM     31  CB  ALA    16      10.947   2.142  -3.497          0.000
-ATOM     32  CA  ALA    17      10.201   5.986  -5.344          0.000
-ATOM     33  CB  ALA    17      10.497   6.162  -6.010          0.000
-ATOM     34  CA  GLY    18       6.791   7.415  -4.506          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    7.66                                       ENERGY     7.47757E+02
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.198  -0.595  -0.099          0.000
-ATOM      2  CA  ALA     2       3.881   0.293   0.362          0.000
-ATOM      3  CB  ALA     2       3.912   0.751   0.962          0.000
-ATOM      4  CA  ALA     3       6.640  -2.300  -0.130          0.000
-ATOM      5  CB  ALA     3       7.135  -2.601  -0.631          0.000
-ATOM      6  CA  ALA     4      10.293  -1.205  -0.040          0.000
-ATOM      7  CB  ALA     4      10.540  -0.862   0.589          0.000
-ATOM      8  CA  CYS     5      12.671  -4.053  -0.867          0.005
-ATOM      9  CB  CYS     5      12.368  -4.676  -1.939          0.000
-ATOM     10  CA  ALA     6      15.983  -5.650  -1.928          0.539
-ATOM     11  CB  ALA     6      16.709  -5.838  -2.012          0.002
-ATOM     12  CA  ALA     7      15.302  -8.118   1.734          0.620
-ATOM     13  CB  ALA     7      14.789  -7.875  -0.234          4.922
-ATOM     14  CA  ALA     8      14.294 -10.001  -2.377          0.002
-ATOM     15  CB  ALA     8      14.553 -10.040  -3.015          0.007
-ATOM     16  CA  ALA     9      13.772 -13.779  -2.228          0.000
-ATOM     17  CB  ALA     9      14.156 -14.272  -1.774          0.000
-ATOM     18  CA  ALA    10       9.982 -13.504  -2.467          0.000
-ATOM     19  CB  ALA    10      10.059 -12.762  -2.421          0.000
-ATOM     20  CA  ALA    11       8.628 -13.964  -5.988          0.000
-ATOM     21  CB  ALA    11       8.315 -14.603  -6.187          0.000
-ATOM     22  CA  ALA    12       7.779 -10.270  -6.406          0.000
-ATOM     23  CB  ALA    12       7.429  -9.786  -5.958          0.000
-ATOM     24  CA  ALA    13       9.987  -7.417  -7.594          0.000
-ATOM     25  CB  ALA    13      10.099  -7.395  -8.326          0.000
-ATOM     26  CA  CYS    14       9.887  -4.113  -5.701          0.000
-ATOM     27  CB  CYS    14      10.167  -4.148  -4.495          0.000
-ATOM     28  CA  ALA    15      10.928  -0.538  -6.468          0.000
-ATOM     29  CB  ALA    15      10.752  -0.416  -7.186          0.000
-ATOM     30  CA  ALA    16      10.591   2.407  -4.083          0.000
-ATOM     31  CB  ALA    16      10.947   2.142  -3.495          0.000
-ATOM     32  CA  ALA    17      10.207   5.980  -5.342          0.000
-ATOM     33  CB  ALA    17      10.497   6.160  -6.007          0.000
-ATOM     34  CA  GLY    18       6.789   7.418  -4.506          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    8.50                                       ENERGY     5.37436E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.207  -0.590  -0.098          0.000
-ATOM      2  CA  ALA     2       3.878   0.282   0.367          0.000
-ATOM      3  CB  ALA     2       3.912   0.743   0.956          0.000
-ATOM      4  CA  ALA     3       6.644  -2.283  -0.140          0.000
-ATOM      5  CB  ALA     3       7.118  -2.602  -0.629          0.000
-ATOM      6  CA  ALA     4      10.302  -1.209  -0.021          0.000
-ATOM      7  CB  ALA     4      10.538  -0.861   0.592          0.000
-ATOM      8  CA  CYS     5      12.668  -4.061  -0.946          0.006
-ATOM      9  CB  CYS     5      12.362  -4.673  -1.954          0.000
-ATOM     10  CA  ALA     6      16.083  -5.712  -1.537          0.125
-ATOM     11  CB  ALA     6      16.897  -5.793  -1.970          0.006
-ATOM     12  CA  ALA     7      14.989  -7.041   2.392          0.241
-ATOM     13  CB  ALA     7      14.844  -8.069  -2.415          2.669
-ATOM     14  CA  ALA     8      14.392 -10.418  -1.805          0.027
-ATOM     15  CB  ALA     8      14.538 -10.724  -3.055          0.321
-ATOM     16  CA  ALA     9      13.751 -13.855  -2.338          0.009
-ATOM     17  CB  ALA     9      14.135 -14.274  -1.819          0.004
-ATOM     18  CA  ALA    10       9.986 -13.475  -2.454          0.000
-ATOM     19  CB  ALA    10      10.056 -12.754  -2.414          0.000
-ATOM     20  CA  ALA    11       8.629 -13.968  -5.987          0.000
-ATOM     21  CB  ALA    11       8.313 -14.603  -6.188          0.000
-ATOM     22  CA  ALA    12       7.781 -10.273  -6.403          0.000
-ATOM     23  CB  ALA    12       7.432  -9.790  -5.957          0.000
-ATOM     24  CA  ALA    13       9.989  -7.415  -7.590          0.000
-ATOM     25  CB  ALA    13      10.099  -7.394  -8.325          0.000
-ATOM     26  CA  CYS    14       9.882  -4.113  -5.702          0.000
-ATOM     27  CB  CYS    14      10.169  -4.147  -4.496          0.000
-ATOM     28  CA  ALA    15      10.929  -0.538  -6.468          0.000
-ATOM     29  CB  ALA    15      10.754  -0.415  -7.181          0.000
-ATOM     30  CA  ALA    16      10.588   2.406  -4.088          0.000
-ATOM     31  CB  ALA    16      10.947   2.142  -3.494          0.000
-ATOM     32  CA  ALA    17      10.210   5.976  -5.341          0.000
-ATOM     33  CB  ALA    17      10.495   6.159  -6.004          0.000
-ATOM     34  CA  GLY    18       6.790   7.418  -4.506          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    9.12                                       ENERGY     9.91529E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.208  -0.590  -0.097          0.000
-ATOM      2  CA  ALA     2       3.878   0.279   0.369          0.000
-ATOM      3  CB  ALA     2       3.913   0.740   0.955          0.000
-ATOM      4  CA  ALA     3       6.648  -2.275  -0.142          0.000
-ATOM      5  CB  ALA     3       7.111  -2.604  -0.629          0.000
-ATOM      6  CA  ALA     4      10.308  -1.218  -0.020          0.000
-ATOM      7  CB  ALA     4      10.537  -0.862   0.594          0.000
-ATOM      8  CA  CYS     5      12.678  -4.066  -0.969          0.015
-ATOM      9  CB  CYS     5      12.360  -4.676  -1.965          0.000
-ATOM     10  CA  ALA     6      16.090  -5.694  -1.340          0.085
-ATOM     11  CB  ALA     6      16.860  -5.744  -1.878          0.023
-ATOM     12  CA  ALA     7      14.932  -7.280   2.698          0.039
-ATOM     13  CB  ALA     7      14.878  -7.967  -4.100          1.516
-ATOM     14  CA  ALA     8      14.470 -10.118  -1.418          0.032
-ATOM     15  CB  ALA     8      14.506 -10.812  -2.661          0.165
-ATOM     16  CA  ALA     9      13.739 -13.970  -2.410          0.000
-ATOM     17  CB  ALA     9      14.131 -14.304  -1.841          0.000
-ATOM     18  CA  ALA    10       9.978 -13.456  -2.453          0.000
-ATOM     19  CB  ALA    10      10.053 -12.738  -2.412          0.000
-ATOM     20  CA  ALA    11       8.633 -13.967  -5.981          0.000
-ATOM     21  CB  ALA    11       8.313 -14.602  -6.189          0.000
-ATOM     22  CA  ALA    12       7.782 -10.276  -6.405          0.000
-ATOM     23  CB  ALA    12       7.434  -9.792  -5.957          0.000
-ATOM     24  CA  ALA    13       9.990  -7.414  -7.589          0.000
-ATOM     25  CB  ALA    13      10.098  -7.394  -8.324          0.000
-ATOM     26  CA  CYS    14       9.879  -4.112  -5.702          0.000
-ATOM     27  CB  CYS    14      10.170  -4.146  -4.497          0.000
-ATOM     28  CA  ALA    15      10.929  -0.539  -6.468          0.000
-ATOM     29  CB  ALA    15      10.755  -0.413  -7.179          0.000
-ATOM     30  CA  ALA    16      10.587   2.405  -4.088          0.000
-ATOM     31  CB  ALA    16      10.946   2.143  -3.492          0.000
-ATOM     32  CA  ALA    17      10.210   5.976  -5.340          0.000
-ATOM     33  CB  ALA    17      10.495   6.159  -6.002          0.000
-ATOM     34  CA  GLY    18       6.792   7.419  -4.506          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    9.18                                       ENERGY     1.00661E+04
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.208  -0.590  -0.097          0.000
-ATOM      2  CA  ALA     2       3.877   0.279   0.370          0.000
-ATOM      3  CB  ALA     2       3.913   0.740   0.955          0.000
-ATOM      4  CA  ALA     3       6.648  -2.274  -0.142          0.000
-ATOM      5  CB  ALA     3       7.111  -2.604  -0.629          0.000
-ATOM      6  CA  ALA     4      10.308  -1.219  -0.020          0.000
-ATOM      7  CB  ALA     4      10.537  -0.862   0.594          0.000
-ATOM      8  CA  CYS     5      12.678  -4.065  -0.971          0.019
-ATOM      9  CB  CYS     5      12.360  -4.676  -1.966          0.000
-ATOM     10  CA  ALA     6      16.088  -5.697  -1.324          0.075
-ATOM     11  CB  ALA     6      16.856  -5.743  -1.870          0.026
-ATOM     12  CA  ALA     7      14.933  -7.308   2.694          0.030
-ATOM     13  CB  ALA     7      14.880  -7.954  -4.167          1.303
-ATOM     14  CA  ALA     8      14.472 -10.108  -1.402          0.033
-ATOM     15  CB  ALA     8      14.506 -10.801  -2.639          0.177
-ATOM     16  CA  ALA     9      13.740 -13.966  -2.411          0.001
-ATOM     17  CB  ALA     9      14.131 -14.303  -1.842          0.000
-ATOM     18  CA  ALA    10       9.977 -13.457  -2.454          0.000
-ATOM     19  CB  ALA    10      10.053 -12.738  -2.412          0.000
-ATOM     20  CA  ALA    11       8.633 -13.966  -5.980          0.000
-ATOM     21  CB  ALA    11       8.313 -14.602  -6.188          0.000
-ATOM     22  CA  ALA    12       7.783 -10.276  -6.405          0.000
-ATOM     23  CB  ALA    12       7.434  -9.793  -5.957          0.000
-ATOM     24  CA  ALA    13       9.990  -7.414  -7.589          0.000
-ATOM     25  CB  ALA    13      10.098  -7.394  -8.324          0.000
-ATOM     26  CA  CYS    14       9.879  -4.112  -5.702          0.000
-ATOM     27  CB  CYS    14      10.170  -4.146  -4.497          0.000
-ATOM     28  CA  ALA    15      10.929  -0.539  -6.468          0.000
-ATOM     29  CB  ALA    15      10.755  -0.413  -7.179          0.000
-ATOM     30  CA  ALA    16      10.587   2.405  -4.088          0.000
-ATOM     31  CB  ALA    16      10.946   2.143  -3.492          0.000
-ATOM     32  CA  ALA    17      10.210   5.976  -5.340          0.000
-ATOM     33  CB  ALA    17      10.495   6.159  -6.002          0.000
-ATOM     34  CA  GLY    18       6.792   7.419  -4.506          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    9.27                                       ENERGY     1.02138E+04
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.208  -0.590  -0.097          0.000
-ATOM      2  CA  ALA     2       3.877   0.279   0.370          0.000
-ATOM      3  CB  ALA     2       3.913   0.740   0.955          0.000
-ATOM      4  CA  ALA     3       6.648  -2.273  -0.143          0.000
-ATOM      5  CB  ALA     3       7.110  -2.604  -0.629          0.000
-ATOM      6  CA  ALA     4      10.309  -1.220  -0.019          0.001
-ATOM      7  CB  ALA     4      10.538  -0.862   0.594          0.000
-ATOM      8  CA  CYS     5      12.678  -4.063  -0.975          0.039
-ATOM      9  CB  CYS     5      12.360  -4.675  -1.967          0.001
-ATOM     10  CA  ALA     6      16.085  -5.703  -1.288          0.098
-ATOM     11  CB  ALA     6      16.847  -5.741  -1.855          0.050
-ATOM     12  CA  ALA     7      14.935  -7.356   2.665          0.038
-ATOM     13  CB  ALA     7      14.882  -7.932  -4.271          1.142
-ATOM     14  CA  ALA     8      14.475 -10.092  -1.370          0.055
-ATOM     15  CB  ALA     8      14.506 -10.781  -2.599          0.291
-ATOM     16  CA  ALA     9      13.742 -13.958  -2.413          0.002
-ATOM     17  CB  ALA     9      14.131 -14.301  -1.842          0.001
-ATOM     18  CA  ALA    10       9.976 -13.459  -2.454          0.000
-ATOM     19  CB  ALA    10      10.052 -12.737  -2.412          0.000
-ATOM     20  CA  ALA    11       8.633 -13.966  -5.980          0.000
-ATOM     21  CB  ALA    11       8.313 -14.602  -6.188          0.000
-ATOM     22  CA  ALA    12       7.783 -10.276  -6.405          0.000
-ATOM     23  CB  ALA    12       7.434  -9.793  -5.957          0.000
-ATOM     24  CA  ALA    13       9.990  -7.414  -7.589          0.000
-ATOM     25  CB  ALA    13      10.098  -7.394  -8.323          0.000
-ATOM     26  CA  CYS    14       9.879  -4.112  -5.702          0.000
-ATOM     27  CB  CYS    14      10.170  -4.146  -4.497          0.000
-ATOM     28  CA  ALA    15      10.929  -0.539  -6.468          0.000
-ATOM     29  CB  ALA    15      10.755  -0.413  -7.179          0.000
-ATOM     30  CA  ALA    16      10.587   2.405  -4.088          0.000
-ATOM     31  CB  ALA    16      10.946   2.144  -3.492          0.000
-ATOM     32  CA  ALA    17      10.210   5.976  -5.339          0.000
-ATOM     33  CB  ALA    17      10.495   6.159  -6.002          0.000
-ATOM     34  CA  GLY    18       6.792   7.419  -4.506          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time    9.64                                       ENERGY     9.01519E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.208  -0.589  -0.097          0.000
-ATOM      2  CA  ALA     2       3.877   0.278   0.371          0.000
-ATOM      3  CB  ALA     2       3.915   0.740   0.953          0.000
-ATOM      4  CA  ALA     3       6.652  -2.265  -0.145          0.000
-ATOM      5  CB  ALA     3       7.104  -2.606  -0.631          0.000
-ATOM      6  CA  ALA     4      10.316  -1.231  -0.022          0.000
-ATOM      7  CB  ALA     4      10.538  -0.863   0.592          0.000
-ATOM      8  CA  CYS     5      12.683  -4.035  -0.979          0.012
-ATOM      9  CB  CYS     5      12.358  -4.669  -1.975          0.000
-ATOM     10  CA  ALA     6      16.034  -5.790  -1.110          0.135
-ATOM     11  CB  ALA     6      16.809  -5.719  -1.664          0.121
-ATOM     12  CA  ALA     7      14.956  -7.632   2.145          0.174
-ATOM     13  CB  ALA     7      14.908  -7.789  -4.561          0.390
-ATOM     14  CA  ALA     8      14.482 -10.076  -1.167          0.020
-ATOM     15  CB  ALA     8      14.506 -10.624  -2.270          0.566
-ATOM     16  CA  ALA     9      13.768 -13.845  -2.398          0.019
-ATOM     17  CB  ALA     9      14.133 -14.273  -1.845          0.007
-ATOM     18  CA  ALA    10       9.973 -13.481  -2.460          0.001
-ATOM     19  CB  ALA    10      10.050 -12.737  -2.410          0.000
-ATOM     20  CA  ALA    11       8.633 -13.963  -5.975          0.000
-ATOM     21  CB  ALA    11       8.312 -14.599  -6.186          0.000
-ATOM     22  CA  ALA    12       7.784 -10.278  -6.403          0.000
-ATOM     23  CB  ALA    12       7.435  -9.796  -5.956          0.000
-ATOM     24  CA  ALA    13       9.990  -7.416  -7.586          0.000
-ATOM     25  CB  ALA    13      10.097  -7.395  -8.321          0.000
-ATOM     26  CA  CYS    14       9.876  -4.113  -5.702          0.000
-ATOM     27  CB  CYS    14      10.171  -4.146  -4.498          0.000
-ATOM     28  CA  ALA    15      10.929  -0.540  -6.469          0.000
-ATOM     29  CB  ALA    15      10.755  -0.413  -7.179          0.000
-ATOM     30  CA  ALA    16      10.586   2.404  -4.090          0.000
-ATOM     31  CB  ALA    16      10.945   2.144  -3.494          0.000
-ATOM     32  CA  ALA    17      10.211   5.974  -5.341          0.000
-ATOM     33  CB  ALA    17      10.494   6.158  -6.003          0.000
-ATOM     34  CA  GLY    18       6.793   7.418  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.09                                       ENERGY     7.60082E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.206  -0.590  -0.096          0.000
-ATOM      2  CA  ALA     2       3.875   0.277   0.372          0.000
-ATOM      3  CB  ALA     2       3.917   0.738   0.952          0.000
-ATOM      4  CA  ALA     3       6.661  -2.256  -0.149          0.001
-ATOM      5  CB  ALA     3       7.091  -2.613  -0.635          0.002
-ATOM      6  CA  ALA     4      10.318  -1.218  -0.027          0.003
-ATOM      7  CB  ALA     4      10.534  -0.857   0.588          0.000
-ATOM      8  CA  CYS     5      12.685  -4.054  -0.956          0.010
-ATOM      9  CB  CYS     5      12.353  -4.671  -1.979          0.000
-ATOM     10  CA  ALA     6      16.091  -5.785  -1.099          0.191
-ATOM     11  CB  ALA     6      16.714  -5.688  -1.488          0.072
-ATOM     12  CA  ALA     7      14.918  -7.851   1.700          0.152
-ATOM     13  CB  ALA     7      14.927  -7.729  -4.553          0.300
-ATOM     14  CA  ALA     8      14.477 -10.192  -1.185          0.004
-ATOM     15  CB  ALA     8      14.511 -10.430  -1.883          0.288
-ATOM     16  CA  ALA     9      13.794 -13.711  -2.308          0.004
-ATOM     17  CB  ALA     9      14.127 -14.227  -1.846          0.002
-ATOM     18  CA  ALA    10       9.992 -13.484  -2.472          0.001
-ATOM     19  CB  ALA    10      10.049 -12.744  -2.409          0.000
-ATOM     20  CA  ALA    11       8.625 -13.969  -5.982          0.000
-ATOM     21  CB  ALA    11       8.309 -14.598  -6.188          0.000
-ATOM     22  CA  ALA    12       7.789 -10.277  -6.399          0.000
-ATOM     23  CB  ALA    12       7.439  -9.799  -5.953          0.000
-ATOM     24  CA  ALA    13       9.993  -7.417  -7.584          0.000
-ATOM     25  CB  ALA    13      10.097  -7.396  -8.319          0.000
-ATOM     26  CA  CYS    14       9.870  -4.112  -5.702          0.000
-ATOM     27  CB  CYS    14      10.172  -4.144  -4.499          0.000
-ATOM     28  CA  ALA    15      10.930  -0.542  -6.469          0.000
-ATOM     29  CB  ALA    15      10.757  -0.411  -7.178          0.000
-ATOM     30  CA  ALA    16      10.585   2.402  -4.092          0.000
-ATOM     31  CB  ALA    16      10.943   2.146  -3.493          0.000
-ATOM     32  CA  ALA    17      10.213   5.973  -5.340          0.000
-ATOM     33  CB  ALA    17      10.492   6.158  -6.002          0.000
-ATOM     34  CA  GLY    18       6.795   7.419  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.19                                       ENERGY     7.26615E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.206  -0.590  -0.096          0.000
-ATOM      2  CA  ALA     2       3.875   0.277   0.372          0.000
-ATOM      3  CB  ALA     2       3.917   0.738   0.952          0.000
-ATOM      4  CA  ALA     3       6.662  -2.253  -0.149          0.001
-ATOM      5  CB  ALA     3       7.087  -2.615  -0.637          0.002
-ATOM      6  CA  ALA     4      10.320  -1.215  -0.030          0.002
-ATOM      7  CB  ALA     4      10.533  -0.856   0.587          0.000
-ATOM      8  CA  CYS     5      12.690  -4.064  -0.948          0.008
-ATOM      9  CB  CYS     5      12.353  -4.673  -1.978          0.000
-ATOM     10  CA  ALA     6      16.095  -5.764  -1.125          0.175
-ATOM     11  CB  ALA     6      16.709  -5.679  -1.469          0.026
-ATOM     12  CA  ALA     7      14.913  -7.865   1.641          0.117
-ATOM     13  CB  ALA     7      14.926  -7.744  -4.488          0.651
-ATOM     14  CA  ALA     8      14.474 -10.201  -1.193          0.007
-ATOM     15  CB  ALA     8      14.513 -10.407  -1.845          0.093
-ATOM     16  CA  ALA     9      13.794 -13.718  -2.298          0.001
-ATOM     17  CB  ALA     9      14.125 -14.226  -1.848          0.001
-ATOM     18  CA  ALA    10       9.999 -13.477  -2.473          0.001
-ATOM     19  CB  ALA    10      10.049 -12.744  -2.408          0.000
-ATOM     20  CA  ALA    11       8.623 -13.971  -5.984          0.000
-ATOM     21  CB  ALA    11       8.307 -14.598  -6.189          0.000
-ATOM     22  CA  ALA    12       7.791 -10.277  -6.398          0.000
-ATOM     23  CB  ALA    12       7.440  -9.800  -5.952          0.000
-ATOM     24  CA  ALA    13       9.994  -7.416  -7.583          0.000
-ATOM     25  CB  ALA    13      10.097  -7.396  -8.318          0.000
-ATOM     26  CA  CYS    14       9.868  -4.112  -5.702          0.000
-ATOM     27  CB  CYS    14      10.172  -4.143  -4.500          0.000
-ATOM     28  CA  ALA    15      10.931  -0.543  -6.469          0.000
-ATOM     29  CB  ALA    15      10.757  -0.411  -7.178          0.000
-ATOM     30  CA  ALA    16      10.584   2.401  -4.092          0.000
-ATOM     31  CB  ALA    16      10.943   2.147  -3.493          0.000
-ATOM     32  CA  ALA    17      10.213   5.972  -5.340          0.000
-ATOM     33  CB  ALA    17      10.492   6.158  -6.002          0.000
-ATOM     34  CA  GLY    18       6.795   7.419  -4.511          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.28                                       ENERGY     6.98418E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.205  -0.591  -0.096          0.000
-ATOM      2  CA  ALA     2       3.874   0.276   0.372          0.000
-ATOM      3  CB  ALA     2       3.918   0.737   0.952          0.000
-ATOM      4  CA  ALA     3       6.664  -2.250  -0.150          0.003
-ATOM      5  CB  ALA     3       7.083  -2.618  -0.638          0.006
-ATOM      6  CA  ALA     4      10.324  -1.214  -0.033          0.009
-ATOM      7  CB  ALA     4      10.533  -0.855   0.586          0.000
-ATOM      8  CA  CYS     5      12.693  -4.073  -0.938          0.054
-ATOM      9  CB  CYS     5      12.352  -4.674  -1.977          0.001
-ATOM     10  CA  ALA     6      16.098  -5.740  -1.158          0.135
-ATOM     11  CB  ALA     6      16.708  -5.667  -1.458          0.043
-ATOM     12  CA  ALA     7      14.907  -7.870   1.605          0.040
-ATOM     13  CB  ALA     7      14.923  -7.764  -4.417          0.649
-ATOM     14  CA  ALA     8      14.469 -10.208  -1.205          0.041
-ATOM     15  CB  ALA     8      14.516 -10.393  -1.822          0.078
-ATOM     16  CA  ALA     9      13.792 -13.734  -2.290          0.006
-ATOM     17  CB  ALA     9      14.123 -14.228  -1.850          0.003
-ATOM     18  CA  ALA    10      10.004 -13.468  -2.475          0.005
-ATOM     19  CB  ALA    10      10.049 -12.742  -2.408          0.001
-ATOM     20  CA  ALA    11       8.622 -13.972  -5.984          0.000
-ATOM     21  CB  ALA    11       8.305 -14.599  -6.191          0.002
-ATOM     22  CA  ALA    12       7.792 -10.278  -6.398          0.000
-ATOM     23  CB  ALA    12       7.440  -9.800  -5.951          0.000
-ATOM     24  CA  ALA    13       9.995  -7.416  -7.582          0.000
-ATOM     25  CB  ALA    13      10.097  -7.396  -8.317          0.000
-ATOM     26  CA  CYS    14       9.866  -4.112  -5.702          0.000
-ATOM     27  CB  CYS    14      10.172  -4.142  -4.500          0.000
-ATOM     28  CA  ALA    15      10.931  -0.543  -6.469          0.000
-ATOM     29  CB  ALA    15      10.758  -0.410  -7.178          0.000
-ATOM     30  CA  ALA    16      10.584   2.401  -4.092          0.000
-ATOM     31  CB  ALA    16      10.942   2.148  -3.493          0.000
-ATOM     32  CA  ALA    17      10.214   5.972  -5.339          0.000
-ATOM     33  CB  ALA    17      10.492   6.158  -6.002          0.000
-ATOM     34  CA  GLY    18       6.796   7.419  -4.511          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.35                                       ENERGY     6.79410E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.204  -0.591  -0.095          0.000
-ATOM      2  CA  ALA     2       3.874   0.275   0.372          0.000
-ATOM      3  CB  ALA     2       3.919   0.737   0.952          0.000
-ATOM      4  CA  ALA     3       6.665  -2.246  -0.150          0.003
-ATOM      5  CB  ALA     3       7.079  -2.620  -0.640          0.006
-ATOM      6  CA  ALA     4      10.328  -1.215  -0.036          0.007
-ATOM      7  CB  ALA     4      10.533  -0.854   0.585          0.000
-ATOM      8  CA  CYS     5      12.694  -4.080  -0.928          0.048
-ATOM      9  CB  CYS     5      12.352  -4.674  -1.975          0.001
-ATOM     10  CA  ALA     6      16.100  -5.717  -1.194          0.158
-ATOM     11  CB  ALA     6      16.713  -5.654  -1.453          0.049
-ATOM     12  CA  ALA     7      14.904  -7.866   1.593          0.041
-ATOM     13  CB  ALA     7      14.920  -7.784  -4.357          0.952
-ATOM     14  CA  ALA     8      14.463 -10.215  -1.221          0.045
-ATOM     15  CB  ALA     8      14.519 -10.385  -1.811          0.019
-ATOM     16  CA  ALA     9      13.791 -13.752  -2.284          0.007
-ATOM     17  CB  ALA     9      14.121 -14.231  -1.852          0.005
-ATOM     18  CA  ALA    10      10.009 -13.460  -2.479          0.005
-ATOM     19  CB  ALA    10      10.049 -12.739  -2.408          0.002
-ATOM     20  CA  ALA    11       8.622 -13.972  -5.985          0.000
-ATOM     21  CB  ALA    11       8.304 -14.600  -6.193          0.001
-ATOM     22  CA  ALA    12       7.793 -10.279  -6.398          0.000
-ATOM     23  CB  ALA    12       7.441  -9.801  -5.951          0.000
-ATOM     24  CA  ALA    13       9.996  -7.415  -7.582          0.000
-ATOM     25  CB  ALA    13      10.097  -7.395  -8.317          0.000
-ATOM     26  CA  CYS    14       9.864  -4.112  -5.702          0.000
-ATOM     27  CB  CYS    14      10.173  -4.141  -4.500          0.000
-ATOM     28  CA  ALA    15      10.932  -0.544  -6.469          0.000
-ATOM     29  CB  ALA    15      10.758  -0.409  -7.177          0.000
-ATOM     30  CA  ALA    16      10.583   2.400  -4.092          0.000
-ATOM     31  CB  ALA    16      10.942   2.148  -3.492          0.000
-ATOM     32  CA  ALA    17      10.214   5.972  -5.338          0.000
-ATOM     33  CB  ALA    17      10.492   6.158  -6.000          0.000
-ATOM     34  CA  GLY    18       6.797   7.419  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.43                                       ENERGY     6.61067E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.204  -0.592  -0.095          0.000
-ATOM      2  CA  ALA     2       3.873   0.274   0.373          0.001
-ATOM      3  CB  ALA     2       3.919   0.736   0.952          0.000
-ATOM      4  CA  ALA     3       6.667  -2.242  -0.150          0.004
-ATOM      5  CB  ALA     3       7.073  -2.622  -0.641          0.006
-ATOM      6  CA  ALA     4      10.334  -1.217  -0.040          0.005
-ATOM      7  CB  ALA     4      10.533  -0.854   0.583          0.000
-ATOM      8  CA  CYS     5      12.693  -4.087  -0.918          0.037
-ATOM      9  CB  CYS     5      12.350  -4.674  -1.973          0.001
-ATOM     10  CA  ALA     6      16.101  -5.694  -1.232          0.130
-ATOM     11  CB  ALA     6      16.722  -5.639  -1.451          0.056
-ATOM     12  CA  ALA     7      14.901  -7.857   1.588          0.026
-ATOM     13  CB  ALA     7      14.915  -7.806  -4.291          0.851
-ATOM     14  CA  ALA     8      14.453 -10.222  -1.236          0.041
-ATOM     15  CB  ALA     8      14.522 -10.385  -1.806          0.003
-ATOM     16  CA  ALA     9      13.791 -13.774  -2.280          0.008
-ATOM     17  CB  ALA     9      14.121 -14.237  -1.853          0.007
-ATOM     18  CA  ALA    10      10.013 -13.451  -2.482          0.004
-ATOM     19  CB  ALA    10      10.048 -12.735  -2.407          0.004
-ATOM     20  CA  ALA    11       8.622 -13.973  -5.984          0.000
-ATOM     21  CB  ALA    11       8.302 -14.601  -6.195          0.001
-ATOM     22  CA  ALA    12       7.794 -10.280  -6.398          0.000
-ATOM     23  CB  ALA    12       7.442  -9.802  -5.950          0.000
-ATOM     24  CA  ALA    13       9.998  -7.415  -7.581          0.000
-ATOM     25  CB  ALA    13      10.097  -7.395  -8.316          0.000
-ATOM     26  CA  CYS    14       9.862  -4.111  -5.702          0.000
-ATOM     27  CB  CYS    14      10.173  -4.140  -4.501          0.000
-ATOM     28  CA  ALA    15      10.932  -0.544  -6.468          0.000
-ATOM     29  CB  ALA    15      10.759  -0.408  -7.176          0.000
-ATOM     30  CA  ALA    16      10.583   2.399  -4.091          0.000
-ATOM     31  CB  ALA    16      10.941   2.149  -3.491          0.000
-ATOM     32  CA  ALA    17      10.215   5.972  -5.336          0.000
-ATOM     33  CB  ALA    17      10.491   6.159  -5.999          0.000
-ATOM     34  CA  GLY    18       6.797   7.419  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.51                                       ENERGY     6.48908E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.203  -0.592  -0.094          0.001
-ATOM      2  CA  ALA     2       3.871   0.273   0.373          0.001
-ATOM      3  CB  ALA     2       3.920   0.735   0.952          0.000
-ATOM      4  CA  ALA     3       6.671  -2.237  -0.151          0.008
-ATOM      5  CB  ALA     3       7.066  -2.626  -0.644          0.014
-ATOM      6  CA  ALA     4      10.342  -1.221  -0.044          0.010
-ATOM      7  CB  ALA     4      10.533  -0.854   0.581          0.001
-ATOM      8  CA  CYS     5      12.690  -4.093  -0.905          0.093
-ATOM      9  CB  CYS     5      12.348  -4.673  -1.970          0.004
-ATOM     10  CA  ALA     6      16.100  -5.668  -1.281          0.102
-ATOM     11  CB  ALA     6      16.738  -5.619  -1.452          0.150
-ATOM     12  CA  ALA     7      14.901  -7.838   1.603          0.041
-ATOM     13  CB  ALA     7      14.910  -7.828  -4.229          0.356
-ATOM     14  CA  ALA     8      14.438 -10.230  -1.253          0.093
-ATOM     15  CB  ALA     8      14.526 -10.393  -1.811          0.056
-ATOM     16  CA  ALA     9      13.790 -13.804  -2.277          0.020
-ATOM     17  CB  ALA     9      14.122 -14.247  -1.853          0.027
-ATOM     18  CA  ALA    10      10.017 -13.441  -2.487          0.007
-ATOM     19  CB  ALA    10      10.046 -12.728  -2.406          0.012
-ATOM     20  CA  ALA    11       8.622 -13.973  -5.983          0.000
-ATOM     21  CB  ALA    11       8.300 -14.603  -6.197          0.003
-ATOM     22  CA  ALA    12       7.796 -10.281  -6.399          0.001
-ATOM     23  CB  ALA    12       7.443  -9.803  -5.949          0.001
-ATOM     24  CA  ALA    13       9.999  -7.415  -7.580          0.000
-ATOM     25  CB  ALA    13      10.097  -7.395  -8.316          0.000
-ATOM     26  CA  CYS    14       9.859  -4.111  -5.702          0.000
-ATOM     27  CB  CYS    14      10.173  -4.139  -4.501          0.001
-ATOM     28  CA  ALA    15      10.933  -0.545  -6.468          0.000
-ATOM     29  CB  ALA    15      10.760  -0.406  -7.176          0.001
-ATOM     30  CA  ALA    16      10.582   2.398  -4.091          0.001
-ATOM     31  CB  ALA    16      10.940   2.150  -3.490          0.001
-ATOM     32  CA  ALA    17      10.216   5.971  -5.335          0.001
-ATOM     33  CB  ALA    17      10.491   6.159  -5.998          0.001
-ATOM     34  CA  GLY    18       6.798   7.419  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.58                                       ENERGY     6.44226E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.202  -0.593  -0.094          0.001
-ATOM      2  CA  ALA     2       3.869   0.272   0.374          0.001
-ATOM      3  CB  ALA     2       3.921   0.734   0.953          0.000
-ATOM      4  CA  ALA     3       6.676  -2.232  -0.151          0.010
-ATOM      5  CB  ALA     3       7.060  -2.629  -0.646          0.015
-ATOM      6  CA  ALA     4      10.349  -1.225  -0.047          0.008
-ATOM      7  CB  ALA     4      10.533  -0.855   0.579          0.001
-ATOM      8  CA  CYS     5      12.686  -4.098  -0.895          0.076
-ATOM      9  CB  CYS     5      12.346  -4.671  -1.967          0.005
-ATOM     10  CA  ALA     6      16.097  -5.648  -1.324          0.112
-ATOM     11  CB  ALA     6      16.758  -5.602  -1.454          0.192
-ATOM     12  CA  ALA     7      14.903  -7.819   1.626          0.044
-ATOM     13  CB  ALA     7      14.905  -7.844  -4.188          0.387
-ATOM     14  CA  ALA     8      14.423 -10.234  -1.265          0.084
-ATOM     15  CB  ALA     8      14.530 -10.409  -1.820          0.133
-ATOM     16  CA  ALA     9      13.790 -13.831  -2.277          0.024
-ATOM     17  CB  ALA     9      14.125 -14.259  -1.852          0.042
-ATOM     18  CA  ALA    10      10.020 -13.432  -2.492          0.006
-ATOM     19  CB  ALA    10      10.045 -12.721  -2.406          0.017
-ATOM     20  CA  ALA    11       8.623 -13.973  -5.982          0.000
-ATOM     21  CB  ALA    11       8.298 -14.603  -6.199          0.003
-ATOM     22  CA  ALA    12       7.798 -10.281  -6.400          0.001
-ATOM     23  CB  ALA    12       7.445  -9.804  -5.949          0.001
-ATOM     24  CA  ALA    13      10.001  -7.414  -7.579          0.000
-ATOM     25  CB  ALA    13      10.097  -7.394  -8.315          0.000
-ATOM     26  CA  CYS    14       9.857  -4.110  -5.701          0.000
-ATOM     27  CB  CYS    14      10.173  -4.138  -4.502          0.001
-ATOM     28  CA  ALA    15      10.934  -0.546  -6.467          0.000
-ATOM     29  CB  ALA    15      10.761  -0.405  -7.175          0.001
-ATOM     30  CA  ALA    16      10.582   2.397  -4.090          0.001
-ATOM     31  CB  ALA    16      10.940   2.151  -3.488          0.001
-ATOM     32  CA  ALA    17      10.217   5.971  -5.332          0.001
-ATOM     33  CB  ALA    17      10.491   6.160  -5.996          0.001
-ATOM     34  CA  GLY    18       6.799   7.420  -4.508          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.64                                       ENERGY     6.40529E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.201  -0.594  -0.094          0.001
-ATOM      2  CA  ALA     2       3.867   0.271   0.374          0.002
-ATOM      3  CB  ALA     2       3.921   0.733   0.953          0.000
-ATOM      4  CA  ALA     3       6.681  -2.227  -0.152          0.009
-ATOM      5  CB  ALA     3       7.053  -2.632  -0.648          0.016
-ATOM      6  CA  ALA     4      10.356  -1.229  -0.050          0.006
-ATOM      7  CB  ALA     4      10.533  -0.856   0.577          0.001
-ATOM      8  CA  CYS     5      12.680  -4.102  -0.886          0.048
-ATOM      9  CB  CYS     5      12.343  -4.670  -1.964          0.005
-ATOM     10  CA  ALA     6      16.091  -5.632  -1.361          0.119
-ATOM     11  CB  ALA     6      16.781  -5.584  -1.455          0.203
-ATOM     12  CA  ALA     7      14.907  -7.798   1.647          0.038
-ATOM     13  CB  ALA     7      14.901  -7.855  -4.153          0.423
-ATOM     14  CA  ALA     8      14.405 -10.237  -1.269          0.066
-ATOM     15  CB  ALA     8      14.535 -10.431  -1.834          0.203
-ATOM     16  CA  ALA     9      13.790 -13.858  -2.280          0.025
-ATOM     17  CB  ALA     9      14.129 -14.272  -1.850          0.054
-ATOM     18  CA  ALA    10      10.023 -13.424  -2.496          0.005
-ATOM     19  CB  ALA    10      10.043 -12.712  -2.405          0.021
-ATOM     20  CA  ALA    11       8.624 -13.973  -5.982          0.000
-ATOM     21  CB  ALA    11       8.296 -14.604  -6.202          0.002
-ATOM     22  CA  ALA    12       7.800 -10.282  -6.401          0.001
-ATOM     23  CB  ALA    12       7.446  -9.806  -5.949          0.001
-ATOM     24  CA  ALA    13      10.003  -7.414  -7.578          0.000
-ATOM     25  CB  ALA    13      10.098  -7.393  -8.314          0.000
-ATOM     26  CA  CYS    14       9.854  -4.109  -5.701          0.000
-ATOM     27  CB  CYS    14      10.174  -4.136  -4.502          0.001
-ATOM     28  CA  ALA    15      10.935  -0.546  -6.467          0.000
-ATOM     29  CB  ALA    15      10.762  -0.403  -7.173          0.001
-ATOM     30  CA  ALA    16      10.581   2.396  -4.089          0.001
-ATOM     31  CB  ALA    16      10.939   2.152  -3.486          0.001
-ATOM     32  CA  ALA    17      10.218   5.971  -5.330          0.001
-ATOM     33  CB  ALA    17      10.490   6.160  -5.994          0.001
-ATOM     34  CA  GLY    18       6.800   7.420  -4.507          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.71                                       ENERGY     6.40756E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.200  -0.596  -0.093          0.001
-ATOM      2  CA  ALA     2       3.865   0.271   0.375          0.003
-ATOM      3  CB  ALA     2       3.922   0.732   0.953          0.000
-ATOM      4  CA  ALA     3       6.688  -2.221  -0.154          0.011
-ATOM      5  CB  ALA     3       7.045  -2.636  -0.652          0.020
-ATOM      6  CA  ALA     4      10.363  -1.232  -0.052          0.006
-ATOM      7  CB  ALA     4      10.533  -0.856   0.574          0.002
-ATOM      8  CA  CYS     5      12.673  -4.107  -0.877          0.054
-ATOM      9  CB  CYS     5      12.340  -4.667  -1.960          0.007
-ATOM     10  CA  ALA     6      16.083  -5.617  -1.397          0.072
-ATOM     11  CB  ALA     6      16.809  -5.565  -1.456          0.255
-ATOM     12  CA  ALA     7      14.913  -7.772   1.670          0.116
-ATOM     13  CB  ALA     7      14.896  -7.860  -4.131          0.006
-ATOM     14  CA  ALA     8      14.382 -10.238  -1.267          0.069
-ATOM     15  CB  ALA     8      14.542 -10.464  -1.851          0.354
-ATOM     16  CA  ALA     9      13.789 -13.886  -2.286          0.027
-ATOM     17  CB  ALA     9      14.135 -14.289  -1.846          0.084
-ATOM     18  CA  ALA    10      10.026 -13.416  -2.501          0.004
-ATOM     19  CB  ALA    10      10.041 -12.701  -2.404          0.030
-ATOM     20  CA  ALA    11       8.624 -13.973  -5.982          0.000
-ATOM     21  CB  ALA    11       8.294 -14.604  -6.205          0.003
-ATOM     22  CA  ALA    12       7.802 -10.282  -6.403          0.001
-ATOM     23  CB  ALA    12       7.448  -9.807  -5.949          0.001
-ATOM     24  CA  ALA    13      10.005  -7.414  -7.576          0.000
-ATOM     25  CB  ALA    13      10.098  -7.393  -8.314          0.000
-ATOM     26  CA  CYS    14       9.851  -4.108  -5.701          0.000
-ATOM     27  CB  CYS    14      10.174  -4.134  -4.503          0.001
-ATOM     28  CA  ALA    15      10.936  -0.547  -6.466          0.000
-ATOM     29  CB  ALA    15      10.763  -0.401  -7.172          0.002
-ATOM     30  CA  ALA    16      10.580   2.395  -4.088          0.001
-ATOM     31  CB  ALA    16      10.938   2.153  -3.485          0.001
-ATOM     32  CA  ALA    17      10.219   5.970  -5.327          0.001
-ATOM     33  CB  ALA    17      10.490   6.161  -5.991          0.001
-ATOM     34  CA  GLY    18       6.802   7.421  -4.506          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.76                                       ENERGY     6.43937E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.198  -0.597  -0.093          0.001
-ATOM      2  CA  ALA     2       3.863   0.270   0.375          0.003
-ATOM      3  CB  ALA     2       3.922   0.732   0.953          0.000
-ATOM      4  CA  ALA     3       6.694  -2.217  -0.155          0.011
-ATOM      5  CB  ALA     3       7.038  -2.639  -0.654          0.020
-ATOM      6  CA  ALA     4      10.368  -1.234  -0.053          0.004
-ATOM      7  CB  ALA     4      10.532  -0.857   0.572          0.002
-ATOM      8  CA  CYS     5      12.666  -4.112  -0.873          0.040
-ATOM      9  CB  CYS     5      12.338  -4.665  -1.957          0.007
-ATOM     10  CA  ALA     6      16.077  -5.610  -1.419          0.055
-ATOM     11  CB  ALA     6      16.832  -5.551  -1.454          0.242
-ATOM     12  CA  ALA     7      14.919  -7.754   1.686          0.136
-ATOM     13  CB  ALA     7      14.894  -7.858  -4.127          0.045
-ATOM     14  CA  ALA     8      14.365 -10.237  -1.260          0.058
-ATOM     15  CB  ALA     8      14.547 -10.493  -1.865          0.398
-ATOM     16  CA  ALA     9      13.788 -13.906  -2.292          0.023
-ATOM     17  CB  ALA     9      14.141 -14.303  -1.842          0.092
-ATOM     18  CA  ALA    10      10.029 -13.410  -2.504          0.003
-ATOM     19  CB  ALA    10      10.039 -12.692  -2.402          0.032
-ATOM     20  CA  ALA    11       8.625 -13.973  -5.982          0.000
-ATOM     21  CB  ALA    11       8.293 -14.604  -6.207          0.002
-ATOM     22  CA  ALA    12       7.804 -10.282  -6.403          0.001
-ATOM     23  CB  ALA    12       7.450  -9.808  -5.949          0.002
-ATOM     24  CA  ALA    13      10.006  -7.414  -7.575          0.000
-ATOM     25  CB  ALA    13      10.098  -7.393  -8.313          0.000
-ATOM     26  CA  CYS    14       9.848  -4.107  -5.700          0.000
-ATOM     27  CB  CYS    14      10.174  -4.133  -4.503          0.001
-ATOM     28  CA  ALA    15      10.937  -0.547  -6.466          0.000
-ATOM     29  CB  ALA    15      10.764  -0.400  -7.171          0.001
-ATOM     30  CA  ALA    16      10.579   2.394  -4.088          0.001
-ATOM     31  CB  ALA    16      10.937   2.154  -3.483          0.001
-ATOM     32  CA  ALA    17      10.220   5.970  -5.325          0.001
-ATOM     33  CB  ALA    17      10.490   6.161  -5.990          0.001
-ATOM     34  CA  GLY    18       6.803   7.421  -4.506          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.81                                       ENERGY     6.47530E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.197  -0.598  -0.093          0.001
-ATOM      2  CA  ALA     2       3.862   0.269   0.376          0.003
-ATOM      3  CB  ALA     2       3.923   0.731   0.953          0.000
-ATOM      4  CA  ALA     3       6.699  -2.213  -0.156          0.010
-ATOM      5  CB  ALA     3       7.033  -2.642  -0.657          0.021
-ATOM      6  CA  ALA     4      10.371  -1.235  -0.053          0.004
-ATOM      7  CB  ALA     4      10.532  -0.857   0.570          0.002
-ATOM      8  CA  CYS     5      12.660  -4.115  -0.870          0.029
-ATOM      9  CB  CYS     5      12.335  -4.663  -1.955          0.007
-ATOM     10  CA  ALA     6      16.072  -5.605  -1.434          0.043
-ATOM     11  CB  ALA     6      16.851  -5.538  -1.452          0.227
-ATOM     12  CA  ALA     7      14.925  -7.737   1.696          0.129
-ATOM     13  CB  ALA     7      14.893  -7.853  -4.130          0.145
-ATOM     14  CA  ALA     8      14.349 -10.237  -1.250          0.053
-ATOM     15  CB  ALA     8      14.553 -10.521  -1.877          0.425
-ATOM     16  CA  ALA     9      13.788 -13.921  -2.298          0.019
-ATOM     17  CB  ALA     9      14.147 -14.316  -1.837          0.099
-ATOM     18  CA  ALA    10      10.031 -13.406  -2.506          0.002
-ATOM     19  CB  ALA    10      10.038 -12.683  -2.401          0.033
-ATOM     20  CA  ALA    11       8.625 -13.974  -5.982          0.000
-ATOM     21  CB  ALA    11       8.291 -14.604  -6.209          0.002
-ATOM     22  CA  ALA    12       7.805 -10.282  -6.404          0.001
-ATOM     23  CB  ALA    12       7.452  -9.810  -5.949          0.002
-ATOM     24  CA  ALA    13      10.008  -7.414  -7.574          0.000
-ATOM     25  CB  ALA    13      10.098  -7.392  -8.312          0.000
-ATOM     26  CA  CYS    14       9.845  -4.107  -5.700          0.000
-ATOM     27  CB  CYS    14      10.174  -4.132  -4.504          0.001
-ATOM     28  CA  ALA    15      10.938  -0.548  -6.465          0.000
-ATOM     29  CB  ALA    15      10.765  -0.398  -7.171          0.001
-ATOM     30  CA  ALA    16      10.578   2.393  -4.088          0.001
-ATOM     31  CB  ALA    16      10.936   2.155  -3.482          0.001
-ATOM     32  CA  ALA    17      10.221   5.970  -5.323          0.001
-ATOM     33  CB  ALA    17      10.490   6.161  -5.988          0.001
-ATOM     34  CA  GLY    18       6.804   7.421  -4.505          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.85                                       ENERGY     6.50996E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.195  -0.599  -0.093          0.001
-ATOM      2  CA  ALA     2       3.861   0.269   0.376          0.004
-ATOM      3  CB  ALA     2       3.924   0.730   0.953          0.001
-ATOM      4  CA  ALA     3       6.704  -2.209  -0.157          0.011
-ATOM      5  CB  ALA     3       7.027  -2.645  -0.659          0.024
-ATOM      6  CA  ALA     4      10.374  -1.235  -0.052          0.004
-ATOM      7  CB  ALA     4      10.531  -0.857   0.568          0.002
-ATOM      8  CA  CYS     5      12.655  -4.119  -0.868          0.022
-ATOM      9  CB  CYS     5      12.333  -4.662  -1.953          0.008
-ATOM     10  CA  ALA     6      16.067  -5.603  -1.443          0.033
-ATOM     11  CB  ALA     6      16.868  -5.528  -1.449          0.223
-ATOM     12  CA  ALA     7      14.930  -7.723   1.702          0.108
-ATOM     13  CB  ALA     7      14.892  -7.845  -4.138          0.230
-ATOM     14  CA  ALA     8      14.334 -10.237  -1.239          0.053
-ATOM     15  CB  ALA     8      14.558 -10.546  -1.886          0.457
-ATOM     16  CA  ALA     9      13.787 -13.933  -2.303          0.016
-ATOM     17  CB  ALA     9      14.153 -14.328  -1.833          0.109
-ATOM     18  CA  ALA    10      10.033 -13.403  -2.508          0.002
-ATOM     19  CB  ALA    10      10.036 -12.676  -2.399          0.035
-ATOM     20  CA  ALA    11       8.625 -13.974  -5.982          0.000
-ATOM     21  CB  ALA    11       8.290 -14.604  -6.211          0.002
-ATOM     22  CA  ALA    12       7.807 -10.282  -6.405          0.001
-ATOM     23  CB  ALA    12       7.453  -9.811  -5.949          0.002
-ATOM     24  CA  ALA    13      10.009  -7.414  -7.573          0.000
-ATOM     25  CB  ALA    13      10.098  -7.392  -8.311          0.000
-ATOM     26  CA  CYS    14       9.843  -4.107  -5.700          0.000
-ATOM     27  CB  CYS    14      10.174  -4.131  -4.504          0.001
-ATOM     28  CA  ALA    15      10.939  -0.548  -6.465          0.000
-ATOM     29  CB  ALA    15      10.766  -0.397  -7.170          0.002
-ATOM     30  CA  ALA    16      10.578   2.392  -4.087          0.001
-ATOM     31  CB  ALA    16      10.935   2.156  -3.481          0.001
-ATOM     32  CA  ALA    17      10.222   5.969  -5.322          0.001
-ATOM     33  CB  ALA    17      10.489   6.162  -5.987          0.001
-ATOM     34  CA  GLY    18       6.804   7.422  -4.505          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.89                                       ENERGY     6.54874E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.194  -0.599  -0.092          0.001
-ATOM      2  CA  ALA     2       3.861   0.268   0.376          0.004
-ATOM      3  CB  ALA     2       3.925   0.730   0.953          0.001
-ATOM      4  CA  ALA     3       6.708  -2.205  -0.158          0.012
-ATOM      5  CB  ALA     3       7.022  -2.647  -0.661          0.025
-ATOM      6  CA  ALA     4      10.377  -1.234  -0.052          0.003
-ATOM      7  CB  ALA     4      10.531  -0.856   0.566          0.003
-ATOM      8  CA  CYS     5      12.649  -4.123  -0.868          0.017
-ATOM      9  CB  CYS     5      12.330  -4.660  -1.951          0.008
-ATOM     10  CA  ALA     6      16.064  -5.603  -1.448          0.025
-ATOM     11  CB  ALA     6      16.884  -5.518  -1.445          0.214
-ATOM     12  CA  ALA     7      14.935  -7.711   1.704          0.082
-ATOM     13  CB  ALA     7      14.891  -7.836  -4.151          0.324
-ATOM     14  CA  ALA     8      14.321 -10.237  -1.226          0.054
-ATOM     15  CB  ALA     8      14.563 -10.572  -1.895          0.473
-ATOM     16  CA  ALA     9      13.786 -13.942  -2.309          0.012
-ATOM     17  CB  ALA     9      14.158 -14.339  -1.828          0.116
-ATOM     18  CA  ALA    10      10.035 -13.401  -2.510          0.001
-ATOM     19  CB  ALA    10      10.035 -12.669  -2.397          0.037
-ATOM     20  CA  ALA    11       8.625 -13.974  -5.983          0.000
-ATOM     21  CB  ALA    11       8.289 -14.603  -6.212          0.002
-ATOM     22  CA  ALA    12       7.808 -10.282  -6.405          0.001
-ATOM     23  CB  ALA    12       7.454  -9.812  -5.948          0.003
-ATOM     24  CA  ALA    13      10.011  -7.414  -7.572          0.001
-ATOM     25  CB  ALA    13      10.099  -7.392  -8.310          0.001
-ATOM     26  CA  CYS    14       9.840  -4.106  -5.699          0.001
-ATOM     27  CB  CYS    14      10.174  -4.129  -4.504          0.001
-ATOM     28  CA  ALA    15      10.940  -0.549  -6.465          0.000
-ATOM     29  CB  ALA    15      10.767  -0.396  -7.169          0.001
-ATOM     30  CA  ALA    16      10.577   2.391  -4.087          0.001
-ATOM     31  CB  ALA    16      10.934   2.156  -3.480          0.001
-ATOM     32  CA  ALA    17      10.223   5.969  -5.321          0.001
-ATOM     33  CB  ALA    17      10.489   6.162  -5.986          0.001
-ATOM     34  CA  GLY    18       6.805   7.422  -4.505          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.93                                       ENERGY     6.59002E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.192  -0.600  -0.092          0.001
-ATOM      2  CA  ALA     2       3.861   0.267   0.377          0.005
-ATOM      3  CB  ALA     2       3.926   0.729   0.953          0.001
-ATOM      4  CA  ALA     3       6.712  -2.201  -0.160          0.013
-ATOM      5  CB  ALA     3       7.017  -2.650  -0.663          0.027
-ATOM      6  CA  ALA     4      10.380  -1.233  -0.051          0.004
-ATOM      7  CB  ALA     4      10.530  -0.856   0.564          0.003
-ATOM      8  CA  CYS     5      12.643  -4.127  -0.868          0.015
-ATOM      9  CB  CYS     5      12.328  -4.659  -1.949          0.008
-ATOM     10  CA  ALA     6      16.063  -5.603  -1.449          0.018
-ATOM     11  CB  ALA     6      16.898  -5.509  -1.440          0.198
-ATOM     12  CA  ALA     7      14.939  -7.699   1.702          0.056
-ATOM     13  CB  ALA     7      14.892  -7.824  -4.168          0.428
-ATOM     14  CA  ALA     8      14.308 -10.240  -1.212          0.055
-ATOM     15  CB  ALA     8      14.567 -10.597  -1.901          0.470
-ATOM     16  CA  ALA     9      13.785 -13.948  -2.313          0.009
-ATOM     17  CB  ALA     9      14.164 -14.350  -1.823          0.119
-ATOM     18  CA  ALA    10      10.037 -13.400  -2.511          0.001
-ATOM     19  CB  ALA    10      10.033 -12.662  -2.396          0.037
-ATOM     20  CA  ALA    11       8.624 -13.975  -5.983          0.000
-ATOM     21  CB  ALA    11       8.288 -14.603  -6.213          0.002
-ATOM     22  CA  ALA    12       7.809 -10.282  -6.405          0.001
-ATOM     23  CB  ALA    12       7.456  -9.814  -5.948          0.003
-ATOM     24  CA  ALA    13      10.012  -7.414  -7.571          0.001
-ATOM     25  CB  ALA    13      10.099  -7.392  -8.309          0.001
-ATOM     26  CA  CYS    14       9.838  -4.106  -5.699          0.001
-ATOM     27  CB  CYS    14      10.174  -4.128  -4.505          0.001
-ATOM     28  CA  ALA    15      10.940  -0.549  -6.465          0.000
-ATOM     29  CB  ALA    15      10.767  -0.395  -7.169          0.001
-ATOM     30  CA  ALA    16      10.576   2.391  -4.087          0.001
-ATOM     31  CB  ALA    16      10.934   2.157  -3.479          0.001
-ATOM     32  CA  ALA    17      10.224   5.969  -5.319          0.001
-ATOM     33  CB  ALA    17      10.489   6.162  -5.985          0.001
-ATOM     34  CA  GLY    18       6.806   7.422  -4.505          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   10.97                                       ENERGY     6.63044E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.190  -0.601  -0.091          0.001
-ATOM      2  CA  ALA     2       3.861   0.267   0.377          0.005
-ATOM      3  CB  ALA     2       3.927   0.729   0.953          0.001
-ATOM      4  CA  ALA     3       6.716  -2.198  -0.161          0.014
-ATOM      5  CB  ALA     3       7.012  -2.652  -0.666          0.030
-ATOM      6  CA  ALA     4      10.382  -1.231  -0.050          0.004
-ATOM      7  CB  ALA     4      10.530  -0.855   0.563          0.003
-ATOM      8  CA  CYS     5      12.637  -4.131  -0.869          0.016
-ATOM      9  CB  CYS     5      12.326  -4.657  -1.947          0.008
-ATOM     10  CA  ALA     6      16.063  -5.605  -1.447          0.015
-ATOM     11  CB  ALA     6      16.909  -5.500  -1.435          0.183
-ATOM     12  CA  ALA     7      14.942  -7.689   1.699          0.032
-ATOM     13  CB  ALA     7      14.892  -7.811  -4.187          0.488
-ATOM     14  CA  ALA     8      14.297 -10.243  -1.199          0.057
-ATOM     15  CB  ALA     8      14.572 -10.620  -1.906          0.457
-ATOM     16  CA  ALA     9      13.785 -13.952  -2.317          0.006
-ATOM     17  CB  ALA     9      14.170 -14.359  -1.818          0.119
-ATOM     18  CA  ALA    10      10.038 -13.398  -2.513          0.001
-ATOM     19  CB  ALA    10      10.032 -12.655  -2.394          0.037
-ATOM     20  CA  ALA    11       8.624 -13.975  -5.983          0.000
-ATOM     21  CB  ALA    11       8.287 -14.602  -6.214          0.002
-ATOM     22  CA  ALA    12       7.810 -10.282  -6.406          0.001
-ATOM     23  CB  ALA    12       7.457  -9.815  -5.947          0.003
-ATOM     24  CA  ALA    13      10.013  -7.414  -7.570          0.001
-ATOM     25  CB  ALA    13      10.099  -7.392  -8.309          0.001
-ATOM     26  CA  CYS    14       9.836  -4.106  -5.699          0.001
-ATOM     27  CB  CYS    14      10.174  -4.127  -4.505          0.001
-ATOM     28  CA  ALA    15      10.941  -0.550  -6.465          0.000
-ATOM     29  CB  ALA    15      10.768  -0.394  -7.168          0.002
-ATOM     30  CA  ALA    16      10.576   2.390  -4.087          0.001
-ATOM     31  CB  ALA    16      10.933   2.158  -3.478          0.002
-ATOM     32  CA  ALA    17      10.225   5.968  -5.318          0.001
-ATOM     33  CB  ALA    17      10.488   6.162  -5.984          0.001
-ATOM     34  CA  GLY    18       6.807   7.422  -4.505          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.00                                       ENERGY     6.66969E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.189  -0.601  -0.091          0.001
-ATOM      2  CA  ALA     2       3.861   0.266   0.377          0.005
-ATOM      3  CB  ALA     2       3.928   0.728   0.953          0.002
-ATOM      4  CA  ALA     3       6.719  -2.194  -0.162          0.015
-ATOM      5  CB  ALA     3       7.007  -2.654  -0.668          0.030
-ATOM      6  CA  ALA     4      10.384  -1.229  -0.048          0.004
-ATOM      7  CB  ALA     4      10.529  -0.854   0.561          0.003
-ATOM      8  CA  CYS     5      12.631  -4.135  -0.870          0.018
-ATOM      9  CB  CYS     5      12.323  -4.656  -1.946          0.008
-ATOM     10  CA  ALA     6      16.064  -5.608  -1.444          0.020
-ATOM     11  CB  ALA     6      16.919  -5.493  -1.430          0.165
-ATOM     12  CA  ALA     7      14.945  -7.681   1.693          0.015
-ATOM     13  CB  ALA     7      14.893  -7.798  -4.208          0.488
-ATOM     14  CA  ALA     8      14.287 -10.247  -1.187          0.059
-ATOM     15  CB  ALA     8      14.575 -10.640  -1.909          0.426
-ATOM     16  CA  ALA     9      13.785 -13.953  -2.320          0.004
-ATOM     17  CB  ALA     9      14.175 -14.368  -1.814          0.115
-ATOM     18  CA  ALA    10      10.040 -13.398  -2.515          0.001
-ATOM     19  CB  ALA    10      10.030 -12.650  -2.392          0.035
-ATOM     20  CA  ALA    11       8.623 -13.975  -5.984          0.000
-ATOM     21  CB  ALA    11       8.286 -14.601  -6.215          0.002
-ATOM     22  CA  ALA    12       7.811 -10.282  -6.406          0.001
-ATOM     23  CB  ALA    12       7.458  -9.816  -5.947          0.004
-ATOM     24  CA  ALA    13      10.014  -7.414  -7.569          0.001
-ATOM     25  CB  ALA    13      10.099  -7.392  -8.308          0.001
-ATOM     26  CA  CYS    14       9.833  -4.106  -5.699          0.001
-ATOM     27  CB  CYS    14      10.174  -4.126  -4.506          0.001
-ATOM     28  CA  ALA    15      10.942  -0.551  -6.464          0.001
-ATOM     29  CB  ALA    15      10.769  -0.393  -7.168          0.001
-ATOM     30  CA  ALA    16      10.575   2.389  -4.087          0.000
-ATOM     31  CB  ALA    16      10.932   2.159  -3.478          0.001
-ATOM     32  CA  ALA    17      10.225   5.968  -5.317          0.001
-ATOM     33  CB  ALA    17      10.488   6.162  -5.984          0.000
-ATOM     34  CA  GLY    18       6.807   7.422  -4.505          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.03                                       ENERGY     6.70725E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.602  -0.090          0.001
-ATOM      2  CA  ALA     2       3.861   0.265   0.377          0.005
-ATOM      3  CB  ALA     2       3.929   0.728   0.953          0.002
-ATOM      4  CA  ALA     3       6.722  -2.191  -0.163          0.016
-ATOM      5  CB  ALA     3       7.002  -2.656  -0.670          0.031
-ATOM      6  CA  ALA     4      10.386  -1.226  -0.047          0.005
-ATOM      7  CB  ALA     4      10.529  -0.852   0.560          0.004
-ATOM      8  CA  CYS     5      12.625  -4.140  -0.872          0.023
-ATOM      9  CB  CYS     5      12.321  -4.655  -1.945          0.008
-ATOM     10  CA  ALA     6      16.067  -5.610  -1.438          0.021
-ATOM     11  CB  ALA     6      16.927  -5.485  -1.424          0.145
-ATOM     12  CA  ALA     7      14.946  -7.673   1.685          0.013
-ATOM     13  CB  ALA     7      14.894  -7.783  -4.231          0.556
-ATOM     14  CA  ALA     8      14.278 -10.253  -1.175          0.058
-ATOM     15  CB  ALA     8      14.579 -10.661  -1.910          0.387
-ATOM     16  CA  ALA     9      13.784 -13.954  -2.321          0.003
-ATOM     17  CB  ALA     9      14.180 -14.376  -1.809          0.107
-ATOM     18  CA  ALA    10      10.041 -13.397  -2.516          0.001
-ATOM     19  CB  ALA    10      10.029 -12.644  -2.391          0.032
-ATOM     20  CA  ALA    11       8.623 -13.976  -5.984          0.000
-ATOM     21  CB  ALA    11       8.285 -14.600  -6.216          0.002
-ATOM     22  CA  ALA    12       7.812 -10.283  -6.406          0.001
-ATOM     23  CB  ALA    12       7.459  -9.818  -5.946          0.004
-ATOM     24  CA  ALA    13      10.015  -7.414  -7.568          0.001
-ATOM     25  CB  ALA    13      10.098  -7.392  -8.307          0.001
-ATOM     26  CA  CYS    14       9.831  -4.106  -5.698          0.001
-ATOM     27  CB  CYS    14      10.174  -4.125  -4.506          0.001
-ATOM     28  CA  ALA    15      10.942  -0.551  -6.465          0.001
-ATOM     29  CB  ALA    15      10.769  -0.392  -7.168          0.001
-ATOM     30  CA  ALA    16      10.575   2.388  -4.087          0.000
-ATOM     31  CB  ALA    16      10.931   2.160  -3.477          0.001
-ATOM     32  CA  ALA    17      10.226   5.967  -5.317          0.001
-ATOM     33  CB  ALA    17      10.488   6.163  -5.983          0.000
-ATOM     34  CA  GLY    18       6.808   7.423  -4.505          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.07                                       ENERGY     6.74006E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.186  -0.602  -0.089          0.001
-ATOM      2  CA  ALA     2       3.862   0.264   0.377          0.004
-ATOM      3  CB  ALA     2       3.931   0.727   0.953          0.002
-ATOM      4  CA  ALA     3       6.725  -2.187  -0.164          0.016
-ATOM      5  CB  ALA     3       6.997  -2.659  -0.672          0.032
-ATOM      6  CA  ALA     4      10.387  -1.222  -0.046          0.005
-ATOM      7  CB  ALA     4      10.528  -0.851   0.559          0.004
-ATOM      8  CA  CYS     5      12.619  -4.145  -0.874          0.028
-ATOM      9  CB  CYS     5      12.318  -4.654  -1.944          0.008
-ATOM     10  CA  ALA     6      16.071  -5.613  -1.430          0.019
-ATOM     11  CB  ALA     6      16.935  -5.478  -1.418          0.125
-ATOM     12  CA  ALA     7      14.947  -7.666   1.674          0.017
-ATOM     13  CB  ALA     7      14.896  -7.767  -4.255          0.658
-ATOM     14  CA  ALA     8      14.270 -10.261  -1.163          0.054
-ATOM     15  CB  ALA     8      14.582 -10.680  -1.910          0.341
-ATOM     16  CA  ALA     9      13.785 -13.952  -2.322          0.003
-ATOM     17  CB  ALA     9      14.185 -14.384  -1.804          0.095
-ATOM     18  CA  ALA    10      10.042 -13.396  -2.517          0.001
-ATOM     19  CB  ALA    10      10.027 -12.639  -2.389          0.028
-ATOM     20  CA  ALA    11       8.622 -13.976  -5.984          0.000
-ATOM     21  CB  ALA    11       8.284 -14.599  -6.217          0.002
-ATOM     22  CA  ALA    12       7.813 -10.283  -6.406          0.001
-ATOM     23  CB  ALA    12       7.461  -9.819  -5.945          0.004
-ATOM     24  CA  ALA    13      10.017  -7.414  -7.567          0.001
-ATOM     25  CB  ALA    13      10.098  -7.392  -8.306          0.001
-ATOM     26  CA  CYS    14       9.828  -4.106  -5.698          0.001
-ATOM     27  CB  CYS    14      10.174  -4.124  -4.506          0.001
-ATOM     28  CA  ALA    15      10.943  -0.552  -6.465          0.001
-ATOM     29  CB  ALA    15      10.770  -0.391  -7.167          0.001
-ATOM     30  CA  ALA    16      10.574   2.387  -4.087          0.001
-ATOM     31  CB  ALA    16      10.931   2.160  -3.477          0.002
-ATOM     32  CA  ALA    17      10.227   5.967  -5.316          0.001
-ATOM     33  CB  ALA    17      10.487   6.163  -5.983          0.000
-ATOM     34  CA  GLY    18       6.809   7.423  -4.505          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.09                                       ENERGY     6.76854E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.185  -0.602  -0.089          0.001
-ATOM      2  CA  ALA     2       3.862   0.263   0.377          0.004
-ATOM      3  CB  ALA     2       3.931   0.727   0.953          0.002
-ATOM      4  CA  ALA     3       6.727  -2.185  -0.165          0.017
-ATOM      5  CB  ALA     3       6.994  -2.660  -0.674          0.033
-ATOM      6  CA  ALA     4      10.389  -1.220  -0.045          0.005
-ATOM      7  CB  ALA     4      10.528  -0.850   0.558          0.004
-ATOM      8  CA  CYS     5      12.616  -4.148  -0.876          0.033
-ATOM      9  CB  CYS     5      12.317  -4.653  -1.944          0.007
-ATOM     10  CA  ALA     6      16.075  -5.616  -1.424          0.026
-ATOM     11  CB  ALA     6      16.938  -5.474  -1.413          0.116
-ATOM     12  CA  ALA     7      14.947  -7.662   1.667          0.030
-ATOM     13  CB  ALA     7      14.897  -7.756  -4.273          0.614
-ATOM     14  CA  ALA     8      14.265 -10.267  -1.156          0.054
-ATOM     15  CB  ALA     8      14.584 -10.693  -1.908          0.312
-ATOM     16  CA  ALA     9      13.785 -13.950  -2.322          0.004
-ATOM     17  CB  ALA     9      14.188 -14.388  -1.800          0.087
-ATOM     18  CA  ALA    10      10.043 -13.396  -2.519          0.001
-ATOM     19  CB  ALA    10      10.026 -12.636  -2.388          0.025
-ATOM     20  CA  ALA    11       8.622 -13.977  -5.984          0.000
-ATOM     21  CB  ALA    11       8.283 -14.599  -6.217          0.002
-ATOM     22  CA  ALA    12       7.814 -10.283  -6.406          0.001
-ATOM     23  CB  ALA    12       7.461  -9.820  -5.945          0.004
-ATOM     24  CA  ALA    13      10.018  -7.414  -7.566          0.001
-ATOM     25  CB  ALA    13      10.098  -7.392  -8.305          0.001
-ATOM     26  CA  CYS    14       9.827  -4.106  -5.698          0.001
-ATOM     27  CB  CYS    14      10.174  -4.123  -4.507          0.001
-ATOM     28  CA  ALA    15      10.943  -0.553  -6.465          0.001
-ATOM     29  CB  ALA    15      10.770  -0.390  -7.167          0.001
-ATOM     30  CA  ALA    16      10.573   2.387  -4.087          0.001
-ATOM     31  CB  ALA    16      10.930   2.161  -3.476          0.002
-ATOM     32  CA  ALA    17      10.227   5.967  -5.315          0.001
-ATOM     33  CB  ALA    17      10.487   6.163  -5.983          0.000
-ATOM     34  CA  GLY    18       6.809   7.423  -4.505          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.12                                       ENERGY     6.78821E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.185  -0.603  -0.088          0.001
-ATOM      2  CA  ALA     2       3.863   0.263   0.377          0.004
-ATOM      3  CB  ALA     2       3.932   0.727   0.953          0.002
-ATOM      4  CA  ALA     3       6.729  -2.182  -0.166          0.017
-ATOM      5  CB  ALA     3       6.990  -2.662  -0.675          0.031
-ATOM      6  CA  ALA     4      10.390  -1.217  -0.044          0.004
-ATOM      7  CB  ALA     4      10.528  -0.848   0.557          0.005
-ATOM      8  CA  CYS     5      12.611  -4.152  -0.877          0.030
-ATOM      9  CB  CYS     5      12.315  -4.652  -1.943          0.007
-ATOM     10  CA  ALA     6      16.080  -5.618  -1.416          0.014
-ATOM     11  CB  ALA     6      16.942  -5.468  -1.408          0.096
-ATOM     12  CA  ALA     7      14.947  -7.658   1.655          0.024
-ATOM     13  CB  ALA     7      14.898  -7.742  -4.291          0.835
-ATOM     14  CA  ALA     8      14.261 -10.274  -1.148          0.044
-ATOM     15  CB  ALA     8      14.586 -10.706  -1.906          0.267
-ATOM     16  CA  ALA     9      13.785 -13.948  -2.321          0.005
-ATOM     17  CB  ALA     9      14.192 -14.394  -1.797          0.076
-ATOM     18  CA  ALA    10      10.043 -13.396  -2.520          0.001
-ATOM     19  CB  ALA    10      10.024 -12.632  -2.387          0.022
-ATOM     20  CA  ALA    11       8.621 -13.977  -5.984          0.000
-ATOM     21  CB  ALA    11       8.283 -14.598  -6.218          0.002
-ATOM     22  CA  ALA    12       7.815 -10.283  -6.406          0.001
-ATOM     23  CB  ALA    12       7.462  -9.822  -5.944          0.004
-ATOM     24  CA  ALA    13      10.018  -7.414  -7.565          0.001
-ATOM     25  CB  ALA    13      10.098  -7.392  -8.304          0.001
-ATOM     26  CA  CYS    14       9.825  -4.106  -5.698          0.001
-ATOM     27  CB  CYS    14      10.174  -4.123  -4.507          0.001
-ATOM     28  CA  ALA    15      10.944  -0.553  -6.465          0.001
-ATOM     29  CB  ALA    15      10.771  -0.390  -7.167          0.001
-ATOM     30  CA  ALA    16      10.573   2.386  -4.087          0.000
-ATOM     31  CB  ALA    16      10.929   2.161  -3.476          0.001
-ATOM     32  CA  ALA    17      10.228   5.966  -5.315          0.000
-ATOM     33  CB  ALA    17      10.487   6.163  -5.982          0.000
-ATOM     34  CA  GLY    18       6.810   7.423  -4.506          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.13                                       ENERGY     6.78552E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.184  -0.603  -0.088          0.001
-ATOM      2  CA  ALA     2       3.863   0.262   0.378          0.004
-ATOM      3  CB  ALA     2       3.933   0.726   0.953          0.002
-ATOM      4  CA  ALA     3       6.730  -2.181  -0.166          0.017
-ATOM      5  CB  ALA     3       6.988  -2.663  -0.676          0.032
-ATOM      6  CA  ALA     4      10.391  -1.215  -0.044          0.005
-ATOM      7  CB  ALA     4      10.528  -0.847   0.557          0.006
-ATOM      8  CA  CYS     5      12.609  -4.155  -0.879          0.035
-ATOM      9  CB  CYS     5      12.314  -4.652  -1.943          0.007
-ATOM     10  CA  ALA     6      16.083  -5.619  -1.411          0.021
-ATOM     11  CB  ALA     6      16.944  -5.466  -1.405          0.097
-ATOM     12  CA  ALA     7      14.946  -7.656   1.646          0.039
-ATOM     13  CB  ALA     7      14.899  -7.735  -4.299          0.752
-ATOM     14  CA  ALA     8      14.258 -10.279  -1.144          0.047
-ATOM     15  CB  ALA     8      14.586 -10.713  -1.903          0.262
-ATOM     16  CA  ALA     9      13.786 -13.946  -2.320          0.006
-ATOM     17  CB  ALA     9      14.194 -14.396  -1.795          0.073
-ATOM     18  CA  ALA    10      10.043 -13.395  -2.521          0.001
-ATOM     19  CB  ALA    10      10.024 -12.631  -2.386          0.021
-ATOM     20  CA  ALA    11       8.621 -13.978  -5.984          0.000
-ATOM     21  CB  ALA    11       8.282 -14.597  -6.218          0.002
-ATOM     22  CA  ALA    12       7.815 -10.284  -6.406          0.001
-ATOM     23  CB  ALA    12       7.463  -9.822  -5.944          0.004
-ATOM     24  CA  ALA    13      10.019  -7.414  -7.565          0.001
-ATOM     25  CB  ALA    13      10.098  -7.392  -8.304          0.001
-ATOM     26  CA  CYS    14       9.824  -4.106  -5.698          0.001
-ATOM     27  CB  CYS    14      10.174  -4.122  -4.507          0.001
-ATOM     28  CA  ALA    15      10.944  -0.554  -6.465          0.001
-ATOM     29  CB  ALA    15      10.771  -0.389  -7.167          0.001
-ATOM     30  CA  ALA    16      10.573   2.386  -4.087          0.000
-ATOM     31  CB  ALA    16      10.929   2.162  -3.476          0.001
-ATOM     32  CA  ALA    17      10.228   5.966  -5.315          0.001
-ATOM     33  CB  ALA    17      10.487   6.163  -5.982          0.000
-ATOM     34  CA  GLY    18       6.810   7.423  -4.506          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.15                                       ENERGY     6.80347E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.184  -0.603  -0.087          0.001
-ATOM      2  CA  ALA     2       3.863   0.262   0.378          0.003
-ATOM      3  CB  ALA     2       3.934   0.726   0.954          0.002
-ATOM      4  CA  ALA     3       6.731  -2.179  -0.167          0.017
-ATOM      5  CB  ALA     3       6.986  -2.664  -0.677          0.032
-ATOM      6  CA  ALA     4      10.392  -1.213  -0.043          0.005
-ATOM      7  CB  ALA     4      10.528  -0.846   0.557          0.006
-ATOM      8  CA  CYS     5      12.606  -4.158  -0.880          0.037
-ATOM      9  CB  CYS     5      12.312  -4.652  -1.943          0.007
-ATOM     10  CA  ALA     6      16.087  -5.620  -1.405          0.022
-ATOM     11  CB  ALA     6      16.945  -5.462  -1.402          0.092
-ATOM     12  CA  ALA     7      14.945  -7.654   1.640          0.049
-ATOM     13  CB  ALA     7      14.900  -7.726  -4.313          0.753
-ATOM     14  CA  ALA     8      14.256 -10.284  -1.140          0.046
-ATOM     15  CB  ALA     8      14.587 -10.720  -1.901          0.245
-ATOM     16  CA  ALA     9      13.786 -13.944  -2.319          0.007
-ATOM     17  CB  ALA     9      14.196 -14.399  -1.793          0.067
-ATOM     18  CA  ALA    10      10.044 -13.395  -2.521          0.001
-ATOM     19  CB  ALA    10      10.023 -12.629  -2.385          0.019
-ATOM     20  CA  ALA    11       8.621 -13.978  -5.985          0.000
-ATOM     21  CB  ALA    11       8.282 -14.597  -6.218          0.002
-ATOM     22  CA  ALA    12       7.815 -10.284  -6.406          0.001
-ATOM     23  CB  ALA    12       7.463  -9.823  -5.943          0.004
-ATOM     24  CA  ALA    13      10.020  -7.414  -7.564          0.001
-ATOM     25  CB  ALA    13      10.098  -7.392  -8.303          0.001
-ATOM     26  CA  CYS    14       9.822  -4.106  -5.698          0.001
-ATOM     27  CB  CYS    14      10.174  -4.122  -4.507          0.001
-ATOM     28  CA  ALA    15      10.944  -0.554  -6.465          0.001
-ATOM     29  CB  ALA    15      10.771  -0.389  -7.167          0.001
-ATOM     30  CA  ALA    16      10.572   2.385  -4.087          0.000
-ATOM     31  CB  ALA    16      10.929   2.162  -3.475          0.002
-ATOM     32  CA  ALA    17      10.228   5.966  -5.314          0.001
-ATOM     33  CB  ALA    17      10.486   6.163  -5.982          0.000
-ATOM     34  CA  GLY    18       6.811   7.423  -4.506          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.17                                       ENERGY     6.80546E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.183  -0.603  -0.087          0.001
-ATOM      2  CA  ALA     2       3.863   0.261   0.378          0.003
-ATOM      3  CB  ALA     2       3.935   0.726   0.954          0.002
-ATOM      4  CA  ALA     3       6.733  -2.177  -0.167          0.016
-ATOM      5  CB  ALA     3       6.982  -2.665  -0.679          0.028
-ATOM      6  CA  ALA     4      10.393  -1.210  -0.042          0.004
-ATOM      7  CB  ALA     4      10.528  -0.844   0.557          0.006
-ATOM      8  CA  CYS     5      12.602  -4.161  -0.881          0.030
-ATOM      9  CB  CYS     5      12.311  -4.651  -1.942          0.006
-ATOM     10  CA  ALA     6      16.093  -5.621  -1.398          0.009
-ATOM     11  CB  ALA     6      16.947  -5.458  -1.397          0.073
-ATOM     12  CA  ALA     7      14.943  -7.652   1.627          0.032
-ATOM     13  CB  ALA     7      14.902  -7.715  -4.327          1.032
-ATOM     14  CA  ALA     8      14.253 -10.292  -1.134          0.034
-ATOM     15  CB  ALA     8      14.588 -10.729  -1.896          0.198
-ATOM     16  CA  ALA     9      13.787 -13.941  -2.317          0.008
-ATOM     17  CB  ALA     9      14.198 -14.403  -1.790          0.054
-ATOM     18  CA  ALA    10      10.044 -13.394  -2.523          0.001
-ATOM     19  CB  ALA    10      10.022 -12.626  -2.384          0.015
-ATOM     20  CA  ALA    11       8.620 -13.978  -5.985          0.000
-ATOM     21  CB  ALA    11       8.281 -14.596  -6.218          0.002
-ATOM     22  CA  ALA    12       7.816 -10.284  -6.406          0.001
-ATOM     23  CB  ALA    12       7.464  -9.824  -5.943          0.004
-ATOM     24  CA  ALA    13      10.020  -7.414  -7.564          0.001
-ATOM     25  CB  ALA    13      10.098  -7.392  -8.302          0.001
-ATOM     26  CA  CYS    14       9.821  -4.106  -5.698          0.001
-ATOM     27  CB  CYS    14      10.173  -4.121  -4.508          0.001
-ATOM     28  CA  ALA    15      10.944  -0.555  -6.465          0.001
-ATOM     29  CB  ALA    15      10.771  -0.388  -7.167          0.001
-ATOM     30  CA  ALA    16      10.572   2.385  -4.088          0.000
-ATOM     31  CB  ALA    16      10.928   2.163  -3.475          0.001
-ATOM     32  CA  ALA    17      10.229   5.965  -5.314          0.000
-ATOM     33  CB  ALA    17      10.486   6.163  -5.982          0.000
-ATOM     34  CA  GLY    18       6.811   7.423  -4.506          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.17                                       ENERGY     6.81017E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.183  -0.603  -0.086          0.001
-ATOM      2  CA  ALA     2       3.863   0.261   0.378          0.003
-ATOM      3  CB  ALA     2       3.935   0.726   0.954          0.002
-ATOM      4  CA  ALA     3       6.733  -2.176  -0.168          0.017
-ATOM      5  CB  ALA     3       6.981  -2.665  -0.679          0.032
-ATOM      6  CA  ALA     4      10.393  -1.209  -0.042          0.004
-ATOM      7  CB  ALA     4      10.528  -0.844   0.556          0.007
-ATOM      8  CA  CYS     5      12.601  -4.163  -0.882          0.042
-ATOM      9  CB  CYS     5      12.310  -4.651  -1.942          0.006
-ATOM     10  CA  ALA     6      16.095  -5.622  -1.395          0.030
-ATOM     11  CB  ALA     6      16.947  -5.457  -1.396          0.087
-ATOM     12  CA  ALA     7      14.943  -7.652   1.624          0.078
-ATOM     13  CB  ALA     7      14.902  -7.711  -4.332          0.674
-ATOM     14  CA  ALA     8      14.253 -10.294  -1.133          0.046
-ATOM     15  CB  ALA     8      14.589 -10.732  -1.895          0.223
-ATOM     16  CA  ALA     9      13.787 -13.940  -2.316          0.009
-ATOM     17  CB  ALA     9      14.199 -14.404  -1.789          0.056
-ATOM     18  CA  ALA    10      10.044 -13.394  -2.523          0.001
-ATOM     19  CB  ALA    10      10.021 -12.626  -2.384          0.016
-ATOM     20  CA  ALA    11       8.620 -13.979  -5.985          0.000
-ATOM     21  CB  ALA    11       8.281 -14.596  -6.218          0.002
-ATOM     22  CA  ALA    12       7.816 -10.284  -6.406          0.001
-ATOM     23  CB  ALA    12       7.464  -9.824  -5.942          0.005
-ATOM     24  CA  ALA    13      10.021  -7.414  -7.563          0.001
-ATOM     25  CB  ALA    13      10.098  -7.392  -8.302          0.001
-ATOM     26  CA  CYS    14       9.820  -4.106  -5.698          0.001
-ATOM     27  CB  CYS    14      10.173  -4.121  -4.508          0.001
-ATOM     28  CA  ALA    15      10.944  -0.555  -6.465          0.001
-ATOM     29  CB  ALA    15      10.771  -0.388  -7.166          0.001
-ATOM     30  CA  ALA    16      10.572   2.385  -4.088          0.000
-ATOM     31  CB  ALA    16      10.928   2.163  -3.475          0.002
-ATOM     32  CA  ALA    17      10.229   5.965  -5.314          0.000
-ATOM     33  CB  ALA    17      10.486   6.163  -5.982          0.000
-ATOM     34  CA  GLY    18       6.811   7.423  -4.506          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.19                                       ENERGY     6.80771E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.183  -0.603  -0.086          0.001
-ATOM      2  CA  ALA     2       3.864   0.260   0.378          0.002
-ATOM      3  CB  ALA     2       3.936   0.726   0.954          0.002
-ATOM      4  CA  ALA     3       6.734  -2.174  -0.168          0.016
-ATOM      5  CB  ALA     3       6.978  -2.666  -0.680          0.029
-ATOM      6  CA  ALA     4      10.394  -1.207  -0.042          0.004
-ATOM      7  CB  ALA     4      10.528  -0.842   0.556          0.007
-ATOM      8  CA  CYS     5      12.598  -4.166  -0.883          0.035
-ATOM      9  CB  CYS     5      12.309  -4.651  -1.942          0.006
-ATOM     10  CA  ALA     6      16.101  -5.622  -1.388          0.011
-ATOM     11  CB  ALA     6      16.947  -5.453  -1.392          0.074
-ATOM     12  CA  ALA     7      14.941  -7.650   1.611          0.052
-ATOM     13  CB  ALA     7      14.903  -7.701  -4.345          0.935
-ATOM     14  CA  ALA     8      14.251 -10.302  -1.128          0.036
-ATOM     15  CB  ALA     8      14.589 -10.740  -1.890          0.190
-ATOM     16  CA  ALA     9      13.788 -13.937  -2.313          0.011
-ATOM     17  CB  ALA     9      14.201 -14.407  -1.787          0.047
-ATOM     18  CA  ALA    10      10.044 -13.394  -2.524          0.001
-ATOM     19  CB  ALA    10      10.020 -12.624  -2.383          0.013
-ATOM     20  CA  ALA    11       8.620 -13.979  -5.985          0.000
-ATOM     21  CB  ALA    11       8.280 -14.595  -6.219          0.002
-ATOM     22  CA  ALA    12       7.817 -10.284  -6.405          0.001
-ATOM     23  CB  ALA    12       7.465  -9.825  -5.942          0.004
-ATOM     24  CA  ALA    13      10.021  -7.414  -7.563          0.001
-ATOM     25  CB  ALA    13      10.097  -7.392  -8.301          0.001
-ATOM     26  CA  CYS    14       9.819  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.173  -4.120  -4.508          0.001
-ATOM     28  CA  ALA    15      10.945  -0.556  -6.465          0.001
-ATOM     29  CB  ALA    15      10.772  -0.388  -7.166          0.001
-ATOM     30  CA  ALA    16      10.571   2.384  -4.088          0.000
-ATOM     31  CB  ALA    16      10.927   2.163  -3.475          0.001
-ATOM     32  CA  ALA    17      10.229   5.965  -5.314          0.000
-ATOM     33  CB  ALA    17      10.485   6.163  -5.982          0.000
-ATOM     34  CA  GLY    18       6.812   7.423  -4.507          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.20                                       ENERGY     6.80922E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.603  -0.086          0.001
-ATOM      2  CA  ALA     2       3.864   0.260   0.378          0.003
-ATOM      3  CB  ALA     2       3.936   0.725   0.954          0.002
-ATOM      4  CA  ALA     3       6.735  -2.173  -0.168          0.017
-ATOM      5  CB  ALA     3       6.977  -2.667  -0.681          0.031
-ATOM      6  CA  ALA     4      10.394  -1.206  -0.042          0.004
-ATOM      7  CB  ALA     4      10.528  -0.841   0.556          0.008
-ATOM      8  CA  CYS     5      12.597  -4.168  -0.884          0.045
-ATOM      9  CB  CYS     5      12.308  -4.651  -1.942          0.006
-ATOM     10  CA  ALA     6      16.103  -5.623  -1.385          0.041
-ATOM     11  CB  ALA     6      16.948  -5.452  -1.390          0.083
-ATOM     12  CA  ALA     7      14.940  -7.650   1.606          0.111
-ATOM     13  CB  ALA     7      14.904  -7.697  -4.350          0.568
-ATOM     14  CA  ALA     8      14.250 -10.304  -1.127          0.047
-ATOM     15  CB  ALA     8      14.590 -10.743  -1.888          0.205
-ATOM     16  CA  ALA     9      13.788 -13.936  -2.312          0.011
-ATOM     17  CB  ALA     9      14.202 -14.409  -1.786          0.046
-ATOM     18  CA  ALA    10      10.044 -13.393  -2.524          0.001
-ATOM     19  CB  ALA    10      10.020 -12.623  -2.383          0.013
-ATOM     20  CA  ALA    11       8.620 -13.979  -5.985          0.000
-ATOM     21  CB  ALA    11       8.280 -14.595  -6.219          0.002
-ATOM     22  CA  ALA    12       7.817 -10.284  -6.405          0.001
-ATOM     23  CB  ALA    12       7.465  -9.826  -5.941          0.005
-ATOM     24  CA  ALA    13      10.022  -7.414  -7.562          0.001
-ATOM     25  CB  ALA    13      10.097  -7.392  -8.301          0.001
-ATOM     26  CA  CYS    14       9.818  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.173  -4.120  -4.508          0.001
-ATOM     28  CA  ALA    15      10.945  -0.556  -6.465          0.001
-ATOM     29  CB  ALA    15      10.772  -0.387  -7.166          0.001
-ATOM     30  CA  ALA    16      10.571   2.384  -4.088          0.000
-ATOM     31  CB  ALA    16      10.927   2.164  -3.475          0.001
-ATOM     32  CA  ALA    17      10.229   5.965  -5.314          0.000
-ATOM     33  CB  ALA    17      10.485   6.163  -5.982          0.000
-ATOM     34  CA  GLY    18       6.812   7.423  -4.507          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.22                                       ENERGY     6.80176E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.085          0.001
-ATOM      2  CA  ALA     2       3.864   0.259   0.378          0.002
-ATOM      3  CB  ALA     2       3.937   0.725   0.954          0.002
-ATOM      4  CA  ALA     3       6.736  -2.172  -0.169          0.016
-ATOM      5  CB  ALA     3       6.974  -2.668  -0.682          0.030
-ATOM      6  CA  ALA     4      10.395  -1.203  -0.041          0.003
-ATOM      7  CB  ALA     4      10.528  -0.840   0.556          0.009
-ATOM      8  CA  CYS     5      12.594  -4.171  -0.885          0.039
-ATOM      9  CB  CYS     5      12.307  -4.651  -1.942          0.006
-ATOM     10  CA  ALA     6      16.110  -5.623  -1.378          0.016
-ATOM     11  CB  ALA     6      16.947  -5.448  -1.386          0.076
-ATOM     12  CA  ALA     7      14.937  -7.650   1.593          0.077
-ATOM     13  CB  ALA     7      14.905  -7.687  -4.360          0.840
-ATOM     14  CA  ALA     8      14.249 -10.312  -1.123          0.039
-ATOM     15  CB  ALA     8      14.590 -10.749  -1.882          0.188
-ATOM     16  CA  ALA     9      13.789 -13.933  -2.309          0.013
-ATOM     17  CB  ALA     9      14.204 -14.411  -1.784          0.040
-ATOM     18  CA  ALA    10      10.044 -13.393  -2.525          0.001
-ATOM     19  CB  ALA    10      10.019 -12.621  -2.382          0.011
-ATOM     20  CA  ALA    11       8.619 -13.980  -5.985          0.000
-ATOM     21  CB  ALA    11       8.279 -14.595  -6.219          0.002
-ATOM     22  CA  ALA    12       7.817 -10.285  -6.405          0.001
-ATOM     23  CB  ALA    12       7.466  -9.827  -5.941          0.005
-ATOM     24  CA  ALA    13      10.022  -7.414  -7.562          0.001
-ATOM     25  CB  ALA    13      10.097  -7.392  -8.300          0.001
-ATOM     26  CA  CYS    14       9.817  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.173  -4.119  -4.508          0.001
-ATOM     28  CA  ALA    15      10.945  -0.556  -6.465          0.001
-ATOM     29  CB  ALA    15      10.772  -0.387  -7.166          0.001
-ATOM     30  CA  ALA    16      10.571   2.383  -4.088          0.000
-ATOM     31  CB  ALA    16      10.927   2.164  -3.474          0.001
-ATOM     32  CA  ALA    17      10.230   5.964  -5.313          0.000
-ATOM     33  CB  ALA    17      10.485   6.163  -5.982          0.000
-ATOM     34  CA  GLY    18       6.812   7.424  -4.507          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.23                                       ENERGY     6.80051E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.085          0.001
-ATOM      2  CA  ALA     2       3.864   0.259   0.378          0.002
-ATOM      3  CB  ALA     2       3.937   0.725   0.954          0.002
-ATOM      4  CA  ALA     3       6.736  -2.171  -0.169          0.016
-ATOM      5  CB  ALA     3       6.973  -2.668  -0.682          0.030
-ATOM      6  CA  ALA     4      10.396  -1.202  -0.041          0.003
-ATOM      7  CB  ALA     4      10.528  -0.839   0.556          0.009
-ATOM      8  CA  CYS     5      12.593  -4.173  -0.886          0.047
-ATOM      9  CB  CYS     5      12.306  -4.651  -1.942          0.006
-ATOM     10  CA  ALA     6      16.112  -5.623  -1.375          0.051
-ATOM     11  CB  ALA     6      16.947  -5.447  -1.384          0.081
-ATOM     12  CA  ALA     7      14.936  -7.649   1.588          0.143
-ATOM     13  CB  ALA     7      14.905  -7.683  -4.365          0.473
-ATOM     14  CA  ALA     8      14.249 -10.315  -1.122          0.047
-ATOM     15  CB  ALA     8      14.590 -10.751  -1.880          0.194
-ATOM     16  CA  ALA     9      13.789 -13.932  -2.308          0.013
-ATOM     17  CB  ALA     9      14.204 -14.412  -1.783          0.037
-ATOM     18  CA  ALA    10      10.044 -13.392  -2.526          0.001
-ATOM     19  CB  ALA    10      10.018 -12.621  -2.381          0.010
-ATOM     20  CA  ALA    11       8.619 -13.980  -5.985          0.000
-ATOM     21  CB  ALA    11       8.279 -14.594  -6.219          0.002
-ATOM     22  CA  ALA    12       7.817 -10.285  -6.405          0.001
-ATOM     23  CB  ALA    12       7.466  -9.827  -5.941          0.004
-ATOM     24  CA  ALA    13      10.022  -7.414  -7.561          0.001
-ATOM     25  CB  ALA    13      10.097  -7.392  -8.300          0.001
-ATOM     26  CA  CYS    14       9.816  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.173  -4.119  -4.508          0.001
-ATOM     28  CA  ALA    15      10.945  -0.557  -6.465          0.001
-ATOM     29  CB  ALA    15      10.772  -0.387  -7.166          0.001
-ATOM     30  CA  ALA    16      10.570   2.383  -4.088          0.000
-ATOM     31  CB  ALA    16      10.926   2.164  -3.474          0.001
-ATOM     32  CA  ALA    17      10.230   5.964  -5.313          0.000
-ATOM     33  CB  ALA    17      10.485   6.163  -5.982          0.000
-ATOM     34  CA  GLY    18       6.813   7.424  -4.507          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.25                                       ENERGY     6.78858E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.084          0.001
-ATOM      2  CA  ALA     2       3.864   0.258   0.378          0.002
-ATOM      3  CB  ALA     2       3.938   0.725   0.954          0.002
-ATOM      4  CA  ALA     3       6.738  -2.169  -0.170          0.016
-ATOM      5  CB  ALA     3       6.970  -2.669  -0.683          0.030
-ATOM      6  CA  ALA     4      10.396  -1.200  -0.041          0.003
-ATOM      7  CB  ALA     4      10.528  -0.837   0.556          0.010
-ATOM      8  CA  CYS     5      12.591  -4.176  -0.887          0.042
-ATOM      9  CB  CYS     5      12.305  -4.651  -1.943          0.006
-ATOM     10  CA  ALA     6      16.118  -5.622  -1.368          0.022
-ATOM     11  CB  ALA     6      16.947  -5.444  -1.381          0.079
-ATOM     12  CA  ALA     7      14.934  -7.649   1.575          0.106
-ATOM     13  CB  ALA     7      14.907  -7.674  -4.374          0.726
-ATOM     14  CA  ALA     8      14.248 -10.322  -1.119          0.043
-ATOM     15  CB  ALA     8      14.590 -10.756  -1.874          0.190
-ATOM     16  CA  ALA     9      13.790 -13.930  -2.305          0.015
-ATOM     17  CB  ALA     9      14.206 -14.415  -1.781          0.034
-ATOM     18  CA  ALA    10      10.044 -13.391  -2.527          0.002
-ATOM     19  CB  ALA    10      10.017 -12.620  -2.381          0.009
-ATOM     20  CA  ALA    11       8.619 -13.981  -5.985          0.001
-ATOM     21  CB  ALA    11       8.279 -14.594  -6.219          0.002
-ATOM     22  CA  ALA    12       7.818 -10.285  -6.405          0.001
-ATOM     23  CB  ALA    12       7.467  -9.828  -5.940          0.005
-ATOM     24  CA  ALA    13      10.023  -7.414  -7.561          0.001
-ATOM     25  CB  ALA    13      10.097  -7.392  -8.299          0.001
-ATOM     26  CA  CYS    14       9.815  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.173  -4.118  -4.509          0.001
-ATOM     28  CA  ALA    15      10.945  -0.557  -6.466          0.001
-ATOM     29  CB  ALA    15      10.772  -0.386  -7.166          0.001
-ATOM     30  CA  ALA    16      10.570   2.383  -4.088          0.000
-ATOM     31  CB  ALA    16      10.926   2.165  -3.474          0.002
-ATOM     32  CA  ALA    17      10.230   5.964  -5.313          0.000
-ATOM     33  CB  ALA    17      10.485   6.163  -5.982          0.000
-ATOM     34  CA  GLY    18       6.813   7.424  -4.507          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.25                                       ENERGY     6.78459E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.084          0.001
-ATOM      2  CA  ALA     2       3.864   0.258   0.378          0.002
-ATOM      3  CB  ALA     2       3.938   0.725   0.954          0.002
-ATOM      4  CA  ALA     3       6.738  -2.169  -0.170          0.015
-ATOM      5  CB  ALA     3       6.969  -2.669  -0.684          0.028
-ATOM      6  CA  ALA     4      10.397  -1.199  -0.041          0.003
-ATOM      7  CB  ALA     4      10.528  -0.836   0.556          0.009
-ATOM      8  CA  CYS     5      12.590  -4.178  -0.887          0.047
-ATOM      9  CB  CYS     5      12.304  -4.651  -1.943          0.005
-ATOM     10  CA  ALA     6      16.121  -5.622  -1.365          0.062
-ATOM     11  CB  ALA     6      16.946  -5.442  -1.379          0.079
-ATOM     12  CA  ALA     7      14.932  -7.650   1.570          0.172
-ATOM     13  CB  ALA     7      14.907  -7.670  -4.377          0.377
-ATOM     14  CA  ALA     8      14.248 -10.325  -1.118          0.048
-ATOM     15  CB  ALA     8      14.590 -10.758  -1.871          0.186
-ATOM     16  CA  ALA     9      13.791 -13.929  -2.303          0.014
-ATOM     17  CB  ALA     9      14.206 -14.416  -1.780          0.029
-ATOM     18  CA  ALA    10      10.044 -13.391  -2.527          0.001
-ATOM     19  CB  ALA    10      10.017 -12.619  -2.380          0.008
-ATOM     20  CA  ALA    11       8.618 -13.981  -5.985          0.000
-ATOM     21  CB  ALA    11       8.278 -14.594  -6.219          0.002
-ATOM     22  CA  ALA    12       7.818 -10.285  -6.405          0.001
-ATOM     23  CB  ALA    12       7.467  -9.828  -5.940          0.004
-ATOM     24  CA  ALA    13      10.023  -7.414  -7.561          0.001
-ATOM     25  CB  ALA    13      10.097  -7.393  -8.299          0.001
-ATOM     26  CA  CYS    14       9.814  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.173  -4.118  -4.509          0.001
-ATOM     28  CA  ALA    15      10.945  -0.557  -6.466          0.001
-ATOM     29  CB  ALA    15      10.773  -0.386  -7.166          0.001
-ATOM     30  CA  ALA    16      10.570   2.383  -4.088          0.000
-ATOM     31  CB  ALA    16      10.926   2.165  -3.474          0.001
-ATOM     32  CA  ALA    17      10.230   5.964  -5.313          0.000
-ATOM     33  CB  ALA    17      10.485   6.163  -5.982          0.000
-ATOM     34  CA  GLY    18       6.813   7.424  -4.508          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.27                                       ENERGY     6.76803E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.083          0.001
-ATOM      2  CA  ALA     2       3.864   0.257   0.378          0.002
-ATOM      3  CB  ALA     2       3.939   0.724   0.954          0.002
-ATOM      4  CA  ALA     3       6.739  -2.167  -0.171          0.016
-ATOM      5  CB  ALA     3       6.967  -2.670  -0.685          0.030
-ATOM      6  CA  ALA     4      10.398  -1.196  -0.041          0.003
-ATOM      7  CB  ALA     4      10.529  -0.835   0.557          0.011
-ATOM      8  CA  CYS     5      12.588  -4.181  -0.888          0.045
-ATOM      9  CB  CYS     5      12.303  -4.651  -1.943          0.006
-ATOM     10  CA  ALA     6      16.127  -5.621  -1.359          0.028
-ATOM     11  CB  ALA     6      16.945  -5.439  -1.376          0.082
-ATOM     12  CA  ALA     7      14.929  -7.650   1.556          0.134
-ATOM     13  CB  ALA     7      14.908  -7.661  -4.385          0.617
-ATOM     14  CA  ALA     8      14.248 -10.332  -1.116          0.046
-ATOM     15  CB  ALA     8      14.590 -10.762  -1.865          0.195
-ATOM     16  CA  ALA     9      13.791 -13.927  -2.300          0.017
-ATOM     17  CB  ALA     9      14.207 -14.418  -1.779          0.027
-ATOM     18  CA  ALA    10      10.044 -13.390  -2.528          0.002
-ATOM     19  CB  ALA    10      10.016 -12.618  -2.380          0.008
-ATOM     20  CA  ALA    11       8.618 -13.982  -5.986          0.001
-ATOM     21  CB  ALA    11       8.278 -14.593  -6.220          0.002
-ATOM     22  CA  ALA    12       7.818 -10.285  -6.405          0.001
-ATOM     23  CB  ALA    12       7.467  -9.829  -5.939          0.005
-ATOM     24  CA  ALA    13      10.024  -7.414  -7.560          0.001
-ATOM     25  CB  ALA    13      10.097  -7.393  -8.298          0.002
-ATOM     26  CA  CYS    14       9.813  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.173  -4.117  -4.509          0.002
-ATOM     28  CA  ALA    15      10.946  -0.558  -6.466          0.001
-ATOM     29  CB  ALA    15      10.773  -0.386  -7.166          0.001
-ATOM     30  CA  ALA    16      10.569   2.382  -4.089          0.000
-ATOM     31  CB  ALA    16      10.925   2.165  -3.474          0.002
-ATOM     32  CA  ALA    17      10.231   5.964  -5.313          0.000
-ATOM     33  CB  ALA    17      10.484   6.163  -5.982          0.000
-ATOM     34  CA  GLY    18       6.813   7.424  -4.508          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.28                                       ENERGY     6.76398E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.083          0.001
-ATOM      2  CA  ALA     2       3.864   0.257   0.378          0.002
-ATOM      3  CB  ALA     2       3.939   0.724   0.954          0.002
-ATOM      4  CA  ALA     3       6.739  -2.167  -0.171          0.014
-ATOM      5  CB  ALA     3       6.966  -2.671  -0.685          0.028
-ATOM      6  CA  ALA     4      10.398  -1.195  -0.041          0.003
-ATOM      7  CB  ALA     4      10.529  -0.834   0.557          0.010
-ATOM      8  CA  CYS     5      12.588  -4.182  -0.888          0.047
-ATOM      9  CB  CYS     5      12.302  -4.651  -1.943          0.005
-ATOM     10  CA  ALA     6      16.129  -5.621  -1.357          0.061
-ATOM     11  CB  ALA     6      16.945  -5.438  -1.374          0.080
-ATOM     12  CA  ALA     7      14.928  -7.650   1.552          0.185
-ATOM     13  CB  ALA     7      14.908  -7.659  -4.388          0.351
-ATOM     14  CA  ALA     8      14.248 -10.334  -1.116          0.049
-ATOM     15  CB  ALA     8      14.590 -10.763  -1.863          0.189
-ATOM     16  CA  ALA     9      13.792 -13.926  -2.298          0.015
-ATOM     17  CB  ALA     9      14.208 -14.419  -1.779          0.023
-ATOM     18  CA  ALA    10      10.044 -13.389  -2.528          0.002
-ATOM     19  CB  ALA    10      10.016 -12.618  -2.380          0.007
-ATOM     20  CA  ALA    11       8.618 -13.982  -5.986          0.001
-ATOM     21  CB  ALA    11       8.278 -14.593  -6.220          0.002
-ATOM     22  CA  ALA    12       7.819 -10.285  -6.405          0.001
-ATOM     23  CB  ALA    12       7.468  -9.829  -5.939          0.004
-ATOM     24  CA  ALA    13      10.024  -7.414  -7.560          0.001
-ATOM     25  CB  ALA    13      10.097  -7.393  -8.298          0.001
-ATOM     26  CA  CYS    14       9.812  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.172  -4.117  -4.509          0.001
-ATOM     28  CA  ALA    15      10.946  -0.558  -6.466          0.001
-ATOM     29  CB  ALA    15      10.773  -0.386  -7.166          0.001
-ATOM     30  CA  ALA    16      10.569   2.382  -4.089          0.000
-ATOM     31  CB  ALA    16      10.925   2.165  -3.474          0.001
-ATOM     32  CA  ALA    17      10.231   5.963  -5.313          0.000
-ATOM     33  CB  ALA    17      10.484   6.163  -5.982          0.000
-ATOM     34  CA  GLY    18       6.814   7.424  -4.508          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.28                                       ENERGY     6.75804E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.083          0.001
-ATOM      2  CA  ALA     2       3.864   0.257   0.378          0.001
-ATOM      3  CB  ALA     2       3.939   0.724   0.954          0.002
-ATOM      4  CA  ALA     3       6.739  -2.167  -0.171          0.012
-ATOM      5  CB  ALA     3       6.965  -2.671  -0.685          0.024
-ATOM      6  CA  ALA     4      10.398  -1.195  -0.041          0.002
-ATOM      7  CB  ALA     4      10.529  -0.834   0.557          0.009
-ATOM      8  CA  CYS     5      12.587  -4.183  -0.888          0.045
-ATOM      9  CB  CYS     5      12.302  -4.651  -1.943          0.005
-ATOM     10  CA  ALA     6      16.130  -5.621  -1.356          0.083
-ATOM     11  CB  ALA     6      16.945  -5.437  -1.374          0.073
-ATOM     12  CA  ALA     7      14.928  -7.650   1.549          0.207
-ATOM     13  CB  ALA     7      14.909  -7.657  -4.389          0.234
-ATOM     14  CA  ALA     8      14.248 -10.335  -1.115          0.046
-ATOM     15  CB  ALA     8      14.590 -10.764  -1.861          0.172
-ATOM     16  CA  ALA     9      13.792 -13.926  -2.298          0.013
-ATOM     17  CB  ALA     9      14.208 -14.419  -1.778          0.019
-ATOM     18  CA  ALA    10      10.044 -13.389  -2.529          0.001
-ATOM     19  CB  ALA    10      10.015 -12.618  -2.379          0.006
-ATOM     20  CA  ALA    11       8.618 -13.982  -5.986          0.000
-ATOM     21  CB  ALA    11       8.278 -14.593  -6.220          0.002
-ATOM     22  CA  ALA    12       7.819 -10.285  -6.405          0.001
-ATOM     23  CB  ALA    12       7.468  -9.829  -5.939          0.004
-ATOM     24  CA  ALA    13      10.024  -7.414  -7.560          0.001
-ATOM     25  CB  ALA    13      10.097  -7.393  -8.298          0.001
-ATOM     26  CA  CYS    14       9.812  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.172  -4.117  -4.509          0.001
-ATOM     28  CA  ALA    15      10.946  -0.558  -6.466          0.001
-ATOM     29  CB  ALA    15      10.773  -0.386  -7.166          0.001
-ATOM     30  CA  ALA    16      10.569   2.382  -4.089          0.000
-ATOM     31  CB  ALA    16      10.925   2.165  -3.474          0.001
-ATOM     32  CA  ALA    17      10.231   5.963  -5.313          0.000
-ATOM     33  CB  ALA    17      10.484   6.163  -5.982          0.000
-ATOM     34  CA  GLY    18       6.814   7.424  -4.508          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.30                                       ENERGY     6.73986E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.082          0.001
-ATOM      2  CA  ALA     2       3.864   0.257   0.378          0.001
-ATOM      3  CB  ALA     2       3.940   0.724   0.954          0.002
-ATOM      4  CA  ALA     3       6.740  -2.165  -0.172          0.015
-ATOM      5  CB  ALA     3       6.963  -2.671  -0.686          0.029
-ATOM      6  CA  ALA     4      10.399  -1.193  -0.041          0.003
-ATOM      7  CB  ALA     4      10.529  -0.832   0.557          0.012
-ATOM      8  CA  CYS     5      12.586  -4.186  -0.889          0.047
-ATOM      9  CB  CYS     5      12.301  -4.651  -1.943          0.006
-ATOM     10  CA  ALA     6      16.136  -5.619  -1.350          0.041
-ATOM     11  CB  ALA     6      16.943  -5.435  -1.370          0.085
-ATOM     12  CA  ALA     7      14.925  -7.651   1.536          0.169
-ATOM     13  CB  ALA     7      14.909  -7.650  -4.394          0.459
-ATOM     14  CA  ALA     8      14.249 -10.342  -1.114          0.050
-ATOM     15  CB  ALA     8      14.590 -10.767  -1.855          0.203
-ATOM     16  CA  ALA     9      13.793 -13.924  -2.294          0.018
-ATOM     17  CB  ALA     9      14.209 -14.421  -1.777          0.021
-ATOM     18  CA  ALA    10      10.044 -13.388  -2.529          0.002
-ATOM     19  CB  ALA    10      10.015 -12.617  -2.379          0.006
-ATOM     20  CA  ALA    11       8.618 -13.982  -5.986          0.001
-ATOM     21  CB  ALA    11       8.277 -14.592  -6.220          0.002
-ATOM     22  CA  ALA    12       7.819 -10.286  -6.405          0.001
-ATOM     23  CB  ALA    12       7.468  -9.830  -5.938          0.005
-ATOM     24  CA  ALA    13      10.025  -7.414  -7.559          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.298          0.001
-ATOM     26  CA  CYS    14       9.811  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.172  -4.117  -4.509          0.002
-ATOM     28  CA  ALA    15      10.946  -0.559  -6.466          0.001
-ATOM     29  CB  ALA    15      10.773  -0.385  -7.166          0.001
-ATOM     30  CA  ALA    16      10.569   2.381  -4.089          0.000
-ATOM     31  CB  ALA    16      10.925   2.166  -3.474          0.002
-ATOM     32  CA  ALA    17      10.231   5.963  -5.313          0.000
-ATOM     33  CB  ALA    17      10.484   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.814   7.424  -4.508          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.30                                       ENERGY     6.73598E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.082          0.001
-ATOM      2  CA  ALA     2       3.864   0.257   0.378          0.001
-ATOM      3  CB  ALA     2       3.940   0.724   0.954          0.002
-ATOM      4  CA  ALA     3       6.740  -2.165  -0.172          0.014
-ATOM      5  CB  ALA     3       6.962  -2.672  -0.686          0.027
-ATOM      6  CA  ALA     4      10.399  -1.192  -0.041          0.002
-ATOM      7  CB  ALA     4      10.529  -0.832   0.557          0.011
-ATOM      8  CA  CYS     5      12.585  -4.187  -0.889          0.047
-ATOM      9  CB  CYS     5      12.301  -4.651  -1.943          0.005
-ATOM     10  CA  ALA     6      16.138  -5.619  -1.349          0.064
-ATOM     11  CB  ALA     6      16.943  -5.434  -1.370          0.081
-ATOM     12  CA  ALA     7      14.924  -7.652   1.533          0.200
-ATOM     13  CB  ALA     7      14.910  -7.648  -4.396          0.303
-ATOM     14  CA  ALA     8      14.249 -10.343  -1.114          0.050
-ATOM     15  CB  ALA     8      14.590 -10.767  -1.854          0.195
-ATOM     16  CA  ALA     9      13.793 -13.924  -2.293          0.016
-ATOM     17  CB  ALA     9      14.209 -14.421  -1.777          0.018
-ATOM     18  CA  ALA    10      10.044 -13.387  -2.530          0.002
-ATOM     19  CB  ALA    10      10.014 -12.617  -2.379          0.005
-ATOM     20  CA  ALA    11       8.617 -13.982  -5.986          0.001
-ATOM     21  CB  ALA    11       8.277 -14.592  -6.220          0.002
-ATOM     22  CA  ALA    12       7.819 -10.286  -6.405          0.001
-ATOM     23  CB  ALA    12       7.468  -9.830  -5.938          0.004
-ATOM     24  CA  ALA    13      10.025  -7.414  -7.559          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.297          0.001
-ATOM     26  CA  CYS    14       9.811  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.172  -4.116  -4.509          0.001
-ATOM     28  CA  ALA    15      10.946  -0.559  -6.466          0.001
-ATOM     29  CB  ALA    15      10.773  -0.385  -7.166          0.001
-ATOM     30  CA  ALA    16      10.569   2.381  -4.089          0.000
-ATOM     31  CB  ALA    16      10.924   2.166  -3.474          0.001
-ATOM     32  CA  ALA    17      10.231   5.963  -5.313          0.000
-ATOM     33  CB  ALA    17      10.484   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.814   7.424  -4.508          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.30                                       ENERGY     6.72980E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.082          0.001
-ATOM      2  CA  ALA     2       3.864   0.256   0.378          0.001
-ATOM      3  CB  ALA     2       3.940   0.724   0.954          0.002
-ATOM      4  CA  ALA     3       6.741  -2.165  -0.172          0.012
-ATOM      5  CB  ALA     3       6.962  -2.672  -0.686          0.023
-ATOM      6  CA  ALA     4      10.399  -1.192  -0.041          0.002
-ATOM      7  CB  ALA     4      10.529  -0.831   0.557          0.010
-ATOM      8  CA  CYS     5      12.585  -4.188  -0.889          0.044
-ATOM      9  CB  CYS     5      12.301  -4.651  -1.943          0.005
-ATOM     10  CA  ALA     6      16.139  -5.619  -1.348          0.084
-ATOM     11  CB  ALA     6      16.942  -5.433  -1.369          0.073
-ATOM     12  CA  ALA     7      14.923  -7.652   1.530          0.219
-ATOM     13  CB  ALA     7      14.910  -7.646  -4.396          0.200
-ATOM     14  CA  ALA     8      14.249 -10.345  -1.113          0.047
-ATOM     15  CB  ALA     8      14.590 -10.768  -1.852          0.176
-ATOM     16  CA  ALA     9      13.793 -13.924  -2.292          0.013
-ATOM     17  CB  ALA     9      14.209 -14.422  -1.777          0.015
-ATOM     18  CA  ALA    10      10.044 -13.387  -2.530          0.002
-ATOM     19  CB  ALA    10      10.014 -12.617  -2.379          0.005
-ATOM     20  CA  ALA    11       8.617 -13.983  -5.986          0.001
-ATOM     21  CB  ALA    11       8.277 -14.592  -6.220          0.002
-ATOM     22  CA  ALA    12       7.819 -10.286  -6.405          0.001
-ATOM     23  CB  ALA    12       7.468  -9.831  -5.938          0.004
-ATOM     24  CA  ALA    13      10.025  -7.415  -7.559          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.297          0.001
-ATOM     26  CA  CYS    14       9.810  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.172  -4.116  -4.509          0.001
-ATOM     28  CA  ALA    15      10.946  -0.559  -6.466          0.001
-ATOM     29  CB  ALA    15      10.773  -0.385  -7.166          0.001
-ATOM     30  CA  ALA    16      10.569   2.381  -4.089          0.000
-ATOM     31  CB  ALA    16      10.924   2.166  -3.474          0.001
-ATOM     32  CA  ALA    17      10.231   5.963  -5.312          0.000
-ATOM     33  CB  ALA    17      10.484   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.814   7.424  -4.508          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.32                                       ENERGY     6.70828E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.081          0.001
-ATOM      2  CA  ALA     2       3.864   0.256   0.378          0.001
-ATOM      3  CB  ALA     2       3.941   0.724   0.954          0.002
-ATOM      4  CA  ALA     3       6.741  -2.164  -0.173          0.014
-ATOM      5  CB  ALA     3       6.960  -2.672  -0.687          0.028
-ATOM      6  CA  ALA     4      10.400  -1.190  -0.041          0.002
-ATOM      7  CB  ALA     4      10.529  -0.830   0.557          0.013
-ATOM      8  CA  CYS     5      12.584  -4.190  -0.890          0.044
-ATOM      9  CB  CYS     5      12.300  -4.651  -1.944          0.005
-ATOM     10  CA  ALA     6      16.144  -5.617  -1.343          0.034
-ATOM     11  CB  ALA     6      16.941  -5.431  -1.366          0.083
-ATOM     12  CA  ALA     7      14.920  -7.653   1.519          0.163
-ATOM     13  CB  ALA     7      14.910  -7.641  -4.399          0.443
-ATOM     14  CA  ALA     8      14.250 -10.349  -1.113          0.050
-ATOM     15  CB  ALA     8      14.589 -10.769  -1.847          0.205
-ATOM     16  CA  ALA     9      13.794 -13.923  -2.289          0.018
-ATOM     17  CB  ALA     9      14.210 -14.423  -1.776          0.017
-ATOM     18  CA  ALA    10      10.043 -13.386  -2.530          0.002
-ATOM     19  CB  ALA    10      10.013 -12.616  -2.378          0.005
-ATOM     20  CA  ALA    11       8.617 -13.983  -5.986          0.001
-ATOM     21  CB  ALA    11       8.276 -14.592  -6.220          0.002
-ATOM     22  CA  ALA    12       7.819 -10.286  -6.405          0.001
-ATOM     23  CB  ALA    12       7.469  -9.831  -5.938          0.004
-ATOM     24  CA  ALA    13      10.025  -7.415  -7.558          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.297          0.001
-ATOM     26  CA  CYS    14       9.809  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.172  -4.116  -4.509          0.002
-ATOM     28  CA  ALA    15      10.946  -0.559  -6.466          0.001
-ATOM     29  CB  ALA    15      10.773  -0.385  -7.166          0.001
-ATOM     30  CA  ALA    16      10.568   2.381  -4.089          0.000
-ATOM     31  CB  ALA    16      10.924   2.166  -3.473          0.001
-ATOM     32  CA  ALA    17      10.232   5.963  -5.312          0.000
-ATOM     33  CB  ALA    17      10.483   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.814   7.424  -4.508          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.32                                       ENERGY     6.70483E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.081          0.001
-ATOM      2  CA  ALA     2       3.864   0.256   0.378          0.001
-ATOM      3  CB  ALA     2       3.941   0.724   0.954          0.002
-ATOM      4  CA  ALA     3       6.741  -2.163  -0.173          0.013
-ATOM      5  CB  ALA     3       6.959  -2.672  -0.687          0.027
-ATOM      6  CA  ALA     4      10.400  -1.190  -0.042          0.002
-ATOM      7  CB  ALA     4      10.529  -0.830   0.557          0.012
-ATOM      8  CA  CYS     5      12.584  -4.191  -0.890          0.047
-ATOM      9  CB  CYS     5      12.299  -4.651  -1.944          0.005
-ATOM     10  CA  ALA     6      16.145  -5.616  -1.342          0.059
-ATOM     11  CB  ALA     6      16.941  -5.430  -1.366          0.084
-ATOM     12  CA  ALA     7      14.919  -7.653   1.516          0.204
-ATOM     13  CB  ALA     7      14.911  -7.639  -4.401          0.297
-ATOM     14  CA  ALA     8      14.250 -10.351  -1.112          0.052
-ATOM     15  CB  ALA     8      14.589 -10.770  -1.845          0.208
-ATOM     16  CA  ALA     9      13.794 -13.923  -2.288          0.017
-ATOM     17  CB  ALA     9      14.210 -14.423  -1.776          0.015
-ATOM     18  CA  ALA    10      10.043 -13.386  -2.531          0.002
-ATOM     19  CB  ALA    10      10.013 -12.616  -2.378          0.005
-ATOM     20  CA  ALA    11       8.617 -13.983  -5.986          0.001
-ATOM     21  CB  ALA    11       8.276 -14.592  -6.220          0.002
-ATOM     22  CA  ALA    12       7.820 -10.286  -6.405          0.001
-ATOM     23  CB  ALA    12       7.469  -9.831  -5.937          0.004
-ATOM     24  CA  ALA    13      10.026  -7.415  -7.558          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.297          0.001
-ATOM     26  CA  CYS    14       9.809  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.172  -4.116  -4.509          0.001
-ATOM     28  CA  ALA    15      10.946  -0.560  -6.466          0.001
-ATOM     29  CB  ALA    15      10.773  -0.385  -7.166          0.001
-ATOM     30  CA  ALA    16      10.568   2.381  -4.089          0.000
-ATOM     31  CB  ALA    16      10.924   2.166  -3.473          0.001
-ATOM     32  CA  ALA    17      10.232   5.963  -5.312          0.000
-ATOM     33  CB  ALA    17      10.483   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.815   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.33                                       ENERGY     6.69925E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.081          0.001
-ATOM      2  CA  ALA     2       3.864   0.256   0.378          0.001
-ATOM      3  CB  ALA     2       3.941   0.724   0.954          0.002
-ATOM      4  CA  ALA     3       6.742  -2.163  -0.173          0.012
-ATOM      5  CB  ALA     3       6.958  -2.672  -0.687          0.024
-ATOM      6  CA  ALA     4      10.400  -1.189  -0.042          0.002
-ATOM      7  CB  ALA     4      10.529  -0.829   0.557          0.011
-ATOM      8  CA  CYS     5      12.584  -4.192  -0.890          0.045
-ATOM      9  CB  CYS     5      12.299  -4.651  -1.944          0.005
-ATOM     10  CA  ALA     6      16.147  -5.616  -1.341          0.080
-ATOM     11  CB  ALA     6      16.940  -5.430  -1.365          0.078
-ATOM     12  CA  ALA     7      14.919  -7.654   1.513          0.225
-ATOM     13  CB  ALA     7      14.911  -7.637  -4.402          0.196
-ATOM     14  CA  ALA     8      14.250 -10.353  -1.112          0.050
-ATOM     15  CB  ALA     8      14.589 -10.770  -1.843          0.192
-ATOM     16  CA  ALA     9      13.794 -13.922  -2.287          0.015
-ATOM     17  CB  ALA     9      14.210 -14.424  -1.775          0.013
-ATOM     18  CA  ALA    10      10.043 -13.385  -2.531          0.002
-ATOM     19  CB  ALA    10      10.013 -12.616  -2.378          0.004
-ATOM     20  CA  ALA    11       8.617 -13.983  -5.986          0.001
-ATOM     21  CB  ALA    11       8.276 -14.592  -6.220          0.002
-ATOM     22  CA  ALA    12       7.820 -10.286  -6.405          0.001
-ATOM     23  CB  ALA    12       7.469  -9.831  -5.937          0.004
-ATOM     24  CA  ALA    13      10.026  -7.415  -7.558          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.297          0.001
-ATOM     26  CA  CYS    14       9.809  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.172  -4.116  -4.509          0.001
-ATOM     28  CA  ALA    15      10.946  -0.560  -6.466          0.001
-ATOM     29  CB  ALA    15      10.773  -0.385  -7.166          0.001
-ATOM     30  CA  ALA    16      10.568   2.381  -4.089          0.000
-ATOM     31  CB  ALA    16      10.924   2.166  -3.473          0.001
-ATOM     32  CA  ALA    17      10.232   5.963  -5.312          0.000
-ATOM     33  CB  ALA    17      10.483   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.815   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.33                                       ENERGY     6.69150E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.081          0.001
-ATOM      2  CA  ALA     2       3.864   0.256   0.378          0.001
-ATOM      3  CB  ALA     2       3.941   0.724   0.954          0.001
-ATOM      4  CA  ALA     3       6.742  -2.163  -0.173          0.010
-ATOM      5  CB  ALA     3       6.958  -2.673  -0.687          0.020
-ATOM      6  CA  ALA     4      10.400  -1.189  -0.042          0.002
-ATOM      7  CB  ALA     4      10.529  -0.829   0.558          0.010
-ATOM      8  CA  CYS     5      12.583  -4.193  -0.890          0.042
-ATOM      9  CB  CYS     5      12.299  -4.651  -1.944          0.004
-ATOM     10  CA  ALA     6      16.148  -5.615  -1.339          0.098
-ATOM     11  CB  ALA     6      16.940  -5.429  -1.364          0.069
-ATOM     12  CA  ALA     7      14.918  -7.654   1.510          0.236
-ATOM     13  CB  ALA     7      14.911  -7.636  -4.402          0.140
-ATOM     14  CA  ALA     8      14.250 -10.354  -1.112          0.046
-ATOM     15  CB  ALA     8      14.589 -10.771  -1.842          0.170
-ATOM     16  CA  ALA     9      13.795 -13.922  -2.286          0.012
-ATOM     17  CB  ALA     9      14.210 -14.424  -1.775          0.010
-ATOM     18  CA  ALA    10      10.043 -13.385  -2.531          0.002
-ATOM     19  CB  ALA    10      10.013 -12.616  -2.378          0.003
-ATOM     20  CA  ALA    11       8.617 -13.983  -5.987          0.000
-ATOM     21  CB  ALA    11       8.276 -14.592  -6.220          0.001
-ATOM     22  CA  ALA    12       7.820 -10.286  -6.405          0.001
-ATOM     23  CB  ALA    12       7.469  -9.832  -5.937          0.003
-ATOM     24  CA  ALA    13      10.026  -7.415  -7.558          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.296          0.001
-ATOM     26  CA  CYS    14       9.808  -4.106  -5.697          0.001
-ATOM     27  CB  CYS    14      10.172  -4.115  -4.509          0.001
-ATOM     28  CA  ALA    15      10.946  -0.560  -6.466          0.001
-ATOM     29  CB  ALA    15      10.773  -0.385  -7.166          0.001
-ATOM     30  CA  ALA    16      10.568   2.381  -4.089          0.000
-ATOM     31  CB  ALA    16      10.924   2.167  -3.473          0.001
-ATOM     32  CA  ALA    17      10.232   5.963  -5.312          0.000
-ATOM     33  CB  ALA    17      10.483   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.815   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.34                                       ENERGY     6.66913E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.080          0.001
-ATOM      2  CA  ALA     2       3.864   0.255   0.378          0.001
-ATOM      3  CB  ALA     2       3.942   0.723   0.954          0.002
-ATOM      4  CA  ALA     3       6.742  -2.162  -0.173          0.013
-ATOM      5  CB  ALA     3       6.956  -2.673  -0.688          0.028
-ATOM      6  CA  ALA     4      10.401  -1.188  -0.042          0.003
-ATOM      7  CB  ALA     4      10.530  -0.828   0.558          0.014
-ATOM      8  CA  CYS     5      12.583  -4.195  -0.890          0.047
-ATOM      9  CB  CYS     5      12.298  -4.652  -1.944          0.005
-ATOM     10  CA  ALA     6      16.152  -5.614  -1.336          0.048
-ATOM     11  CB  ALA     6      16.938  -5.427  -1.362          0.089
-ATOM     12  CA  ALA     7      14.915  -7.655   1.499          0.197
-ATOM     13  CB  ALA     7      14.911  -7.631  -4.404          0.317
-ATOM     14  CA  ALA     8      14.251 -10.359  -1.112          0.055
-ATOM     15  CB  ALA     8      14.589 -10.772  -1.836          0.225
-ATOM     16  CA  ALA     9      13.795 -13.922  -2.283          0.019
-ATOM     17  CB  ALA     9      14.210 -14.425  -1.775          0.013
-ATOM     18  CA  ALA    10      10.043 -13.384  -2.532          0.003
-ATOM     19  CB  ALA    10      10.012 -12.616  -2.378          0.004
-ATOM     20  CA  ALA    11       8.616 -13.984  -5.987          0.001
-ATOM     21  CB  ALA    11       8.276 -14.591  -6.220          0.002
-ATOM     22  CA  ALA    12       7.820 -10.286  -6.405          0.001
-ATOM     23  CB  ALA    12       7.469  -9.832  -5.937          0.004
-ATOM     24  CA  ALA    13      10.026  -7.415  -7.558          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.296          0.001
-ATOM     26  CA  CYS    14       9.808  -4.106  -5.696          0.001
-ATOM     27  CB  CYS    14      10.172  -4.115  -4.510          0.002
-ATOM     28  CA  ALA    15      10.946  -0.560  -6.466          0.001
-ATOM     29  CB  ALA    15      10.774  -0.384  -7.166          0.001
-ATOM     30  CA  ALA    16      10.568   2.380  -4.089          0.000
-ATOM     31  CB  ALA    16      10.923   2.167  -3.473          0.002
-ATOM     32  CA  ALA    17      10.232   5.962  -5.312          0.000
-ATOM     33  CB  ALA    17      10.483   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.815   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.35                                       ENERGY     6.66485E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.182  -0.604  -0.080          0.001
-ATOM      2  CA  ALA     2       3.864   0.255   0.378          0.001
-ATOM      3  CB  ALA     2       3.942   0.723   0.954          0.002
-ATOM      4  CA  ALA     3       6.742  -2.162  -0.173          0.012
-ATOM      5  CB  ALA     3       6.956  -2.673  -0.688          0.025
-ATOM      6  CA  ALA     4      10.401  -1.187  -0.042          0.003
-ATOM      7  CB  ALA     4      10.530  -0.827   0.558          0.013
-ATOM      8  CA  CYS     5      12.582  -4.196  -0.890          0.046
-ATOM      9  CB  CYS     5      12.298  -4.652  -1.944          0.005
-ATOM     10  CA  ALA     6      16.154  -5.613  -1.335          0.069
-ATOM     11  CB  ALA     6      16.938  -5.426  -1.361          0.084
-ATOM     12  CA  ALA     7      14.914  -7.656   1.497          0.222
-ATOM     13  CB  ALA     7      14.912  -7.629  -4.405          0.210
-ATOM     14  CA  ALA     8      14.251 -10.360  -1.112          0.054
-ATOM     15  CB  ALA     8      14.589 -10.772  -1.835          0.215
-ATOM     16  CA  ALA     9      13.796 -13.922  -2.282          0.017
-ATOM     17  CB  ALA     9      14.210 -14.426  -1.775          0.011
-ATOM     18  CA  ALA    10      10.043 -13.383  -2.532          0.003
-ATOM     19  CB  ALA    10      10.012 -12.616  -2.378          0.004
-ATOM     20  CA  ALA    11       8.616 -13.984  -5.987          0.001
-ATOM     21  CB  ALA    11       8.276 -14.591  -6.220          0.002
-ATOM     22  CA  ALA    12       7.820 -10.286  -6.405          0.001
-ATOM     23  CB  ALA    12       7.470  -9.832  -5.937          0.004
-ATOM     24  CA  ALA    13      10.026  -7.415  -7.557          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.296          0.001
-ATOM     26  CA  CYS    14       9.807  -4.106  -5.696          0.001
-ATOM     27  CB  CYS    14      10.172  -4.115  -4.510          0.001
-ATOM     28  CA  ALA    15      10.946  -0.560  -6.466          0.001
-ATOM     29  CB  ALA    15      10.774  -0.384  -7.166          0.001
-ATOM     30  CA  ALA    16      10.568   2.380  -4.089          0.000
-ATOM     31  CB  ALA    16      10.923   2.167  -3.473          0.001
-ATOM     32  CA  ALA    17      10.232   5.962  -5.312          0.000
-ATOM     33  CB  ALA    17      10.483   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.815   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.35                                       ENERGY     6.65829E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.183  -0.604  -0.080          0.001
-ATOM      2  CA  ALA     2       3.864   0.255   0.378          0.001
-ATOM      3  CB  ALA     2       3.942   0.723   0.954          0.001
-ATOM      4  CA  ALA     3       6.743  -2.162  -0.174          0.010
-ATOM      5  CB  ALA     3       6.955  -2.673  -0.688          0.022
-ATOM      6  CA  ALA     4      10.401  -1.187  -0.042          0.002
-ATOM      7  CB  ALA     4      10.530  -0.827   0.558          0.011
-ATOM      8  CA  CYS     5      12.582  -4.197  -0.890          0.043
-ATOM      9  CB  CYS     5      12.298  -4.652  -1.944          0.005
-ATOM     10  CA  ALA     6      16.155  -5.612  -1.334          0.089
-ATOM     11  CB  ALA     6      16.937  -5.425  -1.361          0.076
-ATOM     12  CA  ALA     7      14.913  -7.656   1.494          0.237
-ATOM     13  CB  ALA     7      14.912  -7.628  -4.406          0.142
-ATOM     14  CA  ALA     8      14.252 -10.361  -1.112          0.050
-ATOM     15  CB  ALA     8      14.589 -10.772  -1.833          0.194
-ATOM     16  CA  ALA     9      13.796 -13.922  -2.282          0.014
-ATOM     17  CB  ALA     9      14.211 -14.426  -1.774          0.009
-ATOM     18  CA  ALA    10      10.043 -13.383  -2.532          0.003
-ATOM     19  CB  ALA    10      10.012 -12.615  -2.377          0.003
-ATOM     20  CA  ALA    11       8.616 -13.984  -5.987          0.001
-ATOM     21  CB  ALA    11       8.275 -14.591  -6.221          0.002
-ATOM     22  CA  ALA    12       7.820 -10.286  -6.405          0.001
-ATOM     23  CB  ALA    12       7.470  -9.832  -5.937          0.003
-ATOM     24  CA  ALA    13      10.026  -7.415  -7.557          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.296          0.001
-ATOM     26  CA  CYS    14       9.807  -4.106  -5.696          0.001
-ATOM     27  CB  CYS    14      10.172  -4.115  -4.510          0.001
-ATOM     28  CA  ALA    15      10.946  -0.560  -6.466          0.001
-ATOM     29  CB  ALA    15      10.774  -0.384  -7.166          0.001
-ATOM     30  CA  ALA    16      10.568   2.380  -4.089          0.000
-ATOM     31  CB  ALA    16      10.923   2.167  -3.473          0.001
-ATOM     32  CA  ALA    17      10.232   5.962  -5.312          0.000
-ATOM     33  CB  ALA    17      10.483   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.815   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.35                                       ENERGY     6.64975E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.183  -0.604  -0.080          0.001
-ATOM      2  CA  ALA     2       3.863   0.255   0.378          0.001
-ATOM      3  CB  ALA     2       3.942   0.723   0.954          0.001
-ATOM      4  CA  ALA     3       6.743  -2.161  -0.174          0.008
-ATOM      5  CB  ALA     3       6.955  -2.673  -0.688          0.018
-ATOM      6  CA  ALA     4      10.401  -1.186  -0.042          0.002
-ATOM      7  CB  ALA     4      10.530  -0.826   0.558          0.009
-ATOM      8  CA  CYS     5      12.582  -4.198  -0.890          0.039
-ATOM      9  CB  CYS     5      12.297  -4.652  -1.944          0.004
-ATOM     10  CA  ALA     6      16.156  -5.612  -1.332          0.106
-ATOM     11  CB  ALA     6      16.937  -5.425  -1.360          0.066
-ATOM     12  CA  ALA     7      14.913  -7.657   1.490          0.243
-ATOM     13  CB  ALA     7      14.912  -7.627  -4.406          0.115
-ATOM     14  CA  ALA     8      14.252 -10.363  -1.111          0.045
-ATOM     15  CB  ALA     8      14.589 -10.772  -1.831          0.169
-ATOM     16  CA  ALA     9      13.796 -13.922  -2.281          0.011
-ATOM     17  CB  ALA     9      14.211 -14.426  -1.774          0.008
-ATOM     18  CA  ALA    10      10.043 -13.382  -2.532          0.002
-ATOM     19  CB  ALA    10      10.012 -12.615  -2.377          0.003
-ATOM     20  CA  ALA    11       8.616 -13.984  -5.987          0.000
-ATOM     21  CB  ALA    11       8.275 -14.591  -6.221          0.001
-ATOM     22  CA  ALA    12       7.820 -10.286  -6.405          0.001
-ATOM     23  CB  ALA    12       7.470  -9.833  -5.936          0.003
-ATOM     24  CA  ALA    13      10.026  -7.415  -7.557          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.296          0.001
-ATOM     26  CA  CYS    14       9.807  -4.106  -5.696          0.001
-ATOM     27  CB  CYS    14      10.172  -4.115  -4.510          0.001
-ATOM     28  CA  ALA    15      10.946  -0.560  -6.466          0.001
-ATOM     29  CB  ALA    15      10.774  -0.384  -7.166          0.000
-ATOM     30  CA  ALA    16      10.568   2.380  -4.089          0.000
-ATOM     31  CB  ALA    16      10.923   2.167  -3.473          0.001
-ATOM     32  CA  ALA    17      10.232   5.962  -5.312          0.000
-ATOM     33  CB  ALA    17      10.483   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.815   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.37                                       ENERGY     6.62508E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.183  -0.604  -0.080          0.001
-ATOM      2  CA  ALA     2       3.863   0.255   0.378          0.001
-ATOM      3  CB  ALA     2       3.943   0.723   0.954          0.002
-ATOM      4  CA  ALA     3       6.743  -2.161  -0.174          0.012
-ATOM      5  CB  ALA     3       6.953  -2.674  -0.689          0.027
-ATOM      6  CA  ALA     4      10.402  -1.185  -0.043          0.003
-ATOM      7  CB  ALA     4      10.530  -0.825   0.559          0.014
-ATOM      8  CA  CYS     5      12.582  -4.200  -0.890          0.047
-ATOM      9  CB  CYS     5      12.297  -4.652  -1.945          0.005
-ATOM     10  CA  ALA     6      16.160  -5.609  -1.329          0.054
-ATOM     11  CB  ALA     6      16.935  -5.423  -1.358          0.090
-ATOM     12  CA  ALA     7      14.910  -7.658   1.480          0.210
-ATOM     13  CB  ALA     7      14.912  -7.622  -4.406          0.234
-ATOM     14  CA  ALA     8      14.253 -10.367  -1.111          0.059
-ATOM     15  CB  ALA     8      14.588 -10.773  -1.826          0.238
-ATOM     16  CA  ALA     9      13.796 -13.921  -2.278          0.019
-ATOM     17  CB  ALA     9      14.211 -14.427  -1.774          0.010
-ATOM     18  CA  ALA    10      10.043 -13.381  -2.533          0.004
-ATOM     19  CB  ALA    10      10.011 -12.615  -2.377          0.004
-ATOM     20  CA  ALA    11       8.616 -13.985  -5.987          0.001
-ATOM     21  CB  ALA    11       8.275 -14.591  -6.221          0.002
-ATOM     22  CA  ALA    12       7.821 -10.286  -6.405          0.001
-ATOM     23  CB  ALA    12       7.470  -9.833  -5.936          0.004
-ATOM     24  CA  ALA    13      10.027  -7.415  -7.557          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.295          0.001
-ATOM     26  CA  CYS    14       9.806  -4.106  -5.696          0.001
-ATOM     27  CB  CYS    14      10.172  -4.114  -4.510          0.002
-ATOM     28  CA  ALA    15      10.946  -0.561  -6.466          0.001
-ATOM     29  CB  ALA    15      10.774  -0.384  -7.165          0.001
-ATOM     30  CA  ALA    16      10.568   2.380  -4.089          0.000
-ATOM     31  CB  ALA    16      10.923   2.167  -3.473          0.001
-ATOM     32  CA  ALA    17      10.232   5.962  -5.312          0.000
-ATOM     33  CB  ALA    17      10.483   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.815   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.37                                       ENERGY     6.62016E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.183  -0.604  -0.080          0.001
-ATOM      2  CA  ALA     2       3.863   0.255   0.379          0.001
-ATOM      3  CB  ALA     2       3.943   0.723   0.954          0.002
-ATOM      4  CA  ALA     3       6.743  -2.160  -0.174          0.011
-ATOM      5  CB  ALA     3       6.952  -2.674  -0.689          0.024
-ATOM      6  CA  ALA     4      10.402  -1.185  -0.043          0.003
-ATOM      7  CB  ALA     4      10.530  -0.825   0.559          0.013
-ATOM      8  CA  CYS     5      12.582  -4.201  -0.890          0.045
-ATOM      9  CB  CYS     5      12.297  -4.652  -1.945          0.005
-ATOM     10  CA  ALA     6      16.162  -5.609  -1.328          0.074
-ATOM     11  CB  ALA     6      16.935  -5.422  -1.357          0.084
-ATOM     12  CA  ALA     7      14.909  -7.659   1.477          0.230
-ATOM     13  CB  ALA     7      14.912  -7.621  -4.407          0.154
-ATOM     14  CA  ALA     8      14.253 -10.368  -1.111          0.056
-ATOM     15  CB  ALA     8      14.588 -10.773  -1.824          0.223
-ATOM     16  CA  ALA     9      13.797 -13.921  -2.277          0.016
-ATOM     17  CB  ALA     9      14.211 -14.428  -1.774          0.009
-ATOM     18  CA  ALA    10      10.043 -13.381  -2.533          0.003
-ATOM     19  CB  ALA    10      10.011 -12.615  -2.377          0.003
-ATOM     20  CA  ALA    11       8.616 -13.985  -5.987          0.001
-ATOM     21  CB  ALA    11       8.275 -14.591  -6.221          0.002
-ATOM     22  CA  ALA    12       7.821 -10.286  -6.405          0.001
-ATOM     23  CB  ALA    12       7.470  -9.833  -5.936          0.004
-ATOM     24  CA  ALA    13      10.027  -7.415  -7.557          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.295          0.001
-ATOM     26  CA  CYS    14       9.806  -4.106  -5.696          0.001
-ATOM     27  CB  CYS    14      10.172  -4.114  -4.510          0.001
-ATOM     28  CA  ALA    15      10.946  -0.561  -6.466          0.001
-ATOM     29  CB  ALA    15      10.774  -0.384  -7.165          0.001
-ATOM     30  CA  ALA    16      10.568   2.380  -4.089          0.000
-ATOM     31  CB  ALA    16      10.923   2.167  -3.473          0.001
-ATOM     32  CA  ALA    17      10.232   5.962  -5.312          0.000
-ATOM     33  CB  ALA    17      10.483   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.816   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.37                                       ENERGY     6.61311E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.183  -0.604  -0.079          0.001
-ATOM      2  CA  ALA     2       3.863   0.255   0.379          0.001
-ATOM      3  CB  ALA     2       3.943   0.723   0.954          0.001
-ATOM      4  CA  ALA     3       6.744  -2.160  -0.174          0.009
-ATOM      5  CB  ALA     3       6.952  -2.674  -0.689          0.021
-ATOM      6  CA  ALA     4      10.402  -1.184  -0.043          0.003
-ATOM      7  CB  ALA     4      10.530  -0.825   0.559          0.011
-ATOM      8  CA  CYS     5      12.581  -4.202  -0.890          0.042
-ATOM      9  CB  CYS     5      12.296  -4.652  -1.945          0.004
-ATOM     10  CA  ALA     6      16.163  -5.608  -1.327          0.093
-ATOM     11  CB  ALA     6      16.934  -5.421  -1.357          0.075
-ATOM     12  CA  ALA     7      14.908  -7.659   1.474          0.242
-ATOM     13  CB  ALA     7      14.912  -7.620  -4.408          0.110
-ATOM     14  CA  ALA     8      14.254 -10.369  -1.111          0.052
-ATOM     15  CB  ALA     8      14.588 -10.773  -1.823          0.202
-ATOM     16  CA  ALA     9      13.797 -13.922  -2.276          0.014
-ATOM     17  CB  ALA     9      14.211 -14.428  -1.774          0.007
-ATOM     18  CA  ALA    10      10.043 -13.380  -2.533          0.003
-ATOM     19  CB  ALA    10      10.011 -12.615  -2.377          0.003
-ATOM     20  CA  ALA    11       8.616 -13.985  -5.987          0.001
-ATOM     21  CB  ALA    11       8.275 -14.591  -6.221          0.002
-ATOM     22  CA  ALA    12       7.821 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.470  -9.833  -5.936          0.003
-ATOM     24  CA  ALA    13      10.027  -7.415  -7.557          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.295          0.001
-ATOM     26  CA  CYS    14       9.806  -4.106  -5.696          0.001
-ATOM     27  CB  CYS    14      10.172  -4.114  -4.510          0.001
-ATOM     28  CA  ALA    15      10.946  -0.561  -6.466          0.001
-ATOM     29  CB  ALA    15      10.774  -0.384  -7.165          0.001
-ATOM     30  CA  ALA    16      10.567   2.380  -4.089          0.000
-ATOM     31  CB  ALA    16      10.923   2.167  -3.473          0.001
-ATOM     32  CA  ALA    17      10.232   5.962  -5.312          0.000
-ATOM     33  CB  ALA    17      10.483   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.816   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.38                                       ENERGY     6.60422E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.183  -0.604  -0.079          0.000
-ATOM      2  CA  ALA     2       3.863   0.255   0.379          0.001
-ATOM      3  CB  ALA     2       3.943   0.723   0.954          0.001
-ATOM      4  CA  ALA     3       6.744  -2.160  -0.175          0.008
-ATOM      5  CB  ALA     3       6.951  -2.674  -0.689          0.017
-ATOM      6  CA  ALA     4      10.402  -1.184  -0.043          0.002
-ATOM      7  CB  ALA     4      10.530  -0.824   0.559          0.010
-ATOM      8  CA  CYS     5      12.581  -4.202  -0.890          0.038
-ATOM      9  CB  CYS     5      12.296  -4.652  -1.945          0.004
-ATOM     10  CA  ALA     6      16.164  -5.607  -1.326          0.109
-ATOM     11  CB  ALA     6      16.934  -5.421  -1.356          0.065
-ATOM     12  CA  ALA     7      14.907  -7.660   1.471          0.245
-ATOM     13  CB  ALA     7      14.912  -7.619  -4.407          0.103
-ATOM     14  CA  ALA     8      14.254 -10.370  -1.111          0.046
-ATOM     15  CB  ALA     8      14.588 -10.773  -1.821          0.175
-ATOM     16  CA  ALA     9      13.797 -13.922  -2.275          0.011
-ATOM     17  CB  ALA     9      14.211 -14.428  -1.774          0.006
-ATOM     18  CA  ALA    10      10.043 -13.380  -2.533          0.002
-ATOM     19  CB  ALA    10      10.010 -12.615  -2.377          0.002
-ATOM     20  CA  ALA    11       8.616 -13.985  -5.987          0.001
-ATOM     21  CB  ALA    11       8.275 -14.591  -6.221          0.001
-ATOM     22  CA  ALA    12       7.821 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.470  -9.834  -5.936          0.003
-ATOM     24  CA  ALA    13      10.027  -7.415  -7.557          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.295          0.001
-ATOM     26  CA  CYS    14       9.805  -4.106  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.114  -4.510          0.001
-ATOM     28  CA  ALA    15      10.946  -0.561  -6.466          0.001
-ATOM     29  CB  ALA    15      10.774  -0.384  -7.165          0.000
-ATOM     30  CA  ALA    16      10.567   2.380  -4.089          0.000
-ATOM     31  CB  ALA    16      10.922   2.168  -3.473          0.001
-ATOM     32  CA  ALA    17      10.232   5.962  -5.312          0.000
-ATOM     33  CB  ALA    17      10.483   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.816   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.39                                       ENERGY     6.58276E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.183  -0.604  -0.079          0.001
-ATOM      2  CA  ALA     2       3.863   0.254   0.379          0.001
-ATOM      3  CB  ALA     2       3.943   0.723   0.954          0.001
-ATOM      4  CA  ALA     3       6.744  -2.159  -0.175          0.008
-ATOM      5  CB  ALA     3       6.950  -2.674  -0.689          0.019
-ATOM      6  CA  ALA     4      10.403  -1.183  -0.043          0.003
-ATOM      7  CB  ALA     4      10.530  -0.823   0.559          0.011
-ATOM      8  CA  CYS     5      12.581  -4.204  -0.890          0.037
-ATOM      9  CB  CYS     5      12.296  -4.653  -1.945          0.004
-ATOM     10  CA  ALA     6      16.167  -5.605  -1.324          0.076
-ATOM     11  CB  ALA     6      16.933  -5.420  -1.355          0.068
-ATOM     12  CA  ALA     7      14.906  -7.661   1.464          0.207
-ATOM     13  CB  ALA     7      14.913  -7.616  -4.406          0.089
-ATOM     14  CA  ALA     8      14.255 -10.373  -1.111          0.047
-ATOM     15  CB  ALA     8      14.587 -10.773  -1.818          0.187
-ATOM     16  CA  ALA     9      13.797 -13.922  -2.273          0.013
-ATOM     17  CB  ALA     9      14.211 -14.429  -1.773          0.006
-ATOM     18  CA  ALA    10      10.043 -13.379  -2.533          0.003
-ATOM     19  CB  ALA    10      10.010 -12.615  -2.377          0.002
-ATOM     20  CA  ALA    11       8.616 -13.985  -5.988          0.001
-ATOM     21  CB  ALA    11       8.274 -14.591  -6.221          0.001
-ATOM     22  CA  ALA    12       7.821 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.471  -9.834  -5.936          0.003
-ATOM     24  CA  ALA    13      10.027  -7.415  -7.556          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.295          0.001
-ATOM     26  CA  CYS    14       9.805  -4.106  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.114  -4.510          0.001
-ATOM     28  CA  ALA    15      10.947  -0.561  -6.466          0.001
-ATOM     29  CB  ALA    15      10.774  -0.383  -7.165          0.001
-ATOM     30  CA  ALA    16      10.567   2.379  -4.090          0.000
-ATOM     31  CB  ALA    16      10.922   2.168  -3.473          0.001
-ATOM     32  CA  ALA    17      10.233   5.962  -5.312          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.816   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.39                                       ENERGY     6.57232E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.183  -0.604  -0.079          0.001
-ATOM      2  CA  ALA     2       3.863   0.254   0.379          0.001
-ATOM      3  CB  ALA     2       3.943   0.723   0.953          0.001
-ATOM      4  CA  ALA     3       6.744  -2.159  -0.175          0.010
-ATOM      5  CB  ALA     3       6.949  -2.675  -0.690          0.023
-ATOM      6  CA  ALA     4      10.403  -1.183  -0.044          0.004
-ATOM      7  CB  ALA     4      10.531  -0.823   0.559          0.013
-ATOM      8  CA  CYS     5      12.581  -4.205  -0.890          0.045
-ATOM      9  CB  CYS     5      12.295  -4.653  -1.945          0.005
-ATOM     10  CA  ALA     6      16.169  -5.604  -1.323          0.079
-ATOM     11  CB  ALA     6      16.932  -5.418  -1.354          0.085
-ATOM     12  CA  ALA     7      14.904  -7.662   1.459          0.234
-ATOM     13  CB  ALA     7      14.913  -7.614  -4.407          0.112
-ATOM     14  CA  ALA     8      14.256 -10.375  -1.112          0.059
-ATOM     15  CB  ALA     8      14.587 -10.773  -1.815          0.235
-ATOM     16  CA  ALA     9      13.798 -13.922  -2.271          0.016
-ATOM     17  CB  ALA     9      14.211 -14.429  -1.773          0.008
-ATOM     18  CA  ALA    10      10.043 -13.378  -2.534          0.004
-ATOM     19  CB  ALA    10      10.010 -12.615  -2.377          0.003
-ATOM     20  CA  ALA    11       8.615 -13.985  -5.988          0.001
-ATOM     21  CB  ALA    11       8.274 -14.590  -6.221          0.002
-ATOM     22  CA  ALA    12       7.821 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.471  -9.834  -5.935          0.004
-ATOM     24  CA  ALA    13      10.028  -7.415  -7.556          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.295          0.001
-ATOM     26  CA  CYS    14       9.804  -4.106  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.114  -4.510          0.001
-ATOM     28  CA  ALA    15      10.947  -0.562  -6.466          0.001
-ATOM     29  CB  ALA    15      10.774  -0.383  -7.165          0.001
-ATOM     30  CA  ALA    16      10.567   2.379  -4.090          0.000
-ATOM     31  CB  ALA    16      10.922   2.168  -3.473          0.001
-ATOM     32  CA  ALA    17      10.233   5.962  -5.312          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.816   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.40                                       ENERGY     6.56493E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.183  -0.604  -0.079          0.001
-ATOM      2  CA  ALA     2       3.863   0.254   0.379          0.001
-ATOM      3  CB  ALA     2       3.944   0.723   0.953          0.001
-ATOM      4  CA  ALA     3       6.744  -2.159  -0.175          0.008
-ATOM      5  CB  ALA     3       6.949  -2.675  -0.690          0.020
-ATOM      6  CA  ALA     4      10.403  -1.182  -0.044          0.003
-ATOM      7  CB  ALA     4      10.531  -0.822   0.559          0.012
-ATOM      8  CA  CYS     5      12.581  -4.206  -0.890          0.042
-ATOM      9  CB  CYS     5      12.295  -4.653  -1.946          0.004
-ATOM     10  CA  ALA     6      16.171  -5.603  -1.322          0.097
-ATOM     11  CB  ALA     6      16.931  -5.418  -1.353          0.075
-ATOM     12  CA  ALA     7      14.903  -7.662   1.456          0.243
-ATOM     13  CB  ALA     7      14.913  -7.613  -4.407          0.089
-ATOM     14  CA  ALA     8      14.256 -10.377  -1.112          0.053
-ATOM     15  CB  ALA     8      14.587 -10.773  -1.813          0.210
-ATOM     16  CA  ALA     9      13.798 -13.922  -2.270          0.014
-ATOM     17  CB  ALA     9      14.211 -14.430  -1.773          0.006
-ATOM     18  CA  ALA    10      10.043 -13.378  -2.534          0.003
-ATOM     19  CB  ALA    10      10.010 -12.615  -2.377          0.002
-ATOM     20  CA  ALA    11       8.615 -13.986  -5.988          0.001
-ATOM     21  CB  ALA    11       8.274 -14.590  -6.221          0.002
-ATOM     22  CA  ALA    12       7.821 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.471  -9.834  -5.935          0.003
-ATOM     24  CA  ALA    13      10.028  -7.415  -7.556          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.294          0.001
-ATOM     26  CA  CYS    14       9.804  -4.106  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.113  -4.510          0.001
-ATOM     28  CA  ALA    15      10.947  -0.562  -6.466          0.001
-ATOM     29  CB  ALA    15      10.774  -0.383  -7.165          0.001
-ATOM     30  CA  ALA    16      10.567   2.379  -4.090          0.000
-ATOM     31  CB  ALA    16      10.922   2.168  -3.473          0.001
-ATOM     32  CA  ALA    17      10.233   5.962  -5.311          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.816   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.40                                       ENERGY     6.55581E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.183  -0.604  -0.078          0.000
-ATOM      2  CA  ALA     2       3.863   0.254   0.379          0.000
-ATOM      3  CB  ALA     2       3.944   0.723   0.953          0.001
-ATOM      4  CA  ALA     3       6.745  -2.159  -0.175          0.007
-ATOM      5  CB  ALA     3       6.948  -2.675  -0.690          0.016
-ATOM      6  CA  ALA     4      10.403  -1.182  -0.044          0.003
-ATOM      7  CB  ALA     4      10.531  -0.822   0.560          0.010
-ATOM      8  CA  CYS     5      12.581  -4.207  -0.890          0.037
-ATOM      9  CB  CYS     5      12.295  -4.653  -1.946          0.004
-ATOM     10  CA  ALA     6      16.172  -5.602  -1.321          0.112
-ATOM     11  CB  ALA     6      16.931  -5.417  -1.353          0.064
-ATOM     12  CA  ALA     7      14.902  -7.663   1.453          0.244
-ATOM     13  CB  ALA     7      14.913  -7.612  -4.407          0.098
-ATOM     14  CA  ALA     8      14.256 -10.378  -1.112          0.047
-ATOM     15  CB  ALA     8      14.587 -10.772  -1.811          0.181
-ATOM     16  CA  ALA     9      13.798 -13.922  -2.269          0.011
-ATOM     17  CB  ALA     9      14.211 -14.430  -1.773          0.005
-ATOM     18  CA  ALA    10      10.043 -13.377  -2.534          0.003
-ATOM     19  CB  ALA    10      10.009 -12.615  -2.376          0.002
-ATOM     20  CA  ALA    11       8.615 -13.986  -5.988          0.001
-ATOM     21  CB  ALA    11       8.274 -14.590  -6.221          0.001
-ATOM     22  CA  ALA    12       7.821 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.471  -9.834  -5.935          0.002
-ATOM     24  CA  ALA    13      10.028  -7.415  -7.556          0.001
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.294          0.001
-ATOM     26  CA  CYS    14       9.804  -4.106  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.113  -4.510          0.001
-ATOM     28  CA  ALA    15      10.947  -0.562  -6.466          0.001
-ATOM     29  CB  ALA    15      10.774  -0.383  -7.165          0.000
-ATOM     30  CA  ALA    16      10.567   2.379  -4.090          0.000
-ATOM     31  CB  ALA    16      10.922   2.168  -3.472          0.001
-ATOM     32  CA  ALA    17      10.233   5.962  -5.311          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.816   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.40                                       ENERGY     6.54531E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.183  -0.604  -0.078          0.000
-ATOM      2  CA  ALA     2       3.863   0.254   0.379          0.000
-ATOM      3  CB  ALA     2       3.944   0.723   0.953          0.001
-ATOM      4  CA  ALA     3       6.745  -2.158  -0.175          0.005
-ATOM      5  CB  ALA     3       6.948  -2.675  -0.690          0.013
-ATOM      6  CA  ALA     4      10.404  -1.182  -0.044          0.003
-ATOM      7  CB  ALA     4      10.531  -0.822   0.560          0.008
-ATOM      8  CA  CYS     5      12.581  -4.207  -0.890          0.033
-ATOM      9  CB  CYS     5      12.295  -4.653  -1.946          0.003
-ATOM     10  CA  ALA     6      16.173  -5.601  -1.320          0.122
-ATOM     11  CB  ALA     6      16.930  -5.416  -1.352          0.054
-ATOM     12  CA  ALA     7      14.901  -7.663   1.450          0.240
-ATOM     13  CB  ALA     7      14.913  -7.611  -4.406          0.127
-ATOM     14  CA  ALA     8      14.257 -10.379  -1.112          0.041
-ATOM     15  CB  ALA     8      14.587 -10.772  -1.810          0.154
-ATOM     16  CA  ALA     9      13.798 -13.923  -2.269          0.009
-ATOM     17  CB  ALA     9      14.211 -14.430  -1.773          0.004
-ATOM     18  CA  ALA    10      10.043 -13.377  -2.534          0.002
-ATOM     19  CB  ALA    10      10.009 -12.615  -2.376          0.002
-ATOM     20  CA  ALA    11       8.615 -13.986  -5.988          0.000
-ATOM     21  CB  ALA    11       8.274 -14.590  -6.221          0.001
-ATOM     22  CA  ALA    12       7.821 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.471  -9.835  -5.935          0.002
-ATOM     24  CA  ALA    13      10.028  -7.415  -7.556          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.294          0.001
-ATOM     26  CA  CYS    14       9.804  -4.106  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.113  -4.510          0.001
-ATOM     28  CA  ALA    15      10.947  -0.562  -6.466          0.000
-ATOM     29  CB  ALA    15      10.774  -0.383  -7.165          0.000
-ATOM     30  CA  ALA    16      10.567   2.379  -4.090          0.000
-ATOM     31  CB  ALA    16      10.922   2.168  -3.472          0.001
-ATOM     32  CA  ALA    17      10.233   5.962  -5.311          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.816   7.424  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.41                                       ENERGY     6.52173E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.184  -0.604  -0.078          0.001
-ATOM      2  CA  ALA     2       3.863   0.254   0.379          0.001
-ATOM      3  CB  ALA     2       3.944   0.722   0.953          0.001
-ATOM      4  CA  ALA     3       6.745  -2.158  -0.176          0.009
-ATOM      5  CB  ALA     3       6.947  -2.675  -0.690          0.022
-ATOM      6  CA  ALA     4      10.404  -1.181  -0.044          0.005
-ATOM      7  CB  ALA     4      10.531  -0.821   0.560          0.014
-ATOM      8  CA  CYS     5      12.581  -4.209  -0.890          0.046
-ATOM      9  CB  CYS     5      12.294  -4.653  -1.946          0.005
-ATOM     10  CA  ALA     6      16.176  -5.598  -1.318          0.082
-ATOM     11  CB  ALA     6      16.929  -5.415  -1.351          0.085
-ATOM     12  CA  ALA     7      14.899  -7.665   1.441          0.233
-ATOM     13  CB  ALA     7      14.913  -7.608  -4.405          0.081
-ATOM     14  CA  ALA     8      14.258 -10.382  -1.112          0.061
-ATOM     15  CB  ALA     8      14.586 -10.772  -1.805          0.246
-ATOM     16  CA  ALA     9      13.799 -13.923  -2.266          0.017
-ATOM     17  CB  ALA     9      14.210 -14.431  -1.773          0.007
-ATOM     18  CA  ALA    10      10.043 -13.375  -2.534          0.004
-ATOM     19  CB  ALA    10      10.009 -12.615  -2.376          0.003
-ATOM     20  CA  ALA    11       8.615 -13.986  -5.988          0.001
-ATOM     21  CB  ALA    11       8.274 -14.590  -6.222          0.002
-ATOM     22  CA  ALA    12       7.822 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.471  -9.835  -5.935          0.003
-ATOM     24  CA  ALA    13      10.028  -7.415  -7.555          0.001
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.294          0.001
-ATOM     26  CA  CYS    14       9.803  -4.106  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.113  -4.510          0.001
-ATOM     28  CA  ALA    15      10.947  -0.562  -6.466          0.001
-ATOM     29  CB  ALA    15      10.774  -0.383  -7.165          0.001
-ATOM     30  CA  ALA    16      10.567   2.379  -4.090          0.000
-ATOM     31  CB  ALA    16      10.922   2.168  -3.472          0.001
-ATOM     32  CA  ALA    17      10.233   5.962  -5.311          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.816   7.424  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.42                                       ENERGY     6.51416E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.184  -0.604  -0.078          0.001
-ATOM      2  CA  ALA     2       3.863   0.254   0.379          0.000
-ATOM      3  CB  ALA     2       3.944   0.722   0.953          0.001
-ATOM      4  CA  ALA     3       6.745  -2.158  -0.176          0.008
-ATOM      5  CB  ALA     3       6.946  -2.675  -0.691          0.019
-ATOM      6  CA  ALA     4      10.404  -1.180  -0.045          0.004
-ATOM      7  CB  ALA     4      10.531  -0.820   0.560          0.012
-ATOM      8  CA  CYS     5      12.581  -4.210  -0.890          0.042
-ATOM      9  CB  CYS     5      12.294  -4.654  -1.946          0.004
-ATOM     10  CA  ALA     6      16.178  -5.597  -1.318          0.099
-ATOM     11  CB  ALA     6      16.928  -5.414  -1.350          0.075
-ATOM     12  CA  ALA     7      14.898  -7.665   1.438          0.241
-ATOM     13  CB  ALA     7      14.913  -7.607  -4.405          0.076
-ATOM     14  CA  ALA     8      14.258 -10.383  -1.113          0.055
-ATOM     15  CB  ALA     8      14.586 -10.772  -1.803          0.219
-ATOM     16  CA  ALA     9      13.799 -13.924  -2.265          0.014
-ATOM     17  CB  ALA     9      14.210 -14.431  -1.773          0.006
-ATOM     18  CA  ALA    10      10.043 -13.375  -2.535          0.004
-ATOM     19  CB  ALA    10      10.009 -12.615  -2.376          0.002
-ATOM     20  CA  ALA    11       8.615 -13.986  -5.988          0.001
-ATOM     21  CB  ALA    11       8.273 -14.590  -6.222          0.002
-ATOM     22  CA  ALA    12       7.822 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.471  -9.835  -5.935          0.003
-ATOM     24  CA  ALA    13      10.028  -7.415  -7.555          0.001
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.294          0.001
-ATOM     26  CA  CYS    14       9.803  -4.105  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.113  -4.510          0.001
-ATOM     28  CA  ALA    15      10.947  -0.562  -6.466          0.001
-ATOM     29  CB  ALA    15      10.774  -0.383  -7.165          0.001
-ATOM     30  CA  ALA    16      10.567   2.379  -4.090          0.000
-ATOM     31  CB  ALA    16      10.922   2.168  -3.472          0.001
-ATOM     32  CA  ALA    17      10.233   5.962  -5.311          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.816   7.424  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.42                                       ENERGY     6.50494E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.184  -0.604  -0.078          0.000
-ATOM      2  CA  ALA     2       3.862   0.254   0.379          0.000
-ATOM      3  CB  ALA     2       3.944   0.722   0.953          0.001
-ATOM      4  CA  ALA     3       6.745  -2.158  -0.176          0.006
-ATOM      5  CB  ALA     3       6.946  -2.675  -0.691          0.016
-ATOM      6  CA  ALA     4      10.404  -1.180  -0.045          0.004
-ATOM      7  CB  ALA     4      10.531  -0.820   0.560          0.010
-ATOM      8  CA  CYS     5      12.581  -4.211  -0.889          0.037
-ATOM      9  CB  CYS     5      12.294  -4.654  -1.946          0.004
-ATOM     10  CA  ALA     6      16.179  -5.596  -1.317          0.112
-ATOM     11  CB  ALA     6      16.928  -5.413  -1.350          0.064
-ATOM     12  CA  ALA     7      14.897  -7.666   1.435          0.240
-ATOM     13  CB  ALA     7      14.913  -7.606  -4.405          0.097
-ATOM     14  CA  ALA     8      14.259 -10.384  -1.113          0.048
-ATOM     15  CB  ALA     8      14.586 -10.771  -1.801          0.187
-ATOM     16  CA  ALA     9      13.799 -13.924  -2.264          0.011
-ATOM     17  CB  ALA     9      14.210 -14.432  -1.773          0.005
-ATOM     18  CA  ALA    10      10.043 -13.374  -2.535          0.003
-ATOM     19  CB  ALA    10      10.009 -12.615  -2.376          0.002
-ATOM     20  CA  ALA    11       8.615 -13.986  -5.988          0.001
-ATOM     21  CB  ALA    11       8.273 -14.590  -6.222          0.001
-ATOM     22  CA  ALA    12       7.822 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.471  -9.835  -5.934          0.002
-ATOM     24  CA  ALA    13      10.028  -7.415  -7.555          0.001
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.294          0.001
-ATOM     26  CA  CYS    14       9.803  -4.105  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.113  -4.510          0.001
-ATOM     28  CA  ALA    15      10.947  -0.562  -6.466          0.001
-ATOM     29  CB  ALA    15      10.775  -0.383  -7.165          0.001
-ATOM     30  CA  ALA    16      10.567   2.378  -4.090          0.000
-ATOM     31  CB  ALA    16      10.921   2.168  -3.472          0.001
-ATOM     32  CA  ALA    17      10.233   5.961  -5.311          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.817   7.424  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.43                                       ENERGY     6.49439E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.184  -0.604  -0.078          0.000
-ATOM      2  CA  ALA     2       3.862   0.254   0.379          0.000
-ATOM      3  CB  ALA     2       3.944   0.722   0.953          0.001
-ATOM      4  CA  ALA     3       6.745  -2.157  -0.176          0.005
-ATOM      5  CB  ALA     3       6.945  -2.675  -0.691          0.013
-ATOM      6  CA  ALA     4      10.405  -1.180  -0.045          0.003
-ATOM      7  CB  ALA     4      10.531  -0.820   0.560          0.008
-ATOM      8  CA  CYS     5      12.581  -4.211  -0.889          0.032
-ATOM      9  CB  CYS     5      12.294  -4.654  -1.947          0.003
-ATOM     10  CA  ALA     6      16.180  -5.595  -1.316          0.123
-ATOM     11  CB  ALA     6      16.927  -5.413  -1.349          0.054
-ATOM     12  CA  ALA     7      14.896  -7.666   1.432          0.236
-ATOM     13  CB  ALA     7      14.913  -7.606  -4.404          0.137
-ATOM     14  CA  ALA     8      14.259 -10.385  -1.113          0.042
-ATOM     15  CB  ALA     8      14.586 -10.771  -1.800          0.160
-ATOM     16  CA  ALA     9      13.799 -13.924  -2.263          0.009
-ATOM     17  CB  ALA     9      14.210 -14.432  -1.773          0.004
-ATOM     18  CA  ALA    10      10.043 -13.374  -2.535          0.003
-ATOM     19  CB  ALA    10      10.008 -12.615  -2.376          0.001
-ATOM     20  CA  ALA    11       8.615 -13.986  -5.989          0.000
-ATOM     21  CB  ALA    11       8.273 -14.590  -6.222          0.001
-ATOM     22  CA  ALA    12       7.822 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.472  -9.835  -5.934          0.002
-ATOM     24  CA  ALA    13      10.028  -7.415  -7.555          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.294          0.001
-ATOM     26  CA  CYS    14       9.802  -4.105  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.113  -4.510          0.001
-ATOM     28  CA  ALA    15      10.947  -0.562  -6.467          0.000
-ATOM     29  CB  ALA    15      10.775  -0.383  -7.165          0.000
-ATOM     30  CA  ALA    16      10.567   2.378  -4.090          0.000
-ATOM     31  CB  ALA    16      10.921   2.168  -3.472          0.001
-ATOM     32  CA  ALA    17      10.233   5.961  -5.311          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.817   7.424  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.44                                       ENERGY     6.46844E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.184  -0.604  -0.077          0.001
-ATOM      2  CA  ALA     2       3.862   0.253   0.379          0.001
-ATOM      3  CB  ALA     2       3.945   0.722   0.953          0.001
-ATOM      4  CA  ALA     3       6.746  -2.157  -0.176          0.009
-ATOM      5  CB  ALA     3       6.944  -2.675  -0.691          0.022
-ATOM      6  CA  ALA     4      10.405  -1.179  -0.046          0.006
-ATOM      7  CB  ALA     4      10.532  -0.819   0.561          0.014
-ATOM      8  CA  CYS     5      12.581  -4.213  -0.889          0.047
-ATOM      9  CB  CYS     5      12.293  -4.654  -1.947          0.005
-ATOM     10  CA  ALA     6      16.183  -5.592  -1.314          0.082
-ATOM     11  CB  ALA     6      16.926  -5.411  -1.348          0.086
-ATOM     12  CA  ALA     7      14.894  -7.668   1.424          0.227
-ATOM     13  CB  ALA     7      14.913  -7.603  -4.402          0.059
-ATOM     14  CA  ALA     8      14.261 -10.388  -1.113          0.065
-ATOM     15  CB  ALA     8      14.585 -10.770  -1.795          0.259
-ATOM     16  CA  ALA     9      13.799 -13.925  -2.260          0.017
-ATOM     17  CB  ALA     9      14.210 -14.433  -1.773          0.007
-ATOM     18  CA  ALA    10      10.043 -13.373  -2.535          0.005
-ATOM     19  CB  ALA    10      10.008 -12.615  -2.376          0.002
-ATOM     20  CA  ALA    11       8.614 -13.987  -5.989          0.001
-ATOM     21  CB  ALA    11       8.273 -14.590  -6.222          0.002
-ATOM     22  CA  ALA    12       7.822 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.472  -9.836  -5.934          0.003
-ATOM     24  CA  ALA    13      10.029  -7.415  -7.555          0.001
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.293          0.001
-ATOM     26  CA  CYS    14       9.802  -4.105  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.112  -4.510          0.001
-ATOM     28  CA  ALA    15      10.947  -0.563  -6.467          0.001
-ATOM     29  CB  ALA    15      10.775  -0.382  -7.165          0.001
-ATOM     30  CA  ALA    16      10.566   2.378  -4.090          0.000
-ATOM     31  CB  ALA    16      10.921   2.169  -3.472          0.001
-ATOM     32  CA  ALA    17      10.233   5.961  -5.311          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.817   7.424  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.44                                       ENERGY     6.46098E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.184  -0.604  -0.077          0.001
-ATOM      2  CA  ALA     2       3.862   0.253   0.379          0.000
-ATOM      3  CB  ALA     2       3.945   0.722   0.953          0.001
-ATOM      4  CA  ALA     3       6.746  -2.157  -0.177          0.007
-ATOM      5  CB  ALA     3       6.943  -2.676  -0.691          0.019
-ATOM      6  CA  ALA     4      10.405  -1.179  -0.046          0.006
-ATOM      7  CB  ALA     4      10.532  -0.818   0.561          0.012
-ATOM      8  CA  CYS     5      12.582  -4.214  -0.889          0.043
-ATOM      9  CB  CYS     5      12.293  -4.654  -1.947          0.005
-ATOM     10  CA  ALA     6      16.184  -5.591  -1.314          0.099
-ATOM     11  CB  ALA     6      16.925  -5.410  -1.347          0.076
-ATOM     12  CA  ALA     7      14.893  -7.669   1.421          0.235
-ATOM     13  CB  ALA     7      14.913  -7.602  -4.402          0.066
-ATOM     14  CA  ALA     8      14.261 -10.389  -1.114          0.059
-ATOM     15  CB  ALA     8      14.585 -10.770  -1.793          0.231
-ATOM     16  CA  ALA     9      13.800 -13.926  -2.259          0.014
-ATOM     17  CB  ALA     9      14.210 -14.433  -1.773          0.006
-ATOM     18  CA  ALA    10      10.043 -13.372  -2.535          0.004
-ATOM     19  CB  ALA    10      10.008 -12.616  -2.376          0.002
-ATOM     20  CA  ALA    11       8.614 -13.987  -5.989          0.001
-ATOM     21  CB  ALA    11       8.273 -14.590  -6.222          0.002
-ATOM     22  CA  ALA    12       7.822 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.472  -9.836  -5.934          0.003
-ATOM     24  CA  ALA    13      10.029  -7.415  -7.555          0.001
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.293          0.001
-ATOM     26  CA  CYS    14       9.802  -4.105  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.112  -4.510          0.001
-ATOM     28  CA  ALA    15      10.947  -0.563  -6.467          0.001
-ATOM     29  CB  ALA    15      10.775  -0.382  -7.165          0.001
-ATOM     30  CA  ALA    16      10.566   2.378  -4.090          0.000
-ATOM     31  CB  ALA    16      10.921   2.169  -3.472          0.001
-ATOM     32  CA  ALA    17      10.233   5.961  -5.311          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.817   7.424  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.44                                       ENERGY     6.45191E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.184  -0.604  -0.077          0.000
-ATOM      2  CA  ALA     2       3.862   0.253   0.379          0.000
-ATOM      3  CB  ALA     2       3.945   0.722   0.953          0.001
-ATOM      4  CA  ALA     3       6.746  -2.157  -0.177          0.006
-ATOM      5  CB  ALA     3       6.943  -2.676  -0.691          0.016
-ATOM      6  CA  ALA     4      10.406  -1.179  -0.046          0.005
-ATOM      7  CB  ALA     4      10.532  -0.818   0.561          0.010
-ATOM      8  CA  CYS     5      12.582  -4.215  -0.889          0.038
-ATOM      9  CB  CYS     5      12.293  -4.654  -1.947          0.004
-ATOM     10  CA  ALA     6      16.185  -5.590  -1.313          0.113
-ATOM     11  CB  ALA     6      16.925  -5.409  -1.347          0.065
-ATOM     12  CA  ALA     7      14.892  -7.669   1.418          0.235
-ATOM     13  CB  ALA     7      14.913  -7.602  -4.401          0.098
-ATOM     14  CA  ALA     8      14.262 -10.390  -1.114          0.051
-ATOM     15  CB  ALA     8      14.585 -10.769  -1.792          0.200
-ATOM     16  CA  ALA     9      13.800 -13.926  -2.258          0.012
-ATOM     17  CB  ALA     9      14.210 -14.433  -1.773          0.005
-ATOM     18  CA  ALA    10      10.043 -13.372  -2.535          0.004
-ATOM     19  CB  ALA    10      10.008 -12.616  -2.376          0.002
-ATOM     20  CA  ALA    11       8.614 -13.987  -5.989          0.001
-ATOM     21  CB  ALA    11       8.273 -14.590  -6.222          0.001
-ATOM     22  CA  ALA    12       7.822 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.472  -9.836  -5.934          0.002
-ATOM     24  CA  ALA    13      10.029  -7.415  -7.555          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.293          0.001
-ATOM     26  CA  CYS    14       9.801  -4.105  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.112  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.563  -6.467          0.001
-ATOM     29  CB  ALA    15      10.775  -0.382  -7.165          0.001
-ATOM     30  CA  ALA    16      10.566   2.378  -4.090          0.000
-ATOM     31  CB  ALA    16      10.921   2.169  -3.472          0.001
-ATOM     32  CA  ALA    17      10.233   5.961  -5.311          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.817   7.424  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.45                                       ENERGY     6.44151E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.184  -0.604  -0.077          0.000
-ATOM      2  CA  ALA     2       3.862   0.253   0.379          0.000
-ATOM      3  CB  ALA     2       3.945   0.722   0.953          0.001
-ATOM      4  CA  ALA     3       6.746  -2.156  -0.177          0.005
-ATOM      5  CB  ALA     3       6.942  -2.676  -0.691          0.013
-ATOM      6  CA  ALA     4      10.406  -1.179  -0.046          0.004
-ATOM      7  CB  ALA     4      10.532  -0.817   0.561          0.008
-ATOM      8  CA  CYS     5      12.582  -4.215  -0.888          0.033
-ATOM      9  CB  CYS     5      12.293  -4.654  -1.947          0.003
-ATOM     10  CA  ALA     6      16.186  -5.589  -1.313          0.123
-ATOM     11  CB  ALA     6      16.924  -5.409  -1.346          0.054
-ATOM     12  CA  ALA     7      14.891  -7.670   1.415          0.231
-ATOM     13  CB  ALA     7      14.913  -7.601  -4.400          0.144
-ATOM     14  CA  ALA     8      14.262 -10.391  -1.114          0.044
-ATOM     15  CB  ALA     8      14.585 -10.769  -1.790          0.169
-ATOM     16  CA  ALA     9      13.800 -13.927  -2.257          0.009
-ATOM     17  CB  ALA     9      14.210 -14.433  -1.773          0.005
-ATOM     18  CA  ALA    10      10.043 -13.371  -2.536          0.003
-ATOM     19  CB  ALA    10      10.008 -12.616  -2.376          0.001
-ATOM     20  CA  ALA    11       8.614 -13.987  -5.989          0.000
-ATOM     21  CB  ALA    11       8.273 -14.590  -6.222          0.001
-ATOM     22  CA  ALA    12       7.822 -10.287  -6.405          0.001
-ATOM     23  CB  ALA    12       7.472  -9.836  -5.934          0.002
-ATOM     24  CA  ALA    13      10.029  -7.415  -7.555          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.293          0.001
-ATOM     26  CA  CYS    14       9.801  -4.105  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.112  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.563  -6.467          0.000
-ATOM     29  CB  ALA    15      10.775  -0.382  -7.165          0.000
-ATOM     30  CA  ALA    16      10.566   2.378  -4.090          0.000
-ATOM     31  CB  ALA    16      10.921   2.169  -3.472          0.001
-ATOM     32  CA  ALA    17      10.234   5.961  -5.311          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.817   7.424  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.45                                       ENERGY     6.43009E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.184  -0.604  -0.077          0.000
-ATOM      2  CA  ALA     2       3.862   0.253   0.379          0.000
-ATOM      3  CB  ALA     2       3.945   0.722   0.953          0.001
-ATOM      4  CA  ALA     3       6.746  -2.156  -0.177          0.004
-ATOM      5  CB  ALA     3       6.942  -2.676  -0.691          0.010
-ATOM      6  CA  ALA     4      10.406  -1.178  -0.046          0.004
-ATOM      7  CB  ALA     4      10.532  -0.817   0.561          0.007
-ATOM      8  CA  CYS     5      12.582  -4.216  -0.888          0.028
-ATOM      9  CB  CYS     5      12.293  -4.655  -1.947          0.003
-ATOM     10  CA  ALA     6      16.187  -5.588  -1.312          0.129
-ATOM     11  CB  ALA     6      16.924  -5.408  -1.346          0.046
-ATOM     12  CA  ALA     7      14.891  -7.670   1.412          0.223
-ATOM     13  CB  ALA     7      14.913  -7.600  -4.398          0.193
-ATOM     14  CA  ALA     8      14.262 -10.392  -1.114          0.037
-ATOM     15  CB  ALA     8      14.585 -10.769  -1.789          0.142
-ATOM     16  CA  ALA     9      13.800 -13.927  -2.257          0.007
-ATOM     17  CB  ALA     9      14.210 -14.434  -1.773          0.004
-ATOM     18  CA  ALA    10      10.043 -13.371  -2.536          0.003
-ATOM     19  CB  ALA    10      10.007 -12.616  -2.376          0.001
-ATOM     20  CA  ALA    11       8.614 -13.987  -5.989          0.000
-ATOM     21  CB  ALA    11       8.272 -14.590  -6.222          0.001
-ATOM     22  CA  ALA    12       7.822 -10.287  -6.405          0.000
-ATOM     23  CB  ALA    12       7.472  -9.836  -5.934          0.002
-ATOM     24  CA  ALA    13      10.029  -7.415  -7.554          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.293          0.000
-ATOM     26  CA  CYS    14       9.801  -4.105  -5.696          0.000
-ATOM     27  CB  CYS    14      10.171  -4.112  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.563  -6.467          0.000
-ATOM     29  CB  ALA    15      10.775  -0.382  -7.165          0.000
-ATOM     30  CA  ALA    16      10.566   2.378  -4.090          0.000
-ATOM     31  CB  ALA    16      10.921   2.169  -3.472          0.001
-ATOM     32  CA  ALA    17      10.234   5.961  -5.311          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.817   7.424  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.46                                       ENERGY     6.40588E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.185  -0.604  -0.077          0.001
-ATOM      2  CA  ALA     2       3.862   0.253   0.379          0.000
-ATOM      3  CB  ALA     2       3.945   0.722   0.953          0.001
-ATOM      4  CA  ALA     3       6.746  -2.156  -0.177          0.007
-ATOM      5  CB  ALA     3       6.941  -2.676  -0.692          0.019
-ATOM      6  CA  ALA     4      10.406  -1.178  -0.047          0.008
-ATOM      7  CB  ALA     4      10.532  -0.816   0.562          0.013
-ATOM      8  CA  CYS     5      12.582  -4.218  -0.888          0.045
-ATOM      9  CB  CYS     5      12.292  -4.655  -1.948          0.005
-ATOM     10  CA  ALA     6      16.190  -5.585  -1.311          0.095
-ATOM     11  CB  ALA     6      16.922  -5.406  -1.345          0.079
-ATOM     12  CA  ALA     7      14.888  -7.672   1.405          0.224
-ATOM     13  CB  ALA     7      14.913  -7.599  -4.396          0.056
-ATOM     14  CA  ALA     8      14.264 -10.395  -1.115          0.064
-ATOM     15  CB  ALA     8      14.584 -10.768  -1.784          0.248
-ATOM     16  CA  ALA     9      13.800 -13.928  -2.254          0.016
-ATOM     17  CB  ALA     9      14.209 -14.434  -1.773          0.008
-ATOM     18  CA  ALA    10      10.043 -13.369  -2.536          0.005
-ATOM     19  CB  ALA    10      10.007 -12.616  -2.376          0.002
-ATOM     20  CA  ALA    11       8.614 -13.987  -5.989          0.001
-ATOM     21  CB  ALA    11       8.272 -14.590  -6.222          0.002
-ATOM     22  CA  ALA    12       7.822 -10.288  -6.405          0.001
-ATOM     23  CB  ALA    12       7.472  -9.837  -5.933          0.003
-ATOM     24  CA  ALA    13      10.029  -7.415  -7.554          0.001
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.293          0.001
-ATOM     26  CA  CYS    14       9.800  -4.105  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.111  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.563  -6.467          0.001
-ATOM     29  CB  ALA    15      10.775  -0.382  -7.165          0.001
-ATOM     30  CA  ALA    16      10.566   2.378  -4.090          0.000
-ATOM     31  CB  ALA    16      10.921   2.169  -3.472          0.001
-ATOM     32  CA  ALA    17      10.234   5.961  -5.311          0.000
-ATOM     33  CB  ALA    17      10.482   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.817   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.47                                       ENERGY     6.39731E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.185  -0.604  -0.076          0.000
-ATOM      2  CA  ALA     2       3.862   0.253   0.379          0.000
-ATOM      3  CB  ALA     2       3.945   0.722   0.953          0.001
-ATOM      4  CA  ALA     3       6.746  -2.156  -0.177          0.006
-ATOM      5  CB  ALA     3       6.940  -2.676  -0.692          0.016
-ATOM      6  CA  ALA     4      10.407  -1.178  -0.047          0.007
-ATOM      7  CB  ALA     4      10.532  -0.816   0.562          0.011
-ATOM      8  CA  CYS     5      12.582  -4.218  -0.888          0.040
-ATOM      9  CB  CYS     5      12.292  -4.655  -1.948          0.004
-ATOM     10  CA  ALA     6      16.191  -5.583  -1.311          0.109
-ATOM     11  CB  ALA     6      16.922  -5.406  -1.344          0.068
-ATOM     12  CA  ALA     7      14.887  -7.673   1.402          0.227
-ATOM     13  CB  ALA     7      14.913  -7.598  -4.396          0.092
-ATOM     14  CA  ALA     8      14.264 -10.396  -1.116          0.056
-ATOM     15  CB  ALA     8      14.584 -10.767  -1.783          0.217
-ATOM     16  CA  ALA     9      13.800 -13.929  -2.253          0.013
-ATOM     17  CB  ALA     9      14.209 -14.435  -1.773          0.007
-ATOM     18  CA  ALA    10      10.043 -13.369  -2.536          0.005
-ATOM     19  CB  ALA    10      10.007 -12.616  -2.376          0.002
-ATOM     20  CA  ALA    11       8.614 -13.987  -5.990          0.001
-ATOM     21  CB  ALA    11       8.272 -14.589  -6.223          0.002
-ATOM     22  CA  ALA    12       7.823 -10.288  -6.405          0.001
-ATOM     23  CB  ALA    12       7.472  -9.837  -5.933          0.002
-ATOM     24  CA  ALA    13      10.029  -7.415  -7.554          0.001
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.293          0.001
-ATOM     26  CA  CYS    14       9.800  -4.105  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.111  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.563  -6.467          0.001
-ATOM     29  CB  ALA    15      10.775  -0.382  -7.165          0.001
-ATOM     30  CA  ALA    16      10.566   2.378  -4.090          0.000
-ATOM     31  CB  ALA    16      10.920   2.169  -3.472          0.001
-ATOM     32  CA  ALA    17      10.234   5.961  -5.311          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.981          0.000
-ATOM     34  CA  GLY    18       6.817   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.47                                       ENERGY     6.38738E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.185  -0.604  -0.076          0.000
-ATOM      2  CA  ALA     2       3.862   0.253   0.379          0.000
-ATOM      3  CB  ALA     2       3.946   0.722   0.953          0.001
-ATOM      4  CA  ALA     3       6.747  -2.156  -0.178          0.005
-ATOM      5  CB  ALA     3       6.940  -2.676  -0.692          0.013
-ATOM      6  CA  ALA     4      10.407  -1.177  -0.047          0.006
-ATOM      7  CB  ALA     4      10.532  -0.816   0.562          0.009
-ATOM      8  CA  CYS     5      12.583  -4.219  -0.887          0.035
-ATOM      9  CB  CYS     5      12.292  -4.655  -1.948          0.004
-ATOM     10  CA  ALA     6      16.192  -5.582  -1.310          0.120
-ATOM     11  CB  ALA     6      16.921  -5.405  -1.344          0.058
-ATOM     12  CA  ALA     7      14.886  -7.673   1.399          0.224
-ATOM     13  CB  ALA     7      14.913  -7.597  -4.395          0.142
-ATOM     14  CA  ALA     8      14.265 -10.397  -1.116          0.048
-ATOM     15  CB  ALA     8      14.584 -10.767  -1.781          0.185
-ATOM     16  CA  ALA     9      13.800 -13.930  -2.252          0.010
-ATOM     17  CB  ALA     9      14.209 -14.435  -1.773          0.006
-ATOM     18  CA  ALA    10      10.043 -13.368  -2.536          0.004
-ATOM     19  CB  ALA    10      10.007 -12.616  -2.376          0.002
-ATOM     20  CA  ALA    11       8.614 -13.988  -5.990          0.001
-ATOM     21  CB  ALA    11       8.272 -14.589  -6.223          0.001
-ATOM     22  CA  ALA    12       7.823 -10.288  -6.405          0.001
-ATOM     23  CB  ALA    12       7.473  -9.837  -5.933          0.002
-ATOM     24  CA  ALA    13      10.030  -7.415  -7.554          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.292          0.001
-ATOM     26  CA  CYS    14       9.800  -4.105  -5.696          0.001
-ATOM     27  CB  CYS    14      10.171  -4.111  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.563  -6.467          0.000
-ATOM     29  CB  ALA    15      10.775  -0.382  -7.165          0.000
-ATOM     30  CA  ALA    16      10.566   2.377  -4.090          0.000
-ATOM     31  CB  ALA    16      10.920   2.169  -3.472          0.001
-ATOM     32  CA  ALA    17      10.234   5.961  -5.311          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.817   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.47                                       ENERGY     6.37633E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.185  -0.604  -0.076          0.000
-ATOM      2  CA  ALA     2       3.861   0.253   0.379          0.000
-ATOM      3  CB  ALA     2       3.946   0.722   0.953          0.001
-ATOM      4  CA  ALA     3       6.747  -2.155  -0.178          0.004
-ATOM      5  CB  ALA     3       6.939  -2.676  -0.692          0.011
-ATOM      6  CA  ALA     4      10.407  -1.177  -0.048          0.005
-ATOM      7  CB  ALA     4      10.532  -0.815   0.562          0.007
-ATOM      8  CA  CYS     5      12.583  -4.220  -0.887          0.030
-ATOM      9  CB  CYS     5      12.292  -4.655  -1.948          0.003
-ATOM     10  CA  ALA     6      16.193  -5.581  -1.310          0.127
-ATOM     11  CB  ALA     6      16.921  -5.405  -1.343          0.048
-ATOM     12  CA  ALA     7      14.885  -7.674   1.396          0.217
-ATOM     13  CB  ALA     7      14.913  -7.597  -4.393          0.197
-ATOM     14  CA  ALA     8      14.265 -10.398  -1.116          0.040
-ATOM     15  CB  ALA     8      14.584 -10.766  -1.780          0.154
-ATOM     16  CA  ALA     9      13.801 -13.930  -2.251          0.008
-ATOM     17  CB  ALA     9      14.209 -14.435  -1.773          0.005
-ATOM     18  CA  ALA    10      10.043 -13.368  -2.536          0.003
-ATOM     19  CB  ALA    10      10.007 -12.616  -2.376          0.001
-ATOM     20  CA  ALA    11       8.614 -13.988  -5.990          0.000
-ATOM     21  CB  ALA    11       8.272 -14.589  -6.223          0.001
-ATOM     22  CA  ALA    12       7.823 -10.288  -6.405          0.000
-ATOM     23  CB  ALA    12       7.473  -9.837  -5.933          0.002
-ATOM     24  CA  ALA    13      10.030  -7.415  -7.554          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.292          0.000
-ATOM     26  CA  CYS    14       9.800  -4.105  -5.696          0.000
-ATOM     27  CB  CYS    14      10.171  -4.111  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.564  -6.467          0.000
-ATOM     29  CB  ALA    15      10.775  -0.382  -7.165          0.000
-ATOM     30  CA  ALA    16      10.566   2.377  -4.090          0.000
-ATOM     31  CB  ALA    16      10.920   2.169  -3.472          0.001
-ATOM     32  CA  ALA    17      10.234   5.961  -5.310          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.817   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.48                                       ENERGY     6.34877E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.185  -0.604  -0.076          0.001
-ATOM      2  CA  ALA     2       3.861   0.253   0.379          0.000
-ATOM      3  CB  ALA     2       3.946   0.721   0.953          0.001
-ATOM      4  CA  ALA     3       6.747  -2.155  -0.178          0.007
-ATOM      5  CB  ALA     3       6.938  -2.676  -0.692          0.020
-ATOM      6  CA  ALA     4      10.407  -1.177  -0.048          0.010
-ATOM      7  CB  ALA     4      10.533  -0.814   0.563          0.013
-ATOM      8  CA  CYS     5      12.583  -4.221  -0.887          0.049
-ATOM      9  CB  CYS     5      12.292  -4.656  -1.949          0.005
-ATOM     10  CA  ALA     6      16.195  -5.578  -1.309          0.090
-ATOM     11  CB  ALA     6      16.919  -5.403  -1.342          0.082
-ATOM     12  CA  ALA     7      14.883  -7.675   1.389          0.208
-ATOM     13  CB  ALA     7      14.912  -7.596  -4.390          0.045
-ATOM     14  CA  ALA     8      14.266 -10.400  -1.117          0.070
-ATOM     15  CB  ALA     8      14.584 -10.765  -1.775          0.266
-ATOM     16  CA  ALA     9      13.801 -13.932  -2.249          0.018
-ATOM     17  CB  ALA     9      14.208 -14.436  -1.774          0.009
-ATOM     18  CA  ALA    10      10.043 -13.366  -2.537          0.006
-ATOM     19  CB  ALA    10      10.006 -12.616  -2.376          0.002
-ATOM     20  CA  ALA    11       8.613 -13.988  -5.990          0.001
-ATOM     21  CB  ALA    11       8.272 -14.589  -6.223          0.002
-ATOM     22  CA  ALA    12       7.823 -10.288  -6.405          0.001
-ATOM     23  CB  ALA    12       7.473  -9.837  -5.933          0.003
-ATOM     24  CA  ALA    13      10.030  -7.415  -7.554          0.001
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.292          0.001
-ATOM     26  CA  CYS    14       9.799  -4.105  -5.696          0.001
-ATOM     27  CB  CYS    14      10.170  -4.111  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.564  -6.467          0.001
-ATOM     29  CB  ALA    15      10.775  -0.382  -7.165          0.001
-ATOM     30  CA  ALA    16      10.566   2.377  -4.090          0.000
-ATOM     31  CB  ALA    16      10.920   2.169  -3.472          0.001
-ATOM     32  CA  ALA    17      10.234   5.961  -5.310          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.818   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.49                                       ENERGY     6.34096E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.185  -0.604  -0.076          0.000
-ATOM      2  CA  ALA     2       3.861   0.252   0.379          0.000
-ATOM      3  CB  ALA     2       3.946   0.721   0.953          0.001
-ATOM      4  CA  ALA     3       6.747  -2.155  -0.178          0.006
-ATOM      5  CB  ALA     3       6.938  -2.676  -0.692          0.017
-ATOM      6  CA  ALA     4      10.408  -1.177  -0.048          0.009
-ATOM      7  CB  ALA     4      10.533  -0.814   0.563          0.012
-ATOM      8  CA  CYS     5      12.583  -4.222  -0.886          0.044
-ATOM      9  CB  CYS     5      12.291  -4.656  -1.949          0.005
-ATOM     10  CA  ALA     6      16.196  -5.576  -1.309          0.105
-ATOM     11  CB  ALA     6      16.919  -5.402  -1.342          0.073
-ATOM     12  CA  ALA     7      14.882  -7.676   1.386          0.214
-ATOM     13  CB  ALA     7      14.912  -7.595  -4.389          0.082
-ATOM     14  CA  ALA     8      14.267 -10.401  -1.118          0.063
-ATOM     15  CB  ALA     8      14.583 -10.764  -1.774          0.237
-ATOM     16  CA  ALA     9      13.801 -13.932  -2.248          0.015
-ATOM     17  CB  ALA     9      14.208 -14.436  -1.774          0.008
-ATOM     18  CA  ALA    10      10.043 -13.366  -2.537          0.006
-ATOM     19  CB  ALA    10      10.006 -12.616  -2.376          0.002
-ATOM     20  CA  ALA    11       8.613 -13.988  -5.990          0.001
-ATOM     21  CB  ALA    11       8.271 -14.589  -6.223          0.002
-ATOM     22  CA  ALA    12       7.823 -10.288  -6.405          0.001
-ATOM     23  CB  ALA    12       7.473  -9.837  -5.933          0.002
-ATOM     24  CA  ALA    13      10.030  -7.415  -7.554          0.001
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.292          0.001
-ATOM     26  CA  CYS    14       9.799  -4.105  -5.696          0.001
-ATOM     27  CB  CYS    14      10.170  -4.111  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.564  -6.467          0.001
-ATOM     29  CB  ALA    15      10.775  -0.381  -7.165          0.001
-ATOM     30  CA  ALA    16      10.566   2.377  -4.090          0.000
-ATOM     31  CB  ALA    16      10.920   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.234   5.961  -5.310          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.818   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.49                                       ENERGY     6.33172E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.185  -0.604  -0.076          0.000
-ATOM      2  CA  ALA     2       3.861   0.252   0.379          0.000
-ATOM      3  CB  ALA     2       3.946   0.721   0.953          0.001
-ATOM      4  CA  ALA     3       6.747  -2.155  -0.178          0.005
-ATOM      5  CB  ALA     3       6.937  -2.676  -0.692          0.014
-ATOM      6  CA  ALA     4      10.408  -1.177  -0.049          0.008
-ATOM      7  CB  ALA     4      10.533  -0.814   0.563          0.010
-ATOM      8  CA  CYS     5      12.584  -4.223  -0.886          0.039
-ATOM      9  CB  CYS     5      12.291  -4.656  -1.949          0.004
-ATOM     10  CA  ALA     6      16.197  -5.575  -1.308          0.117
-ATOM     11  CB  ALA     6      16.918  -5.401  -1.342          0.062
-ATOM     12  CA  ALA     7      14.881  -7.677   1.384          0.214
-ATOM     13  CB  ALA     7      14.912  -7.595  -4.388          0.135
-ATOM     14  CA  ALA     8      14.268 -10.402  -1.118          0.054
-ATOM     15  CB  ALA     8      14.583 -10.764  -1.772          0.204
-ATOM     16  CA  ALA     9      13.801 -13.933  -2.247          0.012
-ATOM     17  CB  ALA     9      14.208 -14.436  -1.774          0.007
-ATOM     18  CA  ALA    10      10.043 -13.365  -2.537          0.005
-ATOM     19  CB  ALA    10      10.006 -12.617  -2.375          0.002
-ATOM     20  CA  ALA    11       8.613 -13.988  -5.990          0.001
-ATOM     21  CB  ALA    11       8.271 -14.589  -6.223          0.002
-ATOM     22  CA  ALA    12       7.823 -10.288  -6.405          0.001
-ATOM     23  CB  ALA    12       7.473  -9.837  -5.933          0.002
-ATOM     24  CA  ALA    13      10.030  -7.415  -7.553          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.292          0.001
-ATOM     26  CA  CYS    14       9.799  -4.105  -5.695          0.001
-ATOM     27  CB  CYS    14      10.170  -4.111  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.564  -6.467          0.000
-ATOM     29  CB  ALA    15      10.775  -0.381  -7.165          0.001
-ATOM     30  CA  ALA    16      10.566   2.377  -4.090          0.000
-ATOM     31  CB  ALA    16      10.920   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.234   5.961  -5.310          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.818   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.49                                       ENERGY     6.32126E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.185  -0.604  -0.076          0.000
-ATOM      2  CA  ALA     2       3.861   0.252   0.379          0.000
-ATOM      3  CB  ALA     2       3.946   0.721   0.953          0.001
-ATOM      4  CA  ALA     3       6.747  -2.155  -0.178          0.004
-ATOM      5  CB  ALA     3       6.937  -2.676  -0.692          0.012
-ATOM      6  CA  ALA     4      10.408  -1.176  -0.049          0.007
-ATOM      7  CB  ALA     4      10.533  -0.813   0.563          0.008
-ATOM      8  CA  CYS     5      12.584  -4.223  -0.886          0.033
-ATOM      9  CB  CYS     5      12.291  -4.656  -1.949          0.003
-ATOM     10  CA  ALA     6      16.198  -5.574  -1.308          0.125
-ATOM     11  CB  ALA     6      16.918  -5.401  -1.341          0.052
-ATOM     12  CA  ALA     7      14.881  -7.677   1.381          0.211
-ATOM     13  CB  ALA     7      14.912  -7.594  -4.386          0.196
-ATOM     14  CA  ALA     8      14.268 -10.403  -1.118          0.046
-ATOM     15  CB  ALA     8      14.583 -10.763  -1.771          0.172
-ATOM     16  CA  ALA     9      13.801 -13.934  -2.246          0.010
-ATOM     17  CB  ALA     9      14.208 -14.436  -1.774          0.006
-ATOM     18  CA  ALA    10      10.043 -13.365  -2.537          0.004
-ATOM     19  CB  ALA    10      10.006 -12.617  -2.375          0.001
-ATOM     20  CA  ALA    11       8.613 -13.988  -5.990          0.001
-ATOM     21  CB  ALA    11       8.271 -14.589  -6.223          0.001
-ATOM     22  CA  ALA    12       7.823 -10.288  -6.405          0.001
-ATOM     23  CB  ALA    12       7.473  -9.838  -5.933          0.002
-ATOM     24  CA  ALA    13      10.030  -7.415  -7.553          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.292          0.000
-ATOM     26  CA  CYS    14       9.799  -4.105  -5.695          0.000
-ATOM     27  CB  CYS    14      10.170  -4.111  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.564  -6.467          0.000
-ATOM     29  CB  ALA    15      10.775  -0.381  -7.165          0.000
-ATOM     30  CA  ALA    16      10.566   2.377  -4.090          0.000
-ATOM     31  CB  ALA    16      10.920   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.234   5.961  -5.310          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.818   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.50                                       ENERGY     6.30984E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.185  -0.604  -0.076          0.000
-ATOM      2  CA  ALA     2       3.861   0.252   0.379          0.000
-ATOM      3  CB  ALA     2       3.946   0.721   0.953          0.001
-ATOM      4  CA  ALA     3       6.747  -2.154  -0.178          0.003
-ATOM      5  CB  ALA     3       6.937  -2.676  -0.692          0.009
-ATOM      6  CA  ALA     4      10.408  -1.176  -0.049          0.006
-ATOM      7  CB  ALA     4      10.533  -0.813   0.563          0.006
-ATOM      8  CA  CYS     5      12.584  -4.224  -0.885          0.028
-ATOM      9  CB  CYS     5      12.291  -4.656  -1.949          0.003
-ATOM     10  CA  ALA     6      16.199  -5.572  -1.308          0.131
-ATOM     11  CB  ALA     6      16.917  -5.400  -1.341          0.043
-ATOM     12  CA  ALA     7      14.880  -7.678   1.378          0.205
-ATOM     13  CB  ALA     7      14.912  -7.594  -4.385          0.255
-ATOM     14  CA  ALA     8      14.268 -10.403  -1.119          0.038
-ATOM     15  CB  ALA     8      14.583 -10.763  -1.769          0.143
-ATOM     16  CA  ALA     9      13.801 -13.934  -2.245          0.008
-ATOM     17  CB  ALA     9      14.208 -14.437  -1.774          0.005
-ATOM     18  CA  ALA    10      10.043 -13.364  -2.537          0.003
-ATOM     19  CB  ALA    10      10.006 -12.617  -2.375          0.001
-ATOM     20  CA  ALA    11       8.613 -13.988  -5.990          0.000
-ATOM     21  CB  ALA    11       8.271 -14.589  -6.223          0.001
-ATOM     22  CA  ALA    12       7.823 -10.288  -6.405          0.000
-ATOM     23  CB  ALA    12       7.473  -9.838  -5.933          0.001
-ATOM     24  CA  ALA    13      10.030  -7.415  -7.553          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.292          0.000
-ATOM     26  CA  CYS    14       9.799  -4.105  -5.695          0.000
-ATOM     27  CB  CYS    14      10.170  -4.110  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.564  -6.467          0.000
-ATOM     29  CB  ALA    15      10.775  -0.381  -7.165          0.000
-ATOM     30  CA  ALA    16      10.566   2.377  -4.090          0.000
-ATOM     31  CB  ALA    16      10.920   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.234   5.961  -5.310          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.818   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.51                                       ENERGY     6.28291E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.186  -0.604  -0.075          0.000
-ATOM      2  CA  ALA     2       3.861   0.252   0.379          0.000
-ATOM      3  CB  ALA     2       3.946   0.721   0.953          0.001
-ATOM      4  CA  ALA     3       6.747  -2.154  -0.179          0.007
-ATOM      5  CB  ALA     3       6.936  -2.676  -0.692          0.019
-ATOM      6  CA  ALA     4      10.409  -1.176  -0.050          0.013
-ATOM      7  CB  ALA     4      10.533  -0.812   0.564          0.013
-ATOM      8  CA  CYS     5      12.585  -4.225  -0.885          0.051
-ATOM      9  CB  CYS     5      12.291  -4.657  -1.949          0.005
-ATOM     10  CA  ALA     6      16.201  -5.569  -1.307          0.095
-ATOM     11  CB  ALA     6      16.916  -5.398  -1.340          0.079
-ATOM     12  CA  ALA     7      14.878  -7.679   1.372          0.193
-ATOM     13  CB  ALA     7      14.912  -7.593  -4.381          0.062
-ATOM     14  CA  ALA     8      14.270 -10.405  -1.120          0.072
-ATOM     15  CB  ALA     8      14.583 -10.761  -1.765          0.262
-ATOM     16  CA  ALA     9      13.801 -13.936  -2.243          0.019
-ATOM     17  CB  ALA     9      14.207 -14.437  -1.774          0.011
-ATOM     18  CA  ALA    10      10.043 -13.363  -2.537          0.007
-ATOM     19  CB  ALA    10      10.006 -12.617  -2.375          0.002
-ATOM     20  CA  ALA    11       8.613 -13.988  -5.991          0.001
-ATOM     21  CB  ALA    11       8.271 -14.589  -6.224          0.002
-ATOM     22  CA  ALA    12       7.823 -10.288  -6.406          0.001
-ATOM     23  CB  ALA    12       7.473  -9.838  -5.932          0.003
-ATOM     24  CA  ALA    13      10.030  -7.415  -7.553          0.001
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.292          0.001
-ATOM     26  CA  CYS    14       9.798  -4.105  -5.695          0.001
-ATOM     27  CB  CYS    14      10.170  -4.110  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.564  -6.467          0.001
-ATOM     29  CB  ALA    15      10.775  -0.381  -7.165          0.001
-ATOM     30  CA  ALA    16      10.565   2.377  -4.090          0.000
-ATOM     31  CB  ALA    16      10.920   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.234   5.961  -5.310          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.818   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.51                                       ENERGY     6.27495E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.186  -0.604  -0.075          0.000
-ATOM      2  CA  ALA     2       3.861   0.252   0.379          0.000
-ATOM      3  CB  ALA     2       3.947   0.721   0.953          0.001
-ATOM      4  CA  ALA     3       6.747  -2.154  -0.179          0.006
-ATOM      5  CB  ALA     3       6.935  -2.676  -0.693          0.016
-ATOM      6  CA  ALA     4      10.409  -1.176  -0.050          0.011
-ATOM      7  CB  ALA     4      10.533  -0.812   0.564          0.011
-ATOM      8  CA  CYS     5      12.585  -4.226  -0.884          0.045
-ATOM      9  CB  CYS     5      12.291  -4.657  -1.950          0.005
-ATOM     10  CA  ALA     6      16.202  -5.567  -1.307          0.108
-ATOM     11  CB  ALA     6      16.916  -5.398  -1.340          0.070
-ATOM     12  CA  ALA     7      14.877  -7.680   1.369          0.199
-ATOM     13  CB  ALA     7      14.911  -7.593  -4.380          0.111
-ATOM     14  CA  ALA     8      14.270 -10.406  -1.120          0.064
-ATOM     15  CB  ALA     8      14.583 -10.761  -1.764          0.232
-ATOM     16  CA  ALA     9      13.801 -13.937  -2.242          0.016
-ATOM     17  CB  ALA     9      14.207 -14.438  -1.774          0.010
-ATOM     18  CA  ALA    10      10.043 -13.362  -2.538          0.006
-ATOM     19  CB  ALA    10      10.005 -12.617  -2.375          0.002
-ATOM     20  CA  ALA    11       8.613 -13.988  -5.991          0.001
-ATOM     21  CB  ALA    11       8.271 -14.589  -6.224          0.002
-ATOM     22  CA  ALA    12       7.823 -10.288  -6.406          0.001
-ATOM     23  CB  ALA    12       7.473  -9.838  -5.932          0.002
-ATOM     24  CA  ALA    13      10.031  -7.415  -7.553          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.292          0.001
-ATOM     26  CA  CYS    14       9.798  -4.105  -5.695          0.001
-ATOM     27  CB  CYS    14      10.170  -4.110  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.564  -6.467          0.001
-ATOM     29  CB  ALA    15      10.776  -0.381  -7.165          0.001
-ATOM     30  CA  ALA    16      10.565   2.377  -4.090          0.000
-ATOM     31  CB  ALA    16      10.920   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.234   5.961  -5.310          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.818   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.52                                       ENERGY     6.26562E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.186  -0.604  -0.075          0.000
-ATOM      2  CA  ALA     2       3.861   0.252   0.379          0.000
-ATOM      3  CB  ALA     2       3.947   0.721   0.953          0.001
-ATOM      4  CA  ALA     3       6.748  -2.154  -0.179          0.005
-ATOM      5  CB  ALA     3       6.935  -2.676  -0.693          0.014
-ATOM      6  CA  ALA     4      10.409  -1.176  -0.050          0.010
-ATOM      7  CB  ALA     4      10.534  -0.812   0.564          0.009
-ATOM      8  CA  CYS     5      12.585  -4.227  -0.884          0.039
-ATOM      9  CB  CYS     5      12.291  -4.657  -1.950          0.004
-ATOM     10  CA  ALA     6      16.203  -5.566  -1.307          0.118
-ATOM     11  CB  ALA     6      16.915  -5.397  -1.339          0.059
-ATOM     12  CA  ALA     7      14.876  -7.681   1.367          0.200
-ATOM     13  CB  ALA     7      14.911  -7.592  -4.378          0.172
-ATOM     14  CA  ALA     8      14.271 -10.407  -1.121          0.055
-ATOM     15  CB  ALA     8      14.582 -10.760  -1.762          0.199
-ATOM     16  CA  ALA     9      13.801 -13.938  -2.241          0.013
-ATOM     17  CB  ALA     9      14.207 -14.438  -1.774          0.008
-ATOM     18  CA  ALA    10      10.043 -13.362  -2.538          0.005
-ATOM     19  CB  ALA    10      10.005 -12.617  -2.375          0.002
-ATOM     20  CA  ALA    11       8.613 -13.988  -5.991          0.001
-ATOM     21  CB  ALA    11       8.271 -14.589  -6.224          0.002
-ATOM     22  CA  ALA    12       7.824 -10.288  -6.406          0.001
-ATOM     23  CB  ALA    12       7.474  -9.838  -5.932          0.002
-ATOM     24  CA  ALA    13      10.031  -7.415  -7.553          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.291          0.000
-ATOM     26  CA  CYS    14       9.798  -4.105  -5.695          0.001
-ATOM     27  CB  CYS    14      10.170  -4.110  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.564  -6.467          0.000
-ATOM     29  CB  ALA    15      10.776  -0.381  -7.165          0.001
-ATOM     30  CA  ALA    16      10.565   2.377  -4.090          0.000
-ATOM     31  CB  ALA    16      10.919   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.234   5.961  -5.310          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.818   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.52                                       ENERGY     6.25515E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.186  -0.604  -0.075          0.000
-ATOM      2  CA  ALA     2       3.861   0.252   0.379          0.000
-ATOM      3  CB  ALA     2       3.947   0.721   0.953          0.001
-ATOM      4  CA  ALA     3       6.748  -2.154  -0.179          0.004
-ATOM      5  CB  ALA     3       6.934  -2.676  -0.693          0.011
-ATOM      6  CA  ALA     4      10.409  -1.176  -0.051          0.008
-ATOM      7  CB  ALA     4      10.534  -0.811   0.564          0.007
-ATOM      8  CA  CYS     5      12.586  -4.227  -0.884          0.034
-ATOM      9  CB  CYS     5      12.290  -4.657  -1.950          0.003
-ATOM     10  CA  ALA     6      16.204  -5.565  -1.307          0.126
-ATOM     11  CB  ALA     6      16.915  -5.396  -1.339          0.050
-ATOM     12  CA  ALA     7      14.875  -7.681   1.364          0.198
-ATOM     13  CB  ALA     7      14.911  -7.592  -4.377          0.236
-ATOM     14  CA  ALA     8      14.271 -10.408  -1.121          0.047
-ATOM     15  CB  ALA     8      14.582 -10.759  -1.761          0.168
-ATOM     16  CA  ALA     9      13.801 -13.939  -2.240          0.010
-ATOM     17  CB  ALA     9      14.207 -14.438  -1.775          0.007
-ATOM     18  CA  ALA    10      10.043 -13.361  -2.538          0.004
-ATOM     19  CB  ALA    10      10.005 -12.617  -2.375          0.001
-ATOM     20  CA  ALA    11       8.613 -13.989  -5.991          0.001
-ATOM     21  CB  ALA    11       8.270 -14.589  -6.224          0.001
-ATOM     22  CA  ALA    12       7.824 -10.288  -6.406          0.000
-ATOM     23  CB  ALA    12       7.474  -9.838  -5.932          0.001
-ATOM     24  CA  ALA    13      10.031  -7.415  -7.553          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.291          0.000
-ATOM     26  CA  CYS    14       9.798  -4.105  -5.695          0.000
-ATOM     27  CB  CYS    14      10.170  -4.110  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.565  -6.467          0.000
-ATOM     29  CB  ALA    15      10.776  -0.381  -7.164          0.000
-ATOM     30  CA  ALA    16      10.565   2.376  -4.090          0.000
-ATOM     31  CB  ALA    16      10.919   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.235   5.961  -5.310          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.818   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.52                                       ENERGY     6.24374E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.186  -0.604  -0.075          0.000
-ATOM      2  CA  ALA     2       3.861   0.252   0.379          0.000
-ATOM      3  CB  ALA     2       3.947   0.721   0.953          0.001
-ATOM      4  CA  ALA     3       6.748  -2.154  -0.179          0.003
-ATOM      5  CB  ALA     3       6.934  -2.676  -0.693          0.009
-ATOM      6  CA  ALA     4      10.410  -1.176  -0.051          0.007
-ATOM      7  CB  ALA     4      10.534  -0.811   0.564          0.006
-ATOM      8  CA  CYS     5      12.586  -4.228  -0.884          0.028
-ATOM      9  CB  CYS     5      12.290  -4.657  -1.950          0.003
-ATOM     10  CA  ALA     6      16.205  -5.563  -1.307          0.131
-ATOM     11  CB  ALA     6      16.914  -5.396  -1.339          0.041
-ATOM     12  CA  ALA     7      14.874  -7.682   1.362          0.192
-ATOM     13  CB  ALA     7      14.911  -7.592  -4.375          0.295
-ATOM     14  CA  ALA     8      14.272 -10.408  -1.122          0.039
-ATOM     15  CB  ALA     8      14.582 -10.759  -1.759          0.139
-ATOM     16  CA  ALA     9      13.801 -13.939  -2.240          0.008
-ATOM     17  CB  ALA     9      14.206 -14.438  -1.775          0.006
-ATOM     18  CA  ALA    10      10.043 -13.361  -2.538          0.004
-ATOM     19  CB  ALA    10      10.005 -12.617  -2.375          0.001
-ATOM     20  CA  ALA    11       8.613 -13.989  -5.991          0.000
-ATOM     21  CB  ALA    11       8.270 -14.589  -6.224          0.001
-ATOM     22  CA  ALA    12       7.824 -10.288  -6.406          0.000
-ATOM     23  CB  ALA    12       7.474  -9.838  -5.932          0.001
-ATOM     24  CA  ALA    13      10.031  -7.415  -7.553          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.291          0.000
-ATOM     26  CA  CYS    14       9.797  -4.105  -5.695          0.000
-ATOM     27  CB  CYS    14      10.170  -4.110  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.565  -6.467          0.000
-ATOM     29  CB  ALA    15      10.776  -0.381  -7.164          0.000
-ATOM     30  CA  ALA    16      10.565   2.376  -4.090          0.000
-ATOM     31  CB  ALA    16      10.919   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.235   5.961  -5.310          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.818   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.53                                       ENERGY     6.21620E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.186  -0.604  -0.075          0.000
-ATOM      2  CA  ALA     2       3.860   0.252   0.379          0.000
-ATOM      3  CB  ALA     2       3.947   0.721   0.953          0.001
-ATOM      4  CA  ALA     3       6.748  -2.153  -0.180          0.007
-ATOM      5  CB  ALA     3       6.933  -2.676  -0.693          0.018
-ATOM      6  CA  ALA     4      10.410  -1.176  -0.052          0.015
-ATOM      7  CB  ALA     4      10.534  -0.811   0.565          0.011
-ATOM      8  CA  CYS     5      12.587  -4.229  -0.883          0.052
-ATOM      9  CB  CYS     5      12.290  -4.658  -1.950          0.005
-ATOM     10  CA  ALA     6      16.206  -5.560  -1.307          0.092
-ATOM     11  CB  ALA     6      16.913  -5.394  -1.338          0.074
-ATOM     12  CA  ALA     7      14.872  -7.683   1.355          0.165
-ATOM     13  CB  ALA     7      14.911  -7.592  -4.370          0.078
-ATOM     14  CA  ALA     8      14.273 -10.410  -1.123          0.073
-ATOM     15  CB  ALA     8      14.582 -10.757  -1.756          0.247
-ATOM     16  CA  ALA     9      13.801 -13.941  -2.238          0.019
-ATOM     17  CB  ALA     9      14.206 -14.439  -1.775          0.012
-ATOM     18  CA  ALA    10      10.044 -13.359  -2.538          0.007
-ATOM     19  CB  ALA    10      10.005 -12.618  -2.375          0.002
-ATOM     20  CA  ALA    11       8.612 -13.989  -5.991          0.001
-ATOM     21  CB  ALA    11       8.270 -14.589  -6.224          0.002
-ATOM     22  CA  ALA    12       7.824 -10.288  -6.406          0.001
-ATOM     23  CB  ALA    12       7.474  -9.839  -5.932          0.002
-ATOM     24  CA  ALA    13      10.031  -7.415  -7.552          0.001
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.291          0.001
-ATOM     26  CA  CYS    14       9.797  -4.105  -5.695          0.001
-ATOM     27  CB  CYS    14      10.170  -4.110  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.565  -6.467          0.001
-ATOM     29  CB  ALA    15      10.776  -0.381  -7.164          0.001
-ATOM     30  CA  ALA    16      10.565   2.376  -4.090          0.000
-ATOM     31  CB  ALA    16      10.919   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.235   5.960  -5.310          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.818   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.54                                       ENERGY     6.20851E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.186  -0.604  -0.075          0.000
-ATOM      2  CA  ALA     2       3.860   0.252   0.379          0.000
-ATOM      3  CB  ALA     2       3.947   0.721   0.953          0.001
-ATOM      4  CA  ALA     3       6.748  -2.153  -0.180          0.006
-ATOM      5  CB  ALA     3       6.932  -2.676  -0.693          0.016
-ATOM      6  CA  ALA     4      10.410  -1.176  -0.052          0.014
-ATOM      7  CB  ALA     4      10.534  -0.810   0.565          0.010
-ATOM      8  CA  CYS     5      12.587  -4.230  -0.882          0.049
-ATOM      9  CB  CYS     5      12.290  -4.658  -1.951          0.005
-ATOM     10  CA  ALA     6      16.207  -5.558  -1.307          0.108
-ATOM     11  CB  ALA     6      16.913  -5.393  -1.338          0.069
-ATOM     12  CA  ALA     7      14.871  -7.684   1.353          0.179
-ATOM     13  CB  ALA     7      14.910  -7.592  -4.369          0.136
-ATOM     14  CA  ALA     8      14.274 -10.411  -1.123          0.068
-ATOM     15  CB  ALA     8      14.582 -10.756  -1.754          0.231
-ATOM     16  CA  ALA     9      13.801 -13.942  -2.236          0.017
-ATOM     17  CB  ALA     9      14.206 -14.439  -1.775          0.012
-ATOM     18  CA  ALA    10      10.044 -13.359  -2.538          0.007
-ATOM     19  CB  ALA    10      10.005 -12.618  -2.375          0.002
-ATOM     20  CA  ALA    11       8.612 -13.989  -5.991          0.001
-ATOM     21  CB  ALA    11       8.270 -14.589  -6.224          0.002
-ATOM     22  CA  ALA    12       7.824 -10.288  -6.406          0.001
-ATOM     23  CB  ALA    12       7.474  -9.839  -5.932          0.002
-ATOM     24  CA  ALA    13      10.031  -7.415  -7.552          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.291          0.001
-ATOM     26  CA  CYS    14       9.797  -4.105  -5.695          0.001
-ATOM     27  CB  CYS    14      10.170  -4.109  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.565  -6.467          0.000
-ATOM     29  CB  ALA    15      10.776  -0.381  -7.164          0.001
-ATOM     30  CA  ALA    16      10.565   2.376  -4.090          0.000
-ATOM     31  CB  ALA    16      10.919   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.235   5.960  -5.310          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.818   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.54                                       ENERGY     6.19948E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.186  -0.604  -0.075          0.000
-ATOM      2  CA  ALA     2       3.860   0.252   0.380          0.000
-ATOM      3  CB  ALA     2       3.947   0.720   0.953          0.001
-ATOM      4  CA  ALA     3       6.748  -2.153  -0.180          0.005
-ATOM      5  CB  ALA     3       6.932  -2.676  -0.693          0.014
-ATOM      6  CA  ALA     4      10.411  -1.176  -0.052          0.012
-ATOM      7  CB  ALA     4      10.534  -0.810   0.565          0.009
-ATOM      8  CA  CYS     5      12.587  -4.230  -0.882          0.042
-ATOM      9  CB  CYS     5      12.290  -4.658  -1.951          0.004
-ATOM     10  CA  ALA     6      16.208  -5.556  -1.307          0.118
-ATOM     11  CB  ALA     6      16.912  -5.393  -1.337          0.059
-ATOM     12  CA  ALA     7      14.870  -7.684   1.351          0.183
-ATOM     13  CB  ALA     7      14.910  -7.591  -4.368          0.201
-ATOM     14  CA  ALA     8      14.274 -10.412  -1.124          0.059
-ATOM     15  CB  ALA     8      14.582 -10.756  -1.753          0.200
-ATOM     16  CA  ALA     9      13.801 -13.943  -2.236          0.015
-ATOM     17  CB  ALA     9      14.205 -14.439  -1.775          0.010
-ATOM     18  CA  ALA    10      10.044 -13.358  -2.538          0.006
-ATOM     19  CB  ALA    10      10.005 -12.618  -2.375          0.002
-ATOM     20  CA  ALA    11       8.612 -13.989  -5.992          0.001
-ATOM     21  CB  ALA    11       8.270 -14.589  -6.224          0.002
-ATOM     22  CA  ALA    12       7.824 -10.288  -6.406          0.001
-ATOM     23  CB  ALA    12       7.474  -9.839  -5.932          0.002
-ATOM     24  CA  ALA    13      10.031  -7.415  -7.552          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.291          0.000
-ATOM     26  CA  CYS    14       9.797  -4.105  -5.695          0.000
-ATOM     27  CB  CYS    14      10.170  -4.109  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.565  -6.467          0.000
-ATOM     29  CB  ALA    15      10.776  -0.381  -7.164          0.001
-ATOM     30  CA  ALA    16      10.565   2.376  -4.090          0.000
-ATOM     31  CB  ALA    16      10.919   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.235   5.960  -5.309          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.819   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.54                                       ENERGY     6.18929E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.186  -0.604  -0.074          0.000
-ATOM      2  CA  ALA     2       3.860   0.252   0.380          0.000
-ATOM      3  CB  ALA     2       3.947   0.720   0.953          0.001
-ATOM      4  CA  ALA     3       6.748  -2.153  -0.180          0.004
-ATOM      5  CB  ALA     3       6.932  -2.676  -0.693          0.011
-ATOM      6  CA  ALA     4      10.411  -1.176  -0.052          0.010
-ATOM      7  CB  ALA     4      10.534  -0.810   0.565          0.007
-ATOM      8  CA  CYS     5      12.588  -4.231  -0.882          0.036
-ATOM      9  CB  CYS     5      12.290  -4.658  -1.951          0.004
-ATOM     10  CA  ALA     6      16.209  -5.555  -1.307          0.126
-ATOM     11  CB  ALA     6      16.912  -5.392  -1.337          0.050
-ATOM     12  CA  ALA     7      14.870  -7.685   1.349          0.183
-ATOM     13  CB  ALA     7      14.910  -7.591  -4.366          0.269
-ATOM     14  CA  ALA     8      14.275 -10.413  -1.125          0.049
-ATOM     15  CB  ALA     8      14.582 -10.755  -1.751          0.168
-ATOM     16  CA  ALA     9      13.801 -13.944  -2.235          0.012
-ATOM     17  CB  ALA     9      14.205 -14.440  -1.775          0.009
-ATOM     18  CA  ALA    10      10.044 -13.358  -2.538          0.005
-ATOM     19  CB  ALA    10      10.005 -12.618  -2.375          0.002
-ATOM     20  CA  ALA    11       8.612 -13.989  -5.992          0.001
-ATOM     21  CB  ALA    11       8.270 -14.589  -6.225          0.002
-ATOM     22  CA  ALA    12       7.824 -10.288  -6.406          0.000
-ATOM     23  CB  ALA    12       7.474  -9.839  -5.932          0.001
-ATOM     24  CA  ALA    13      10.031  -7.415  -7.552          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.291          0.000
-ATOM     26  CA  CYS    14       9.796  -4.105  -5.695          0.000
-ATOM     27  CB  CYS    14      10.170  -4.109  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.565  -6.466          0.000
-ATOM     29  CB  ALA    15      10.776  -0.380  -7.164          0.001
-ATOM     30  CA  ALA    16      10.565   2.376  -4.090          0.000
-ATOM     31  CB  ALA    16      10.919   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.235   5.960  -5.309          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.819   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.55                                       ENERGY     6.17815E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.186  -0.604  -0.074          0.000
-ATOM      2  CA  ALA     2       3.860   0.252   0.380          0.000
-ATOM      3  CB  ALA     2       3.947   0.720   0.953          0.001
-ATOM      4  CA  ALA     3       6.748  -2.153  -0.180          0.003
-ATOM      5  CB  ALA     3       6.931  -2.676  -0.693          0.009
-ATOM      6  CA  ALA     4      10.411  -1.176  -0.053          0.009
-ATOM      7  CB  ALA     4      10.534  -0.809   0.565          0.006
-ATOM      8  CA  CYS     5      12.588  -4.231  -0.881          0.030
-ATOM      9  CB  CYS     5      12.290  -4.658  -1.951          0.003
-ATOM     10  CA  ALA     6      16.209  -5.554  -1.307          0.131
-ATOM     11  CB  ALA     6      16.911  -5.391  -1.337          0.041
-ATOM     12  CA  ALA     7      14.869  -7.685   1.346          0.180
-ATOM     13  CB  ALA     7      14.910  -7.591  -4.364          0.331
-ATOM     14  CA  ALA     8      14.275 -10.413  -1.125          0.041
-ATOM     15  CB  ALA     8      14.581 -10.754  -1.750          0.141
-ATOM     16  CA  ALA     9      13.801 -13.945  -2.234          0.009
-ATOM     17  CB  ALA     9      14.205 -14.440  -1.776          0.007
-ATOM     18  CA  ALA    10      10.044 -13.357  -2.538          0.004
-ATOM     19  CB  ALA    10      10.004 -12.618  -2.375          0.001
-ATOM     20  CA  ALA    11       8.612 -13.989  -5.992          0.000
-ATOM     21  CB  ALA    11       8.270 -14.589  -6.225          0.001
-ATOM     22  CA  ALA    12       7.824 -10.289  -6.406          0.000
-ATOM     23  CB  ALA    12       7.474  -9.839  -5.932          0.001
-ATOM     24  CA  ALA    13      10.031  -7.415  -7.552          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.291          0.000
-ATOM     26  CA  CYS    14       9.796  -4.105  -5.695          0.000
-ATOM     27  CB  CYS    14      10.170  -4.109  -4.511          0.001
-ATOM     28  CA  ALA    15      10.947  -0.565  -6.466          0.000
-ATOM     29  CB  ALA    15      10.776  -0.380  -7.164          0.000
-ATOM     30  CA  ALA    16      10.565   2.376  -4.090          0.000
-ATOM     31  CB  ALA    16      10.919   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.235   5.960  -5.309          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.819   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.55                                       ENERGY     6.16627E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.186  -0.604  -0.074          0.000
-ATOM      2  CA  ALA     2       3.860   0.252   0.380          0.000
-ATOM      3  CB  ALA     2       3.947   0.720   0.953          0.000
-ATOM      4  CA  ALA     3       6.748  -2.153  -0.180          0.003
-ATOM      5  CB  ALA     3       6.931  -2.676  -0.693          0.007
-ATOM      6  CA  ALA     4      10.411  -1.176  -0.053          0.007
-ATOM      7  CB  ALA     4      10.535  -0.809   0.565          0.005
-ATOM      8  CA  CYS     5      12.588  -4.232  -0.881          0.026
-ATOM      9  CB  CYS     5      12.290  -4.658  -1.951          0.003
-ATOM     10  CA  ALA     6      16.210  -5.552  -1.307          0.134
-ATOM     11  CB  ALA     6      16.911  -5.391  -1.337          0.034
-ATOM     12  CA  ALA     7      14.868  -7.686   1.344          0.176
-ATOM     13  CB  ALA     7      14.910  -7.591  -4.362          0.385
-ATOM     14  CA  ALA     8      14.275 -10.414  -1.125          0.035
-ATOM     15  CB  ALA     8      14.581 -10.754  -1.749          0.117
-ATOM     16  CA  ALA     9      13.801 -13.946  -2.233          0.007
-ATOM     17  CB  ALA     9      14.205 -14.440  -1.776          0.006
-ATOM     18  CA  ALA    10      10.044 -13.357  -2.539          0.003
-ATOM     19  CB  ALA    10      10.004 -12.618  -2.375          0.001
-ATOM     20  CA  ALA    11       8.612 -13.989  -5.992          0.000
-ATOM     21  CB  ALA    11       8.269 -14.589  -6.225          0.001
-ATOM     22  CA  ALA    12       7.824 -10.289  -6.406          0.000
-ATOM     23  CB  ALA    12       7.474  -9.839  -5.932          0.001
-ATOM     24  CA  ALA    13      10.032  -7.415  -7.552          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.291          0.000
-ATOM     26  CA  CYS    14       9.796  -4.105  -5.695          0.000
-ATOM     27  CB  CYS    14      10.170  -4.109  -4.511          0.001
-ATOM     28  CA  ALA    15      10.948  -0.565  -6.466          0.000
-ATOM     29  CB  ALA    15      10.776  -0.380  -7.164          0.000
-ATOM     30  CA  ALA    16      10.565   2.376  -4.090          0.000
-ATOM     31  CB  ALA    16      10.919   2.170  -3.471          0.001
-ATOM     32  CA  ALA    17      10.235   5.960  -5.309          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.980          0.000
-ATOM     34  CA  GLY    18       6.819   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.56                                       ENERGY     6.14179E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.604  -0.074          0.000
-ATOM      2  CA  ALA     2       3.860   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.947   0.720   0.953          0.001
-ATOM      4  CA  ALA     3       6.748  -2.153  -0.180          0.006
-ATOM      5  CB  ALA     3       6.930  -2.676  -0.693          0.017
-ATOM      6  CA  ALA     4      10.412  -1.176  -0.054          0.018
-ATOM      7  CB  ALA     4      10.535  -0.809   0.566          0.010
-ATOM      8  CA  CYS     5      12.589  -4.233  -0.880          0.054
-ATOM      9  CB  CYS     5      12.289  -4.659  -1.952          0.005
-ATOM     10  CA  ALA     6      16.212  -5.548  -1.307          0.105
-ATOM     11  CB  ALA     6      16.910  -5.389  -1.336          0.071
-ATOM     12  CA  ALA     7      14.866  -7.687   1.339          0.156
-ATOM     13  CB  ALA     7      14.909  -7.591  -4.357          0.151
-ATOM     14  CA  ALA     8      14.277 -10.416  -1.127          0.075
-ATOM     15  CB  ALA     8      14.581 -10.752  -1.745          0.232
-ATOM     16  CA  ALA     9      13.801 -13.948  -2.231          0.020
-ATOM     17  CB  ALA     9      14.204 -14.441  -1.776          0.014
-ATOM     18  CA  ALA    10      10.044 -13.355  -2.539          0.008
-ATOM     19  CB  ALA    10      10.004 -12.619  -2.375          0.002
-ATOM     20  CA  ALA    11       8.612 -13.989  -5.992          0.001
-ATOM     21  CB  ALA    11       8.269 -14.589  -6.225          0.003
-ATOM     22  CA  ALA    12       7.824 -10.289  -6.406          0.001
-ATOM     23  CB  ALA    12       7.474  -9.839  -5.931          0.002
-ATOM     24  CA  ALA    13      10.032  -7.415  -7.552          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.291          0.001
-ATOM     26  CA  CYS    14       9.796  -4.105  -5.695          0.001
-ATOM     27  CB  CYS    14      10.170  -4.109  -4.511          0.001
-ATOM     28  CA  ALA    15      10.948  -0.565  -6.466          0.000
-ATOM     29  CB  ALA    15      10.776  -0.380  -7.164          0.001
-ATOM     30  CA  ALA    16      10.565   2.376  -4.090          0.000
-ATOM     31  CB  ALA    16      10.919   2.171  -3.470          0.001
-ATOM     32  CA  ALA    17      10.235   5.960  -5.309          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.979          0.000
-ATOM     34  CA  GLY    18       6.819   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.56                                       ENERGY     6.13349E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.604  -0.074          0.000
-ATOM      2  CA  ALA     2       3.860   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.948   0.720   0.953          0.001
-ATOM      4  CA  ALA     3       6.748  -2.152  -0.181          0.006
-ATOM      5  CB  ALA     3       6.929  -2.676  -0.693          0.014
-ATOM      6  CA  ALA     4      10.412  -1.176  -0.054          0.016
-ATOM      7  CB  ALA     4      10.535  -0.808   0.566          0.008
-ATOM      8  CA  CYS     5      12.590  -4.234  -0.880          0.048
-ATOM      9  CB  CYS     5      12.289  -4.659  -1.952          0.005
-ATOM     10  CA  ALA     6      16.212  -5.547  -1.308          0.115
-ATOM     11  CB  ALA     6      16.910  -5.388  -1.336          0.062
-ATOM     12  CA  ALA     7      14.865  -7.687   1.337          0.162
-ATOM     13  CB  ALA     7      14.909  -7.591  -4.356          0.218
-ATOM     14  CA  ALA     8      14.277 -10.416  -1.128          0.065
-ATOM     15  CB  ALA     8      14.581 -10.751  -1.744          0.204
-ATOM     16  CA  ALA     9      13.801 -13.949  -2.230          0.017
-ATOM     17  CB  ALA     9      14.204 -14.441  -1.776          0.013
-ATOM     18  CA  ALA    10      10.044 -13.355  -2.539          0.007
-ATOM     19  CB  ALA    10      10.004 -12.619  -2.375          0.002
-ATOM     20  CA  ALA    11       8.612 -13.989  -5.992          0.001
-ATOM     21  CB  ALA    11       8.269 -14.589  -6.225          0.002
-ATOM     22  CA  ALA    12       7.825 -10.289  -6.406          0.001
-ATOM     23  CB  ALA    12       7.475  -9.839  -5.931          0.002
-ATOM     24  CA  ALA    13      10.032  -7.415  -7.552          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.290          0.000
-ATOM     26  CA  CYS    14       9.796  -4.105  -5.695          0.000
-ATOM     27  CB  CYS    14      10.170  -4.109  -4.511          0.001
-ATOM     28  CA  ALA    15      10.948  -0.565  -6.466          0.000
-ATOM     29  CB  ALA    15      10.776  -0.380  -7.164          0.001
-ATOM     30  CA  ALA    16      10.565   2.376  -4.090          0.000
-ATOM     31  CB  ALA    16      10.918   2.171  -3.470          0.001
-ATOM     32  CA  ALA    17      10.235   5.960  -5.309          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.979          0.000
-ATOM     34  CA  GLY    18       6.819   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.57                                       ENERGY     6.12397E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.605  -0.074          0.000
-ATOM      2  CA  ALA     2       3.860   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.948   0.720   0.953          0.001
-ATOM      4  CA  ALA     3       6.748  -2.152  -0.181          0.005
-ATOM      5  CB  ALA     3       6.929  -2.676  -0.693          0.012
-ATOM      6  CA  ALA     4      10.412  -1.176  -0.054          0.013
-ATOM      7  CB  ALA     4      10.535  -0.808   0.566          0.007
-ATOM      8  CA  CYS     5      12.590  -4.234  -0.879          0.041
-ATOM      9  CB  CYS     5      12.289  -4.659  -1.952          0.004
-ATOM     10  CA  ALA     6      16.213  -5.545  -1.308          0.123
-ATOM     11  CB  ALA     6      16.909  -5.387  -1.335          0.052
-ATOM     12  CA  ALA     7      14.865  -7.688   1.335          0.165
-ATOM     13  CB  ALA     7      14.908  -7.592  -4.354          0.287
-ATOM     14  CA  ALA     8      14.278 -10.417  -1.128          0.055
-ATOM     15  CB  ALA     8      14.581 -10.750  -1.743          0.174
-ATOM     16  CA  ALA     9      13.801 -13.950  -2.229          0.014
-ATOM     17  CB  ALA     9      14.204 -14.441  -1.776          0.011
-ATOM     18  CA  ALA    10      10.044 -13.354  -2.539          0.006
-ATOM     19  CB  ALA    10      10.004 -12.619  -2.375          0.002
-ATOM     20  CA  ALA    11       8.612 -13.989  -5.992          0.001
-ATOM     21  CB  ALA    11       8.269 -14.589  -6.225          0.002
-ATOM     22  CA  ALA    12       7.825 -10.289  -6.406          0.001
-ATOM     23  CB  ALA    12       7.475  -9.840  -5.931          0.001
-ATOM     24  CA  ALA    13      10.032  -7.415  -7.552          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.290          0.000
-ATOM     26  CA  CYS    14       9.795  -4.105  -5.695          0.000
-ATOM     27  CB  CYS    14      10.170  -4.109  -4.511          0.001
-ATOM     28  CA  ALA    15      10.948  -0.565  -6.466          0.000
-ATOM     29  CB  ALA    15      10.776  -0.380  -7.164          0.001
-ATOM     30  CA  ALA    16      10.565   2.375  -4.090          0.000
-ATOM     31  CB  ALA    16      10.918   2.171  -3.470          0.001
-ATOM     32  CA  ALA    17      10.235   5.960  -5.309          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.979          0.000
-ATOM     34  CA  GLY    18       6.819   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.57                                       ENERGY     6.11340E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.605  -0.074          0.000
-ATOM      2  CA  ALA     2       3.860   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.948   0.720   0.953          0.001
-ATOM      4  CA  ALA     3       6.748  -2.152  -0.181          0.004
-ATOM      5  CB  ALA     3       6.929  -2.676  -0.693          0.010
-ATOM      6  CA  ALA     4      10.412  -1.176  -0.055          0.011
-ATOM      7  CB  ALA     4      10.535  -0.808   0.566          0.006
-ATOM      8  CA  CYS     5      12.591  -4.235  -0.879          0.034
-ATOM      9  CB  CYS     5      12.289  -4.659  -1.952          0.003
-ATOM     10  CA  ALA     6      16.214  -5.544  -1.308          0.128
-ATOM     11  CB  ALA     6      16.909  -5.387  -1.335          0.043
-ATOM     12  CA  ALA     7      14.864  -7.688   1.333          0.165
-ATOM     13  CB  ALA     7      14.908  -7.592  -4.352          0.350
-ATOM     14  CA  ALA     8      14.278 -10.418  -1.129          0.046
-ATOM     15  CB  ALA     8      14.581 -10.749  -1.741          0.145
-ATOM     16  CA  ALA     9      13.801 -13.951  -2.228          0.011
-ATOM     17  CB  ALA     9      14.203 -14.441  -1.776          0.009
-ATOM     18  CA  ALA    10      10.045 -13.354  -2.539          0.005
-ATOM     19  CB  ALA    10      10.004 -12.619  -2.375          0.001
-ATOM     20  CA  ALA    11       8.612 -13.989  -5.993          0.001
-ATOM     21  CB  ALA    11       8.269 -14.589  -6.225          0.002
-ATOM     22  CA  ALA    12       7.825 -10.289  -6.406          0.000
-ATOM     23  CB  ALA    12       7.475  -9.840  -5.931          0.001
-ATOM     24  CA  ALA    13      10.032  -7.415  -7.552          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.290          0.000
-ATOM     26  CA  CYS    14       9.795  -4.105  -5.695          0.000
-ATOM     27  CB  CYS    14      10.170  -4.108  -4.511          0.001
-ATOM     28  CA  ALA    15      10.948  -0.565  -6.466          0.000
-ATOM     29  CB  ALA    15      10.776  -0.380  -7.164          0.001
-ATOM     30  CA  ALA    16      10.565   2.375  -4.090          0.000
-ATOM     31  CB  ALA    16      10.918   2.171  -3.470          0.001
-ATOM     32  CA  ALA    17      10.235   5.960  -5.309          0.000
-ATOM     33  CB  ALA    17      10.481   6.163  -5.979          0.000
-ATOM     34  CA  GLY    18       6.819   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.58                                       ENERGY     6.10201E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.605  -0.074          0.000
-ATOM      2  CA  ALA     2       3.860   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.948   0.720   0.953          0.000
-ATOM      4  CA  ALA     3       6.748  -2.152  -0.181          0.003
-ATOM      5  CB  ALA     3       6.928  -2.676  -0.693          0.008
-ATOM      6  CA  ALA     4      10.413  -1.176  -0.055          0.009
-ATOM      7  CB  ALA     4      10.535  -0.808   0.566          0.005
-ATOM      8  CA  CYS     5      12.591  -4.235  -0.878          0.029
-ATOM      9  CB  CYS     5      12.289  -4.659  -1.952          0.003
-ATOM     10  CA  ALA     6      16.214  -5.542  -1.308          0.133
-ATOM     11  CB  ALA     6      16.908  -5.386  -1.335          0.036
-ATOM     12  CA  ALA     7      14.863  -7.689   1.330          0.164
-ATOM     13  CB  ALA     7      14.908  -7.592  -4.350          0.410
-ATOM     14  CA  ALA     8      14.279 -10.418  -1.129          0.039
-ATOM     15  CB  ALA     8      14.581 -10.749  -1.740          0.122
-ATOM     16  CA  ALA     9      13.801 -13.952  -2.228          0.009
-ATOM     17  CB  ALA     9      14.203 -14.442  -1.777          0.008
-ATOM     18  CA  ALA    10      10.045 -13.353  -2.539          0.004
-ATOM     19  CB  ALA    10      10.004 -12.619  -2.375          0.001
-ATOM     20  CA  ALA    11       8.612 -13.989  -5.993          0.000
-ATOM     21  CB  ALA    11       8.269 -14.589  -6.225          0.001
-ATOM     22  CA  ALA    12       7.825 -10.289  -6.406          0.000
-ATOM     23  CB  ALA    12       7.475  -9.840  -5.931          0.001
-ATOM     24  CA  ALA    13      10.032  -7.415  -7.551          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.290          0.000
-ATOM     26  CA  CYS    14       9.795  -4.105  -5.695          0.000
-ATOM     27  CB  CYS    14      10.170  -4.108  -4.511          0.001
-ATOM     28  CA  ALA    15      10.948  -0.565  -6.466          0.000
-ATOM     29  CB  ALA    15      10.776  -0.380  -7.164          0.000
-ATOM     30  CA  ALA    16      10.565   2.375  -4.090          0.000
-ATOM     31  CB  ALA    16      10.918   2.171  -3.470          0.001
-ATOM     32  CA  ALA    17      10.235   5.960  -5.309          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.979          0.000
-ATOM     34  CA  GLY    18       6.819   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.58                                       ENERGY     6.08999E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.605  -0.074          0.000
-ATOM      2  CA  ALA     2       3.859   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.948   0.720   0.953          0.000
-ATOM      4  CA  ALA     3       6.748  -2.152  -0.181          0.003
-ATOM      5  CB  ALA     3       6.928  -2.676  -0.693          0.007
-ATOM      6  CA  ALA     4      10.413  -1.176  -0.055          0.008
-ATOM      7  CB  ALA     4      10.535  -0.807   0.566          0.004
-ATOM      8  CA  CYS     5      12.591  -4.235  -0.878          0.025
-ATOM      9  CB  CYS     5      12.289  -4.659  -1.952          0.002
-ATOM     10  CA  ALA     6      16.215  -5.541  -1.308          0.134
-ATOM     11  CB  ALA     6      16.908  -5.386  -1.335          0.030
-ATOM     12  CA  ALA     7      14.863  -7.689   1.328          0.161
-ATOM     13  CB  ALA     7      14.908  -7.592  -4.347          0.455
-ATOM     14  CA  ALA     8      14.279 -10.419  -1.130          0.033
-ATOM     15  CB  ALA     8      14.581 -10.748  -1.739          0.102
-ATOM     16  CA  ALA     9      13.801 -13.953  -2.227          0.008
-ATOM     17  CB  ALA     9      14.203 -14.442  -1.777          0.007
-ATOM     18  CA  ALA    10      10.045 -13.353  -2.539          0.003
-ATOM     19  CB  ALA    10      10.004 -12.619  -2.375          0.001
-ATOM     20  CA  ALA    11       8.612 -13.989  -5.993          0.000
-ATOM     21  CB  ALA    11       8.269 -14.589  -6.226          0.001
-ATOM     22  CA  ALA    12       7.825 -10.289  -6.407          0.000
-ATOM     23  CB  ALA    12       7.475  -9.840  -5.931          0.001
-ATOM     24  CA  ALA    13      10.032  -7.415  -7.551          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.290          0.000
-ATOM     26  CA  CYS    14       9.795  -4.105  -5.695          0.000
-ATOM     27  CB  CYS    14      10.170  -4.108  -4.511          0.000
-ATOM     28  CA  ALA    15      10.948  -0.565  -6.466          0.000
-ATOM     29  CB  ALA    15      10.776  -0.380  -7.164          0.000
-ATOM     30  CA  ALA    16      10.565   2.375  -4.090          0.000
-ATOM     31  CB  ALA    16      10.918   2.171  -3.470          0.000
-ATOM     32  CA  ALA    17      10.235   5.960  -5.309          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.979          0.000
-ATOM     34  CA  GLY    18       6.819   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.59                                       ENERGY     6.06762E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.605  -0.074          0.000
-ATOM      2  CA  ALA     2       3.859   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.948   0.720   0.953          0.001
-ATOM      4  CA  ALA     3       6.749  -2.152  -0.181          0.007
-ATOM      5  CB  ALA     3       6.927  -2.676  -0.694          0.015
-ATOM      6  CA  ALA     4      10.414  -1.176  -0.056          0.020
-ATOM      7  CB  ALA     4      10.536  -0.807   0.567          0.008
-ATOM      8  CA  CYS     5      12.592  -4.237  -0.877          0.056
-ATOM      9  CB  CYS     5      12.289  -4.660  -1.953          0.005
-ATOM     10  CA  ALA     6      16.216  -5.537  -1.309          0.111
-ATOM     11  CB  ALA     6      16.907  -5.384  -1.334          0.066
-ATOM     12  CA  ALA     7      14.861  -7.690   1.323          0.136
-ATOM     13  CB  ALA     7      14.907  -7.592  -4.343          0.221
-ATOM     14  CA  ALA     8      14.280 -10.420  -1.132          0.074
-ATOM     15  CB  ALA     8      14.580 -10.746  -1.736          0.209
-ATOM     16  CA  ALA     9      13.801 -13.956  -2.225          0.021
-ATOM     17  CB  ALA     9      14.202 -14.443  -1.777          0.016
-ATOM     18  CA  ALA    10      10.045 -13.351  -2.540          0.008
-ATOM     19  CB  ALA    10      10.004 -12.619  -2.375          0.002
-ATOM     20  CA  ALA    11       8.611 -13.989  -5.993          0.001
-ATOM     21  CB  ALA    11       8.268 -14.589  -6.226          0.003
-ATOM     22  CA  ALA    12       7.825 -10.289  -6.407          0.001
-ATOM     23  CB  ALA    12       7.475  -9.840  -5.931          0.002
-ATOM     24  CA  ALA    13      10.032  -7.415  -7.551          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.290          0.000
-ATOM     26  CA  CYS    14       9.795  -4.104  -5.695          0.000
-ATOM     27  CB  CYS    14      10.169  -4.108  -4.511          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.776  -0.380  -7.164          0.001
-ATOM     30  CA  ALA    16      10.565   2.375  -4.090          0.000
-ATOM     31  CB  ALA    16      10.918   2.171  -3.470          0.001
-ATOM     32  CA  ALA    17      10.235   5.960  -5.309          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.979          0.000
-ATOM     34  CA  GLY    18       6.819   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.59                                       ENERGY     6.05919E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.605  -0.073          0.000
-ATOM      2  CA  ALA     2       3.859   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.948   0.720   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.152  -0.181          0.006
-ATOM      5  CB  ALA     3       6.926  -2.676  -0.694          0.013
-ATOM      6  CA  ALA     4      10.414  -1.176  -0.056          0.018
-ATOM      7  CB  ALA     4      10.536  -0.806   0.567          0.007
-ATOM      8  CA  CYS     5      12.593  -4.237  -0.876          0.049
-ATOM      9  CB  CYS     5      12.289  -4.660  -1.953          0.004
-ATOM     10  CA  ALA     6      16.217  -5.535  -1.310          0.119
-ATOM     11  CB  ALA     6      16.907  -5.383  -1.334          0.057
-ATOM     12  CA  ALA     7      14.860  -7.691   1.322          0.143
-ATOM     13  CB  ALA     7      14.907  -7.593  -4.341          0.291
-ATOM     14  CA  ALA     8      14.281 -10.421  -1.133          0.065
-ATOM     15  CB  ALA     8      14.580 -10.745  -1.734          0.182
-ATOM     16  CA  ALA     9      13.800 -13.957  -2.224          0.018
-ATOM     17  CB  ALA     9      14.202 -14.443  -1.777          0.014
-ATOM     18  CA  ALA    10      10.045 -13.351  -2.540          0.007
-ATOM     19  CB  ALA    10      10.003 -12.620  -2.375          0.002
-ATOM     20  CA  ALA    11       8.611 -13.989  -5.993          0.001
-ATOM     21  CB  ALA    11       8.268 -14.589  -6.226          0.002
-ATOM     22  CA  ALA    12       7.825 -10.289  -6.407          0.001
-ATOM     23  CB  ALA    12       7.475  -9.840  -5.931          0.001
-ATOM     24  CA  ALA    13      10.032  -7.415  -7.551          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.290          0.000
-ATOM     26  CA  CYS    14       9.794  -4.104  -5.695          0.000
-ATOM     27  CB  CYS    14      10.169  -4.108  -4.511          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.380  -7.164          0.001
-ATOM     30  CA  ALA    16      10.565   2.375  -4.090          0.000
-ATOM     31  CB  ALA    16      10.918   2.171  -3.470          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.309          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.979          0.000
-ATOM     34  CA  GLY    18       6.819   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.60                                       ENERGY     6.04959E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.605  -0.073          0.000
-ATOM      2  CA  ALA     2       3.859   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.948   0.720   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.152  -0.182          0.005
-ATOM      5  CB  ALA     3       6.926  -2.676  -0.694          0.011
-ATOM      6  CA  ALA     4      10.414  -1.176  -0.057          0.015
-ATOM      7  CB  ALA     4      10.536  -0.806   0.567          0.006
-ATOM      8  CA  CYS     5      12.593  -4.238  -0.876          0.042
-ATOM      9  CB  CYS     5      12.289  -4.660  -1.953          0.004
-ATOM     10  CA  ALA     6      16.217  -5.533  -1.310          0.126
-ATOM     11  CB  ALA     6      16.907  -5.382  -1.334          0.049
-ATOM     12  CA  ALA     7      14.859  -7.691   1.320          0.147
-ATOM     13  CB  ALA     7      14.906  -7.593  -4.339          0.360
-ATOM     14  CA  ALA     8      14.281 -10.422  -1.133          0.055
-ATOM     15  CB  ALA     8      14.580 -10.744  -1.733          0.155
-ATOM     16  CA  ALA     9      13.800 -13.958  -2.223          0.015
-ATOM     17  CB  ALA     9      14.202 -14.443  -1.777          0.012
-ATOM     18  CA  ALA    10      10.045 -13.350  -2.540          0.006
-ATOM     19  CB  ALA    10      10.003 -12.620  -2.375          0.002
-ATOM     20  CA  ALA    11       8.611 -13.989  -5.993          0.001
-ATOM     21  CB  ALA    11       8.268 -14.589  -6.226          0.002
-ATOM     22  CA  ALA    12       7.825 -10.289  -6.407          0.000
-ATOM     23  CB  ALA    12       7.475  -9.840  -5.931          0.001
-ATOM     24  CA  ALA    13      10.033  -7.415  -7.551          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.290          0.000
-ATOM     26  CA  CYS    14       9.794  -4.104  -5.695          0.000
-ATOM     27  CB  CYS    14      10.169  -4.108  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.379  -7.164          0.001
-ATOM     30  CA  ALA    16      10.565   2.375  -4.090          0.000
-ATOM     31  CB  ALA    16      10.918   2.171  -3.470          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.308          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.979          0.000
-ATOM     34  CA  GLY    18       6.819   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.60                                       ENERGY     6.03901E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.605  -0.073          0.000
-ATOM      2  CA  ALA     2       3.859   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.948   0.719   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.152  -0.182          0.004
-ATOM      5  CB  ALA     3       6.926  -2.676  -0.694          0.009
-ATOM      6  CA  ALA     4      10.414  -1.177  -0.057          0.013
-ATOM      7  CB  ALA     4      10.536  -0.806   0.567          0.005
-ATOM      8  CA  CYS     5      12.594  -4.238  -0.875          0.035
-ATOM      9  CB  CYS     5      12.289  -4.660  -1.953          0.003
-ATOM     10  CA  ALA     6      16.218  -5.532  -1.311          0.130
-ATOM     11  CB  ALA     6      16.906  -5.381  -1.334          0.041
-ATOM     12  CA  ALA     7      14.858  -7.692   1.318          0.149
-ATOM     13  CB  ALA     7      14.906  -7.593  -4.336          0.422
-ATOM     14  CA  ALA     8      14.282 -10.422  -1.134          0.046
-ATOM     15  CB  ALA     8      14.580 -10.744  -1.732          0.131
-ATOM     16  CA  ALA     9      13.800 -13.959  -2.222          0.012
-ATOM     17  CB  ALA     9      14.202 -14.443  -1.778          0.010
-ATOM     18  CA  ALA    10      10.046 -13.350  -2.540          0.005
-ATOM     19  CB  ALA    10      10.003 -12.620  -2.375          0.001
-ATOM     20  CA  ALA    11       8.611 -13.989  -5.993          0.001
-ATOM     21  CB  ALA    11       8.268 -14.589  -6.226          0.002
-ATOM     22  CA  ALA    12       7.825 -10.289  -6.407          0.000
-ATOM     23  CB  ALA    12       7.475  -9.840  -5.931          0.001
-ATOM     24  CA  ALA    13      10.033  -7.415  -7.551          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.290          0.000
-ATOM     26  CA  CYS    14       9.794  -4.104  -5.695          0.000
-ATOM     27  CB  CYS    14      10.169  -4.108  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.379  -7.164          0.001
-ATOM     30  CA  ALA    16      10.564   2.375  -4.090          0.000
-ATOM     31  CB  ALA    16      10.918   2.171  -3.470          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.308          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.979          0.000
-ATOM     34  CA  GLY    18       6.819   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.60                                       ENERGY     6.02764E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.605  -0.073          0.000
-ATOM      2  CA  ALA     2       3.859   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.948   0.719   0.952          0.000
-ATOM      4  CA  ALA     3       6.749  -2.152  -0.182          0.003
-ATOM      5  CB  ALA     3       6.925  -2.676  -0.694          0.007
-ATOM      6  CA  ALA     4      10.415  -1.177  -0.057          0.011
-ATOM      7  CB  ALA     4      10.536  -0.806   0.567          0.004
-ATOM      8  CA  CYS     5      12.594  -4.239  -0.875          0.029
-ATOM      9  CB  CYS     5      12.289  -4.660  -1.953          0.003
-ATOM     10  CA  ALA     6      16.218  -5.530  -1.311          0.133
-ATOM     11  CB  ALA     6      16.906  -5.381  -1.334          0.034
-ATOM     12  CA  ALA     7      14.858  -7.692   1.316          0.149
-ATOM     13  CB  ALA     7      14.906  -7.593  -4.334          0.474
-ATOM     14  CA  ALA     8      14.282 -10.423  -1.134          0.038
-ATOM     15  CB  ALA     8      14.580 -10.743  -1.731          0.109
-ATOM     16  CA  ALA     9      13.800 -13.960  -2.222          0.010
-ATOM     17  CB  ALA     9      14.201 -14.444  -1.778          0.009
-ATOM     18  CA  ALA    10      10.046 -13.349  -2.540          0.004
-ATOM     19  CB  ALA    10      10.003 -12.620  -2.375          0.001
-ATOM     20  CA  ALA    11       8.611 -13.989  -5.993          0.000
-ATOM     21  CB  ALA    11       8.268 -14.589  -6.226          0.001
-ATOM     22  CA  ALA    12       7.825 -10.289  -6.407          0.000
-ATOM     23  CB  ALA    12       7.475  -9.840  -5.931          0.001
-ATOM     24  CA  ALA    13      10.033  -7.414  -7.551          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.290          0.000
-ATOM     26  CA  CYS    14       9.794  -4.104  -5.695          0.000
-ATOM     27  CB  CYS    14      10.169  -4.108  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.379  -7.164          0.000
-ATOM     30  CA  ALA    16      10.564   2.375  -4.090          0.000
-ATOM     31  CB  ALA    16      10.918   2.171  -3.470          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.308          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.979          0.000
-ATOM     34  CA  GLY    18       6.820   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.61                                       ENERGY     6.01112E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.605  -0.073          0.000
-ATOM      2  CA  ALA     2       3.859   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.948   0.719   0.952          0.000
-ATOM      4  CA  ALA     3       6.749  -2.151  -0.182          0.003
-ATOM      5  CB  ALA     3       6.925  -2.676  -0.694          0.007
-ATOM      6  CA  ALA     4      10.415  -1.177  -0.057          0.010
-ATOM      7  CB  ALA     4      10.536  -0.806   0.567          0.003
-ATOM      8  CA  CYS     5      12.594  -4.239  -0.875          0.027
-ATOM      9  CB  CYS     5      12.288  -4.661  -1.953          0.002
-ATOM     10  CA  ALA     6      16.219  -5.528  -1.311          0.110
-ATOM     11  CB  ALA     6      16.906  -5.380  -1.333          0.030
-ATOM     12  CA  ALA     7      14.857  -7.692   1.312          0.121
-ATOM     13  CB  ALA     7      14.905  -7.594  -4.331          0.394
-ATOM     14  CA  ALA     8      14.283 -10.423  -1.135          0.034
-ATOM     15  CB  ALA     8      14.580 -10.742  -1.730          0.095
-ATOM     16  CA  ALA     9      13.800 -13.961  -2.221          0.009
-ATOM     17  CB  ALA     9      14.201 -14.444  -1.778          0.008
-ATOM     18  CA  ALA    10      10.046 -13.349  -2.540          0.004
-ATOM     19  CB  ALA    10      10.003 -12.620  -2.375          0.001
-ATOM     20  CA  ALA    11       8.611 -13.989  -5.993          0.000
-ATOM     21  CB  ALA    11       8.268 -14.589  -6.226          0.001
-ATOM     22  CA  ALA    12       7.825 -10.289  -6.407          0.000
-ATOM     23  CB  ALA    12       7.475  -9.841  -5.931          0.001
-ATOM     24  CA  ALA    13      10.033  -7.414  -7.551          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.290          0.000
-ATOM     26  CA  CYS    14       9.794  -4.104  -5.695          0.000
-ATOM     27  CB  CYS    14      10.169  -4.108  -4.512          0.000
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.379  -7.164          0.000
-ATOM     30  CA  ALA    16      10.564   2.375  -4.090          0.000
-ATOM     31  CB  ALA    16      10.918   2.171  -3.470          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.308          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.979          0.000
-ATOM     34  CA  GLY    18       6.820   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.62                                       ENERGY     5.99450E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.605  -0.073          0.000
-ATOM      2  CA  ALA     2       3.859   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.948   0.719   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.151  -0.182          0.007
-ATOM      5  CB  ALA     3       6.924  -2.676  -0.694          0.015
-ATOM      6  CA  ALA     4      10.415  -1.177  -0.058          0.023
-ATOM      7  CB  ALA     4      10.536  -0.805   0.568          0.007
-ATOM      8  CA  CYS     5      12.596  -4.240  -0.874          0.060
-ATOM      9  CB  CYS     5      12.288  -4.661  -1.954          0.005
-ATOM     10  CA  ALA     6      16.220  -5.525  -1.312          0.114
-ATOM     11  CB  ALA     6      16.905  -5.378  -1.333          0.064
-ATOM     12  CA  ALA     7      14.855  -7.693   1.310          0.113
-ATOM     13  CB  ALA     7      14.905  -7.595  -4.327          0.281
-ATOM     14  CA  ALA     8      14.284 -10.425  -1.137          0.076
-ATOM     15  CB  ALA     8      14.580 -10.740  -1.727          0.188
-ATOM     16  CA  ALA     9      13.800 -13.964  -2.219          0.023
-ATOM     17  CB  ALA     9      14.200 -14.445  -1.778          0.018
-ATOM     18  CA  ALA    10      10.046 -13.347  -2.540          0.008
-ATOM     19  CB  ALA    10      10.003 -12.620  -2.375          0.002
-ATOM     20  CA  ALA    11       8.611 -13.989  -5.994          0.001
-ATOM     21  CB  ALA    11       8.268 -14.589  -6.227          0.003
-ATOM     22  CA  ALA    12       7.826 -10.289  -6.407          0.001
-ATOM     23  CB  ALA    12       7.476  -9.841  -5.931          0.002
-ATOM     24  CA  ALA    13      10.033  -7.414  -7.551          0.000
-ATOM     25  CB  ALA    13      10.095  -7.394  -8.290          0.000
-ATOM     26  CA  CYS    14       9.794  -4.104  -5.695          0.000
-ATOM     27  CB  CYS    14      10.169  -4.107  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.379  -7.164          0.001
-ATOM     30  CA  ALA    16      10.564   2.375  -4.090          0.000
-ATOM     31  CB  ALA    16      10.918   2.171  -3.470          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.308          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.979          0.000
-ATOM     34  CA  GLY    18       6.820   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.62                                       ENERGY     5.98633E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.605  -0.073          0.000
-ATOM      2  CA  ALA     2       3.859   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.949   0.719   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.151  -0.182          0.006
-ATOM      5  CB  ALA     3       6.924  -2.676  -0.694          0.013
-ATOM      6  CA  ALA     4      10.416  -1.177  -0.058          0.020
-ATOM      7  CB  ALA     4      10.537  -0.805   0.568          0.006
-ATOM      8  CA  CYS     5      12.596  -4.241  -0.873          0.052
-ATOM      9  CB  CYS     5      12.288  -4.661  -1.954          0.004
-ATOM     10  CA  ALA     6      16.220  -5.523  -1.313          0.120
-ATOM     11  CB  ALA     6      16.905  -5.377  -1.333          0.055
-ATOM     12  CA  ALA     7      14.854  -7.694   1.308          0.121
-ATOM     13  CB  ALA     7      14.904  -7.595  -4.325          0.351
-ATOM     14  CA  ALA     8      14.284 -10.425  -1.138          0.066
-ATOM     15  CB  ALA     8      14.580 -10.739  -1.726          0.164
-ATOM     16  CA  ALA     9      13.800 -13.965  -2.218          0.019
-ATOM     17  CB  ALA     9      14.200 -14.445  -1.778          0.016
-ATOM     18  CA  ALA    10      10.046 -13.347  -2.540          0.007
-ATOM     19  CB  ALA    10      10.003 -12.620  -2.375          0.002
-ATOM     20  CA  ALA    11       8.611 -13.989  -5.994          0.001
-ATOM     21  CB  ALA    11       8.267 -14.589  -6.227          0.003
-ATOM     22  CA  ALA    12       7.826 -10.289  -6.407          0.001
-ATOM     23  CB  ALA    12       7.476  -9.841  -5.931          0.001
-ATOM     24  CA  ALA    13      10.033  -7.414  -7.551          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.793  -4.104  -5.695          0.000
-ATOM     27  CB  CYS    14      10.169  -4.107  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.379  -7.164          0.001
-ATOM     30  CA  ALA    16      10.564   2.375  -4.090          0.000
-ATOM     31  CB  ALA    16      10.917   2.171  -3.469          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.308          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.979          0.000
-ATOM     34  CA  GLY    18       6.820   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.62                                       ENERGY     5.97699E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.605  -0.073          0.000
-ATOM      2  CA  ALA     2       3.859   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.949   0.719   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.151  -0.182          0.005
-ATOM      5  CB  ALA     3       6.923  -2.676  -0.694          0.011
-ATOM      6  CA  ALA     4      10.416  -1.177  -0.059          0.017
-ATOM      7  CB  ALA     4      10.537  -0.805   0.568          0.005
-ATOM      8  CA  CYS     5      12.597  -4.241  -0.872          0.044
-ATOM      9  CB  CYS     5      12.288  -4.661  -1.954          0.004
-ATOM     10  CA  ALA     6      16.221  -5.521  -1.314          0.127
-ATOM     11  CB  ALA     6      16.904  -5.377  -1.333          0.047
-ATOM     12  CA  ALA     7      14.854  -7.694   1.307          0.128
-ATOM     13  CB  ALA     7      14.904  -7.595  -4.322          0.420
-ATOM     14  CA  ALA     8      14.285 -10.426  -1.139          0.057
-ATOM     15  CB  ALA     8      14.580 -10.739  -1.725          0.141
-ATOM     16  CA  ALA     9      13.799 -13.966  -2.217          0.016
-ATOM     17  CB  ALA     9      14.200 -14.445  -1.779          0.014
-ATOM     18  CA  ALA    10      10.047 -13.346  -2.541          0.006
-ATOM     19  CB  ALA    10      10.003 -12.621  -2.375          0.001
-ATOM     20  CA  ALA    11       8.611 -13.989  -5.994          0.001
-ATOM     21  CB  ALA    11       8.267 -14.589  -6.227          0.002
-ATOM     22  CA  ALA    12       7.826 -10.289  -6.407          0.000
-ATOM     23  CB  ALA    12       7.476  -9.841  -5.931          0.001
-ATOM     24  CA  ALA    13      10.033  -7.414  -7.550          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.793  -4.104  -5.695          0.000
-ATOM     27  CB  CYS    14      10.169  -4.107  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.379  -7.163          0.001
-ATOM     30  CA  ALA    16      10.564   2.374  -4.090          0.000
-ATOM     31  CB  ALA    16      10.917   2.171  -3.469          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.308          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.978          0.000
-ATOM     34  CA  GLY    18       6.820   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.63                                       ENERGY     5.96666E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.605  -0.073          0.000
-ATOM      2  CA  ALA     2       3.859   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.949   0.719   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.151  -0.183          0.004
-ATOM      5  CB  ALA     3       6.923  -2.676  -0.694          0.009
-ATOM      6  CA  ALA     4      10.416  -1.178  -0.059          0.015
-ATOM      7  CB  ALA     4      10.537  -0.805   0.568          0.004
-ATOM      8  CA  CYS     5      12.597  -4.241  -0.872          0.037
-ATOM      9  CB  CYS     5      12.288  -4.661  -1.954          0.003
-ATOM     10  CA  ALA     6      16.221  -5.519  -1.314          0.131
-ATOM     11  CB  ALA     6      16.904  -5.376  -1.333          0.040
-ATOM     12  CA  ALA     7      14.853  -7.694   1.305          0.132
-ATOM     13  CB  ALA     7      14.903  -7.596  -4.320          0.479
-ATOM     14  CA  ALA     8      14.285 -10.426  -1.139          0.047
-ATOM     15  CB  ALA     8      14.580 -10.738  -1.724          0.119
-ATOM     16  CA  ALA     9      13.799 -13.968  -2.217          0.014
-ATOM     17  CB  ALA     9      14.200 -14.445  -1.779          0.012
-ATOM     18  CA  ALA    10      10.047 -13.346  -2.541          0.005
-ATOM     19  CB  ALA    10      10.003 -12.621  -2.376          0.001
-ATOM     20  CA  ALA    11       8.611 -13.989  -5.994          0.001
-ATOM     21  CB  ALA    11       8.267 -14.589  -6.227          0.002
-ATOM     22  CA  ALA    12       7.826 -10.289  -6.408          0.000
-ATOM     23  CB  ALA    12       7.476  -9.841  -5.931          0.001
-ATOM     24  CA  ALA    13      10.033  -7.414  -7.550          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.793  -4.104  -5.695          0.000
-ATOM     27  CB  CYS    14      10.169  -4.107  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.379  -7.163          0.001
-ATOM     30  CA  ALA    16      10.564   2.374  -4.090          0.000
-ATOM     31  CB  ALA    16      10.917   2.172  -3.469          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.308          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.978          0.000
-ATOM     34  CA  GLY    18       6.820   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.63                                       ENERGY     5.95554E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.605  -0.073          0.000
-ATOM      2  CA  ALA     2       3.859   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.949   0.719   0.952          0.000
-ATOM      4  CA  ALA     3       6.749  -2.151  -0.183          0.004
-ATOM      5  CB  ALA     3       6.923  -2.676  -0.694          0.007
-ATOM      6  CA  ALA     4      10.417  -1.178  -0.059          0.012
-ATOM      7  CB  ALA     4      10.537  -0.804   0.568          0.003
-ATOM      8  CA  CYS     5      12.597  -4.242  -0.872          0.031
-ATOM      9  CB  CYS     5      12.288  -4.662  -1.954          0.003
-ATOM     10  CA  ALA     6      16.221  -5.518  -1.314          0.133
-ATOM     11  CB  ALA     6      16.904  -5.375  -1.333          0.033
-ATOM     12  CA  ALA     7      14.852  -7.695   1.303          0.134
-ATOM     13  CB  ALA     7      14.903  -7.596  -4.317          0.529
-ATOM     14  CA  ALA     8      14.286 -10.427  -1.140          0.040
-ATOM     15  CB  ALA     8      14.580 -10.737  -1.723          0.100
-ATOM     16  CA  ALA     9      13.799 -13.969  -2.216          0.011
-ATOM     17  CB  ALA     9      14.199 -14.446  -1.779          0.010
-ATOM     18  CA  ALA    10      10.047 -13.345  -2.541          0.004
-ATOM     19  CB  ALA    10      10.003 -12.621  -2.376          0.001
-ATOM     20  CA  ALA    11       8.611 -13.989  -5.994          0.000
-ATOM     21  CB  ALA    11       8.267 -14.589  -6.227          0.002
-ATOM     22  CA  ALA    12       7.826 -10.290  -6.408          0.000
-ATOM     23  CB  ALA    12       7.476  -9.841  -5.930          0.001
-ATOM     24  CA  ALA    13      10.033  -7.414  -7.550          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.793  -4.104  -5.695          0.000
-ATOM     27  CB  CYS    14      10.169  -4.107  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.379  -7.163          0.000
-ATOM     30  CA  ALA    16      10.564   2.374  -4.090          0.000
-ATOM     31  CB  ALA    16      10.917   2.172  -3.469          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.308          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.978          0.000
-ATOM     34  CA  GLY    18       6.820   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.64                                       ENERGY     5.94380E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.605  -0.073          0.000
-ATOM      2  CA  ALA     2       3.859   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.949   0.719   0.952          0.000
-ATOM      4  CA  ALA     3       6.749  -2.151  -0.183          0.003
-ATOM      5  CB  ALA     3       6.922  -2.676  -0.694          0.006
-ATOM      6  CA  ALA     4      10.417  -1.178  -0.060          0.010
-ATOM      7  CB  ALA     4      10.537  -0.804   0.568          0.003
-ATOM      8  CA  CYS     5      12.598  -4.242  -0.871          0.027
-ATOM      9  CB  CYS     5      12.288  -4.662  -1.954          0.002
-ATOM     10  CA  ALA     6      16.222  -5.516  -1.315          0.134
-ATOM     11  CB  ALA     6      16.904  -5.375  -1.333          0.028
-ATOM     12  CA  ALA     7      14.852  -7.695   1.301          0.134
-ATOM     13  CB  ALA     7      14.903  -7.597  -4.315          0.566
-ATOM     14  CA  ALA     8      14.286 -10.427  -1.140          0.033
-ATOM     15  CB  ALA     8      14.580 -10.737  -1.722          0.084
-ATOM     16  CA  ALA     9      13.799 -13.969  -2.215          0.009
-ATOM     17  CB  ALA     9      14.199 -14.446  -1.779          0.008
-ATOM     18  CA  ALA    10      10.047 -13.345  -2.541          0.003
-ATOM     19  CB  ALA    10      10.003 -12.621  -2.376          0.001
-ATOM     20  CA  ALA    11       8.611 -13.989  -5.994          0.000
-ATOM     21  CB  ALA    11       8.267 -14.589  -6.227          0.001
-ATOM     22  CA  ALA    12       7.826 -10.290  -6.408          0.000
-ATOM     23  CB  ALA    12       7.476  -9.841  -5.930          0.001
-ATOM     24  CA  ALA    13      10.033  -7.414  -7.550          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.793  -4.104  -5.695          0.000
-ATOM     27  CB  CYS    14      10.169  -4.107  -4.512          0.000
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.379  -7.163          0.000
-ATOM     30  CA  ALA    16      10.564   2.374  -4.090          0.000
-ATOM     31  CB  ALA    16      10.917   2.172  -3.469          0.000
-ATOM     32  CA  ALA    17      10.236   5.960  -5.308          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.978          0.000
-ATOM     34  CA  GLY    18       6.820   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.65                                       ENERGY     5.92034E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.605  -0.073          0.000
-ATOM      2  CA  ALA     2       3.858   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.949   0.719   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.151  -0.183          0.008
-ATOM      5  CB  ALA     3       6.921  -2.676  -0.694          0.014
-ATOM      6  CA  ALA     4      10.418  -1.179  -0.061          0.025
-ATOM      7  CB  ALA     4      10.537  -0.804   0.569          0.006
-ATOM      8  CA  CYS     5      12.599  -4.243  -0.870          0.063
-ATOM      9  CB  CYS     5      12.288  -4.662  -1.955          0.004
-ATOM     10  CA  ALA     6      16.223  -5.511  -1.317          0.117
-ATOM     11  CB  ALA     6      16.903  -5.373  -1.332          0.062
-ATOM     12  CA  ALA     7      14.850  -7.696   1.297          0.092
-ATOM     13  CB  ALA     7      14.902  -7.598  -4.309          0.351
-ATOM     14  CA  ALA     8      14.287 -10.429  -1.143          0.077
-ATOM     15  CB  ALA     8      14.580 -10.734  -1.719          0.162
-ATOM     16  CA  ALA     9      13.799 -13.973  -2.213          0.024
-ATOM     17  CB  ALA     9      14.198 -14.447  -1.780          0.019
-ATOM     18  CA  ALA    10      10.048 -13.344  -2.541          0.008
-ATOM     19  CB  ALA    10      10.003 -12.621  -2.376          0.002
-ATOM     20  CA  ALA    11       8.610 -13.989  -5.994          0.001
-ATOM     21  CB  ALA    11       8.267 -14.589  -6.228          0.003
-ATOM     22  CA  ALA    12       7.826 -10.290  -6.408          0.001
-ATOM     23  CB  ALA    12       7.476  -9.841  -5.930          0.001
-ATOM     24  CA  ALA    13      10.034  -7.414  -7.550          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.792  -4.104  -5.695          0.000
-ATOM     27  CB  CYS    14      10.169  -4.107  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.379  -7.163          0.001
-ATOM     30  CA  ALA    16      10.564   2.374  -4.090          0.000
-ATOM     31  CB  ALA    16      10.917   2.172  -3.469          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.307          0.001
-ATOM     33  CB  ALA    17      10.480   6.163  -5.978          0.001
-ATOM     34  CA  GLY    18       6.820   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.65                                       ENERGY     5.91237E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.605  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.949   0.719   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.150  -0.183          0.007
-ATOM      5  CB  ALA     3       6.921  -2.676  -0.694          0.012
-ATOM      6  CA  ALA     4      10.418  -1.179  -0.061          0.022
-ATOM      7  CB  ALA     4      10.537  -0.803   0.569          0.005
-ATOM      8  CA  CYS     5      12.600  -4.244  -0.869          0.055
-ATOM      9  CB  CYS     5      12.288  -4.662  -1.955          0.004
-ATOM     10  CA  ALA     6      16.223  -5.509  -1.317          0.124
-ATOM     11  CB  ALA     6      16.903  -5.372  -1.332          0.054
-ATOM     12  CA  ALA     7      14.849  -7.696   1.296          0.101
-ATOM     13  CB  ALA     7      14.901  -7.599  -4.307          0.423
-ATOM     14  CA  ALA     8      14.288 -10.429  -1.144          0.067
-ATOM     15  CB  ALA     8      14.580 -10.733  -1.718          0.143
-ATOM     16  CA  ALA     9      13.798 -13.974  -2.212          0.021
-ATOM     17  CB  ALA     9      14.198 -14.447  -1.780          0.017
-ATOM     18  CA  ALA    10      10.048 -13.343  -2.541          0.007
-ATOM     19  CB  ALA    10      10.002 -12.621  -2.376          0.002
-ATOM     20  CA  ALA    11       8.610 -13.989  -5.995          0.001
-ATOM     21  CB  ALA    11       8.267 -14.589  -6.228          0.003
-ATOM     22  CA  ALA    12       7.826 -10.290  -6.408          0.001
-ATOM     23  CB  ALA    12       7.476  -9.842  -5.930          0.001
-ATOM     24  CA  ALA    13      10.034  -7.414  -7.550          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.792  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.169  -4.107  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.378  -7.163          0.001
-ATOM     30  CA  ALA    16      10.564   2.374  -4.090          0.000
-ATOM     31  CB  ALA    16      10.917   2.172  -3.469          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.307          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.978          0.000
-ATOM     34  CA  GLY    18       6.820   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.65                                       ENERGY     5.90325E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.605  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.949   0.719   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.150  -0.183          0.006
-ATOM      5  CB  ALA     3       6.920  -2.676  -0.694          0.010
-ATOM      6  CA  ALA     4      10.418  -1.179  -0.061          0.019
-ATOM      7  CB  ALA     4      10.538  -0.803   0.569          0.004
-ATOM      8  CA  CYS     5      12.600  -4.244  -0.869          0.047
-ATOM      9  CB  CYS     5      12.288  -4.662  -1.955          0.003
-ATOM     10  CA  ALA     6      16.223  -5.508  -1.318          0.128
-ATOM     11  CB  ALA     6      16.902  -5.371  -1.332          0.046
-ATOM     12  CA  ALA     7      14.848  -7.696   1.295          0.109
-ATOM     13  CB  ALA     7      14.901  -7.599  -4.304          0.488
-ATOM     14  CA  ALA     8      14.288 -10.430  -1.145          0.057
-ATOM     15  CB  ALA     8      14.580 -10.732  -1.717          0.122
-ATOM     16  CA  ALA     9      13.798 -13.976  -2.211          0.018
-ATOM     17  CB  ALA     9      14.198 -14.447  -1.780          0.015
-ATOM     18  CA  ALA    10      10.048 -13.343  -2.541          0.006
-ATOM     19  CB  ALA    10      10.002 -12.622  -2.376          0.001
-ATOM     20  CA  ALA    11       8.610 -13.989  -5.995          0.001
-ATOM     21  CB  ALA    11       8.266 -14.589  -6.228          0.002
-ATOM     22  CA  ALA    12       7.826 -10.290  -6.408          0.000
-ATOM     23  CB  ALA    12       7.476  -9.842  -5.930          0.001
-ATOM     24  CA  ALA    13      10.034  -7.414  -7.550          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.792  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.169  -4.106  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.378  -7.163          0.001
-ATOM     30  CA  ALA    16      10.564   2.374  -4.090          0.000
-ATOM     31  CB  ALA    16      10.917   2.172  -3.469          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.307          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.978          0.000
-ATOM     34  CA  GLY    18       6.820   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.66                                       ENERGY     5.89313E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.605  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.949   0.718   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.150  -0.183          0.005
-ATOM      5  CB  ALA     3       6.920  -2.676  -0.694          0.009
-ATOM      6  CA  ALA     4      10.418  -1.179  -0.062          0.016
-ATOM      7  CB  ALA     4      10.538  -0.803   0.569          0.003
-ATOM      8  CA  CYS     5      12.601  -4.244  -0.868          0.039
-ATOM      9  CB  CYS     5      12.288  -4.663  -1.955          0.003
-ATOM     10  CA  ALA     6      16.224  -5.506  -1.319          0.131
-ATOM     11  CB  ALA     6      16.902  -5.370  -1.332          0.039
-ATOM     12  CA  ALA     7      14.848  -7.697   1.293          0.115
-ATOM     13  CB  ALA     7      14.900  -7.600  -4.302          0.544
-ATOM     14  CA  ALA     8      14.289 -10.430  -1.145          0.048
-ATOM     15  CB  ALA     8      14.580 -10.732  -1.716          0.103
-ATOM     16  CA  ALA     9      13.798 -13.977  -2.211          0.015
-ATOM     17  CB  ALA     9      14.197 -14.448  -1.780          0.013
-ATOM     18  CA  ALA    10      10.048 -13.342  -2.541          0.005
-ATOM     19  CB  ALA    10      10.002 -12.622  -2.376          0.001
-ATOM     20  CA  ALA    11       8.610 -13.989  -5.995          0.001
-ATOM     21  CB  ALA    11       8.266 -14.589  -6.228          0.002
-ATOM     22  CA  ALA    12       7.826 -10.290  -6.408          0.000
-ATOM     23  CB  ALA    12       7.476  -9.842  -5.930          0.001
-ATOM     24  CA  ALA    13      10.034  -7.414  -7.550          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.792  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.169  -4.106  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.378  -7.163          0.001
-ATOM     30  CA  ALA    16      10.564   2.374  -4.090          0.000
-ATOM     31  CB  ALA    16      10.917   2.172  -3.469          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.307          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.978          0.000
-ATOM     34  CA  GLY    18       6.820   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.66                                       ENERGY     5.88221E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.605  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.949   0.718   0.952          0.000
-ATOM      4  CA  ALA     3       6.749  -2.150  -0.184          0.004
-ATOM      5  CB  ALA     3       6.920  -2.676  -0.694          0.007
-ATOM      6  CA  ALA     4      10.419  -1.179  -0.062          0.014
-ATOM      7  CB  ALA     4      10.538  -0.803   0.569          0.003
-ATOM      8  CA  CYS     5      12.601  -4.245  -0.868          0.033
-ATOM      9  CB  CYS     5      12.288  -4.663  -1.955          0.002
-ATOM     10  CA  ALA     6      16.224  -5.504  -1.319          0.133
-ATOM     11  CB  ALA     6      16.902  -5.370  -1.332          0.033
-ATOM     12  CA  ALA     7      14.847  -7.697   1.291          0.118
-ATOM     13  CB  ALA     7      14.900  -7.600  -4.299          0.589
-ATOM     14  CA  ALA     8      14.289 -10.431  -1.146          0.040
-ATOM     15  CB  ALA     8      14.580 -10.731  -1.715          0.087
-ATOM     16  CA  ALA     9      13.798 -13.978  -2.210          0.012
-ATOM     17  CB  ALA     9      14.197 -14.448  -1.780          0.011
-ATOM     18  CA  ALA    10      10.048 -13.342  -2.542          0.004
-ATOM     19  CB  ALA    10      10.002 -12.622  -2.376          0.001
-ATOM     20  CA  ALA    11       8.610 -13.989  -5.995          0.001
-ATOM     21  CB  ALA    11       8.266 -14.589  -6.228          0.002
-ATOM     22  CA  ALA    12       7.826 -10.290  -6.408          0.000
-ATOM     23  CB  ALA    12       7.476  -9.842  -5.930          0.001
-ATOM     24  CA  ALA    13      10.034  -7.414  -7.550          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.792  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.169  -4.106  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.566  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.378  -7.163          0.001
-ATOM     30  CA  ALA    16      10.564   2.374  -4.090          0.000
-ATOM     31  CB  ALA    16      10.917   2.172  -3.469          0.001
-ATOM     32  CA  ALA    17      10.236   5.960  -5.307          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.978          0.000
-ATOM     34  CA  GLY    18       6.820   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.66                                       ENERGY     5.87067E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.605  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.251   0.380          0.000
-ATOM      3  CB  ALA     2       3.949   0.718   0.952          0.000
-ATOM      4  CA  ALA     3       6.749  -2.150  -0.184          0.003
-ATOM      5  CB  ALA     3       6.919  -2.676  -0.694          0.006
-ATOM      6  CA  ALA     4      10.419  -1.180  -0.062          0.011
-ATOM      7  CB  ALA     4      10.538  -0.803   0.569          0.002
-ATOM      8  CA  CYS     5      12.602  -4.245  -0.867          0.028
-ATOM      9  CB  CYS     5      12.288  -4.663  -1.955          0.002
-ATOM     10  CA  ALA     6      16.224  -5.503  -1.320          0.133
-ATOM     11  CB  ALA     6      16.902  -5.369  -1.332          0.027
-ATOM     12  CA  ALA     7      14.847  -7.697   1.289          0.120
-ATOM     13  CB  ALA     7      14.900  -7.601  -4.296          0.619
-ATOM     14  CA  ALA     8      14.289 -10.431  -1.146          0.034
-ATOM     15  CB  ALA     8      14.580 -10.730  -1.714          0.073
-ATOM     16  CA  ALA     9      13.798 -13.979  -2.210          0.010
-ATOM     17  CB  ALA     9      14.197 -14.448  -1.780          0.009
-ATOM     18  CA  ALA    10      10.049 -13.341  -2.542          0.003
-ATOM     19  CB  ALA    10      10.002 -12.622  -2.376          0.001
-ATOM     20  CA  ALA    11       8.610 -13.989  -5.995          0.000
-ATOM     21  CB  ALA    11       8.266 -14.589  -6.228          0.001
-ATOM     22  CA  ALA    12       7.826 -10.290  -6.408          0.000
-ATOM     23  CB  ALA    12       7.476  -9.842  -5.930          0.001
-ATOM     24  CA  ALA    13      10.034  -7.414  -7.550          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.792  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.169  -4.106  -4.512          0.000
-ATOM     28  CA  ALA    15      10.948  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.777  -0.378  -7.163          0.000
-ATOM     30  CA  ALA    16      10.564   2.374  -4.090          0.000
-ATOM     31  CB  ALA    16      10.917   2.172  -3.469          0.001
-ATOM     32  CA  ALA    17      10.237   5.960  -5.307          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.978          0.000
-ATOM     34  CA  GLY    18       6.820   7.425  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.67                                       ENERGY     5.85023E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.605  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.250   0.380          0.000
-ATOM      3  CB  ALA     2       3.949   0.718   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.150  -0.184          0.009
-ATOM      5  CB  ALA     3       6.919  -2.676  -0.694          0.014
-ATOM      6  CA  ALA     4      10.420  -1.180  -0.063          0.029
-ATOM      7  CB  ALA     4      10.538  -0.803   0.569          0.005
-ATOM      8  CA  CYS     5      12.603  -4.246  -0.866          0.072
-ATOM      9  CB  CYS     5      12.287  -4.663  -1.956          0.004
-ATOM     10  CA  ALA     6      16.225  -5.499  -1.321          0.117
-ATOM     11  CB  ALA     6      16.902  -5.367  -1.332          0.065
-ATOM     12  CA  ALA     7      14.845  -7.697   1.287          0.065
-ATOM     13  CB  ALA     7      14.898  -7.603  -4.291          0.371
-ATOM     14  CA  ALA     8      14.290 -10.432  -1.148          0.084
-ATOM     15  CB  ALA     8      14.580 -10.728  -1.712          0.146
-ATOM     16  CA  ALA     9      13.797 -13.982  -2.208          0.028
-ATOM     17  CB  ALA     9      14.196 -14.449  -1.781          0.022
-ATOM     18  CA  ALA    10      10.049 -13.340  -2.542          0.008
-ATOM     19  CB  ALA    10      10.002 -12.622  -2.376          0.002
-ATOM     20  CA  ALA    11       8.610 -13.989  -5.995          0.001
-ATOM     21  CB  ALA    11       8.266 -14.589  -6.229          0.003
-ATOM     22  CA  ALA    12       7.827 -10.290  -6.409          0.001
-ATOM     23  CB  ALA    12       7.477  -9.842  -5.930          0.001
-ATOM     24  CA  ALA    13      10.034  -7.414  -7.550          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.791  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.169  -4.106  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.778  -0.378  -7.163          0.001
-ATOM     30  CA  ALA    16      10.564   2.374  -4.090          0.000
-ATOM     31  CB  ALA    16      10.916   2.172  -3.468          0.001
-ATOM     32  CA  ALA    17      10.237   5.960  -5.307          0.001
-ATOM     33  CB  ALA    17      10.480   6.163  -5.978          0.001
-ATOM     34  CA  GLY    18       6.821   7.426  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.68                                       ENERGY     5.84343E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.605  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.250   0.380          0.000
-ATOM      3  CB  ALA     2       3.949   0.718   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.150  -0.184          0.008
-ATOM      5  CB  ALA     3       6.918  -2.676  -0.694          0.013
-ATOM      6  CA  ALA     4      10.420  -1.181  -0.063          0.026
-ATOM      7  CB  ALA     4      10.538  -0.802   0.569          0.004
-ATOM      8  CA  CYS     5      12.603  -4.246  -0.865          0.064
-ATOM      9  CB  CYS     5      12.287  -4.663  -1.956          0.004
-ATOM     10  CA  ALA     6      16.225  -5.497  -1.322          0.123
-ATOM     11  CB  ALA     6      16.901  -5.366  -1.332          0.058
-ATOM     12  CA  ALA     7      14.844  -7.698   1.286          0.075
-ATOM     13  CB  ALA     7      14.898  -7.603  -4.289          0.443
-ATOM     14  CA  ALA     8      14.291 -10.433  -1.150          0.075
-ATOM     15  CB  ALA     8      14.580 -10.727  -1.711          0.131
-ATOM     16  CA  ALA     9      13.797 -13.983  -2.207          0.025
-ATOM     17  CB  ALA     9      14.196 -14.449  -1.781          0.020
-ATOM     18  CA  ALA    10      10.049 -13.340  -2.542          0.007
-ATOM     19  CB  ALA    10      10.002 -12.622  -2.376          0.001
-ATOM     20  CA  ALA    11       8.610 -13.989  -5.995          0.001
-ATOM     21  CB  ALA    11       8.266 -14.589  -6.229          0.003
-ATOM     22  CA  ALA    12       7.827 -10.290  -6.409          0.001
-ATOM     23  CB  ALA    12       7.477  -9.842  -5.930          0.001
-ATOM     24  CA  ALA    13      10.034  -7.414  -7.549          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.791  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.169  -4.106  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.778  -0.378  -7.163          0.001
-ATOM     30  CA  ALA    16      10.564   2.374  -4.090          0.000
-ATOM     31  CB  ALA    16      10.916   2.172  -3.468          0.001
-ATOM     32  CA  ALA    17      10.237   5.960  -5.307          0.001
-ATOM     33  CB  ALA    17      10.480   6.163  -5.977          0.001
-ATOM     34  CA  GLY    18       6.821   7.426  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.68                                       ENERGY     5.83538E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.605  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.250   0.380          0.000
-ATOM      3  CB  ALA     2       3.950   0.718   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.150  -0.184          0.007
-ATOM      5  CB  ALA     3       6.918  -2.676  -0.694          0.011
-ATOM      6  CA  ALA     4      10.420  -1.181  -0.064          0.023
-ATOM      7  CB  ALA     4      10.538  -0.802   0.570          0.004
-ATOM      8  CA  CYS     5      12.604  -4.247  -0.865          0.055
-ATOM      9  CB  CYS     5      12.287  -4.663  -1.956          0.003
-ATOM     10  CA  ALA     6      16.225  -5.495  -1.323          0.128
-ATOM     11  CB  ALA     6      16.901  -5.365  -1.332          0.051
-ATOM     12  CA  ALA     7      14.844  -7.698   1.285          0.085
-ATOM     13  CB  ALA     7      14.897  -7.604  -4.286          0.512
-ATOM     14  CA  ALA     8      14.291 -10.434  -1.151          0.065
-ATOM     15  CB  ALA     8      14.580 -10.726  -1.710          0.115
-ATOM     16  CA  ALA     9      13.797 -13.985  -2.206          0.022
-ATOM     17  CB  ALA     9      14.195 -14.450  -1.781          0.017
-ATOM     18  CA  ALA    10      10.050 -13.339  -2.542          0.006
-ATOM     19  CB  ALA    10      10.002 -12.622  -2.376          0.001
-ATOM     20  CA  ALA    11       8.610 -13.989  -5.995          0.001
-ATOM     21  CB  ALA    11       8.266 -14.589  -6.229          0.003
-ATOM     22  CA  ALA    12       7.827 -10.290  -6.409          0.001
-ATOM     23  CB  ALA    12       7.477  -9.842  -5.930          0.001
-ATOM     24  CA  ALA    13      10.034  -7.414  -7.549          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.791  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.169  -4.106  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.778  -0.378  -7.163          0.001
-ATOM     30  CA  ALA    16      10.564   2.373  -4.090          0.000
-ATOM     31  CB  ALA    16      10.916   2.172  -3.468          0.001
-ATOM     32  CA  ALA    17      10.237   5.959  -5.307          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.977          0.001
-ATOM     34  CA  GLY    18       6.821   7.426  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.68                                       ENERGY     5.82621E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.605  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.950   0.718   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.150  -0.184          0.006
-ATOM      5  CB  ALA     3       6.917  -2.676  -0.694          0.009
-ATOM      6  CA  ALA     4      10.421  -1.181  -0.064          0.020
-ATOM      7  CB  ALA     4      10.539  -0.802   0.570          0.003
-ATOM      8  CA  CYS     5      12.605  -4.247  -0.864          0.047
-ATOM      9  CB  CYS     5      12.287  -4.664  -1.956          0.003
-ATOM     10  CA  ALA     6      16.225  -5.493  -1.324          0.131
-ATOM     11  CB  ALA     6      16.901  -5.365  -1.332          0.043
-ATOM     12  CA  ALA     7      14.843  -7.698   1.284          0.093
-ATOM     13  CB  ALA     7      14.897  -7.605  -4.284          0.572
-ATOM     14  CA  ALA     8      14.292 -10.434  -1.151          0.056
-ATOM     15  CB  ALA     8      14.580 -10.726  -1.709          0.098
-ATOM     16  CA  ALA     9      13.796 -13.986  -2.205          0.018
-ATOM     17  CB  ALA     9      14.195 -14.450  -1.781          0.015
-ATOM     18  CA  ALA    10      10.050 -13.339  -2.542          0.006
-ATOM     19  CB  ALA    10      10.002 -12.622  -2.376          0.001
-ATOM     20  CA  ALA    11       8.610 -13.989  -5.995          0.001
-ATOM     21  CB  ALA    11       8.265 -14.589  -6.229          0.002
-ATOM     22  CA  ALA    12       7.827 -10.290  -6.409          0.000
-ATOM     23  CB  ALA    12       7.477  -9.842  -5.930          0.001
-ATOM     24  CA  ALA    13      10.035  -7.414  -7.549          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.289          0.000
-ATOM     26  CA  CYS    14       9.791  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.169  -4.106  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.778  -0.378  -7.163          0.001
-ATOM     30  CA  ALA    16      10.564   2.373  -4.090          0.000
-ATOM     31  CB  ALA    16      10.916   2.172  -3.468          0.001
-ATOM     32  CA  ALA    17      10.237   5.959  -5.307          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.977          0.001
-ATOM     34  CA  GLY    18       6.821   7.426  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.69                                       ENERGY     5.81610E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.950   0.718   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.150  -0.184          0.005
-ATOM      5  CB  ALA     3       6.917  -2.675  -0.694          0.008
-ATOM      6  CA  ALA     4      10.421  -1.181  -0.064          0.017
-ATOM      7  CB  ALA     4      10.539  -0.802   0.570          0.002
-ATOM      8  CA  CYS     5      12.605  -4.247  -0.864          0.039
-ATOM      9  CB  CYS     5      12.287  -4.664  -1.956          0.003
-ATOM     10  CA  ALA     6      16.226  -5.491  -1.325          0.133
-ATOM     11  CB  ALA     6      16.901  -5.364  -1.332          0.037
-ATOM     12  CA  ALA     7      14.843  -7.698   1.283          0.100
-ATOM     13  CB  ALA     7      14.896  -7.606  -4.281          0.620
-ATOM     14  CA  ALA     8      14.292 -10.435  -1.152          0.047
-ATOM     15  CB  ALA     8      14.580 -10.725  -1.708          0.083
-ATOM     16  CA  ALA     9      13.796 -13.987  -2.205          0.015
-ATOM     17  CB  ALA     9      14.195 -14.450  -1.781          0.013
-ATOM     18  CA  ALA    10      10.050 -13.338  -2.542          0.005
-ATOM     19  CB  ALA    10      10.002 -12.623  -2.376          0.001
-ATOM     20  CA  ALA    11       8.610 -13.989  -5.995          0.001
-ATOM     21  CB  ALA    11       8.265 -14.589  -6.229          0.002
-ATOM     22  CA  ALA    12       7.827 -10.290  -6.409          0.000
-ATOM     23  CB  ALA    12       7.477  -9.842  -5.930          0.001
-ATOM     24  CA  ALA    13      10.035  -7.414  -7.549          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.791  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.169  -4.106  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.778  -0.378  -7.163          0.001
-ATOM     30  CA  ALA    16      10.564   2.373  -4.090          0.000
-ATOM     31  CB  ALA    16      10.916   2.172  -3.468          0.001
-ATOM     32  CA  ALA    17      10.237   5.959  -5.306          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.977          0.000
-ATOM     34  CA  GLY    18       6.821   7.426  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.69                                       ENERGY     5.80523E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.950   0.718   0.952          0.000
-ATOM      4  CA  ALA     3       6.749  -2.150  -0.185          0.004
-ATOM      5  CB  ALA     3       6.917  -2.675  -0.694          0.007
-ATOM      6  CA  ALA     4      10.421  -1.182  -0.064          0.014
-ATOM      7  CB  ALA     4      10.539  -0.802   0.570          0.002
-ATOM      8  CA  CYS     5      12.605  -4.247  -0.863          0.033
-ATOM      9  CB  CYS     5      12.287  -4.664  -1.957          0.002
-ATOM     10  CA  ALA     6      16.226  -5.490  -1.325          0.134
-ATOM     11  CB  ALA     6      16.901  -5.363  -1.331          0.031
-ATOM     12  CA  ALA     7      14.842  -7.698   1.281          0.104
-ATOM     13  CB  ALA     7      14.896  -7.606  -4.278          0.658
-ATOM     14  CA  ALA     8      14.292 -10.435  -1.153          0.039
-ATOM     15  CB  ALA     8      14.580 -10.724  -1.707          0.070
-ATOM     16  CA  ALA     9      13.796 -13.988  -2.204          0.013
-ATOM     17  CB  ALA     9      14.195 -14.451  -1.782          0.011
-ATOM     18  CA  ALA    10      10.050 -13.338  -2.542          0.004
-ATOM     19  CB  ALA    10      10.002 -12.623  -2.376          0.001
-ATOM     20  CA  ALA    11       8.610 -13.989  -5.996          0.001
-ATOM     21  CB  ALA    11       8.265 -14.589  -6.229          0.002
-ATOM     22  CA  ALA    12       7.827 -10.290  -6.409          0.000
-ATOM     23  CB  ALA    12       7.477  -9.842  -5.930          0.001
-ATOM     24  CA  ALA    13      10.035  -7.414  -7.549          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.791  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.169  -4.105  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.778  -0.378  -7.163          0.001
-ATOM     30  CA  ALA    16      10.564   2.373  -4.090          0.000
-ATOM     31  CB  ALA    16      10.916   2.172  -3.468          0.001
-ATOM     32  CA  ALA    17      10.237   5.959  -5.306          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.977          0.000
-ATOM     34  CA  GLY    18       6.821   7.426  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.70                                       ENERGY     5.79377E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.950   0.718   0.952          0.000
-ATOM      4  CA  ALA     3       6.749  -2.149  -0.185          0.004
-ATOM      5  CB  ALA     3       6.916  -2.675  -0.694          0.006
-ATOM      6  CA  ALA     4      10.422  -1.182  -0.065          0.012
-ATOM      7  CB  ALA     4      10.539  -0.802   0.570          0.002
-ATOM      8  CA  CYS     5      12.606  -4.248  -0.863          0.028
-ATOM      9  CB  CYS     5      12.287  -4.664  -1.957          0.002
-ATOM     10  CA  ALA     6      16.226  -5.488  -1.326          0.134
-ATOM     11  CB  ALA     6      16.901  -5.363  -1.331          0.026
-ATOM     12  CA  ALA     7      14.842  -7.698   1.279          0.107
-ATOM     13  CB  ALA     7      14.896  -7.607  -4.275          0.684
-ATOM     14  CA  ALA     8      14.293 -10.435  -1.153          0.033
-ATOM     15  CB  ALA     8      14.580 -10.724  -1.707          0.059
-ATOM     16  CA  ALA     9      13.796 -13.989  -2.204          0.011
-ATOM     17  CB  ALA     9      14.194 -14.451  -1.782          0.009
-ATOM     18  CA  ALA    10      10.050 -13.338  -2.543          0.003
-ATOM     19  CB  ALA    10      10.002 -12.623  -2.376          0.001
-ATOM     20  CA  ALA    11       8.610 -13.989  -5.996          0.000
-ATOM     21  CB  ALA    11       8.265 -14.589  -6.229          0.001
-ATOM     22  CA  ALA    12       7.827 -10.290  -6.409          0.000
-ATOM     23  CB  ALA    12       7.477  -9.842  -5.930          0.001
-ATOM     24  CA  ALA    13      10.035  -7.414  -7.549          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.791  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.169  -4.105  -4.512          0.000
-ATOM     28  CA  ALA    15      10.948  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.778  -0.378  -7.163          0.000
-ATOM     30  CA  ALA    16      10.564   2.373  -4.090          0.000
-ATOM     31  CB  ALA    16      10.916   2.172  -3.468          0.001
-ATOM     32  CA  ALA    17      10.237   5.959  -5.306          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.977          0.000
-ATOM     34  CA  GLY    18       6.821   7.426  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.71                                       ENERGY     5.77555E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.950   0.718   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.149  -0.185          0.010
-ATOM      5  CB  ALA     3       6.916  -2.675  -0.694          0.013
-ATOM      6  CA  ALA     4      10.422  -1.183  -0.065          0.031
-ATOM      7  CB  ALA     4      10.539  -0.801   0.570          0.004
-ATOM      8  CA  CYS     5      12.607  -4.248  -0.861          0.076
-ATOM      9  CB  CYS     5      12.287  -4.664  -1.957          0.004
-ATOM     10  CA  ALA     6      16.226  -5.484  -1.328          0.122
-ATOM     11  CB  ALA     6      16.901  -5.361  -1.331          0.064
-ATOM     12  CA  ALA     7      14.840  -7.698   1.277          0.047
-ATOM     13  CB  ALA     7      14.894  -7.609  -4.269          0.434
-ATOM     14  CA  ALA     8      14.294 -10.437  -1.156          0.085
-ATOM     15  CB  ALA     8      14.580 -10.722  -1.705          0.118
-ATOM     16  CA  ALA     9      13.795 -13.993  -2.202          0.029
-ATOM     17  CB  ALA     9      14.194 -14.452  -1.782          0.023
-ATOM     18  CA  ALA    10      10.051 -13.337  -2.543          0.008
-ATOM     19  CB  ALA    10      10.002 -12.623  -2.376          0.001
-ATOM     20  CA  ALA    11       8.610 -13.988  -5.996          0.001
-ATOM     21  CB  ALA    11       8.265 -14.589  -6.230          0.003
-ATOM     22  CA  ALA    12       7.827 -10.290  -6.410          0.001
-ATOM     23  CB  ALA    12       7.477  -9.843  -5.930          0.001
-ATOM     24  CA  ALA    13      10.035  -7.414  -7.549          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.790  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.105  -4.512          0.001
-ATOM     28  CA  ALA    15      10.948  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.778  -0.377  -7.163          0.001
-ATOM     30  CA  ALA    16      10.564   2.373  -4.090          0.001
-ATOM     31  CB  ALA    16      10.916   2.172  -3.468          0.001
-ATOM     32  CA  ALA    17      10.237   5.959  -5.306          0.001
-ATOM     33  CB  ALA    17      10.480   6.163  -5.977          0.001
-ATOM     34  CA  GLY    18       6.821   7.426  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.71                                       ENERGY     5.76918E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.950   0.718   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.149  -0.185          0.009
-ATOM      5  CB  ALA     3       6.915  -2.675  -0.694          0.012
-ATOM      6  CA  ALA     4      10.423  -1.183  -0.066          0.028
-ATOM      7  CB  ALA     4      10.539  -0.801   0.570          0.003
-ATOM      8  CA  CYS     5      12.608  -4.249  -0.861          0.067
-ATOM      9  CB  CYS     5      12.287  -4.665  -1.957          0.003
-ATOM     10  CA  ALA     6      16.226  -5.482  -1.330          0.126
-ATOM     11  CB  ALA     6      16.900  -5.360  -1.331          0.058
-ATOM     12  CA  ALA     7      14.839  -7.698   1.277          0.057
-ATOM     13  CB  ALA     7      14.894  -7.610  -4.267          0.507
-ATOM     14  CA  ALA     8      14.294 -10.437  -1.157          0.076
-ATOM     15  CB  ALA     8      14.581 -10.721  -1.704          0.107
-ATOM     16  CA  ALA     9      13.795 -13.994  -2.201          0.026
-ATOM     17  CB  ALA     9      14.193 -14.452  -1.782          0.021
-ATOM     18  CA  ALA    10      10.051 -13.336  -2.543          0.007
-ATOM     19  CB  ALA    10      10.002 -12.623  -2.376          0.001
-ATOM     20  CA  ALA    11       8.610 -13.988  -5.996          0.001
-ATOM     21  CB  ALA    11       8.265 -14.589  -6.230          0.003
-ATOM     22  CA  ALA    12       7.827 -10.290  -6.410          0.001
-ATOM     23  CB  ALA    12       7.477  -9.843  -5.930          0.001
-ATOM     24  CA  ALA    13      10.035  -7.414  -7.549          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.790  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.105  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.778  -0.377  -7.162          0.001
-ATOM     30  CA  ALA    16      10.564   2.373  -4.090          0.000
-ATOM     31  CB  ALA    16      10.916   2.173  -3.468          0.001
-ATOM     32  CA  ALA    17      10.237   5.959  -5.306          0.001
-ATOM     33  CB  ALA    17      10.480   6.163  -5.977          0.001
-ATOM     34  CA  GLY    18       6.821   7.426  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.71                                       ENERGY     5.76154E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.950   0.717   0.952          0.001
-ATOM      4  CA  ALA     3       6.749  -2.149  -0.185          0.008
-ATOM      5  CB  ALA     3       6.915  -2.675  -0.694          0.011
-ATOM      6  CA  ALA     4      10.423  -1.183  -0.066          0.025
-ATOM      7  CB  ALA     4      10.540  -0.801   0.570          0.003
-ATOM      8  CA  CYS     5      12.608  -4.249  -0.860          0.058
-ATOM      9  CB  CYS     5      12.287  -4.665  -1.957          0.003
-ATOM     10  CA  ALA     6      16.227  -5.480  -1.331          0.129
-ATOM     11  CB  ALA     6      16.900  -5.359  -1.331          0.051
-ATOM     12  CA  ALA     7      14.839  -7.698   1.276          0.066
-ATOM     13  CB  ALA     7      14.893  -7.611  -4.265          0.572
-ATOM     14  CA  ALA     8      14.294 -10.438  -1.158          0.066
-ATOM     15  CB  ALA     8      14.581 -10.720  -1.703          0.093
-ATOM     16  CA  ALA     9      13.794 -13.996  -2.200          0.023
-ATOM     17  CB  ALA     9      14.193 -14.452  -1.782          0.019
-ATOM     18  CA  ALA    10      10.051 -13.336  -2.543          0.006
-ATOM     19  CB  ALA    10      10.002 -12.623  -2.376          0.001
-ATOM     20  CA  ALA    11       8.609 -13.988  -5.996          0.001
-ATOM     21  CB  ALA    11       8.265 -14.589  -6.230          0.003
-ATOM     22  CA  ALA    12       7.827 -10.290  -6.410          0.001
-ATOM     23  CB  ALA    12       7.477  -9.843  -5.930          0.001
-ATOM     24  CA  ALA    13      10.035  -7.414  -7.549          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.790  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.105  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.778  -0.377  -7.162          0.001
-ATOM     30  CA  ALA    16      10.564   2.373  -4.090          0.000
-ATOM     31  CB  ALA    16      10.916   2.173  -3.468          0.001
-ATOM     32  CA  ALA    17      10.237   5.959  -5.306          0.001
-ATOM     33  CB  ALA    17      10.480   6.163  -5.977          0.001
-ATOM     34  CA  GLY    18       6.821   7.426  -4.510          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.72                                       ENERGY     5.75275E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.950   0.717   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.149  -0.185          0.007
-ATOM      5  CB  ALA     3       6.914  -2.675  -0.694          0.009
-ATOM      6  CA  ALA     4      10.423  -1.184  -0.066          0.021
-ATOM      7  CB  ALA     4      10.540  -0.801   0.570          0.002
-ATOM      8  CA  CYS     5      12.609  -4.249  -0.859          0.050
-ATOM      9  CB  CYS     5      12.287  -4.665  -1.957          0.003
-ATOM     10  CA  ALA     6      16.227  -5.478  -1.332          0.132
-ATOM     11  CB  ALA     6      16.900  -5.358  -1.331          0.044
-ATOM     12  CA  ALA     7      14.838  -7.698   1.275          0.076
-ATOM     13  CB  ALA     7      14.893  -7.612  -4.262          0.632
-ATOM     14  CA  ALA     8      14.295 -10.438  -1.159          0.057
-ATOM     15  CB  ALA     8      14.581 -10.719  -1.703          0.081
-ATOM     16  CA  ALA     9      13.794 -13.997  -2.200          0.020
-ATOM     17  CB  ALA     9      14.193 -14.453  -1.783          0.016
-ATOM     18  CA  ALA    10      10.052 -13.335  -2.543          0.005
-ATOM     19  CB  ALA    10      10.002 -12.623  -2.376          0.001
-ATOM     20  CA  ALA    11       8.609 -13.988  -5.996          0.001
-ATOM     21  CB  ALA    11       8.265 -14.589  -6.230          0.002
-ATOM     22  CA  ALA    12       7.827 -10.290  -6.410          0.000
-ATOM     23  CB  ALA    12       7.478  -9.843  -5.930          0.001
-ATOM     24  CA  ALA    13      10.035  -7.414  -7.549          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.790  -4.104  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.105  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.778  -0.377  -7.162          0.001
-ATOM     30  CA  ALA    16      10.564   2.373  -4.090          0.000
-ATOM     31  CB  ALA    16      10.916   2.173  -3.468          0.001
-ATOM     32  CA  ALA    17      10.237   5.959  -5.306          0.001
-ATOM     33  CB  ALA    17      10.480   6.163  -5.977          0.001
-ATOM     34  CA  GLY    18       6.821   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.72                                       ENERGY     5.74300E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.950   0.717   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.149  -0.185          0.006
-ATOM      5  CB  ALA     3       6.914  -2.675  -0.694          0.008
-ATOM      6  CA  ALA     4      10.424  -1.184  -0.067          0.018
-ATOM      7  CB  ALA     4      10.540  -0.801   0.570          0.002
-ATOM      8  CA  CYS     5      12.609  -4.250  -0.859          0.042
-ATOM      9  CB  CYS     5      12.287  -4.665  -1.958          0.002
-ATOM     10  CA  ALA     6      16.227  -5.477  -1.332          0.134
-ATOM     11  CB  ALA     6      16.900  -5.357  -1.331          0.038
-ATOM     12  CA  ALA     7      14.838  -7.698   1.274          0.083
-ATOM     13  CB  ALA     7      14.892  -7.613  -4.259          0.678
-ATOM     14  CA  ALA     8      14.295 -10.439  -1.160          0.048
-ATOM     15  CB  ALA     8      14.581 -10.718  -1.702          0.069
-ATOM     16  CA  ALA     9      13.794 -13.998  -2.199          0.017
-ATOM     17  CB  ALA     9      14.193 -14.453  -1.783          0.014
-ATOM     18  CA  ALA    10      10.052 -13.335  -2.543          0.005
-ATOM     19  CB  ALA    10      10.002 -12.623  -2.376          0.001
-ATOM     20  CA  ALA    11       8.609 -13.988  -5.996          0.001
-ATOM     21  CB  ALA    11       8.264 -14.589  -6.230          0.002
-ATOM     22  CA  ALA    12       7.827 -10.291  -6.410          0.000
-ATOM     23  CB  ALA    12       7.478  -9.843  -5.930          0.001
-ATOM     24  CA  ALA    13      10.035  -7.414  -7.549          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.790  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.105  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.778  -0.377  -7.162          0.001
-ATOM     30  CA  ALA    16      10.563   2.373  -4.090          0.000
-ATOM     31  CB  ALA    16      10.916   2.173  -3.468          0.001
-ATOM     32  CA  ALA    17      10.237   5.959  -5.306          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.976          0.001
-ATOM     34  CA  GLY    18       6.821   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.72                                       ENERGY     5.73245E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.072          0.000
-ATOM      2  CA  ALA     2       3.858   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.950   0.717   0.951          0.000
-ATOM      4  CA  ALA     3       6.749  -2.149  -0.186          0.005
-ATOM      5  CB  ALA     3       6.914  -2.675  -0.694          0.006
-ATOM      6  CA  ALA     4      10.424  -1.184  -0.067          0.015
-ATOM      7  CB  ALA     4      10.540  -0.801   0.570          0.001
-ATOM      8  CA  CYS     5      12.610  -4.250  -0.858          0.035
-ATOM      9  CB  CYS     5      12.287  -4.665  -1.958          0.002
-ATOM     10  CA  ALA     6      16.227  -5.475  -1.333          0.134
-ATOM     11  CB  ALA     6      16.900  -5.357  -1.331          0.032
-ATOM     12  CA  ALA     7      14.837  -7.698   1.273          0.090
-ATOM     13  CB  ALA     7      14.892  -7.613  -4.256          0.712
-ATOM     14  CA  ALA     8      14.295 -10.439  -1.160          0.040
-ATOM     15  CB  ALA     8      14.581 -10.718  -1.701          0.058
-ATOM     16  CA  ALA     9      13.793 -13.999  -2.199          0.014
-ATOM     17  CB  ALA     9      14.192 -14.453  -1.783          0.012
-ATOM     18  CA  ALA    10      10.052 -13.335  -2.544          0.004
-ATOM     19  CB  ALA    10      10.002 -12.623  -2.376          0.001
-ATOM     20  CA  ALA    11       8.609 -13.988  -5.996          0.001
-ATOM     21  CB  ALA    11       8.264 -14.589  -6.231          0.002
-ATOM     22  CA  ALA    12       7.827 -10.291  -6.410          0.000
-ATOM     23  CB  ALA    12       7.478  -9.843  -5.930          0.001
-ATOM     24  CA  ALA    13      10.035  -7.414  -7.549          0.000
-ATOM     25  CB  ALA    13      10.095  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.790  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.105  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.778  -0.377  -7.162          0.001
-ATOM     30  CA  ALA    16      10.563   2.373  -4.090          0.000
-ATOM     31  CB  ALA    16      10.916   2.173  -3.467          0.001
-ATOM     32  CA  ALA    17      10.237   5.959  -5.306          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.976          0.000
-ATOM     34  CA  GLY    18       6.821   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.73                                       ENERGY     5.72127E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.072          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.950   0.717   0.951          0.000
-ATOM      4  CA  ALA     3       6.749  -2.149  -0.186          0.004
-ATOM      5  CB  ALA     3       6.913  -2.675  -0.694          0.005
-ATOM      6  CA  ALA     4      10.424  -1.185  -0.067          0.013
-ATOM      7  CB  ALA     4      10.540  -0.801   0.570          0.001
-ATOM      8  CA  CYS     5      12.610  -4.250  -0.858          0.030
-ATOM      9  CB  CYS     5      12.287  -4.665  -1.958          0.002
-ATOM     10  CA  ALA     6      16.227  -5.474  -1.334          0.134
-ATOM     11  CB  ALA     6      16.900  -5.356  -1.331          0.027
-ATOM     12  CA  ALA     7      14.837  -7.698   1.271          0.094
-ATOM     13  CB  ALA     7      14.891  -7.614  -4.253          0.736
-ATOM     14  CA  ALA     8      14.296 -10.439  -1.161          0.034
-ATOM     15  CB  ALA     8      14.581 -10.717  -1.701          0.049
-ATOM     16  CA  ALA     9      13.793 -14.000  -2.198          0.012
-ATOM     17  CB  ALA     9      14.192 -14.454  -1.783          0.010
-ATOM     18  CA  ALA    10      10.052 -13.334  -2.544          0.003
-ATOM     19  CB  ALA    10      10.002 -12.624  -2.376          0.000
-ATOM     20  CA  ALA    11       8.609 -13.988  -5.996          0.000
-ATOM     21  CB  ALA    11       8.264 -14.589  -6.231          0.001
-ATOM     22  CA  ALA    12       7.828 -10.291  -6.410          0.000
-ATOM     23  CB  ALA    12       7.478  -9.843  -5.930          0.001
-ATOM     24  CA  ALA    13      10.035  -7.414  -7.549          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.790  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.105  -4.512          0.000
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.466          0.000
-ATOM     29  CB  ALA    15      10.778  -0.377  -7.162          0.001
-ATOM     30  CA  ALA    16      10.563   2.373  -4.090          0.000
-ATOM     31  CB  ALA    16      10.916   2.173  -3.467          0.001
-ATOM     32  CA  ALA    17      10.237   5.959  -5.305          0.000
-ATOM     33  CB  ALA    17      10.480   6.163  -5.976          0.000
-ATOM     34  CA  GLY    18       6.821   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.74                                       ENERGY     5.70275E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.950   0.717   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.149  -0.186          0.011
-ATOM      5  CB  ALA     3       6.913  -2.675  -0.694          0.013
-ATOM      6  CA  ALA     4      10.425  -1.186  -0.068          0.034
-ATOM      7  CB  ALA     4      10.540  -0.801   0.571          0.003
-ATOM      8  CA  CYS     5      12.612  -4.251  -0.856          0.082
-ATOM      9  CB  CYS     5      12.287  -4.665  -1.958          0.003
-ATOM     10  CA  ALA     6      16.227  -5.469  -1.336          0.125
-ATOM     11  CB  ALA     6      16.900  -5.354  -1.331          0.067
-ATOM     12  CA  ALA     7      14.836  -7.698   1.269          0.027
-ATOM     13  CB  ALA     7      14.890  -7.616  -4.247          0.462
-ATOM     14  CA  ALA     8      14.296 -10.440  -1.163          0.088
-ATOM     15  CB  ALA     8      14.581 -10.715  -1.699          0.095
-ATOM     16  CA  ALA     9      13.792 -14.003  -2.196          0.032
-ATOM     17  CB  ALA     9      14.191 -14.455  -1.783          0.024
-ATOM     18  CA  ALA    10      10.053 -13.333  -2.544          0.008
-ATOM     19  CB  ALA    10      10.001 -12.624  -2.376          0.001
-ATOM     20  CA  ALA    11       8.609 -13.988  -5.996          0.001
-ATOM     21  CB  ALA    11       8.264 -14.589  -6.231          0.004
-ATOM     22  CA  ALA    12       7.828 -10.291  -6.411          0.001
-ATOM     23  CB  ALA    12       7.478  -9.843  -5.930          0.001
-ATOM     24  CA  ALA    13      10.036  -7.414  -7.548          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.789  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.104  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.779  -0.377  -7.162          0.001
-ATOM     30  CA  ALA    16      10.563   2.373  -4.090          0.001
-ATOM     31  CB  ALA    16      10.915   2.173  -3.467          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.305          0.001
-ATOM     33  CB  ALA    17      10.480   6.163  -5.976          0.001
-ATOM     34  CA  GLY    18       6.821   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.74                                       ENERGY     5.69743E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.950   0.717   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.149  -0.186          0.010
-ATOM      5  CB  ALA     3       6.912  -2.675  -0.694          0.012
-ATOM      6  CA  ALA     4      10.426  -1.186  -0.068          0.031
-ATOM      7  CB  ALA     4      10.540  -0.801   0.571          0.002
-ATOM      8  CA  CYS     5      12.612  -4.251  -0.856          0.074
-ATOM      9  CB  CYS     5      12.287  -4.666  -1.958          0.003
-ATOM     10  CA  ALA     6      16.227  -5.467  -1.337          0.129
-ATOM     11  CB  ALA     6      16.900  -5.353  -1.331          0.062
-ATOM     12  CA  ALA     7      14.835  -7.698   1.269          0.036
-ATOM     13  CB  ALA     7      14.889  -7.618  -4.245          0.537
-ATOM     14  CA  ALA     8      14.297 -10.441  -1.164          0.080
-ATOM     15  CB  ALA     8      14.582 -10.714  -1.699          0.087
-ATOM     16  CA  ALA     9      13.792 -14.005  -2.196          0.029
-ATOM     17  CB  ALA     9      14.191 -14.455  -1.783          0.023
-ATOM     18  CA  ALA    10      10.053 -13.333  -2.544          0.007
-ATOM     19  CB  ALA    10      10.001 -12.624  -2.376          0.001
-ATOM     20  CA  ALA    11       8.609 -13.988  -5.996          0.001
-ATOM     21  CB  ALA    11       8.264 -14.589  -6.231          0.003
-ATOM     22  CA  ALA    12       7.828 -10.291  -6.411          0.001
-ATOM     23  CB  ALA    12       7.478  -9.843  -5.930          0.001
-ATOM     24  CA  ALA    13      10.036  -7.414  -7.548          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.789  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.104  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.779  -0.377  -7.162          0.001
-ATOM     30  CA  ALA    16      10.563   2.373  -4.090          0.001
-ATOM     31  CB  ALA    16      10.915   2.173  -3.467          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.305          0.001
-ATOM     33  CB  ALA    17      10.480   6.163  -5.976          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.74                                       ENERGY     5.69075E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.717   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.148  -0.186          0.009
-ATOM      5  CB  ALA     3       6.912  -2.675  -0.694          0.011
-ATOM      6  CA  ALA     4      10.426  -1.187  -0.069          0.028
-ATOM      7  CB  ALA     4      10.541  -0.800   0.571          0.002
-ATOM      8  CA  CYS     5      12.613  -4.251  -0.855          0.065
-ATOM      9  CB  CYS     5      12.287  -4.666  -1.958          0.003
-ATOM     10  CA  ALA     6      16.227  -5.465  -1.339          0.131
-ATOM     11  CB  ALA     6      16.900  -5.352  -1.331          0.055
-ATOM     12  CA  ALA     7      14.834  -7.698   1.269          0.046
-ATOM     13  CB  ALA     7      14.889  -7.619  -4.243          0.607
-ATOM     14  CA  ALA     8      14.297 -10.441  -1.165          0.071
-ATOM     15  CB  ALA     8      14.582 -10.713  -1.698          0.078
-ATOM     16  CA  ALA     9      13.792 -14.006  -2.195          0.026
-ATOM     17  CB  ALA     9      14.191 -14.455  -1.784          0.021
-ATOM     18  CA  ALA    10      10.054 -13.332  -2.544          0.006
-ATOM     19  CB  ALA    10      10.001 -12.624  -2.376          0.001
-ATOM     20  CA  ALA    11       8.609 -13.988  -5.997          0.001
-ATOM     21  CB  ALA    11       8.264 -14.589  -6.231          0.003
-ATOM     22  CA  ALA    12       7.828 -10.291  -6.411          0.001
-ATOM     23  CB  ALA    12       7.478  -9.844  -5.930          0.001
-ATOM     24  CA  ALA    13      10.036  -7.414  -7.548          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.789  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.104  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.779  -0.377  -7.162          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.090          0.001
-ATOM     31  CB  ALA    16      10.915   2.173  -3.467          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.305          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.976          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.75                                       ENERGY     5.68286E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.717   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.148  -0.186          0.008
-ATOM      5  CB  ALA     3       6.911  -2.675  -0.694          0.009
-ATOM      6  CA  ALA     4      10.426  -1.187  -0.069          0.024
-ATOM      7  CB  ALA     4      10.541  -0.800   0.571          0.002
-ATOM      8  CA  CYS     5      12.613  -4.251  -0.854          0.056
-ATOM      9  CB  CYS     5      12.287  -4.666  -1.958          0.003
-ATOM     10  CA  ALA     6      16.227  -5.463  -1.340          0.134
-ATOM     11  CB  ALA     6      16.900  -5.351  -1.331          0.048
-ATOM     12  CA  ALA     7      14.834  -7.698   1.269          0.056
-ATOM     13  CB  ALA     7      14.888  -7.620  -4.240          0.668
-ATOM     14  CA  ALA     8      14.297 -10.442  -1.166          0.062
-ATOM     15  CB  ALA     8      14.582 -10.713  -1.697          0.068
-ATOM     16  CA  ALA     9      13.791 -14.008  -2.194          0.022
-ATOM     17  CB  ALA     9      14.190 -14.456  -1.784          0.018
-ATOM     18  CA  ALA    10      10.054 -13.332  -2.544          0.006
-ATOM     19  CB  ALA    10      10.001 -12.624  -2.376          0.001
-ATOM     20  CA  ALA    11       8.609 -13.988  -5.997          0.001
-ATOM     21  CB  ALA    11       8.264 -14.589  -6.232          0.003
-ATOM     22  CA  ALA    12       7.828 -10.291  -6.411          0.001
-ATOM     23  CB  ALA    12       7.478  -9.844  -5.930          0.001
-ATOM     24  CA  ALA    13      10.036  -7.414  -7.548          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.789  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.104  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.779  -0.377  -7.162          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.090          0.000
-ATOM     31  CB  ALA    16      10.915   2.173  -3.467          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.305          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.976          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.75                                       ENERGY     5.67389E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.717   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.148  -0.186          0.007
-ATOM      5  CB  ALA     3       6.911  -2.674  -0.694          0.008
-ATOM      6  CA  ALA     4      10.427  -1.187  -0.069          0.021
-ATOM      7  CB  ALA     4      10.541  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.614  -4.252  -0.854          0.048
-ATOM      9  CB  CYS     5      12.286  -4.666  -1.959          0.002
-ATOM     10  CA  ALA     6      16.227  -5.461  -1.341          0.135
-ATOM     11  CB  ALA     6      16.900  -5.351  -1.331          0.042
-ATOM     12  CA  ALA     7      14.833  -7.698   1.268          0.065
-ATOM     13  CB  ALA     7      14.887  -7.621  -4.237          0.716
-ATOM     14  CA  ALA     8      14.298 -10.442  -1.167          0.052
-ATOM     15  CB  ALA     8      14.582 -10.712  -1.697          0.059
-ATOM     16  CA  ALA     9      13.791 -14.009  -2.194          0.019
-ATOM     17  CB  ALA     9      14.190 -14.456  -1.784          0.016
-ATOM     18  CA  ALA    10      10.054 -13.332  -2.545          0.005
-ATOM     19  CB  ALA    10      10.001 -12.624  -2.376          0.001
-ATOM     20  CA  ALA    11       8.609 -13.987  -5.997          0.001
-ATOM     21  CB  ALA    11       8.263 -14.589  -6.232          0.002
-ATOM     22  CA  ALA    12       7.828 -10.291  -6.411          0.000
-ATOM     23  CB  ALA    12       7.478  -9.844  -5.930          0.001
-ATOM     24  CA  ALA    13      10.036  -7.414  -7.548          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.789  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.104  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.779  -0.376  -7.162          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.089          0.000
-ATOM     31  CB  ALA    16      10.915   2.173  -3.467          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.305          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.976          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.75                                       ENERGY     5.66402E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.717   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.148  -0.187          0.006
-ATOM      5  CB  ALA     3       6.911  -2.674  -0.694          0.007
-ATOM      6  CA  ALA     4      10.427  -1.188  -0.070          0.018
-ATOM      7  CB  ALA     4      10.541  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.614  -4.252  -0.853          0.040
-ATOM      9  CB  CYS     5      12.286  -4.666  -1.959          0.002
-ATOM     10  CA  ALA     6      16.227  -5.460  -1.342          0.134
-ATOM     11  CB  ALA     6      16.900  -5.350  -1.331          0.036
-ATOM     12  CA  ALA     7      14.833  -7.698   1.266          0.072
-ATOM     13  CB  ALA     7      14.887  -7.622  -4.234          0.748
-ATOM     14  CA  ALA     8      14.298 -10.443  -1.168          0.044
-ATOM     15  CB  ALA     8      14.582 -10.711  -1.696          0.049
-ATOM     16  CA  ALA     9      13.791 -14.010  -2.193          0.016
-ATOM     17  CB  ALA     9      14.190 -14.457  -1.784          0.014
-ATOM     18  CA  ALA    10      10.054 -13.331  -2.545          0.004
-ATOM     19  CB  ALA    10      10.001 -12.624  -2.376          0.000
-ATOM     20  CA  ALA    11       8.609 -13.987  -5.997          0.001
-ATOM     21  CB  ALA    11       8.263 -14.589  -6.232          0.002
-ATOM     22  CA  ALA    12       7.828 -10.291  -6.411          0.000
-ATOM     23  CB  ALA    12       7.478  -9.844  -5.930          0.001
-ATOM     24  CA  ALA    13      10.036  -7.414  -7.548          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.789  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.104  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.779  -0.376  -7.162          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.089          0.000
-ATOM     31  CB  ALA    16      10.915   2.173  -3.467          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.305          0.000
-ATOM     33  CB  ALA    17      10.480   6.164  -5.976          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.76                                       ENERGY     5.65341E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.717   0.951          0.000
-ATOM      4  CA  ALA     3       6.749  -2.148  -0.187          0.005
-ATOM      5  CB  ALA     3       6.911  -2.674  -0.694          0.006
-ATOM      6  CA  ALA     4      10.427  -1.188  -0.070          0.015
-ATOM      7  CB  ALA     4      10.541  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.615  -4.252  -0.853          0.034
-ATOM      9  CB  CYS     5      12.286  -4.666  -1.959          0.002
-ATOM     10  CA  ALA     6      16.227  -5.458  -1.342          0.135
-ATOM     11  CB  ALA     6      16.900  -5.349  -1.331          0.031
-ATOM     12  CA  ALA     7      14.833  -7.698   1.265          0.079
-ATOM     13  CB  ALA     7      14.886  -7.623  -4.231          0.778
-ATOM     14  CA  ALA     8      14.298 -10.443  -1.169          0.037
-ATOM     15  CB  ALA     8      14.582 -10.711  -1.696          0.042
-ATOM     16  CA  ALA     9      13.790 -14.011  -2.193          0.014
-ATOM     17  CB  ALA     9      14.190 -14.457  -1.784          0.012
-ATOM     18  CA  ALA    10      10.055 -13.331  -2.545          0.003
-ATOM     19  CB  ALA    10      10.001 -12.624  -2.377          0.000
-ATOM     20  CA  ALA    11       8.609 -13.987  -5.997          0.001
-ATOM     21  CB  ALA    11       8.263 -14.589  -6.232          0.002
-ATOM     22  CA  ALA    12       7.828 -10.291  -6.412          0.000
-ATOM     23  CB  ALA    12       7.478  -9.844  -5.930          0.001
-ATOM     24  CA  ALA    13      10.036  -7.414  -7.548          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.789  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.104  -4.512          0.000
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.779  -0.376  -7.162          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.089          0.000
-ATOM     31  CB  ALA    16      10.915   2.173  -3.467          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.305          0.000
-ATOM     33  CB  ALA    17      10.480   6.164  -5.976          0.000
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.76                                       ENERGY     5.63608E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.606  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.716   0.951          0.000
-ATOM      4  CA  ALA     3       6.749  -2.148  -0.187          0.006
-ATOM      5  CB  ALA     3       6.910  -2.674  -0.694          0.006
-ATOM      6  CA  ALA     4      10.428  -1.189  -0.070          0.017
-ATOM      7  CB  ALA     4      10.541  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.616  -4.252  -0.852          0.040
-ATOM      9  CB  CYS     5      12.286  -4.666  -1.959          0.002
-ATOM     10  CA  ALA     6      16.227  -5.456  -1.343          0.104
-ATOM     11  CB  ALA     6      16.900  -5.348  -1.331          0.035
-ATOM     12  CA  ALA     7      14.832  -7.697   1.263          0.042
-ATOM     13  CB  ALA     7      14.886  -7.624  -4.226          0.559
-ATOM     14  CA  ALA     8      14.299 -10.444  -1.169          0.043
-ATOM     15  CB  ALA     8      14.583 -10.710  -1.695          0.042
-ATOM     16  CA  ALA     9      13.790 -14.013  -2.192          0.016
-ATOM     17  CB  ALA     9      14.189 -14.457  -1.784          0.013
-ATOM     18  CA  ALA    10      10.055 -13.331  -2.545          0.004
-ATOM     19  CB  ALA    10      10.001 -12.624  -2.377          0.000
-ATOM     20  CA  ALA    11       8.609 -13.987  -5.997          0.001
-ATOM     21  CB  ALA    11       8.263 -14.589  -6.232          0.002
-ATOM     22  CA  ALA    12       7.828 -10.291  -6.412          0.000
-ATOM     23  CB  ALA    12       7.478  -9.844  -5.930          0.001
-ATOM     24  CA  ALA    13      10.036  -7.414  -7.548          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.288          0.000
-ATOM     26  CA  CYS    14       9.789  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.104  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.779  -0.376  -7.162          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.089          0.000
-ATOM     31  CB  ALA    16      10.915   2.173  -3.467          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.304          0.000
-ATOM     33  CB  ALA    17      10.480   6.164  -5.975          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.77                                       ENERGY     5.62708E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.607  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.716   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.148  -0.187          0.011
-ATOM      5  CB  ALA     3       6.909  -2.674  -0.694          0.012
-ATOM      6  CA  ALA     4      10.429  -1.189  -0.071          0.033
-ATOM      7  CB  ALA     4      10.541  -0.800   0.571          0.002
-ATOM      8  CA  CYS     5      12.617  -4.253  -0.851          0.082
-ATOM      9  CB  CYS     5      12.286  -4.667  -1.959          0.003
-ATOM     10  CA  ALA     6      16.227  -5.452  -1.346          0.131
-ATOM     11  CB  ALA     6      16.901  -5.347  -1.332          0.067
-ATOM     12  CA  ALA     7      14.831  -7.697   1.263          0.018
-ATOM     13  CB  ALA     7      14.884  -7.626  -4.222          0.538
-ATOM     14  CA  ALA     8      14.299 -10.445  -1.172          0.085
-ATOM     15  CB  ALA     8      14.583 -10.708  -1.694          0.071
-ATOM     16  CA  ALA     9      13.789 -14.016  -2.191          0.032
-ATOM     17  CB  ALA     9      14.189 -14.458  -1.785          0.025
-ATOM     18  CA  ALA    10      10.056 -13.330  -2.545          0.007
-ATOM     19  CB  ALA    10      10.001 -12.624  -2.377          0.001
-ATOM     20  CA  ALA    11       8.609 -13.987  -5.997          0.001
-ATOM     21  CB  ALA    11       8.263 -14.589  -6.232          0.003
-ATOM     22  CA  ALA    12       7.828 -10.291  -6.412          0.001
-ATOM     23  CB  ALA    12       7.479  -9.844  -5.930          0.001
-ATOM     24  CA  ALA    13      10.037  -7.414  -7.548          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.287          0.000
-ATOM     26  CA  CYS    14       9.788  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.103  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.779  -0.376  -7.162          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.089          0.001
-ATOM     31  CB  ALA    16      10.915   2.173  -3.466          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.304          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.975          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.78                                       ENERGY     5.62179E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.607  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.716   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.148  -0.187          0.010
-ATOM      5  CB  ALA     3       6.909  -2.674  -0.694          0.011
-ATOM      6  CA  ALA     4      10.429  -1.190  -0.071          0.030
-ATOM      7  CB  ALA     4      10.542  -0.800   0.571          0.002
-ATOM      8  CA  CYS     5      12.617  -4.253  -0.850          0.074
-ATOM      9  CB  CYS     5      12.286  -4.667  -1.959          0.003
-ATOM     10  CA  ALA     6      16.227  -5.450  -1.347          0.133
-ATOM     11  CB  ALA     6      16.901  -5.346  -1.332          0.061
-ATOM     12  CA  ALA     7      14.831  -7.697   1.263          0.026
-ATOM     13  CB  ALA     7      14.884  -7.628  -4.220          0.612
-ATOM     14  CA  ALA     8      14.299 -10.445  -1.173          0.077
-ATOM     15  CB  ALA     8      14.583 -10.707  -1.694          0.065
-ATOM     16  CA  ALA     9      13.789 -14.017  -2.190          0.029
-ATOM     17  CB  ALA     9      14.188 -14.459  -1.785          0.023
-ATOM     18  CA  ALA    10      10.056 -13.330  -2.546          0.006
-ATOM     19  CB  ALA    10      10.001 -12.625  -2.377          0.001
-ATOM     20  CA  ALA    11       8.609 -13.987  -5.997          0.001
-ATOM     21  CB  ALA    11       8.263 -14.589  -6.233          0.003
-ATOM     22  CA  ALA    12       7.828 -10.291  -6.412          0.001
-ATOM     23  CB  ALA    12       7.479  -9.844  -5.930          0.001
-ATOM     24  CA  ALA    13      10.037  -7.414  -7.548          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.287          0.000
-ATOM     26  CA  CYS    14       9.788  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.103  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.779  -0.376  -7.161          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.089          0.001
-ATOM     31  CB  ALA    16      10.915   2.173  -3.466          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.304          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.975          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.78                                       ENERGY     5.61519E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.607  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.716   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.148  -0.187          0.009
-ATOM      5  CB  ALA     3       6.909  -2.674  -0.694          0.010
-ATOM      6  CA  ALA     4      10.429  -1.190  -0.071          0.027
-ATOM      7  CB  ALA     4      10.542  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.618  -4.253  -0.849          0.065
-ATOM      9  CB  CYS     5      12.286  -4.667  -1.959          0.002
-ATOM     10  CA  ALA     6      16.227  -5.448  -1.349          0.135
-ATOM     11  CB  ALA     6      16.901  -5.345  -1.332          0.055
-ATOM     12  CA  ALA     7      14.830  -7.697   1.263          0.035
-ATOM     13  CB  ALA     7      14.883  -7.629  -4.217          0.679
-ATOM     14  CA  ALA     8      14.300 -10.446  -1.174          0.068
-ATOM     15  CB  ALA     8      14.583 -10.707  -1.693          0.058
-ATOM     16  CA  ALA     9      13.788 -14.019  -2.189          0.026
-ATOM     17  CB  ALA     9      14.188 -14.459  -1.785          0.021
-ATOM     18  CA  ALA    10      10.056 -13.329  -2.546          0.006
-ATOM     19  CB  ALA    10      10.001 -12.625  -2.377          0.001
-ATOM     20  CA  ALA    11       8.609 -13.987  -5.997          0.001
-ATOM     21  CB  ALA    11       8.263 -14.589  -6.233          0.003
-ATOM     22  CA  ALA    12       7.828 -10.291  -6.412          0.001
-ATOM     23  CB  ALA    12       7.479  -9.844  -5.930          0.001
-ATOM     24  CA  ALA    13      10.037  -7.414  -7.548          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.287          0.000
-ATOM     26  CA  CYS    14       9.788  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.103  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.779  -0.376  -7.161          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.089          0.001
-ATOM     31  CB  ALA    16      10.915   2.173  -3.466          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.304          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.975          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.78                                       ENERGY     5.60739E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.188  -0.607  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.716   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.148  -0.188          0.008
-ATOM      5  CB  ALA     3       6.908  -2.674  -0.694          0.009
-ATOM      6  CA  ALA     4      10.430  -1.191  -0.072          0.024
-ATOM      7  CB  ALA     4      10.542  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.618  -4.253  -0.849          0.057
-ATOM      9  CB  CYS     5      12.286  -4.667  -1.960          0.002
-ATOM     10  CA  ALA     6      16.227  -5.447  -1.350          0.136
-ATOM     11  CB  ALA     6      16.901  -5.344  -1.332          0.049
-ATOM     12  CA  ALA     7      14.830  -7.696   1.263          0.044
-ATOM     13  CB  ALA     7      14.882  -7.630  -4.214          0.734
-ATOM     14  CA  ALA     8      14.300 -10.446  -1.175          0.059
-ATOM     15  CB  ALA     8      14.584 -10.706  -1.693          0.051
-ATOM     16  CA  ALA     9      13.788 -14.020  -2.189          0.023
-ATOM     17  CB  ALA     9      14.188 -14.459  -1.785          0.019
-ATOM     18  CA  ALA    10      10.056 -13.329  -2.546          0.005
-ATOM     19  CB  ALA    10      10.001 -12.625  -2.377          0.000
-ATOM     20  CA  ALA    11       8.609 -13.987  -5.997          0.001
-ATOM     21  CB  ALA    11       8.263 -14.589  -6.233          0.003
-ATOM     22  CA  ALA    12       7.828 -10.291  -6.413          0.001
-ATOM     23  CB  ALA    12       7.479  -9.844  -5.930          0.001
-ATOM     24  CA  ALA    13      10.037  -7.414  -7.548          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.287          0.000
-ATOM     26  CA  CYS    14       9.788  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.103  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.779  -0.376  -7.161          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.089          0.001
-ATOM     31  CB  ALA    16      10.915   2.173  -3.466          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.304          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.975          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.79                                       ENERGY     5.59855E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.607  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.716   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.148  -0.188          0.007
-ATOM      5  CB  ALA     3       6.908  -2.674  -0.695          0.008
-ATOM      6  CA  ALA     4      10.430  -1.191  -0.072          0.020
-ATOM      7  CB  ALA     4      10.542  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.619  -4.253  -0.848          0.048
-ATOM      9  CB  CYS     5      12.286  -4.667  -1.960          0.002
-ATOM     10  CA  ALA     6      16.227  -5.445  -1.351          0.136
-ATOM     11  CB  ALA     6      16.901  -5.343  -1.332          0.042
-ATOM     12  CA  ALA     7      14.829  -7.696   1.262          0.053
-ATOM     13  CB  ALA     7      14.882  -7.631  -4.212          0.777
-ATOM     14  CA  ALA     8      14.300 -10.446  -1.176          0.051
-ATOM     15  CB  ALA     8      14.584 -10.705  -1.693          0.044
-ATOM     16  CA  ALA     9      13.787 -14.021  -2.188          0.020
-ATOM     17  CB  ALA     9      14.188 -14.460  -1.785          0.016
-ATOM     18  CA  ALA    10      10.057 -13.329  -2.546          0.004
-ATOM     19  CB  ALA    10      10.001 -12.625  -2.377          0.000
-ATOM     20  CA  ALA    11       8.609 -13.987  -5.997          0.001
-ATOM     21  CB  ALA    11       8.262 -14.589  -6.233          0.002
-ATOM     22  CA  ALA    12       7.829 -10.291  -6.413          0.001
-ATOM     23  CB  ALA    12       7.479  -9.844  -5.930          0.001
-ATOM     24  CA  ALA    13      10.037  -7.414  -7.547          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.287          0.000
-ATOM     26  CA  CYS    14       9.788  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.103  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.779  -0.376  -7.161          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.089          0.000
-ATOM     31  CB  ALA    16      10.915   2.173  -3.466          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.304          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.975          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.79                                       ENERGY     5.58883E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.607  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.716   0.951          0.000
-ATOM      4  CA  ALA     3       6.749  -2.147  -0.188          0.006
-ATOM      5  CB  ALA     3       6.908  -2.674  -0.695          0.006
-ATOM      6  CA  ALA     4      10.430  -1.192  -0.072          0.017
-ATOM      7  CB  ALA     4      10.542  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.619  -4.253  -0.848          0.041
-ATOM      9  CB  CYS     5      12.286  -4.667  -1.960          0.002
-ATOM     10  CA  ALA     6      16.226  -5.443  -1.352          0.136
-ATOM     11  CB  ALA     6      16.901  -5.343  -1.332          0.036
-ATOM     12  CA  ALA     7      14.829  -7.696   1.261          0.061
-ATOM     13  CB  ALA     7      14.881  -7.632  -4.209          0.807
-ATOM     14  CA  ALA     8      14.300 -10.447  -1.176          0.043
-ATOM     15  CB  ALA     8      14.584 -10.705  -1.692          0.037
-ATOM     16  CA  ALA     9      13.787 -14.023  -2.188          0.017
-ATOM     17  CB  ALA     9      14.187 -14.460  -1.785          0.014
-ATOM     18  CA  ALA    10      10.057 -13.329  -2.546          0.004
-ATOM     19  CB  ALA    10      10.001 -12.625  -2.377          0.000
-ATOM     20  CA  ALA    11       8.609 -13.986  -5.997          0.001
-ATOM     21  CB  ALA    11       8.262 -14.589  -6.233          0.002
-ATOM     22  CA  ALA    12       7.829 -10.291  -6.413          0.000
-ATOM     23  CB  ALA    12       7.479  -9.844  -5.930          0.001
-ATOM     24  CA  ALA    13      10.037  -7.414  -7.547          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.287          0.000
-ATOM     26  CA  CYS    14       9.788  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.103  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.780  -0.376  -7.161          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.089          0.000
-ATOM     31  CB  ALA    16      10.914   2.173  -3.466          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.304          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.975          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.79                                       ENERGY     5.57839E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.607  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.716   0.951          0.000
-ATOM      4  CA  ALA     3       6.749  -2.147  -0.188          0.005
-ATOM      5  CB  ALA     3       6.907  -2.674  -0.695          0.005
-ATOM      6  CA  ALA     4      10.431  -1.192  -0.072          0.015
-ATOM      7  CB  ALA     4      10.542  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.620  -4.254  -0.847          0.034
-ATOM      9  CB  CYS     5      12.286  -4.667  -1.960          0.001
-ATOM     10  CA  ALA     6      16.226  -5.442  -1.353          0.135
-ATOM     11  CB  ALA     6      16.901  -5.342  -1.332          0.031
-ATOM     12  CA  ALA     7      14.829  -7.696   1.260          0.068
-ATOM     13  CB  ALA     7      14.881  -7.633  -4.205          0.827
-ATOM     14  CA  ALA     8      14.300 -10.447  -1.177          0.036
-ATOM     15  CB  ALA     8      14.584 -10.704  -1.692          0.032
-ATOM     16  CA  ALA     9      13.787 -14.024  -2.187          0.014
-ATOM     17  CB  ALA     9      14.187 -14.461  -1.785          0.012
-ATOM     18  CA  ALA    10      10.057 -13.328  -2.546          0.003
-ATOM     19  CB  ALA    10      10.001 -12.625  -2.377          0.000
-ATOM     20  CA  ALA    11       8.609 -13.986  -5.997          0.001
-ATOM     21  CB  ALA    11       8.262 -14.589  -6.233          0.002
-ATOM     22  CA  ALA    12       7.829 -10.291  -6.413          0.000
-ATOM     23  CB  ALA    12       7.479  -9.844  -5.930          0.001
-ATOM     24  CA  ALA    13      10.037  -7.414  -7.547          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.287          0.000
-ATOM     26  CA  CYS    14       9.788  -4.103  -5.694          0.000
-ATOM     27  CB  CYS    14      10.168  -4.103  -4.512          0.000
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.780  -0.376  -7.161          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.089          0.000
-ATOM     31  CB  ALA    16      10.914   2.174  -3.466          0.001
-ATOM     32  CA  ALA    17      10.238   5.959  -5.304          0.000
-ATOM     33  CB  ALA    17      10.480   6.164  -5.975          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.80                                       ENERGY     5.55965E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.607  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.716   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.147  -0.188          0.012
-ATOM      5  CB  ALA     3       6.907  -2.674  -0.695          0.012
-ATOM      6  CA  ALA     4      10.432  -1.193  -0.073          0.034
-ATOM      7  CB  ALA     4      10.542  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.621  -4.254  -0.846          0.088
-ATOM      9  CB  CYS     5      12.286  -4.668  -1.960          0.002
-ATOM     10  CA  ALA     6      16.226  -5.438  -1.355          0.132
-ATOM     11  CB  ALA     6      16.902  -5.340  -1.332          0.071
-ATOM     12  CA  ALA     7      14.828  -7.695   1.258          0.006
-ATOM     13  CB  ALA     7      14.879  -7.636  -4.199          0.528
-ATOM     14  CA  ALA     8      14.301 -10.448  -1.179          0.087
-ATOM     15  CB  ALA     8      14.585 -10.702  -1.691          0.058
-ATOM     16  CA  ALA     9      13.786 -14.027  -2.186          0.034
-ATOM     17  CB  ALA     9      14.187 -14.462  -1.785          0.027
-ATOM     18  CA  ALA    10      10.058 -13.328  -2.547          0.007
-ATOM     19  CB  ALA    10      10.001 -12.625  -2.377          0.001
-ATOM     20  CA  ALA    11       8.609 -13.986  -5.997          0.001
-ATOM     21  CB  ALA    11       8.262 -14.589  -6.234          0.004
-ATOM     22  CA  ALA    12       7.829 -10.291  -6.413          0.001
-ATOM     23  CB  ALA    12       7.479  -9.845  -5.930          0.001
-ATOM     24  CA  ALA    13      10.037  -7.413  -7.547          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.287          0.000
-ATOM     26  CA  CYS    14       9.788  -4.103  -5.693          0.000
-ATOM     27  CB  CYS    14      10.168  -4.103  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.780  -0.375  -7.161          0.002
-ATOM     30  CA  ALA    16      10.563   2.372  -4.089          0.001
-ATOM     31  CB  ALA    16      10.914   2.174  -3.466          0.002
-ATOM     32  CA  ALA    17      10.239   5.959  -5.303          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.974          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.81                                       ENERGY     5.55576E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.607  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.716   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.147  -0.188          0.011
-ATOM      5  CB  ALA     3       6.906  -2.673  -0.695          0.011
-ATOM      6  CA  ALA     4      10.432  -1.194  -0.073          0.032
-ATOM      7  CB  ALA     4      10.543  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.622  -4.254  -0.845          0.082
-ATOM      9  CB  CYS     5      12.286  -4.668  -1.960          0.002
-ATOM     10  CA  ALA     6      16.226  -5.436  -1.357          0.135
-ATOM     11  CB  ALA     6      16.902  -5.339  -1.332          0.067
-ATOM     12  CA  ALA     7      14.827  -7.694   1.259          0.011
-ATOM     13  CB  ALA     7      14.878  -7.637  -4.197          0.602
-ATOM     14  CA  ALA     8      14.301 -10.449  -1.180          0.081
-ATOM     15  CB  ALA     8      14.585 -10.702  -1.691          0.054
-ATOM     16  CA  ALA     9      13.785 -14.028  -2.185          0.032
-ATOM     17  CB  ALA     9      14.186 -14.462  -1.786          0.025
-ATOM     18  CA  ALA    10      10.058 -13.327  -2.547          0.006
-ATOM     19  CB  ALA    10      10.001 -12.625  -2.377          0.001
-ATOM     20  CA  ALA    11       8.609 -13.986  -5.997          0.001
-ATOM     21  CB  ALA    11       8.262 -14.589  -6.234          0.004
-ATOM     22  CA  ALA    12       7.829 -10.291  -6.414          0.001
-ATOM     23  CB  ALA    12       7.479  -9.845  -5.930          0.001
-ATOM     24  CA  ALA    13      10.037  -7.413  -7.547          0.000
-ATOM     25  CB  ALA    13      10.096  -7.393  -8.287          0.000
-ATOM     26  CA  CYS    14       9.787  -4.103  -5.693          0.000
-ATOM     27  CB  CYS    14      10.168  -4.103  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.780  -0.375  -7.161          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.089          0.001
-ATOM     31  CB  ALA    16      10.914   2.174  -3.466          0.001
-ATOM     32  CA  ALA    17      10.239   5.959  -5.303          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.974          0.001
-ATOM     34  CA  GLY    18       6.822   7.426  -4.509          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.81                                       ENERGY     5.55054E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.607  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.716   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.147  -0.188          0.010
-ATOM      5  CB  ALA     3       6.906  -2.673  -0.695          0.010
-ATOM      6  CA  ALA     4      10.433  -1.194  -0.074          0.029
-ATOM      7  CB  ALA     4      10.543  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.622  -4.254  -0.845          0.074
-ATOM      9  CB  CYS     5      12.286  -4.668  -1.960          0.002
-ATOM     10  CA  ALA     6      16.226  -5.434  -1.358          0.137
-ATOM     11  CB  ALA     6      16.902  -5.338  -1.332          0.062
-ATOM     12  CA  ALA     7      14.827  -7.694   1.259          0.018
-ATOM     13  CB  ALA     7      14.878  -7.639  -4.194          0.674
-ATOM     14  CA  ALA     8      14.301 -10.449  -1.182          0.073
-ATOM     15  CB  ALA     8      14.586 -10.701  -1.691          0.050
-ATOM     16  CA  ALA     9      13.785 -14.030  -2.185          0.029
-ATOM     17  CB  ALA     9      14.186 -14.463  -1.786          0.024
-ATOM     18  CA  ALA    10      10.059 -13.327  -2.547          0.006
-ATOM     19  CB  ALA    10      10.001 -12.625  -2.377          0.000
-ATOM     20  CA  ALA    11       8.609 -13.986  -5.997          0.001
-ATOM     21  CB  ALA    11       8.262 -14.589  -6.234          0.003
-ATOM     22  CA  ALA    12       7.829 -10.291  -6.414          0.001
-ATOM     23  CB  ALA    12       7.479  -9.845  -5.930          0.001
-ATOM     24  CA  ALA    13      10.037  -7.413  -7.547          0.000
-ATOM     25  CB  ALA    13      10.096  -7.392  -8.287          0.000
-ATOM     26  CA  CYS    14       9.787  -4.103  -5.693          0.000
-ATOM     27  CB  CYS    14      10.168  -4.103  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.567  -6.465          0.000
-ATOM     29  CB  ALA    15      10.780  -0.375  -7.161          0.001
-ATOM     30  CA  ALA    16      10.563   2.372  -4.089          0.001
-ATOM     31  CB  ALA    16      10.914   2.174  -3.465          0.001
-ATOM     32  CA  ALA    17      10.239   5.959  -5.303          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.974          0.001
-ATOM     34  CA  GLY    18       6.823   7.426  -4.508          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.81                                       ENERGY     5.54403E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.607  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.951   0.716   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.147  -0.189          0.009
-ATOM      5  CB  ALA     3       6.906  -2.673  -0.695          0.009
-ATOM      6  CA  ALA     4      10.433  -1.195  -0.074          0.026
-ATOM      7  CB  ALA     4      10.543  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.623  -4.254  -0.844          0.065
-ATOM      9  CB  CYS     5      12.286  -4.668  -1.960          0.002
-ATOM     10  CA  ALA     6      16.226  -5.432  -1.360          0.138
-ATOM     11  CB  ALA     6      16.902  -5.337  -1.332          0.056
-ATOM     12  CA  ALA     7      14.827  -7.694   1.259          0.027
-ATOM     13  CB  ALA     7      14.877  -7.640  -4.191          0.736
-ATOM     14  CA  ALA     8      14.301 -10.450  -1.183          0.065
-ATOM     15  CB  ALA     8      14.586 -10.700  -1.691          0.045
-ATOM     16  CA  ALA     9      13.784 -14.031  -2.184          0.026
-ATOM     17  CB  ALA     9      14.186 -14.463  -1.786          0.021
-ATOM     18  CA  ALA    10      10.059 -13.327  -2.547          0.005
-ATOM     19  CB  ALA    10      10.001 -12.625  -2.377          0.000
-ATOM     20  CA  ALA    11       8.609 -13.986  -5.998          0.001
-ATOM     21  CB  ALA    11       8.262 -14.589  -6.234          0.003
-ATOM     22  CA  ALA    12       7.829 -10.291  -6.414          0.001
-ATOM     23  CB  ALA    12       7.480  -9.845  -5.930          0.001
-ATOM     24  CA  ALA    13      10.038  -7.413  -7.547          0.000
-ATOM     25  CB  ALA    13      10.096  -7.392  -8.287          0.000
-ATOM     26  CA  CYS    14       9.787  -4.103  -5.693          0.000
-ATOM     27  CB  CYS    14      10.168  -4.102  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.568  -6.465          0.000
-ATOM     29  CB  ALA    15      10.780  -0.375  -7.161          0.001
-ATOM     30  CA  ALA    16      10.563   2.371  -4.089          0.001
-ATOM     31  CB  ALA    16      10.914   2.174  -3.465          0.001
-ATOM     32  CA  ALA    17      10.239   5.959  -5.303          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.974          0.001
-ATOM     34  CA  GLY    18       6.823   7.426  -4.508          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.82                                       ENERGY     5.53635E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.607  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.952   0.715   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.147  -0.189          0.008
-ATOM      5  CB  ALA     3       6.905  -2.673  -0.695          0.008
-ATOM      6  CA  ALA     4      10.433  -1.195  -0.074          0.023
-ATOM      7  CB  ALA     4      10.543  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.623  -4.254  -0.843          0.056
-ATOM      9  CB  CYS     5      12.286  -4.668  -1.961          0.002
-ATOM     10  CA  ALA     6      16.225  -5.430  -1.361          0.138
-ATOM     11  CB  ALA     6      16.902  -5.336  -1.332          0.050
-ATOM     12  CA  ALA     7      14.826  -7.693   1.259          0.035
-ATOM     13  CB  ALA     7      14.876  -7.641  -4.189          0.787
-ATOM     14  CA  ALA     8      14.302 -10.450  -1.183          0.056
-ATOM     15  CB  ALA     8      14.586 -10.700  -1.690          0.039
-ATOM     16  CA  ALA     9      13.784 -14.032  -2.184          0.023
-ATOM     17  CB  ALA     9      14.186 -14.464  -1.786          0.019
-ATOM     18  CA  ALA    10      10.059 -13.327  -2.547          0.004
-ATOM     19  CB  ALA    10      10.001 -12.625  -2.377          0.000
-ATOM     20  CA  ALA    11       8.609 -13.986  -5.998          0.001
-ATOM     21  CB  ALA    11       8.262 -14.589  -6.234          0.003
-ATOM     22  CA  ALA    12       7.829 -10.291  -6.414          0.001
-ATOM     23  CB  ALA    12       7.480  -9.845  -5.930          0.001
-ATOM     24  CA  ALA    13      10.038  -7.413  -7.547          0.000
-ATOM     25  CB  ALA    13      10.096  -7.392  -8.287          0.000
-ATOM     26  CA  CYS    14       9.787  -4.103  -5.693          0.000
-ATOM     27  CB  CYS    14      10.167  -4.102  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.568  -6.465          0.000
-ATOM     29  CB  ALA    15      10.780  -0.375  -7.161          0.001
-ATOM     30  CA  ALA    16      10.563   2.371  -4.089          0.001
-ATOM     31  CB  ALA    16      10.914   2.174  -3.465          0.001
-ATOM     32  CA  ALA    17      10.239   5.959  -5.303          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.974          0.001
-ATOM     34  CA  GLY    18       6.823   7.426  -4.508          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.82                                       ENERGY     5.52765E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.607  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.250   0.381          0.000
-ATOM      3  CB  ALA     2       3.952   0.715   0.951          0.001
-ATOM      4  CA  ALA     3       6.749  -2.147  -0.189          0.007
-ATOM      5  CB  ALA     3       6.905  -2.673  -0.695          0.007
-ATOM      6  CA  ALA     4      10.434  -1.196  -0.074          0.020
-ATOM      7  CB  ALA     4      10.543  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.624  -4.254  -0.843          0.048
-ATOM      9  CB  CYS     5      12.286  -4.668  -1.961          0.001
-ATOM     10  CA  ALA     6      16.225  -5.429  -1.362          0.137
-ATOM     11  CB  ALA     6      16.903  -5.336  -1.332          0.044
-ATOM     12  CA  ALA     7      14.826  -7.693   1.258          0.044
-ATOM     13  CB  ALA     7      14.876  -7.642  -4.186          0.825
-ATOM     14  CA  ALA     8      14.302 -10.450  -1.184          0.048
-ATOM     15  CB  ALA     8      14.586 -10.699  -1.690          0.034
-ATOM     16  CA  ALA     9      13.784 -14.034  -2.183          0.020
-ATOM     17  CB  ALA     9      14.185 -14.464  -1.786          0.017
-ATOM     18  CA  ALA    10      10.059 -13.326  -2.548          0.004
-ATOM     19  CB  ALA    10      10.001 -12.625  -2.377          0.000
-ATOM     20  CA  ALA    11       8.609 -13.985  -5.998          0.001
-ATOM     21  CB  ALA    11       8.261 -14.589  -6.235          0.002
-ATOM     22  CA  ALA    12       7.829 -10.291  -6.414          0.001
-ATOM     23  CB  ALA    12       7.480  -9.845  -5.930          0.001
-ATOM     24  CA  ALA    13      10.038  -7.413  -7.547          0.000
-ATOM     25  CB  ALA    13      10.096  -7.392  -8.287          0.000
-ATOM     26  CA  CYS    14       9.787  -4.103  -5.693          0.000
-ATOM     27  CB  CYS    14      10.167  -4.102  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.568  -6.465          0.000
-ATOM     29  CB  ALA    15      10.780  -0.375  -7.161          0.001
-ATOM     30  CA  ALA    16      10.563   2.371  -4.089          0.000
-ATOM     31  CB  ALA    16      10.914   2.174  -3.465          0.001
-ATOM     32  CA  ALA    17      10.239   5.959  -5.303          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.974          0.001
-ATOM     34  CA  GLY    18       6.823   7.426  -4.508          0.000
-TER
-CONECT    1    2
-CONECT    2    4    3
-CONECT    4    6    5
-CONECT    6    8    7
-CONECT    8   10    9
-CONECT   10   12   11
-CONECT   12   14   13
-CONECT   14   16   15
-CONECT   16   18   17
-CONECT   18   20   19
-CONECT   20   22   21
-CONECT   22   24   23
-CONECT   24   26   25
-CONECT   26   28   27
-CONECT   28   30   29
-CONECT   30   32   31
-CONECT   32   34   33
-CONECT    1    1
-ENDMDL
-REMARK time   11.82                                       ENERGY     5.51809E+03
-SSBOND   1 CYS    -14    CYS     -5
-ATOM      1  CA  GLY     1       0.187  -0.607  -0.071          0.000
-ATOM      2  CA  ALA     2       3.857   0.249   0.381          0.000
-ATOM      3  CB  ALA     2       3.952   0.715   0.951          0.000
-ATOM      4  CA  ALA     3       6.749  -2.147  -0.189          0.006
-ATOM      5  CB  ALA     3       6.905  -2.673  -0.695          0.006
-ATOM      6  CA  ALA     4      10.434  -1.196  -0.075          0.017
-ATOM      7  CB  ALA     4      10.543  -0.800   0.571          0.001
-ATOM      8  CA  CYS     5      12.624  -4.255  -0.842          0.041
-ATOM      9  CB  CYS     5      12.286  -4.668  -1.961          0.001
-ATOM     10  CA  ALA     6      16.225  -5.427  -1.363          0.136
-ATOM     11  CB  ALA     6      16.903  -5.335  -1.332          0.038
-ATOM     12  CA  ALA     7      14.826  -7.693   1.257          0.052
-ATOM     13  CB  ALA     7      14.875  -7.644  -4.183          0.851
-ATOM     14  CA  ALA     8      14.302 -10.451  -1.185          0.041
-ATOM     15  CB  ALA     8      14.587 -10.698  -1.690          0.029
-ATOM     16  CA  ALA     9      13.783 -14.035  -2.183          0.017
-ATOM     17  CB  ALA     9      14.185 -14.464  -1.786          0.015
-ATOM     18  CA  ALA    10      10.060 -13.326  -2.548          0.003
-ATOM     19  CB  ALA    10      10.001 -12.625  -2.377          0.000
-ATOM     20  CA  ALA    11       8.609 -13.985  -5.998          0.001
-ATOM     21  CB  ALA    11       8.261 -14.589  -6.235          0.002
-ATOM     22  CA  ALA    12       7.829 -10.291  -6.414          0.000
-ATOM     23  CB  ALA    12       7.480  -9.845  -5.930          0.001
-ATOM     24  CA  ALA    13      10.038  -7.413  -7.547          0.000
-ATOM     25  CB  ALA    13      10.096  -7.392  -8.287          0.000
-ATOM     26  CA  CYS    14       9.787  -4.103  -5.693          0.000
-ATOM     27  CB  CYS    14      10.167  -4.102  -4.512          0.001
-ATOM     28  CA  ALA    15      10.949  -0.568  -6.465          0.000
-ATOM     29  CB  ALA    15      10.780  -0.375  -7.161          0.001
-ATOM     30  CA  ALA    16      10.563   2.371  -4.089          0.000
-ATOM     31  CB  ALA    16      10.914   2.174  -3.465          0.001
-ATOM     32  CA  ALA    17      10.239   5.959  -5.303          0.001
-ATOM     33  CB  ALA    17      10.480   6.164  -5.974          0.001
-ATOM     34  CA  GLY    18       6.823   7.427  -4.508          0.000
+REMARK time   30.00                                       ENERGY    -1.67812E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       1.415   0.794   1.566          0.026
+ATOM      2  CA  ALA     2       5.135   1.335   1.463          0.039
+ATOM      3  CB  ALA     2       5.438   1.287   2.112          0.034
+ATOM      4  CA  ALA     3       7.458  -1.129  -0.192          0.012
+ATOM      5  CB  ALA     3       7.057  -1.512  -0.674          0.027
+ATOM      6  CA  ALA     4      11.209  -0.668  -0.548          0.045
+ATOM      7  CB  ALA     4      11.699  -0.421  -0.085          0.347
+ATOM      8  CA  CYS     5      11.664  -4.429  -0.527          0.013
+ATOM      9  CB  CYS     5      10.860  -4.993  -1.266          0.008
+ATOM     10  CA  ALA     6      14.549  -6.440  -1.938          0.006
+ATOM     11  CB  ALA     6      15.309  -6.171  -1.979          0.008
+ATOM     12  CA  ALA     7      14.187  -8.651   1.118          0.023
+ATOM     13  CB  ALA     7      13.988  -8.683   1.786          0.043
+ATOM     14  CA  ALA     8      11.420 -10.580  -0.593          0.004
+ATOM     15  CB  ALA     8      10.960  -9.989  -0.521          0.069
+ATOM     16  CA  ALA     9      13.472 -11.004  -3.793          0.044
+ATOM     17  CB  ALA     9      13.710 -10.396  -3.407          0.032
+ATOM     18  CA  ALA    10      12.081 -14.258  -5.061          0.002
+ATOM     19  CB  ALA    10      11.639 -14.881  -5.127          0.042
+ATOM     20  CA  ALA    11       9.817 -12.653  -7.513          0.005
+ATOM     21  CB  ALA    11       9.114 -12.994  -7.836          0.121
+ATOM     22  CA  ALA    12       8.600  -9.896  -5.236          0.008
+ATOM     23  CB  ALA    12       8.494  -9.882  -4.523          0.066
+ATOM     24  CA  ALA    13      11.779  -7.918  -5.929          0.033
+ATOM     25  CB  ALA    13      11.945  -8.044  -6.524          0.074
+ATOM     26  CA  CYS    14       9.687  -4.717  -5.711          0.006
+ATOM     27  CB  CYS    14       9.437  -4.722  -4.519          0.005
+ATOM     28  CA  ALA    15      11.807  -1.501  -5.835          0.018
+ATOM     29  CB  ALA    15      11.985  -1.497  -6.517          0.073
+ATOM     30  CA  ALA    16      10.664   1.942  -4.839          0.002
+ATOM     31  CB  ALA    16      11.277   2.245  -4.703          0.117
+ATOM     32  CA  ALA    17       7.865   4.022  -6.397          0.032
+ATOM     33  CB  ALA    17       7.190   3.794  -6.381          0.026
+ATOM     34  CA  GLY    18       8.666   7.691  -5.854          0.000
 TER
 CONECT    1    2
 CONECT    2    4    3
diff --git a/examples/unres/new/MD/DYN_SS/no_ss/small.inp b/examples/unres/new/MD/DYN_SS/no_ss/small.inp
index 085e3ca..2091e89 100644
--- a/examples/unres/new/MD/DYN_SS/no_ss/small.inp
+++ b/examples/unres/new/MD/DYN_SS/no_ss/small.inp
@@ -1,7 +1,7 @@
 small
 SEED=-1111333 MD ONE_LETTER
 nstep=50000  dt=0.1 ntwe=1000  ntwx=300   lang=0 tbf tau_bath=1.0 t_bath=400   &
-reset_moment=1000 reset_vel=0 damax=5.0 eq_time=1000 MDPDB
+reset_moment=1000 reset_vel=0 damax=5.0 eq_time=1000 MDPDB PRINT_COMPON
 WSC=1.00000 WSCP=2.79405 WELEC=0.14581 WANG=1.95684 WSCLOC=0.17010             &
 WTOR=2.04698 WTORD=1.69624 WCORRH=1.84615 WCORR5=0.02730 WCORR6=0.00741        &
 WEL_LOC=1.21837 WTURN3=2.91386 WTURN4=0.73178 WTURN6=0.02391 WBOND=1.0         &
diff --git a/examples/unres/new/MD/DYN_SS/no_ss/small.out_GB000 b/examples/unres/new/MD/DYN_SS/no_ss/small.out_GB000
index 31f12ea..47c7274 100644
--- a/examples/unres/new/MD/DYN_SS/no_ss/small.out_GB000
+++ b/examples/unres/new/MD/DYN_SS/no_ss/small.out_GB000
@@ -389,12 +389,12 @@ Momenta zeroed out, time             4199.64
 ===================================  Timing  ===================================
 
                   MD calculations setup:    7.81250E-03
-           Energy & gradient evaluation:    2.01211E+01
+           Energy & gradient evaluation:    2.00859E+01
                     Stochastic MD setup:    0.00000E+00
                Stochastic MD step setup:    0.00000E+00
-                               MD steps:    2.12852E+01
+                               MD steps:    2.13477E+01
 
 
 ============================  End of MD calculation  ===========================
 CG processor   0 is finishing work.
- Total wall clock time   21.3164062500000       sec
+ Total wall clock time   21.3789062500000       sec
diff --git a/examples/unres/new/MD/DYN_SS/no_ss/small_GB000.stat b/examples/unres/new/MD/DYN_SS/no_ss/small_GB000.stat
index c7f70f7..9f9f2d0 100644
--- a/examples/unres/new/MD/DYN_SS/no_ss/small_GB000.stat
+++ b/examples/unres/new/MD/DYN_SS/no_ss/small_GB000.stat
@@ -1,51 +1,52 @@
-         0           0.00      38.815      87.491     126.306       4.304     383.220     400.000      14.005    0 
-      1000          89.82      42.551       6.217      48.768       1.189     420.104     400.000      13.148    0 
-      2000         184.90      34.330      17.757      52.087       1.309     338.941     400.000      12.075    0 
-      3000         255.72      42.206       1.452      43.658       2.316     416.702     400.000      12.199    0 
-      4000         334.70      43.135       6.659      49.793       1.054     425.869     400.000      12.347    0 
-      5000         415.10      40.108      18.668      58.776       1.276     395.992     400.000      13.061    0 
-      6000         499.06      39.751      10.709      50.460       1.546     392.466     400.000      14.068    0 
-      7000         586.14      40.597      -4.020      36.577       0.002     400.815     400.000      14.663    0 
-      8000         675.98      35.317      14.924      50.242       1.468     348.689     400.000      15.539    0 
-      9000         766.29      42.488      -5.131      37.357       1.736     419.488     400.000      15.709    0 
-     10000         847.02      40.429      -9.285      31.144       0.054     399.161     400.000      16.708    0 
-     11000         934.77      42.354      -0.803      41.551       2.873     418.162     400.000      16.202    0 
-     12000        1018.20      40.502       7.085      47.587       0.000     399.880     400.000      16.100    0 
-     13000        1112.82      41.925       8.478      50.403       2.313     413.927     400.000      16.139    0 
-     14000        1197.59      42.572      -2.836      39.737       1.291     420.320     400.000      15.892    0 
-     15000        1281.98      40.071       4.259      44.331       1.383     395.626     400.000      16.630    0 
-     16000        1363.69      40.520       1.681      42.201       0.028     400.056     400.000      16.285    0 
-     17000        1440.40      42.775       6.831      49.606       2.445     422.318     400.000      16.466    0 
-     18000        1524.49      40.508       2.215      42.723       0.000     399.936     400.000      17.076    0 
-     19000        1613.61      40.853      -0.222      40.631       1.257     403.347     400.000      17.379    0 
-     20000        1693.86      41.408       2.840      44.248       1.674     408.820     400.000      16.820    0 
-     21000        1784.40      43.920      -0.544      43.376       2.564     433.628     400.000      16.642    0 
-     22000        1866.61      40.554     -11.719      28.834       0.000     400.387     400.000      17.148    0 
-     23000        1957.39      41.160       0.488      41.648       0.766     406.375     400.000      16.691    0 
-     24000        2045.28      43.516      -6.873      36.643       1.311     429.637     400.000      17.344    0 
-     25000        2132.61      36.696       2.315      39.011       2.026     362.298     400.000      16.591    0 
-     26000        2222.84      43.756       2.629      46.385       1.471     432.001     400.000      16.404    0 
-     27000        2308.13      40.587       5.373      45.961       1.060     400.721     400.000      16.817    0 
-     28000        2386.61      42.187       3.342      45.529       1.653     416.514     400.000      16.599    0 
-     29000        2465.49      47.626      -2.165      45.461       2.552     470.217     400.000      16.380    0 
-     30000        2545.85      39.046      -4.531      34.515       1.847     385.499     400.000      16.475    0 
-     31000        2626.13      38.980      14.456      53.436       1.767     384.855     400.000      16.205    0 
-     32000        2712.24      39.709       6.629      46.337       0.817     392.044     400.000      16.189    0 
-     33000        2790.16      42.784      -0.920      41.864       1.828     422.410     400.000      16.275    0 
-     34000        2856.24      39.070      -0.692      38.378       2.890     385.744     400.000      16.298    0 
-     35000        2935.38      40.695       2.868      43.563       0.004     401.780     400.000      16.199    0 
-     36000        3026.35      43.787       2.103      45.891       0.881     432.313     400.000      15.947    0 
-     37000        3115.59      38.783      14.946      53.729       1.137     382.908     400.000      15.370    0 
-     38000        3197.86      41.654       6.282      47.936       1.610     411.249     400.000      16.138    0 
-     39000        3280.93      43.342       0.150      43.492       1.827     427.918     400.000      16.102    0 
-     40000        3361.67      40.349      -4.281      36.068       1.113     398.368     400.000      16.766    0 
-     41000        3435.60      37.425       1.624      39.049       1.034     369.501     400.000      16.689    0 
-     42000        3502.09      44.999      -0.918      44.082       2.005     444.280     400.000      16.399    0 
-     43000        3588.71      40.500       2.241      42.741       0.001     399.857     400.000      16.352    0 
-     44000        3676.00      40.827       3.046      43.873       1.709     403.088     400.000      16.632    0 
-     45000        3760.57      41.616      -3.926      37.691       1.636     410.879     400.000      16.337    0 
-     46000        3844.03      41.875      -1.097      40.778       1.841     413.429     400.000      15.230    0 
-     47000        3930.72      45.609      13.503      59.112       0.993     450.297     400.000      14.009    0 
-     48000        4021.89      37.918       7.716      45.633       0.659     374.362     400.000      14.896    0 
-     49000        4103.02      40.012      12.040      52.052       1.735     395.039     400.000      14.615    0 
-     50000        4199.74      39.552       9.140      48.691       1.236     390.496     400.000      15.394    0 
+                                                                                                                 #   EVDW SC-SC  EVDW2 SC-p  EES p-p     EBE bend    ESC SCloc   ETORS       ETORSD      ECORR4      ECORR5      ECORR6      EELLO       ETURN3      ETURN4      ETURN6      UCONST      EVDW2_14    EHPB        ESTR        EVDWPP      ESCCOR    
+         0           0.00      38.815      87.491     126.306       4.304     383.220     400.000      14.005    0      -17.840      21.188      -8.123      -1.185     152.041       0.000      -2.194      -5.324      23.179      12.152      37.595      -3.193      14.248       0.000       0.000       0.000       0.000       0.000     -25.406       7.779
+      1000          89.82      42.551       6.217      48.768       1.189     420.104     400.000      13.148    0      -26.649      12.367     -14.840     -19.340      37.622      12.161       1.092      -7.948      12.535     -15.731       2.884       7.145       1.880       0.399       0.000       0.000       0.000      12.959     -18.904     -11.023
+      2000         184.90      34.330      17.757      52.087       1.309     338.941     400.000      12.075    0      -24.987       9.020      -6.238     -17.744     108.176       8.439      -0.330      -3.666       3.561     -19.123       7.135       4.243       5.842      -0.004       0.000       0.000       0.000      19.392     -13.477     -10.362
+      3000         255.72      42.206       1.452      43.658       2.316     416.702     400.000      12.199    0      -24.606       8.192      -4.685     -18.434      51.253      11.047       1.559      -2.842       8.090      -7.982       4.423       4.871       4.286       0.000       0.000       0.000       0.000      12.952     -12.079     -13.975
+      4000         334.70      43.135       6.659      49.793       1.054     425.869     400.000      12.347    0      -23.095       6.727      -3.245     -15.199      77.906       8.502      -2.047      -2.184       4.930      -4.790      14.748       4.734       4.724       0.000       0.000       0.000       0.000       9.056     -10.104     -13.890
+      5000         415.10      40.108      18.668      58.776       1.276     395.992     400.000      13.061    0      -24.243       6.749      -3.962     -13.456      87.879      10.268      -1.481      -2.350       3.852      -0.175      10.016       4.899       5.543       0.000       0.000       0.000       0.000      12.695     -10.527      -8.739
+      6000         499.06      39.751      10.709      50.460       1.546     392.466     400.000      14.068    0      -23.720       8.064      -4.708     -18.035      75.463       8.870       2.890      -3.029      11.476      -1.286       5.789       3.950       5.882       0.000       0.000       0.000       0.000      17.010     -12.097     -11.299
+      7000         586.14      40.597      -4.020      36.577       0.002     400.815     400.000      14.663    0      -24.837       6.923      -4.101     -17.378      51.905       9.470       1.779      -2.345       7.781      -0.373       3.133       5.230       5.136       0.000       0.000       0.000       0.000      11.255     -10.812     -14.571
+      8000         675.98      35.317      14.924      50.242       1.468     348.689     400.000      15.539    0      -23.382       6.937      -3.918     -17.917      53.195       9.646       1.869      -2.325       5.896       6.575       1.809       4.898       4.998       0.000       0.000       0.000       0.000      28.005     -10.701     -11.145
+      9000         766.29      42.488      -5.131      37.357       1.736     419.488     400.000      15.709    0      -23.437       5.762      -2.952     -17.581      44.551       9.629       2.690      -1.851       2.354       6.191       1.409       5.269       3.932       0.000       0.000       0.000       0.000      14.321      -8.977     -15.876
+     10000         847.02      40.429      -9.285      31.144       0.054     399.161     400.000      16.708    0      -24.389       5.686      -2.456     -18.273      58.997       9.665       2.029      -1.602       0.901       2.019       4.182       5.218       3.900       0.000       0.000       0.000       0.000       9.611      -8.405     -17.220
+     11000         934.77      42.354      -0.803      41.551       2.873     418.162     400.000      16.202    0      -22.273       5.974      -3.098     -18.680      80.615      11.623       3.179      -1.960       1.133       5.448      -1.410       6.020       3.242       0.000       0.000       0.000       0.000      12.834      -9.346     -19.022
+     12000        1018.20      40.502       7.085      47.587       0.000     399.880     400.000      16.100    0      -23.402       6.458      -3.239     -14.787      51.965       9.488       3.947      -2.111       2.354       5.608       2.538       5.710       4.005       0.000       0.000       0.000       0.000      13.574      -9.948     -13.541
+     13000        1112.82      41.925       8.478      50.403       2.313     413.927     400.000      16.139    0      -23.284       7.076      -3.498     -18.979      86.075      11.024       2.665      -2.236       1.703       3.944       1.172       5.290       4.292       0.000       0.000       0.000       0.000      19.659     -10.479     -17.744
+     14000        1197.59      42.572      -2.836      39.737       1.291     420.320     400.000      15.892    0      -26.024       6.516      -3.557     -17.711      45.597      10.772       0.383      -2.144       3.284      -5.983       6.506       5.350       4.711       0.000       0.000       0.000       0.000      13.699      -9.920     -15.600
+     15000        1281.98      40.071       4.259      44.331       1.383     395.626     400.000      16.630    0      -24.675       6.241      -2.996     -15.336      64.930       8.643       1.729      -1.840       3.882      -1.654       5.148       4.337       4.633       0.000       0.000       0.000       0.000      13.367      -9.375     -11.285
+     16000        1363.69      40.520       1.681      42.201       0.028     400.056     400.000      16.285    0      -24.362       6.242      -3.288     -16.254      42.755      11.412       3.136      -2.011      -0.825       0.482       0.665       5.447       3.938       0.000       0.000       0.000       0.000      15.987      -9.477     -16.416
+     17000        1440.40      42.775       6.831      49.606       2.445     422.318     400.000      16.466    0      -23.246       5.705      -2.906     -18.015      93.183      10.036       0.986      -1.809       1.468       2.141       2.533       5.421       3.933       0.000       0.000       0.000       0.000      19.462      -8.878     -16.708
+     18000        1524.49      40.508       2.215      42.723       0.000     399.936     400.000      17.076    0      -22.579       5.544      -2.398     -17.100      87.850       9.443       3.084      -1.542       2.415      -0.713       2.337       4.660       4.036       0.000       0.000       0.000       0.000      17.188      -8.082     -21.184
+     19000        1613.61      40.853      -0.222      40.631       1.257     403.347     400.000      17.379    0      -23.953       5.194      -2.135     -16.146      69.866      10.426       1.748      -1.411       0.701       1.134       2.043       5.066       3.326       0.000       0.000       0.000       0.000      16.587      -7.637     -19.895
+     20000        1693.86      41.408       2.840      44.248       1.674     408.820     400.000      16.820    0      -24.273       5.657      -2.759     -17.895      76.035      10.736       2.982      -1.779       0.433       1.835      -0.060       5.722       3.408       0.000       0.000       0.000       0.000      16.867      -8.753     -15.794
+     21000        1784.40      43.920      -0.544      43.376       2.564     433.628     400.000      16.642    0      -22.233       5.974      -3.144     -17.873      77.951      10.262       2.334      -1.791       1.690       1.639       3.467       6.012       3.750       0.000       0.000       0.000       0.000       8.904      -9.180     -16.379
+     22000        1866.61      40.554     -11.719      28.834       0.000     400.387     400.000      17.148    0      -24.822       5.102      -2.257     -17.917      57.852       9.926       2.526      -1.472      -0.057       1.412       0.787       5.318       3.630       0.000       0.000       0.000       0.000      10.710      -7.568     -18.068
+     23000        1957.39      41.160       0.488      41.648       0.766     406.375     400.000      16.691    0      -23.063       6.482      -3.395     -17.676      43.490      11.921       2.857      -1.939       1.752       4.120       0.191       6.146       3.655       0.000       0.000       0.000       0.000      16.615      -9.846     -19.545
+     24000        2045.28      43.516      -6.873      36.643       1.311     429.637     400.000      17.344    0      -24.225       5.504      -2.092     -18.040      57.145      10.785       0.581      -1.391       0.755       2.357       6.555       4.984       4.063       0.000       0.000       0.000       0.000      11.908      -7.891     -19.369
+     25000        2132.61      36.696       2.315      39.011       2.026     362.298     400.000      16.591    0      -22.537       5.441      -2.459     -17.722      62.820      11.322       3.378      -1.617       1.186       1.896       0.883       5.316       3.589       0.000       0.000       0.000       0.000      15.561      -8.291     -15.941
+     26000        2222.84      43.756       2.629      46.385       1.471     432.001     400.000      16.404    0      -23.304       5.123      -2.504     -16.371      94.865       9.911       2.250      -1.515      -0.292       1.366       2.178       5.512       3.354       0.000       0.000       0.000       0.000      13.264      -7.877     -18.052
+     27000        2308.13      40.587       5.373      45.961       1.060     400.721     400.000      16.817    0      -23.967       5.460      -2.090     -16.746      81.733       8.075       0.010      -1.382       0.837       0.312       9.125       4.541       4.564       0.000       0.000       0.000       0.000      14.348      -7.782     -11.067
+     28000        2386.61      42.187       3.342      45.529       1.653     416.514     400.000      16.599    0      -24.067       6.066      -2.502     -17.723      77.082       7.635      -0.565      -1.642       2.756       2.472      10.552       4.438       4.869       0.000       0.000       0.000       0.000      13.879      -9.002     -10.682
+     29000        2465.49      47.626      -2.165      45.461       2.552     470.217     400.000      16.380    0      -22.581       5.500      -2.656     -17.920      70.392      10.045       3.763      -1.653       0.556       1.918       0.592       5.604       3.318       0.000       0.000       0.000       0.000      13.068      -8.337     -17.751
+     30000        2545.85      39.046      -4.531      34.515       1.847     385.499     400.000      16.475    0      -23.573       5.802      -2.704     -18.071      47.068      11.199       3.071      -1.696       0.699       2.007       1.441       5.634       3.674       0.000       0.000       0.000       0.000      14.674      -8.668     -19.566
+     31000        2626.13      38.980      14.456      53.436       1.767     384.855     400.000      16.205    0      -23.178       6.806      -3.311     -16.481     101.526      10.904       1.455      -2.046       4.128       5.518       2.473       5.018       4.720       0.000       0.000       0.000       0.000      19.067     -10.059     -17.418
+     32000        2712.24      39.709       6.629      46.337       0.817     392.044     400.000      16.189    0      -24.148       6.512      -3.626     -18.324      79.719       9.670       3.940      -2.052       5.658      -2.033       1.507       5.326       4.507       0.000       0.000       0.000       0.000      18.984      -9.739     -16.162
+     33000        2790.16      42.784      -0.920      41.864       1.828     422.410     400.000      16.275    0      -24.479       6.416      -3.277     -19.740      69.368       9.151       3.296      -1.986       5.784      -9.090      -0.419       5.083       4.358       0.000       0.000       0.000       0.000      16.735      -9.670     -12.147
+     34000        2856.24      39.070      -0.692      38.378       2.890     385.744     400.000      16.298    0      -23.233       6.264      -3.037     -19.123      47.474      10.116       1.760      -1.865       4.561      -5.902       3.699       5.201       4.594       0.000       0.000       0.000       0.000      17.948      -9.317     -15.706
+     35000        2935.38      40.695       2.868      43.563       0.004     401.780     400.000      16.199    0      -24.321       6.376      -3.394     -19.637      43.598      10.653       1.360      -2.026       3.710       5.604       1.505       5.392       4.220       0.000       0.000       0.000       0.000      24.309      -9.756     -14.634
+     36000        3026.35      43.787       2.103      45.891       0.881     432.313     400.000      15.947    0      -23.988       7.171      -3.800     -16.923      60.981      11.030       1.271      -2.291       2.218      -2.480       2.507       5.018       4.310       0.000       0.000       0.000       0.000      12.933     -10.636     -15.150
+     37000        3115.59      38.783      14.946      53.729       1.137     382.908     400.000      15.370    0      -25.711       7.933      -7.578     -19.566     105.723      10.846       4.184      -4.006      -2.448      -6.742      -0.380       6.461       4.325      -1.435       0.000       0.000       0.000      20.376     -12.038     -13.217
+     38000        3197.86      41.654       6.282      47.936       1.610     411.249     400.000      16.138    0      -23.683       5.796      -2.517     -15.544      58.288       7.946       0.530      -1.563       1.667       3.995       7.228       5.304       4.409       0.000       0.000       0.000       0.000      15.582      -8.411     -10.886
+     39000        3280.93      43.342       0.150      43.492       1.827     427.918     400.000      16.102    0      -24.599       6.205      -3.456     -16.790      67.785      11.353       5.019      -2.145      -0.043       4.677      -1.628       6.059       3.271       0.000       0.000       0.000       0.000      12.779      -9.881     -18.956
+     40000        3361.67      40.349      -4.281      36.068       1.113     398.368     400.000      16.766    0      -23.898       6.256      -2.665     -17.958      31.530      10.419       2.313      -1.669       1.742       1.973       4.703       5.308       4.022       0.000       0.000       0.000       0.000      13.185      -9.046     -15.448
+     41000        3435.60      37.425       1.624      39.049       1.034     369.501     400.000      16.689    0      -21.753       5.780      -2.453     -18.654      68.222       9.380       1.863      -1.596       2.094       0.502       5.485       5.055       4.049       0.000       0.000       0.000       0.000      15.673      -8.651     -15.920
+     42000        3502.09      44.999      -0.918      44.082       2.005     444.280     400.000      16.399    0      -22.847       6.055      -2.914     -18.125      75.677      10.063       2.885      -1.818       1.231       1.787       1.366       5.599       3.553       0.000       0.000       0.000       0.000      13.038      -9.136     -17.725
+     43000        3588.71      40.500       2.241      42.741       0.001     399.857     400.000      16.352    0      -22.467       6.194      -2.829     -16.737      77.173       8.983       3.769      -1.863       1.797       3.535       2.315       5.396       3.823       0.000       0.000       0.000       0.000       8.893      -9.372     -12.733
+     44000        3676.00      40.827       3.046      43.873       1.709     403.088     400.000      16.632    0      -24.048       5.726      -2.653     -16.053      78.067      10.435       2.969      -1.729       1.028       2.940       2.762       5.409       3.490       0.000       0.000       0.000       0.000      12.614      -8.710     -17.130
+     45000        3760.57      41.616      -3.926      37.691       1.636     410.879     400.000      16.337    0      -24.281       5.339      -2.311     -15.647      52.475       9.327       1.537      -1.452       0.606       1.902       6.136       5.060       3.583       0.000       0.000       0.000       0.000       8.905      -7.854     -13.916
+     46000        3844.03      41.875      -1.097      40.778       1.841     413.429     400.000      15.230    0      -24.168       6.944      -3.795     -17.045      69.387      10.429       2.301      -2.268       0.817       8.131       0.661       6.026       3.554       0.000       0.000       0.000       0.000       8.916     -10.413     -15.006
+     47000        3930.72      45.609      13.503      59.112       0.993     450.297     400.000      14.009    0      -23.766       6.376      -4.085     -13.035      70.050      13.260       0.882      -2.372       3.041       2.653       0.826       5.961       4.353       0.000       0.000       0.000       0.000      15.309     -10.367     -17.377
+     48000        4021.89      37.918       7.716      45.633       0.659     374.362     400.000      14.896    0      -21.955       5.895      -2.910     -16.498      56.562      10.428       0.475      -1.868       2.359       3.285       7.015       5.512       4.019       0.000       0.000       0.000       0.000      18.486      -9.004     -17.140
+     49000        4103.02      40.012      12.040      52.052       1.735     395.039     400.000      14.615    0      -23.165       8.076      -4.135     -16.036      79.777       7.660       0.333      -2.539       4.691       8.460       9.756       4.984       4.586       0.000       0.000       0.000       0.000      13.504     -11.823     -12.085
+     50000        4199.74      39.552       9.140      48.691       1.236     390.496     400.000      15.394    0      -24.965       6.638      -3.857     -16.810      57.149       8.478       3.205      -2.345       5.607      -1.202       5.525       4.439       4.619       0.000       0.000       0.000       0.000      21.110     -10.098     -12.034
diff --git a/examples/unres/new/MD/DYN_SS/small_MD000.pdb b/examples/unres/new/MD/DYN_SS/small_MD000.pdb
new file mode 100644
index 0000000..9449bb6
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/small_MD000.pdb
@@ -0,0 +1,10952 @@
+REMARK time  504.49                                       ENERGY    -9.99095E+00
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.396   0.059  -0.814          0.028
+ATOM      2  CA  ALA     2      -3.910   0.413   0.684          0.026
+ATOM      3  CB  ALA     2      -4.262   0.268   0.048          0.071
+ATOM      4  CA  ALA     3      -5.888  -0.576   3.769          0.023
+ATOM      5  CB  ALA     3      -5.467  -0.800   4.282          0.072
+ATOM      6  CA  ALA     4      -8.478   2.074   2.948          0.022
+ATOM      7  CB  ALA     4      -8.079   2.676   2.689          0.022
+ATOM      8  CA  CYS     5     -10.857  -0.421   1.439          0.026
+ATOM      9  CB  CYS     5     -11.085  -0.530   0.282          0.066
+ATOM     10  CA  ALA     6      -9.334  -3.155   3.638          0.031
+ATOM     11  CB  ALA     6      -9.258  -3.355   4.382          0.026
+ATOM     12  CA  ALA     7     -12.009  -5.518   2.281          0.004
+ATOM     13  CB  ALA     7     -12.650  -5.219   1.990          0.169
+ATOM     14  CA  ALA     8      -9.678  -6.477  -0.540          0.059
+ATOM     15  CB  ALA     8      -9.593  -6.478  -1.284          0.046
+ATOM     16  CA  ALA     9      -6.540  -5.749   1.475          0.015
+ATOM     17  CB  ALA     9      -6.395  -5.701   2.164          0.051
+ATOM     18  CA  ALA    10      -4.947  -8.585  -0.567          0.005
+ATOM     19  CB  ALA    10      -5.500  -8.993  -0.381          0.115
+ATOM     20  CA  ALA    11      -2.213  -6.327  -2.027          0.007
+ATOM     21  CB  ALA    11      -1.726  -6.342  -2.624          0.054
+ATOM     22  CA  ALA    12      -4.639  -4.193  -4.088          0.033
+ATOM     23  CB  ALA    12      -4.882  -4.904  -3.794          0.166
+ATOM     24  CA  ALA    13      -6.387  -0.787  -4.355          0.033
+ATOM     25  CB  ALA    13      -5.944  -0.738  -4.931          0.068
+ATOM     26  CA  CYS    14      -9.979  -1.654  -4.472          0.020
+ATOM     27  CB  CYS    14     -10.111  -1.820  -3.240          0.011
+ATOM     28  CA  ALA    15     -11.887   1.578  -4.912          0.048
+ATOM     29  CB  ALA    15     -11.517   1.895  -5.571          0.090
+ATOM     30  CA  ALA    16     -15.375   1.607  -3.304          0.012
+ATOM     31  CB  ALA    16     -15.357   0.988  -2.903          0.088
+ATOM     32  CA  ALA    17     -16.554   4.740  -5.109          0.020
+ATOM     33  CB  ALA    17     -16.245   5.011  -5.792          0.004
+ATOM     34  CA  GLY    18     -20.208   3.460  -5.049          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  509.49                                       ENERGY    -2.11880E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.864  -0.858  -0.735          0.032
+ATOM      2  CA  ALA     2      -4.242   0.635  -0.095          0.021
+ATOM      3  CB  ALA     2      -4.839   0.737  -0.375          0.117
+ATOM      4  CA  ALA     3      -5.828  -0.449   3.160          0.039
+ATOM      5  CB  ALA     3      -5.598  -0.551   3.871          0.061
+ATOM      6  CA  ALA     4      -8.502   2.206   2.673          0.001
+ATOM      7  CB  ALA     4      -8.502   2.740   2.142          0.191
+ATOM      8  CA  CYS     5     -11.088  -0.351   1.607          0.012
+ATOM      9  CB  CYS     5     -10.792  -0.585   0.392          0.101
+ATOM     10  CA  ALA     6      -9.440  -3.245   3.434          0.045
+ATOM     11  CB  ALA     6      -9.128  -2.924   4.037          0.027
+ATOM     12  CA  ALA     7     -11.858  -5.649   1.806          0.025
+ATOM     13  CB  ALA     7     -12.481  -5.313   1.903          0.112
+ATOM     14  CA  ALA     8      -9.276  -6.378  -0.833          0.010
+ATOM     15  CB  ALA     8      -9.441  -6.088  -1.486          0.016
+ATOM     16  CA  ALA     9      -6.335  -5.380   1.400          0.009
+ATOM     17  CB  ALA     9      -6.231  -5.142   2.097          0.073
+ATOM     18  CA  ALA    10      -4.600  -8.464  -0.181          0.035
+ATOM     19  CB  ALA    10      -4.667  -8.764  -0.849          0.074
+ATOM     20  CA  ALA    11      -2.316  -5.944  -1.883          0.013
+ATOM     21  CB  ALA    11      -1.697  -6.257  -1.484          0.036
+ATOM     22  CA  ALA    12      -4.794  -5.388  -4.765          0.047
+ATOM     23  CB  ALA    12      -5.333  -5.857  -4.774          0.302
+ATOM     24  CA  ALA    13      -6.219  -1.847  -4.912          0.012
+ATOM     25  CB  ALA    13      -5.911  -1.339  -5.287          0.175
+ATOM     26  CA  CYS    14      -9.918  -1.694  -3.671          0.036
+ATOM     27  CB  CYS    14      -9.376  -1.411  -2.584          0.078
+ATOM     28  CA  ALA    15     -11.904   1.555  -3.913          0.060
+ATOM     29  CB  ALA    15     -12.345   2.055  -4.212          0.000
+ATOM     30  CA  ALA    16     -15.548   1.385  -2.876          0.066
+ATOM     31  CB  ALA    16     -16.029   1.581  -2.404          0.152
+ATOM     32  CA  ALA    17     -16.641   4.437  -4.885          0.011
+ATOM     33  CB  ALA    17     -16.238   4.459  -5.500          0.062
+ATOM     34  CA  GLY    18     -20.417   4.843  -4.970          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  514.45                                       ENERGY    -1.32800E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -1.776  -1.517  -0.539          0.015
+ATOM      2  CA  ALA     2      -4.757   0.899  -0.812          0.062
+ATOM      3  CB  ALA     2      -4.875   0.579  -1.504          0.179
+ATOM      4  CA  ALA     3      -6.069  -0.069   2.537          0.024
+ATOM      5  CB  ALA     3      -5.778  -0.083   3.185          0.008
+ATOM      6  CA  ALA     4      -8.728   2.615   2.363          0.030
+ATOM      7  CB  ALA     4      -8.715   3.338   2.299          0.032
+ATOM      8  CA  CYS     5     -11.249  -0.236   1.951          0.038
+ATOM      9  CB  CYS     5     -10.476  -0.528   0.962          0.015
+ATOM     10  CA  ALA     6      -9.545  -3.156   3.612          0.019
+ATOM     11  CB  ALA     6      -9.312  -3.057   4.282          0.068
+ATOM     12  CA  ALA     7     -11.662  -5.736   1.861          0.068
+ATOM     13  CB  ALA     7     -12.092  -5.916   1.252          0.011
+ATOM     14  CA  ALA     8      -9.318  -5.837  -1.091          0.042
+ATOM     15  CB  ALA     8      -9.033  -5.353  -1.541          0.015
+ATOM     16  CA  ALA     9      -6.344  -5.061   1.067          0.002
+ATOM     17  CB  ALA     9      -6.714  -5.496   1.499          0.025
+ATOM     18  CA  ALA    10      -4.436  -8.097  -0.168          0.045
+ATOM     19  CB  ALA    10      -4.677  -8.815  -0.147          0.135
+ATOM     20  CA  ALA    11      -1.913  -5.953  -2.108          0.083
+ATOM     21  CB  ALA    11      -1.152  -5.823  -2.169          0.086
+ATOM     22  CA  ALA    12      -4.367  -6.092  -4.965          0.001
+ATOM     23  CB  ALA    12      -4.607  -6.803  -4.900          0.020
+ATOM     24  CA  ALA    13      -6.169  -2.806  -4.896          0.058
+ATOM     25  CB  ALA    13      -6.245  -2.664  -5.579          0.020
+ATOM     26  CA  CYS    14      -9.464  -1.448  -3.573          0.074
+ATOM     27  CB  CYS    14      -9.157  -1.186  -2.399          0.008
+ATOM     28  CA  ALA    15     -12.193   1.285  -3.333          0.048
+ATOM     29  CB  ALA    15     -12.328   1.594  -3.926          0.115
+ATOM     30  CA  ALA    16     -15.874   1.263  -2.342          0.020
+ATOM     31  CB  ALA    16     -15.959   1.615  -1.716          0.183
+ATOM     32  CA  ALA    17     -16.978   4.265  -4.193          0.014
+ATOM     33  CB  ALA    17     -16.412   4.215  -4.693          0.025
+ATOM     34  CA  GLY    18     -20.145   6.127  -5.179          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  519.45                                       ENERGY    -1.37396E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -1.891  -0.619  -1.009          0.055
+ATOM      2  CA  ALA     2      -5.466   0.503  -1.198          0.015
+ATOM      3  CB  ALA     2      -5.655   0.312  -1.830          0.114
+ATOM      4  CA  ALA     3      -5.866   0.114   2.538          0.037
+ATOM      5  CB  ALA     3      -5.247   0.487   2.680          0.030
+ATOM      6  CA  ALA     4      -8.800   2.511   2.356          0.044
+ATOM      7  CB  ALA     4      -9.116   3.190   2.265          0.034
+ATOM      8  CA  CYS     5     -11.211  -0.285   1.714          0.007
+ATOM      9  CB  CYS     5     -10.622  -0.830   0.733          0.013
+ATOM     10  CA  ALA     6      -9.559  -3.078   3.647          0.025
+ATOM     11  CB  ALA     6      -9.782  -3.096   4.319          0.035
+ATOM     12  CA  ALA     7     -11.542  -5.574   1.550          0.029
+ATOM     13  CB  ALA     7     -12.153  -5.354   1.638          0.024
+ATOM     14  CA  ALA     8      -8.673  -5.906  -0.963          0.027
+ATOM     15  CB  ALA     8      -8.268  -5.859  -1.659          0.127
+ATOM     16  CA  ALA     9      -5.964  -4.776   1.426          0.020
+ATOM     17  CB  ALA     9      -5.849  -4.506   2.179          0.078
+ATOM     18  CA  ALA    10      -4.504  -7.981   0.153          0.005
+ATOM     19  CB  ALA    10      -4.726  -8.191  -0.544          0.073
+ATOM     20  CA  ALA    11      -1.784  -6.361  -2.017          0.014
+ATOM     21  CB  ALA    11      -1.137  -6.741  -2.084          0.207
+ATOM     22  CA  ALA    12      -4.353  -5.828  -4.761          0.016
+ATOM     23  CB  ALA    12      -4.884  -6.376  -4.981          0.028
+ATOM     24  CA  ALA    13      -6.595  -2.690  -5.147          0.008
+ATOM     25  CB  ALA    13      -6.453  -2.497  -5.852          0.057
+ATOM     26  CA  CYS    14     -10.107  -1.905  -3.773          0.029
+ATOM     27  CB  CYS    14      -9.750  -2.194  -2.639          0.077
+ATOM     28  CA  ALA    15     -12.306   1.193  -3.902          0.023
+ATOM     29  CB  ALA    15     -12.505   1.280  -4.581          0.178
+ATOM     30  CA  ALA    16     -15.345   1.658  -1.655          0.036
+ATOM     31  CB  ALA    16     -15.005   1.272  -1.062          0.025
+ATOM     32  CA  ALA    17     -16.558   4.609  -3.587          0.099
+ATOM     33  CB  ALA    17     -16.432   4.450  -4.370          0.026
+ATOM     34  CA  GLY    18     -19.865   6.140  -4.320          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  524.45                                       ENERGY    -2.10977E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -2.067   0.572  -2.363          0.019
+ATOM      2  CA  ALA     2      -5.670   0.678  -1.245          0.003
+ATOM      3  CB  ALA     2      -5.855  -0.023  -1.480          0.046
+ATOM      4  CA  ALA     3      -5.921   0.259   2.512          0.027
+ATOM      5  CB  ALA     3      -5.286   0.220   2.800          0.071
+ATOM      6  CA  ALA     4      -9.034   2.613   2.449          0.011
+ATOM      7  CB  ALA     4      -9.191   3.189   1.982          0.074
+ATOM      8  CA  CYS     5     -11.272  -0.319   1.552          0.066
+ATOM      9  CB  CYS     5     -11.206  -0.505   0.338          0.010
+ATOM     10  CA  ALA     6      -8.994  -2.784   3.274          0.024
+ATOM     11  CB  ALA     6      -8.752  -2.979   3.932          0.230
+ATOM     12  CA  ALA     7     -11.098  -5.697   2.133          0.018
+ATOM     13  CB  ALA     7     -11.365  -5.451   1.457          0.075
+ATOM     14  CA  ALA     8      -8.707  -6.772  -0.573          0.034
+ATOM     15  CB  ALA     8      -8.494  -6.384  -1.171          0.058
+ATOM     16  CA  ALA     9      -5.917  -5.114   1.292          0.013
+ATOM     17  CB  ALA     9      -5.834  -4.408   1.674          0.090
+ATOM     18  CA  ALA    10      -3.901  -8.254   0.828          0.059
+ATOM     19  CB  ALA    10      -4.390  -8.821   0.996          0.143
+ATOM     20  CA  ALA    11      -2.286  -6.357  -2.002          0.022
+ATOM     21  CB  ALA    11      -1.645  -6.503  -2.199          0.214
+ATOM     22  CA  ALA    12      -4.816  -5.490  -4.677          0.015
+ATOM     23  CB  ALA    12      -5.331  -6.032  -4.663          0.026
+ATOM     24  CA  ALA    13      -6.688  -2.311  -5.384          0.011
+ATOM     25  CB  ALA    13      -6.575  -1.720  -5.835          0.010
+ATOM     26  CA  CYS    14     -10.367  -2.427  -4.240          0.062
+ATOM     27  CB  CYS    14     -10.331  -2.464  -3.046          0.069
+ATOM     28  CA  ALA    15     -12.661   0.620  -4.596          0.095
+ATOM     29  CB  ALA    15     -12.842   0.918  -5.257          0.024
+ATOM     30  CA  ALA    16     -14.886   1.739  -1.764          0.007
+ATOM     31  CB  ALA    16     -14.598   2.030  -1.179          0.063
+ATOM     32  CA  ALA    17     -16.014   4.845  -3.517          0.162
+ATOM     33  CB  ALA    17     -15.589   4.886  -4.120          0.015
+ATOM     34  CA  GLY    18     -19.393   5.603  -1.865          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  529.45                                       ENERGY    -1.62070E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -2.666   1.178  -3.259          0.044
+ATOM      2  CA  ALA     2      -5.849   1.342  -1.259          0.038
+ATOM      3  CB  ALA     2      -6.219   0.727  -1.398          0.028
+ATOM      4  CA  ALA     3      -6.055   0.313   2.396          0.034
+ATOM      5  CB  ALA     3      -5.793   0.776   2.861          0.068
+ATOM      6  CA  ALA     4      -9.077   2.565   2.211          0.034
+ATOM      7  CB  ALA     4      -9.229   3.215   1.859          0.015
+ATOM      8  CA  CYS     5     -11.027  -0.486   1.042          0.076
+ATOM      9  CB  CYS     5     -10.579  -1.304   0.266          0.092
+ATOM     10  CA  ALA     6      -8.824  -2.879   3.020          0.025
+ATOM     11  CB  ALA     6      -8.425  -2.488   3.625          0.012
+ATOM     12  CA  ALA     7     -10.978  -5.886   2.268          0.012
+ATOM     13  CB  ALA     7     -11.508  -5.756   2.638          0.107
+ATOM     14  CA  ALA     8      -8.685  -6.538  -0.698          0.003
+ATOM     15  CB  ALA     8      -9.028  -6.698  -1.292          0.091
+ATOM     16  CA  ALA     9      -5.739  -5.023   1.258          0.005
+ATOM     17  CB  ALA     9      -5.716  -4.726   1.928          0.004
+ATOM     18  CA  ALA    10      -3.625  -8.212   0.939          0.025
+ATOM     19  CB  ALA    10      -3.986  -8.768   1.190          0.140
+ATOM     20  CA  ALA    11      -2.319  -6.328  -2.091          0.023
+ATOM     21  CB  ALA    11      -1.603  -6.648  -2.094          0.172
+ATOM     22  CA  ALA    12      -5.300  -5.733  -4.296          0.063
+ATOM     23  CB  ALA    12      -5.972  -6.095  -4.158          0.059
+ATOM     24  CA  ALA    13      -6.923  -2.395  -5.079          0.005
+ATOM     25  CB  ALA    13      -6.797  -2.208  -5.723          0.030
+ATOM     26  CA  CYS    14     -10.706  -2.229  -4.496          0.006
+ATOM     27  CB  CYS    14     -10.609  -2.285  -3.306          0.031
+ATOM     28  CA  ALA    15     -12.932   0.752  -5.391          0.062
+ATOM     29  CB  ALA    15     -13.530   0.566  -5.748          0.040
+ATOM     30  CA  ALA    16     -14.287   1.697  -1.978          0.012
+ATOM     31  CB  ALA    16     -14.006   1.427  -1.300          0.111
+ATOM     32  CA  ALA    17     -15.697   4.963  -3.179          0.059
+ATOM     33  CB  ALA    17     -16.072   5.322  -3.706          0.038
+ATOM     34  CA  GLY    18     -17.947   5.406  -0.136          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  534.45                                       ENERGY    -1.61135E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -2.924   1.244  -3.735          0.063
+ATOM      2  CA  ALA     2      -5.837   2.338  -1.606          0.043
+ATOM      3  CB  ALA     2      -6.545   2.060  -1.777          0.077
+ATOM      4  CA  ALA     3      -6.049   1.311   2.048          0.071
+ATOM      5  CB  ALA     3      -5.600   1.832   2.373          0.090
+ATOM      6  CA  ALA     4      -9.739   2.209   2.143          0.060
+ATOM      7  CB  ALA     4     -10.040   2.684   1.614          0.129
+ATOM      8  CA  CYS     5     -10.413  -1.241   0.852          0.027
+ATOM      9  CB  CYS     5      -9.509  -1.731   0.072          0.039
+ATOM     10  CA  ALA     6      -8.940  -2.786   3.996          0.035
+ATOM     11  CB  ALA     6      -9.132  -2.487   4.590          0.090
+ATOM     12  CA  ALA     7     -10.836  -6.040   3.267          0.002
+ATOM     13  CB  ALA     7     -11.403  -5.948   2.648          0.108
+ATOM     14  CA  ALA     8      -9.219  -6.508  -0.162          0.029
+ATOM     15  CB  ALA     8      -9.087  -6.525  -0.938          0.064
+ATOM     16  CA  ALA     9      -6.015  -5.032   1.278          0.009
+ATOM     17  CB  ALA     9      -5.894  -4.515   1.660          0.028
+ATOM     18  CA  ALA    10      -3.985  -8.156   0.597          0.014
+ATOM     19  CB  ALA    10      -4.137  -8.755   0.163          0.032
+ATOM     20  CA  ALA    11      -1.851  -6.773  -2.220          0.021
+ATOM     21  CB  ALA    11      -1.317  -6.707  -2.697          0.168
+ATOM     22  CA  ALA    12      -4.939  -6.073  -4.330          0.017
+ATOM     23  CB  ALA    12      -5.298  -6.558  -4.024          0.049
+ATOM     24  CA  ALA    13      -7.298  -3.184  -5.002          0.022
+ATOM     25  CB  ALA    13      -6.989  -3.029  -5.654          0.110
+ATOM     26  CA  CYS    14     -10.827  -1.713  -4.525          0.006
+ATOM     27  CB  CYS    14     -10.771  -2.168  -3.414          0.008
+ATOM     28  CA  ALA    15     -13.451   0.706  -5.853          0.034
+ATOM     29  CB  ALA    15     -14.118   0.784  -6.141          0.013
+ATOM     30  CA  ALA    16     -14.347   1.546  -2.297          0.023
+ATOM     31  CB  ALA    16     -13.786   1.413  -1.794          0.068
+ATOM     32  CA  ALA    17     -15.480   5.200  -2.585          0.046
+ATOM     33  CB  ALA    17     -16.126   5.177  -3.095          0.033
+ATOM     34  CA  GLY    18     -16.485   5.382   1.095          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  539.45                                       ENERGY    -8.24767E+00
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -2.844   1.706  -4.037          0.021
+ATOM      2  CA  ALA     2      -5.984   2.848  -2.171          0.018
+ATOM      3  CB  ALA     2      -6.683   2.967  -2.321          0.066
+ATOM      4  CA  ALA     3      -6.562   2.453   1.552          0.030
+ATOM      5  CB  ALA     3      -5.900   2.674   1.801          0.212
+ATOM      6  CA  ALA     4     -10.230   2.170   2.383          0.009
+ATOM      7  CB  ALA     4     -10.174   2.626   1.795          0.021
+ATOM      8  CA  CYS     5     -10.173  -1.397   1.040          0.019
+ATOM      9  CB  CYS     5      -9.573  -1.725  -0.046          0.013
+ATOM     10  CA  ALA     6      -9.124  -2.858   4.413          0.051
+ATOM     11  CB  ALA     6      -9.364  -2.736   5.105          0.033
+ATOM     12  CA  ALA     7     -10.788  -6.189   3.564          0.001
+ATOM     13  CB  ALA     7     -11.421  -6.358   3.827          0.041
+ATOM     14  CA  ALA     8      -9.129  -6.810   0.133          0.059
+ATOM     15  CB  ALA     8      -9.452  -6.286  -0.428          0.053
+ATOM     16  CA  ALA     9      -5.856  -5.045   0.721          0.017
+ATOM     17  CB  ALA     9      -6.031  -4.619   1.298          0.067
+ATOM     18  CA  ALA    10      -3.925  -8.224   0.346          0.025
+ATOM     19  CB  ALA    10      -4.468  -8.760   0.430          0.017
+ATOM     20  CA  ALA    11      -2.140  -6.567  -2.449          0.015
+ATOM     21  CB  ALA    11      -1.389  -6.551  -2.545          0.061
+ATOM     22  CA  ALA    12      -5.397  -6.283  -4.433          0.022
+ATOM     23  CB  ALA    12      -5.964  -6.499  -3.985          0.047
+ATOM     24  CA  ALA    13      -7.267  -3.355  -6.161          0.039
+ATOM     25  CB  ALA    13      -7.282  -3.325  -6.871          0.157
+ATOM     26  CA  CYS    14     -10.695  -2.703  -4.645          0.044
+ATOM     27  CB  CYS    14     -10.395  -2.542  -3.417          0.036
+ATOM     28  CA  ALA    15     -12.673   0.373  -5.462          0.064
+ATOM     29  CB  ALA    15     -12.995   0.040  -6.119          0.170
+ATOM     30  CA  ALA    16     -14.355   1.640  -2.272          0.030
+ATOM     31  CB  ALA    16     -13.749   1.843  -1.811          0.004
+ATOM     32  CA  ALA    17     -15.608   5.196  -1.886          0.021
+ATOM     33  CB  ALA    17     -15.947   5.699  -2.265          0.058
+ATOM     34  CA  GLY    18     -15.200   5.183   1.947          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  544.45                                       ENERGY    -9.88504E+00
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -2.979   2.906  -4.335          0.056
+ATOM      2  CA  ALA     2      -6.348   3.250  -2.609          0.052
+ATOM      3  CB  ALA     2      -6.853   2.743  -2.949          0.046
+ATOM      4  CA  ALA     3      -6.900   2.511   1.079          0.040
+ATOM      5  CB  ALA     3      -6.598   2.980   1.638          0.055
+ATOM      6  CA  ALA     4     -10.459   2.268   2.237          0.045
+ATOM      7  CB  ALA     4     -11.176   2.457   2.221          0.049
+ATOM      8  CA  CYS     5     -10.649  -1.465   1.257          0.003
+ATOM      9  CB  CYS     5     -10.156  -2.071   0.298          0.041
+ATOM     10  CA  ALA     6      -8.563  -2.692   4.208          0.040
+ATOM     11  CB  ALA     6      -8.170  -2.522   4.823          0.071
+ATOM     12  CA  ALA     7     -10.421  -6.021   3.812          0.057
+ATOM     13  CB  ALA     7     -10.996  -6.468   3.844          0.075
+ATOM     14  CA  ALA     8      -9.293  -6.569   0.270          0.056
+ATOM     15  CB  ALA     8      -9.617  -6.545  -0.330          0.069
+ATOM     16  CA  ALA     9      -6.221  -4.425   0.959          0.042
+ATOM     17  CB  ALA     9      -6.027  -3.847   1.433          0.057
+ATOM     18  CA  ALA    10      -4.278  -7.718   0.797          0.004
+ATOM     19  CB  ALA    10      -4.265  -8.308   0.358          0.011
+ATOM     20  CA  ALA    11      -2.778  -6.780  -2.640          0.031
+ATOM     21  CB  ALA    11      -2.436  -7.239  -3.037          0.073
+ATOM     22  CA  ALA    12      -5.693  -6.575  -4.953          0.017
+ATOM     23  CB  ALA    12      -6.293  -6.619  -4.543          0.021
+ATOM     24  CA  ALA    13      -7.183  -3.689  -6.934          0.008
+ATOM     25  CB  ALA    13      -7.257  -4.021  -7.691          0.072
+ATOM     26  CA  CYS    14     -10.309  -3.319  -4.725          0.004
+ATOM     27  CB  CYS    14      -9.851  -3.307  -3.513          0.072
+ATOM     28  CA  ALA    15     -11.931   0.079  -4.976          0.008
+ATOM     29  CB  ALA    15     -12.631   0.294  -5.275          0.094
+ATOM     30  CA  ALA    16     -13.452   2.032  -2.067          0.051
+ATOM     31  CB  ALA    16     -12.761   1.858  -1.724          0.162
+ATOM     32  CA  ALA    17     -15.337   5.313  -1.326          0.004
+ATOM     33  CB  ALA    17     -15.891   5.560  -1.172          0.034
+ATOM     34  CA  GLY    18     -14.987   4.991   2.426          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  549.45                                       ENERGY    -1.04131E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -3.813   4.515  -4.139          0.075
+ATOM      2  CA  ALA     2      -7.046   3.024  -2.992          0.046
+ATOM      3  CB  ALA     2      -7.461   2.441  -3.066          0.026
+ATOM      4  CA  ALA     3      -7.208   1.898   0.676          0.015
+ATOM      5  CB  ALA     3      -6.849   2.489   0.891          0.023
+ATOM      6  CA  ALA     4     -10.657   1.820   2.381          0.014
+ATOM      7  CB  ALA     4     -11.133   2.301   2.738          0.061
+ATOM      8  CA  CYS     5     -11.458  -1.745   1.409          0.003
+ATOM      9  CB  CYS     5     -10.983  -1.527   0.345          0.029
+ATOM     10  CA  ALA     6      -8.378  -2.504   3.518          0.003
+ATOM     11  CB  ALA     6      -8.331  -1.861   4.013          0.030
+ATOM     12  CA  ALA     7      -9.436  -6.097   4.236          0.051
+ATOM     13  CB  ALA     7      -9.895  -5.737   4.552          0.142
+ATOM     14  CA  ALA     8      -9.322  -6.711   0.509          0.013
+ATOM     15  CB  ALA     8      -9.374  -6.162   0.033          0.041
+ATOM     16  CA  ALA     9      -6.254  -4.526   0.300          0.002
+ATOM     17  CB  ALA     9      -6.282  -3.950   0.728          0.184
+ATOM     18  CA  ALA    10      -4.062  -7.574   0.670          0.041
+ATOM     19  CB  ALA    10      -4.158  -7.687   1.379          0.179
+ATOM     20  CA  ALA    11      -3.040  -7.239  -2.992          0.030
+ATOM     21  CB  ALA    11      -2.582  -7.606  -3.398          0.047
+ATOM     22  CA  ALA    12      -6.235  -7.482  -5.011          0.033
+ATOM     23  CB  ALA    12      -6.887  -7.208  -4.662          0.046
+ATOM     24  CA  ALA    13      -7.437  -4.521  -7.198          0.011
+ATOM     25  CB  ALA    13      -7.620  -4.402  -7.913          0.075
+ATOM     26  CA  CYS    14      -9.636  -2.871  -4.604          0.030
+ATOM     27  CB  CYS    14      -9.247  -2.394  -3.510          0.116
+ATOM     28  CA  ALA    15     -11.575   0.414  -4.618          0.027
+ATOM     29  CB  ALA    15     -11.982   0.082  -5.093          0.063
+ATOM     30  CA  ALA    16     -12.770   2.238  -1.475          0.018
+ATOM     31  CB  ALA    16     -12.164   2.238  -1.213          0.082
+ATOM     32  CA  ALA    17     -14.952   5.205  -0.961          0.008
+ATOM     33  CB  ALA    17     -15.452   4.917  -1.438          0.057
+ATOM     34  CA  GLY    18     -14.838   4.806   2.840          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  554.42                                       ENERGY    -1.69674E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -4.927   4.828  -4.172          0.048
+ATOM      2  CA  ALA     2      -8.201   3.787  -2.694          0.037
+ATOM      3  CB  ALA     2      -8.350   3.205  -3.234          0.085
+ATOM      4  CA  ALA     3      -7.538   1.688   0.432          0.010
+ATOM      5  CB  ALA     3      -7.327   1.852   1.113          0.044
+ATOM      6  CA  ALA     4     -10.590   1.537   2.686          0.027
+ATOM      7  CB  ALA     4     -11.117   2.028   2.924          0.013
+ATOM      8  CA  CYS     5     -11.032  -2.138   1.762          0.029
+ATOM      9  CB  CYS     5     -10.606  -1.643   0.739          0.021
+ATOM     10  CA  ALA     6      -7.646  -2.300   3.426          0.083
+ATOM     11  CB  ALA     6      -7.364  -1.831   3.840          0.155
+ATOM     12  CA  ALA     7      -8.581  -5.888   3.987          0.069
+ATOM     13  CB  ALA     7      -9.239  -6.153   4.380          0.256
+ATOM     14  CA  ALA     8      -9.113  -6.302   0.299          0.027
+ATOM     15  CB  ALA     8      -9.755  -6.603   0.128          0.159
+ATOM     16  CA  ALA     9      -6.095  -4.201  -0.391          0.019
+ATOM     17  CB  ALA     9      -5.819  -3.883   0.146          0.018
+ATOM     18  CA  ALA    10      -3.855  -7.160   0.451          0.032
+ATOM     19  CB  ALA    10      -4.157  -7.862   0.589          0.047
+ATOM     20  CA  ALA    11      -3.057  -8.109  -3.204          0.029
+ATOM     21  CB  ALA    11      -3.042  -8.912  -3.317          0.046
+ATOM     22  CA  ALA    12      -6.484  -8.184  -4.748          0.089
+ATOM     23  CB  ALA    12      -7.112  -8.556  -4.411          0.055
+ATOM     24  CA  ALA    13      -7.705  -4.921  -6.238          0.026
+ATOM     25  CB  ALA    13      -7.733  -5.268  -6.952          0.360
+ATOM     26  CA  CYS    14      -9.329  -2.098  -4.287          0.034
+ATOM     27  CB  CYS    14      -9.296  -2.209  -3.012          0.022
+ATOM     28  CA  ALA    15     -11.421   0.887  -5.280          0.031
+ATOM     29  CB  ALA    15     -11.941   1.002  -5.804          0.037
+ATOM     30  CA  ALA    16     -12.773   2.471  -2.030          0.008
+ATOM     31  CB  ALA    16     -12.159   2.489  -1.662          0.121
+ATOM     32  CA  ALA    17     -15.114   5.315  -0.927          0.020
+ATOM     33  CB  ALA    17     -15.764   5.711  -1.021          0.108
+ATOM     34  CA  GLY    18     -14.840   5.178   2.777          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  559.42                                       ENERGY    -1.99160E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -5.611   5.156  -4.909          0.047
+ATOM      2  CA  ALA     2      -8.215   4.965  -2.215          0.013
+ATOM      3  CB  ALA     2      -8.935   4.944  -2.218          0.144
+ATOM      4  CA  ALA     3      -7.538   2.390   0.596          0.012
+ATOM      5  CB  ALA     3      -6.915   2.286   1.130          0.062
+ATOM      6  CA  ALA     4     -10.807   1.733   2.540          0.004
+ATOM      7  CB  ALA     4     -11.467   1.727   2.229          0.032
+ATOM      8  CA  CYS     5     -10.612  -2.054   2.252          0.005
+ATOM      9  CB  CYS     5     -10.324  -1.973   1.050          0.055
+ATOM     10  CA  ALA     6      -7.019  -2.656   3.255          0.037
+ATOM     11  CB  ALA     6      -6.561  -2.274   3.681          0.080
+ATOM     12  CA  ALA     7      -7.769  -6.426   3.354          0.014
+ATOM     13  CB  ALA     7      -7.951  -6.933   3.809          0.267
+ATOM     14  CA  ALA     8      -9.003  -6.318  -0.171          0.015
+ATOM     15  CB  ALA     8      -9.515  -6.326  -0.667          0.366
+ATOM     16  CA  ALA     9      -5.747  -4.776  -1.387          0.016
+ATOM     17  CB  ALA     9      -5.498  -4.122  -1.221          0.041
+ATOM     18  CA  ALA    10      -3.705  -7.475   0.259          0.033
+ATOM     19  CB  ALA    10      -3.948  -8.055   0.766          0.059
+ATOM     20  CA  ALA    11      -3.251  -8.957  -3.236          0.019
+ATOM     21  CB  ALA    11      -2.651  -9.153  -3.535          0.039
+ATOM     22  CA  ALA    12      -6.989  -8.665  -3.891          0.089
+ATOM     23  CB  ALA    12      -7.399  -9.011  -3.385          0.140
+ATOM     24  CA  ALA    13      -8.251  -5.201  -4.995          0.048
+ATOM     25  CB  ALA    13      -8.220  -5.399  -5.715          0.109
+ATOM     26  CA  CYS    14      -9.715  -1.869  -3.825          0.039
+ATOM     27  CB  CYS    14      -9.709  -1.598  -2.606          0.029
+ATOM     28  CA  ALA    15     -11.642   0.937  -5.454          0.022
+ATOM     29  CB  ALA    15     -11.807   1.112  -6.144          0.048
+ATOM     30  CA  ALA    16     -13.348   2.462  -2.373          0.022
+ATOM     31  CB  ALA    16     -13.231   1.940  -1.871          0.018
+ATOM     32  CA  ALA    17     -14.883   5.639  -0.941          0.001
+ATOM     33  CB  ALA    17     -15.249   5.788  -1.535          0.177
+ATOM     34  CA  GLY    18     -15.197   5.726   2.787          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  564.42                                       ENERGY    -1.99797E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -6.848   6.022  -5.126          0.022
+ATOM      2  CA  ALA     2      -8.014   5.705  -1.569          0.019
+ATOM      3  CB  ALA     2      -8.419   6.198  -1.172          0.175
+ATOM      4  CA  ALA     3      -7.954   2.431   0.389          0.018
+ATOM      5  CB  ALA     3      -7.329   2.125   0.385          0.264
+ATOM      6  CA  ALA     4     -10.193   1.492   3.265          0.019
+ATOM      7  CB  ALA     4     -10.469   2.135   3.416          0.091
+ATOM      8  CA  CYS     5     -10.290  -2.132   2.183          0.049
+ATOM      9  CB  CYS     5     -10.183  -1.750   0.984          0.026
+ATOM     10  CA  ALA     6      -6.650  -2.403   3.050          0.051
+ATOM     11  CB  ALA     6      -6.553  -2.446   3.730          0.244
+ATOM     12  CA  ALA     7      -7.149  -6.055   3.560          0.026
+ATOM     13  CB  ALA     7      -7.499  -6.300   4.094          0.026
+ATOM     14  CA  ALA     8      -8.351  -6.561   0.056          0.016
+ATOM     15  CB  ALA     8      -8.526  -5.935  -0.326          0.128
+ATOM     16  CA  ALA     9      -5.453  -4.467  -1.354          0.021
+ATOM     17  CB  ALA     9      -5.533  -3.861  -0.973          0.012
+ATOM     18  CA  ALA    10      -3.436  -7.471  -0.118          0.020
+ATOM     19  CB  ALA    10      -3.969  -7.519   0.245          0.029
+ATOM     20  CA  ALA    11      -3.518  -9.386  -3.420          0.011
+ATOM     21  CB  ALA    11      -3.624 -10.128  -3.357          0.048
+ATOM     22  CA  ALA    12      -7.154  -8.586  -4.237          0.011
+ATOM     23  CB  ALA    12      -7.408  -9.018  -3.658          0.096
+ATOM     24  CA  ALA    13      -9.026  -5.529  -5.564          0.107
+ATOM     25  CB  ALA    13      -9.513  -5.495  -6.160          0.023
+ATOM     26  CA  CYS    14     -10.452  -2.458  -3.868          0.016
+ATOM     27  CB  CYS    14     -10.723  -2.406  -2.591          0.081
+ATOM     28  CA  ALA    15     -11.446   0.931  -5.240          0.028
+ATOM     29  CB  ALA    15     -11.745   0.891  -5.898          0.003
+ATOM     30  CA  ALA    16     -13.267   1.663  -2.003          0.060
+ATOM     31  CB  ALA    16     -13.035   1.382  -1.392          0.155
+ATOM     32  CA  ALA    17     -14.034   5.262  -1.338          0.030
+ATOM     33  CB  ALA    17     -14.339   5.857  -1.776          0.042
+ATOM     34  CA  GLY    18     -16.154   6.327   1.616          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  569.42                                       ENERGY    -2.13378E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -8.019   7.263  -4.602          0.049
+ATOM      2  CA  ALA     2      -7.710   6.189  -0.960          0.033
+ATOM      3  CB  ALA     2      -8.116   6.651  -0.549          0.192
+ATOM      4  CA  ALA     3      -8.654   2.631   0.044          0.015
+ATOM      5  CB  ALA     3      -8.443   2.036  -0.307          0.147
+ATOM      6  CA  ALA     4      -9.558   1.869   3.589          0.041
+ATOM      7  CB  ALA     4     -10.143   1.854   4.037          0.029
+ATOM      8  CA  CYS     5      -9.414  -1.672   2.036          0.041
+ATOM      9  CB  CYS     5     -10.000  -2.058   0.989          0.008
+ATOM     10  CA  ALA     6      -5.786  -2.363   2.803          0.073
+ATOM     11  CB  ALA     6      -5.359  -1.869   3.037          0.180
+ATOM     12  CA  ALA     7      -6.830  -5.920   3.677          0.019
+ATOM     13  CB  ALA     7      -7.207  -6.396   4.034          0.129
+ATOM     14  CA  ALA     8      -8.675  -6.123   0.341          0.113
+ATOM     15  CB  ALA     8      -9.133  -5.993   0.962          0.156
+ATOM     16  CA  ALA     9      -5.577  -4.695  -1.383          0.016
+ATOM     17  CB  ALA     9      -5.207  -4.000  -1.352          0.026
+ATOM     18  CA  ALA    10      -3.483  -7.750  -0.343          0.011
+ATOM     19  CB  ALA    10      -3.366  -8.130   0.320          0.149
+ATOM     20  CA  ALA    11      -3.943  -9.148  -3.845          0.012
+ATOM     21  CB  ALA    11      -3.306  -9.527  -3.877          0.050
+ATOM     22  CA  ALA    12      -7.708  -8.742  -3.966          0.023
+ATOM     23  CB  ALA    12      -8.277  -8.494  -3.577          0.058
+ATOM     24  CA  ALA    13      -9.079  -5.912  -6.109          0.017
+ATOM     25  CB  ALA    13      -9.284  -6.318  -6.679          0.030
+ATOM     26  CA  CYS    14     -11.077  -3.296  -4.147          0.037
+ATOM     27  CB  CYS    14     -10.980  -3.150  -2.828          0.028
+ATOM     28  CA  ALA    15     -11.548   0.445  -4.376          0.018
+ATOM     29  CB  ALA    15     -11.568   0.806  -5.038          0.231
+ATOM     30  CA  ALA    16     -13.751   1.663  -1.570          0.026
+ATOM     31  CB  ALA    16     -13.098   1.592  -1.228          0.014
+ATOM     32  CA  ALA    17     -13.505   5.445  -1.338          0.030
+ATOM     33  CB  ALA    17     -13.116   5.525  -1.963          0.062
+ATOM     34  CA  GLY    18     -16.812   6.723   0.155          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  574.39                                       ENERGY    -1.97731E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -8.511   8.579  -4.134          0.065
+ATOM      2  CA  ALA     2      -8.026   6.893  -0.727          0.024
+ATOM      3  CB  ALA     2      -8.260   7.359  -0.340          0.075
+ATOM      4  CA  ALA     3      -8.717   3.282   0.048          0.051
+ATOM      5  CB  ALA     3      -8.338   2.714  -0.350          0.013
+ATOM      6  CA  ALA     4      -9.026   1.842   3.513          0.006
+ATOM      7  CB  ALA     4      -9.290   2.368   4.043          0.025
+ATOM      8  CA  CYS     5      -9.538  -1.751   2.286          0.032
+ATOM      9  CB  CYS     5      -9.467  -2.280   1.092          0.048
+ATOM     10  CA  ALA     6      -5.832  -2.398   1.875          0.062
+ATOM     11  CB  ALA     6      -5.394  -2.148   2.489          0.096
+ATOM     12  CA  ALA     7      -6.074  -5.728   3.592          0.032
+ATOM     13  CB  ALA     7      -5.812  -5.624   4.218          0.079
+ATOM     14  CA  ALA     8      -8.623  -6.761   1.086          0.054
+ATOM     15  CB  ALA     8      -9.140  -7.000   0.560          0.327
+ATOM     16  CA  ALA     9      -6.370  -5.157  -1.526          0.063
+ATOM     17  CB  ALA     9      -6.075  -4.453  -1.466          0.057
+ATOM     18  CA  ALA    10      -3.598  -7.740  -0.848          0.111
+ATOM     19  CB  ALA    10      -4.214  -7.930  -0.330          0.117
+ATOM     20  CA  ALA    11      -4.176  -8.952  -4.433          0.053
+ATOM     21  CB  ALA    11      -4.056  -9.610  -4.583          0.016
+ATOM     22  CA  ALA    12      -7.852  -9.147  -3.881          0.005
+ATOM     23  CB  ALA    12      -7.665  -9.002  -3.182          0.005
+ATOM     24  CA  ALA    13      -8.923  -6.090  -5.837          0.012
+ATOM     25  CB  ALA    13      -9.265  -6.125  -6.482          0.058
+ATOM     26  CA  CYS    14     -11.014  -3.895  -3.530          0.018
+ATOM     27  CB  CYS    14     -10.602  -3.513  -2.403          0.124
+ATOM     28  CA  ALA    15     -11.582  -0.163  -3.983          0.022
+ATOM     29  CB  ALA    15     -11.724   0.150  -4.607          0.097
+ATOM     30  CA  ALA    16     -13.861   1.661  -1.503          0.029
+ATOM     31  CB  ALA    16     -14.096   1.819  -0.764          0.043
+ATOM     32  CA  ALA    17     -13.431   5.478  -1.351          0.018
+ATOM     33  CB  ALA    17     -13.169   5.802  -1.939          0.055
+ATOM     34  CA  GLY    18     -16.724   7.435  -1.152          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  579.39                                       ENERGY    -1.83474E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -8.602   9.569  -3.433          0.010
+ATOM      2  CA  ALA     2      -8.500   7.044  -0.590          0.015
+ATOM      3  CB  ALA     2      -8.884   7.287   0.017          0.053
+ATOM      4  CA  ALA     3      -8.365   3.322  -0.138          0.006
+ATOM      5  CB  ALA     3      -7.875   2.916  -0.037          0.054
+ATOM      6  CA  ALA     4      -8.315   2.054   3.490          0.031
+ATOM      7  CB  ALA     4      -8.915   2.420   3.771          0.092
+ATOM      8  CA  CYS     5      -9.254  -1.451   2.480          0.006
+ATOM      9  CB  CYS     5      -9.326  -1.526   1.185          0.037
+ATOM     10  CA  ALA     6      -5.740  -2.480   1.617          0.108
+ATOM     11  CB  ALA     6      -5.245  -1.880   1.442          0.062
+ATOM     12  CA  ALA     7      -6.178  -5.462   3.870          0.072
+ATOM     13  CB  ALA     7      -6.671  -5.485   4.402          0.030
+ATOM     14  CA  ALA     8      -7.942  -7.180   0.883          0.148
+ATOM     15  CB  ALA     8      -8.593  -7.189   1.007          0.172
+ATOM     16  CA  ALA     9      -5.872  -5.395  -1.671          0.037
+ATOM     17  CB  ALA     9      -5.893  -4.673  -1.909          0.068
+ATOM     18  CA  ALA    10      -3.115  -8.025  -1.697          0.023
+ATOM     19  CB  ALA    10      -3.226  -7.981  -0.976          0.096
+ATOM     20  CA  ALA    11      -4.249  -9.334  -5.087          0.003
+ATOM     21  CB  ALA    11      -4.094 -10.091  -4.928          0.059
+ATOM     22  CA  ALA    12      -8.023  -9.779  -4.594          0.026
+ATOM     23  CB  ALA    12      -8.461 -10.091  -4.060          0.093
+ATOM     24  CA  ALA    13      -9.390  -6.241  -4.785          0.041
+ATOM     25  CB  ALA    13      -9.569  -6.149  -5.476          0.259
+ATOM     26  CA  CYS    14     -11.227  -3.889  -2.467          0.023
+ATOM     27  CB  CYS    14     -10.537  -3.614  -1.470          0.030
+ATOM     28  CA  ALA    15     -12.103  -0.348  -3.628          0.016
+ATOM     29  CB  ALA    15     -12.151  -0.073  -4.334          0.101
+ATOM     30  CA  ALA    16     -14.143   1.915  -1.344          0.004
+ATOM     31  CB  ALA    16     -14.283   1.191  -1.099          0.062
+ATOM     32  CA  ALA    17     -14.067   5.661  -1.707          0.004
+ATOM     33  CB  ALA    17     -13.336   5.656  -2.091          0.055
+ATOM     34  CA  GLY    18     -16.618   8.464  -2.169          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  584.39                                       ENERGY    -1.41307E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -8.629   9.547  -2.662          0.012
+ATOM      2  CA  ALA     2      -8.826   6.973  -0.033          0.004
+ATOM      3  CB  ALA     2      -9.515   6.886   0.086          0.128
+ATOM      4  CA  ALA     3      -8.029   3.300  -0.255          0.007
+ATOM      5  CB  ALA     3      -7.588   2.937  -0.686          0.041
+ATOM      6  CA  ALA     4      -7.785   2.153   3.367          0.014
+ATOM      7  CB  ALA     4      -8.251   2.348   3.855          0.062
+ATOM      8  CA  CYS     5      -8.963  -1.349   2.471          0.061
+ATOM      9  CB  CYS     5      -9.442  -1.595   1.383          0.015
+ATOM     10  CA  ALA     6      -5.307  -1.899   1.410          0.039
+ATOM     11  CB  ALA     6      -4.790  -1.364   1.460          0.040
+ATOM     12  CA  ALA     7      -6.013  -5.024   3.452          0.018
+ATOM     13  CB  ALA     7      -6.534  -4.818   3.905          0.124
+ATOM     14  CA  ALA     8      -7.689  -6.690   0.434          0.022
+ATOM     15  CB  ALA     8      -7.983  -7.072  -0.162          0.409
+ATOM     16  CA  ALA     9      -5.048  -5.387  -1.842          0.037
+ATOM     17  CB  ALA     9      -4.944  -4.608  -1.720          0.094
+ATOM     18  CA  ALA    10      -2.965  -8.650  -1.662          0.031
+ATOM     19  CB  ALA    10      -2.587  -9.323  -1.785          0.037
+ATOM     20  CA  ALA    11      -4.578  -9.785  -4.998          0.011
+ATOM     21  CB  ALA    11      -4.187 -10.078  -5.484          0.012
+ATOM     22  CA  ALA    12      -8.335  -9.652  -4.401          0.031
+ATOM     23  CB  ALA    12      -8.275 -10.063  -3.859          0.084
+ATOM     24  CA  ALA    13     -10.107  -6.260  -4.283          0.010
+ATOM     25  CB  ALA    13     -10.191  -6.150  -5.087          0.055
+ATOM     26  CA  CYS    14     -12.069  -4.026  -1.880          0.046
+ATOM     27  CB  CYS    14     -11.075  -3.805  -1.114          0.034
+ATOM     28  CA  ALA    15     -12.273  -0.428  -3.200          0.049
+ATOM     29  CB  ALA    15     -12.295  -0.452  -3.934          0.017
+ATOM     30  CA  ALA    16     -14.492   1.847  -1.174          0.034
+ATOM     31  CB  ALA    16     -14.830   2.191  -0.581          0.056
+ATOM     32  CA  ALA    17     -14.247   5.445  -2.239          0.010
+ATOM     33  CB  ALA    17     -13.601   5.781  -2.397          0.046
+ATOM     34  CA  GLY    18     -16.493   8.451  -2.833          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  589.39                                       ENERGY    -1.31822E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -8.497   9.350  -2.191          0.010
+ATOM      2  CA  ALA     2      -9.228   6.612   0.333          0.010
+ATOM      3  CB  ALA     2      -9.931   6.394   0.608          0.040
+ATOM      4  CA  ALA     3      -7.843   3.133  -0.521          0.022
+ATOM      5  CB  ALA     3      -7.279   3.104  -0.947          0.012
+ATOM      6  CA  ALA     4      -8.100   2.295   3.127          0.002
+ATOM      7  CB  ALA     4      -8.282   2.801   3.558          0.057
+ATOM      8  CA  CYS     5      -8.600  -1.379   2.602          0.076
+ATOM      9  CB  CYS     5      -9.117  -1.842   1.524          0.014
+ATOM     10  CA  ALA     6      -5.069  -1.596   1.244          0.009
+ATOM     11  CB  ALA     6      -4.369  -1.332   1.134          0.118
+ATOM     12  CA  ALA     7      -5.456  -4.981   2.936          0.065
+ATOM     13  CB  ALA     7      -5.645  -4.937   3.626          0.078
+ATOM     14  CA  ALA     8      -7.311  -6.319  -0.078          0.065
+ATOM     15  CB  ALA     8      -8.058  -6.578  -0.019          0.258
+ATOM     16  CA  ALA     9      -4.121  -5.516  -2.043          0.029
+ATOM     17  CB  ALA     9      -3.638  -5.077  -1.819          0.029
+ATOM     18  CA  ALA    10      -2.902  -9.154  -2.002          0.049
+ATOM     19  CB  ALA    10      -3.656  -9.187  -1.816          0.128
+ATOM     20  CA  ALA    11      -4.993  -9.767  -5.200          0.008
+ATOM     21  CB  ALA    11      -5.009 -10.249  -5.652          0.127
+ATOM     22  CA  ALA    12      -8.496  -9.377  -3.804          0.027
+ATOM     23  CB  ALA    12      -8.432  -9.282  -3.071          0.007
+ATOM     24  CA  ALA    13     -10.378  -6.147  -4.402          0.009
+ATOM     25  CB  ALA    13     -10.383  -6.325  -5.081          0.014
+ATOM     26  CA  CYS    14     -12.073  -4.127  -1.666          0.023
+ATOM     27  CB  CYS    14     -11.211  -3.655  -0.914          0.039
+ATOM     28  CA  ALA    15     -12.803  -0.500  -2.460          0.008
+ATOM     29  CB  ALA    15     -13.334  -0.384  -2.917          0.061
+ATOM     30  CA  ALA    16     -15.009   2.331  -1.244          0.009
+ATOM     31  CB  ALA    16     -14.930   2.137  -0.560          0.043
+ATOM     32  CA  ALA    17     -13.905   5.662  -2.510          0.053
+ATOM     33  CB  ALA    17     -13.187   5.590  -2.791          0.190
+ATOM     34  CA  GLY    18     -17.025   7.715  -3.347          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  594.39                                       ENERGY    -1.17668E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -8.563   9.246  -2.182          0.017
+ATOM      2  CA  ALA     2      -9.545   6.451   0.210          0.019
+ATOM      3  CB  ALA     2     -10.236   6.335   0.483          0.071
+ATOM      4  CA  ALA     3      -7.958   3.016  -0.391          0.002
+ATOM      5  CB  ALA     3      -7.223   2.929  -0.638          0.023
+ATOM      6  CA  ALA     4      -8.033   2.035   3.323          0.015
+ATOM      7  CB  ALA     4      -8.570   2.488   3.657          0.055
+ATOM      8  CA  CYS     5      -8.398  -1.700   2.458          0.011
+ATOM      9  CB  CYS     5      -9.016  -1.383   1.339          0.005
+ATOM     10  CA  ALA     6      -4.789  -1.618   1.040          0.049
+ATOM     11  CB  ALA     6      -4.328  -1.058   1.211          0.038
+ATOM     12  CA  ALA     7      -4.043  -4.922   2.722          0.107
+ATOM     13  CB  ALA     7      -4.439  -5.012   3.368          0.180
+ATOM     14  CA  ALA     8      -6.620  -6.579   0.434          0.031
+ATOM     15  CB  ALA     8      -6.787  -5.951   0.172          0.079
+ATOM     16  CA  ALA     9      -4.211  -5.649  -2.403          0.081
+ATOM     17  CB  ALA     9      -3.601  -5.140  -2.588          0.041
+ATOM     18  CA  ALA    10      -3.520  -9.381  -1.974          0.011
+ATOM     19  CB  ALA    10      -3.501  -9.902  -1.537          0.154
+ATOM     20  CA  ALA    11      -5.420  -9.798  -5.148          0.011
+ATOM     21  CB  ALA    11      -5.334 -10.386  -5.554          0.180
+ATOM     22  CA  ALA    12      -8.966  -9.405  -4.044          0.030
+ATOM     23  CB  ALA    12      -8.704  -9.588  -3.389          0.018
+ATOM     24  CA  ALA    13     -10.366  -5.897  -4.003          0.028
+ATOM     25  CB  ALA    13     -10.994  -5.669  -4.387          0.060
+ATOM     26  CA  CYS    14     -12.170  -3.622  -1.534          0.030
+ATOM     27  CB  CYS    14     -11.120  -3.278  -1.041          0.044
+ATOM     28  CA  ALA    15     -13.308  -0.217  -2.654          0.004
+ATOM     29  CB  ALA    15     -13.637  -0.622  -3.118          0.028
+ATOM     30  CA  ALA    16     -14.965   2.284  -0.438          0.031
+ATOM     31  CB  ALA    16     -14.886   2.820   0.107          0.051
+ATOM     32  CA  ALA    17     -14.086   5.416  -2.461          0.039
+ATOM     33  CB  ALA    17     -14.003   5.522  -3.226          0.031
+ATOM     34  CA  GLY    18     -17.058   7.272  -4.077          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  599.39                                       ENERGY    -1.14833E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -8.949   9.009  -2.489          0.023
+ATOM      2  CA  ALA     2      -9.652   6.335   0.156          0.001
+ATOM      3  CB  ALA     2     -10.345   6.184   0.287          0.036
+ATOM      4  CA  ALA     3      -8.109   2.856  -0.146          0.025
+ATOM      5  CB  ALA     3      -7.444   2.656  -0.291          0.047
+ATOM      6  CA  ALA     4      -8.294   1.702   3.496          0.031
+ATOM      7  CB  ALA     4      -9.079   1.789   3.738          0.045
+ATOM      8  CA  CYS     5      -7.777  -1.841   2.427          0.002
+ATOM      9  CB  CYS     5      -8.639  -1.368   1.502          0.021
+ATOM     10  CA  ALA     6      -4.287  -1.235   1.052          0.095
+ATOM     11  CB  ALA     6      -3.794  -0.758   1.318          0.037
+ATOM     12  CA  ALA     7      -3.244  -4.681   2.148          0.042
+ATOM     13  CB  ALA     7      -2.748  -4.953   2.641          0.088
+ATOM     14  CA  ALA     8      -6.313  -6.492   0.678          0.018
+ATOM     15  CB  ALA     8      -7.108  -6.338   0.691          0.074
+ATOM     16  CA  ALA     9      -4.363  -6.125  -2.617          0.026
+ATOM     17  CB  ALA     9      -4.494  -5.390  -2.426          0.041
+ATOM     18  CA  ALA    10      -3.142  -9.702  -2.249          0.041
+ATOM     19  CB  ALA    10      -3.285 -10.387  -1.773          0.018
+ATOM     20  CA  ALA    11      -5.839 -10.081  -5.028          0.055
+ATOM     21  CB  ALA    11      -5.435 -10.488  -5.463          0.214
+ATOM     22  CA  ALA    12      -9.292  -9.057  -3.783          0.034
+ATOM     23  CB  ALA    12      -9.569  -9.135  -3.073          0.142
+ATOM     24  CA  ALA    13     -10.875  -5.599  -4.125          0.014
+ATOM     25  CB  ALA    13     -11.512  -5.881  -4.426          0.053
+ATOM     26  CA  CYS    14     -11.801  -3.013  -1.474          0.043
+ATOM     27  CB  CYS    14     -10.761  -2.494  -1.179          0.027
+ATOM     28  CA  ALA    15     -13.418   0.182  -2.709          0.035
+ATOM     29  CB  ALA    15     -14.134   0.280  -2.800          0.069
+ATOM     30  CA  ALA    16     -14.570   2.670  -0.044          0.018
+ATOM     31  CB  ALA    16     -14.203   2.471   0.474          0.038
+ATOM     32  CA  ALA    17     -14.762   5.249  -2.736          0.031
+ATOM     33  CB  ALA    17     -14.436   4.765  -3.191          0.143
+ATOM     34  CA  GLY    18     -17.637   6.806  -4.607          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  604.39                                       ENERGY    -1.96210E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -9.767   8.452  -2.896          0.022
+ATOM      2  CA  ALA     2      -9.603   6.016  -0.019          0.004
+ATOM      3  CB  ALA     2     -10.302   6.135   0.292          0.077
+ATOM      4  CA  ALA     3      -8.332   2.443   0.119          0.006
+ATOM      5  CB  ALA     3      -7.719   2.258  -0.249          0.232
+ATOM      6  CA  ALA     4      -8.148   1.257   3.673          0.014
+ATOM      7  CB  ALA     4      -8.616   1.654   4.056          0.065
+ATOM      8  CA  CYS     5      -7.405  -2.159   2.381          0.021
+ATOM      9  CB  CYS     5      -8.540  -2.004   1.738          0.028
+ATOM     10  CA  ALA     6      -4.147  -1.078   0.797          0.017
+ATOM     11  CB  ALA     6      -3.999  -0.425   0.619          0.041
+ATOM     12  CA  ALA     7      -2.743  -4.353   2.212          0.082
+ATOM     13  CB  ALA     7      -2.465  -4.603   2.836          0.109
+ATOM     14  CA  ALA     8      -5.824  -6.203   1.097          0.059
+ATOM     15  CB  ALA     8      -6.501  -6.041   0.946          0.050
+ATOM     16  CA  ALA     9      -4.999  -5.888  -2.563          0.039
+ATOM     17  CB  ALA     9      -4.533  -5.937  -3.134          0.227
+ATOM     18  CA  ALA    10      -3.698  -9.441  -2.657          0.015
+ATOM     19  CB  ALA    10      -3.828  -9.378  -1.903          0.063
+ATOM     20  CA  ALA    11      -6.430 -10.567  -5.173          0.067
+ATOM     21  CB  ALA    11      -6.957 -10.896  -5.591          0.017
+ATOM     22  CA  ALA    12      -9.094  -8.795  -3.135          0.006
+ATOM     23  CB  ALA    12      -8.682  -8.952  -2.508          0.063
+ATOM     24  CA  ALA    13     -11.119  -5.796  -4.238          0.004
+ATOM     25  CB  ALA    13     -11.653  -5.863  -4.690          0.052
+ATOM     26  CA  CYS    14     -11.196  -2.965  -1.736          0.009
+ATOM     27  CB  CYS    14     -10.094  -2.538  -1.357          0.039
+ATOM     28  CA  ALA    15     -13.364   0.202  -2.428          0.037
+ATOM     29  CB  ALA    15     -13.934  -0.059  -2.894          0.043
+ATOM     30  CA  ALA    16     -14.070   3.295  -0.215          0.022
+ATOM     31  CB  ALA    16     -13.533   3.390   0.277          0.178
+ATOM     32  CA  ALA    17     -15.285   5.904  -2.614          0.018
+ATOM     33  CB  ALA    17     -14.728   6.290  -2.838          0.128
+ATOM     34  CA  GLY    18     -18.535   5.472  -4.463          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  609.39                                       ENERGY    -1.92727E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -10.954   7.300  -3.571          0.068
+ATOM      2  CA  ALA     2      -9.382   6.256  -0.329          0.009
+ATOM      3  CB  ALA     2      -9.606   6.312   0.382          0.060
+ATOM      4  CA  ALA     3      -8.629   2.607   0.280          0.030
+ATOM      5  CB  ALA     3      -7.985   2.476  -0.086          0.114
+ATOM      6  CA  ALA     4      -7.973   1.353   3.740          0.051
+ATOM      7  CB  ALA     4      -8.067   1.140   4.405          0.031
+ATOM      8  CA  CYS     5      -7.464  -2.233   2.553          0.006
+ATOM      9  CB  CYS     5      -8.141  -2.097   1.554          0.022
+ATOM     10  CA  ALA     6      -4.451  -1.347   0.344          0.092
+ATOM     11  CB  ALA     6      -4.065  -0.881   0.844          0.008
+ATOM     12  CA  ALA     7      -2.602  -4.349   1.510          0.028
+ATOM     13  CB  ALA     7      -2.483  -4.055   2.189          0.070
+ATOM     14  CA  ALA     8      -5.736  -6.403   0.862          0.032
+ATOM     15  CB  ALA     8      -6.053  -6.256   1.506          0.043
+ATOM     16  CA  ALA     9      -5.208  -5.708  -2.874          0.010
+ATOM     17  CB  ALA     9      -4.747  -5.370  -2.519          0.131
+ATOM     18  CA  ALA    10      -3.689  -9.202  -3.290          0.020
+ATOM     19  CB  ALA    10      -3.858  -9.769  -2.900          0.258
+ATOM     20  CA  ALA    11      -6.890 -10.539  -4.925          0.018
+ATOM     21  CB  ALA    11      -7.273 -11.194  -5.203          0.022
+ATOM     22  CA  ALA    12      -9.291  -8.957  -2.361          0.056
+ATOM     23  CB  ALA    12      -9.338  -8.684  -1.643          0.147
+ATOM     24  CA  ALA    13     -10.388  -5.723  -4.071          0.019
+ATOM     25  CB  ALA    13     -10.943  -5.858  -4.606          0.049
+ATOM     26  CA  CYS    14     -11.369  -2.978  -1.551          0.055
+ATOM     27  CB  CYS    14     -10.198  -3.070  -1.156          0.015
+ATOM     28  CA  ALA    15     -12.611   0.443  -2.536          0.008
+ATOM     29  CB  ALA    15     -12.767   0.710  -3.144          0.145
+ATOM     30  CA  ALA    16     -14.131   3.474  -0.781          0.027
+ATOM     31  CB  ALA    16     -13.652   3.865  -0.370          0.028
+ATOM     32  CA  ALA    17     -15.701   6.585  -2.303          0.047
+ATOM     33  CB  ALA    17     -15.382   7.085  -2.729          0.127
+ATOM     34  CA  GLY    18     -18.742   4.418  -3.035          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  614.39                                       ENERGY    -1.58783E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -10.895   6.864  -4.145          0.004
+ATOM      2  CA  ALA     2      -9.342   6.232  -0.709          0.029
+ATOM      3  CB  ALA     2      -9.983   6.396  -0.274          0.117
+ATOM      4  CA  ALA     3      -8.773   2.831   0.759          0.013
+ATOM      5  CB  ALA     3      -8.617   2.312   0.418          0.046
+ATOM      6  CA  ALA     4      -7.282   1.259   3.874          0.002
+ATOM      7  CB  ALA     4      -7.625   1.610   4.447          0.085
+ATOM      8  CA  CYS     5      -7.373  -2.238   2.259          0.041
+ATOM      9  CB  CYS     5      -8.106  -2.043   1.319          0.088
+ATOM     10  CA  ALA     6      -4.254  -1.395   0.197          0.052
+ATOM     11  CB  ALA     6      -4.142  -0.826  -0.111          0.007
+ATOM     12  CA  ALA     7      -2.526  -4.563   1.602          0.022
+ATOM     13  CB  ALA     7      -1.960  -4.832   2.081          0.044
+ATOM     14  CA  ALA     8      -5.630  -6.711   0.916          0.026
+ATOM     15  CB  ALA     8      -6.273  -6.395   1.179          0.055
+ATOM     16  CA  ALA     9      -5.761  -5.661  -2.681          0.090
+ATOM     17  CB  ALA     9      -5.839  -4.984  -2.957          0.022
+ATOM     18  CA  ALA    10      -4.138  -8.849  -3.730          0.048
+ATOM     19  CB  ALA    10      -3.806  -9.394  -3.351          0.145
+ATOM     20  CA  ALA    11      -7.407 -10.444  -4.919          0.016
+ATOM     21  CB  ALA    11      -7.617 -11.098  -4.903          0.027
+ATOM     22  CA  ALA    12      -9.285  -9.368  -1.856          0.032
+ATOM     23  CB  ALA    12      -8.586  -8.991  -1.647          0.091
+ATOM     24  CA  ALA    13      -9.707  -5.788  -3.251          0.010
+ATOM     25  CB  ALA    13      -9.831  -5.537  -3.938          0.143
+ATOM     26  CA  CYS    14     -11.608  -2.844  -1.735          0.009
+ATOM     27  CB  CYS    14     -10.676  -2.378  -1.188          0.006
+ATOM     28  CA  ALA    15     -11.740   0.820  -2.750          0.016
+ATOM     29  CB  ALA    15     -11.968   0.786  -3.433          0.086
+ATOM     30  CA  ALA    16     -13.776   3.284  -0.673          0.072
+ATOM     31  CB  ALA    16     -13.333   3.404  -0.062          0.034
+ATOM     32  CA  ALA    17     -15.967   5.985  -2.278          0.032
+ATOM     33  CB  ALA    17     -15.996   6.006  -2.995          0.108
+ATOM     34  CA  GLY    18     -19.721   5.335  -1.615          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  619.39                                       ENERGY    -1.45520E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -10.360   6.523  -4.430          0.028
+ATOM      2  CA  ALA     2      -9.854   6.069  -0.676          0.046
+ATOM      3  CB  ALA     2     -10.401   6.427  -0.383          0.163
+ATOM      4  CA  ALA     3      -8.497   2.656   0.361          0.007
+ATOM      5  CB  ALA     3      -7.960   2.249   0.019          0.022
+ATOM      6  CA  ALA     4      -6.534   1.657   3.474          0.044
+ATOM      7  CB  ALA     4      -6.805   1.898   4.143          0.155
+ATOM      8  CA  CYS     5      -6.834  -2.031   2.576          0.014
+ATOM      9  CB  CYS     5      -7.817  -2.408   1.818          0.078
+ATOM     10  CA  ALA     6      -4.200  -1.446  -0.027          0.053
+ATOM     11  CB  ALA     6      -3.583  -0.947  -0.017          0.022
+ATOM     12  CA  ALA     7      -2.593  -4.671   1.218          0.032
+ATOM     13  CB  ALA     7      -2.843  -4.335   1.867          0.003
+ATOM     14  CA  ALA     8      -5.871  -6.371   0.626          0.007
+ATOM     15  CB  ALA     8      -6.551  -6.746   0.633          0.213
+ATOM     16  CA  ALA     9      -5.693  -5.366  -3.123          0.035
+ATOM     17  CB  ALA     9      -5.315  -4.729  -2.872          0.194
+ATOM     18  CA  ALA    10      -4.214  -8.841  -3.718          0.014
+ATOM     19  CB  ALA    10      -4.206  -8.804  -2.978          0.065
+ATOM     20  CA  ALA    11      -7.557 -10.045  -4.918          0.020
+ATOM     21  CB  ALA    11      -7.728 -10.413  -5.531          0.044
+ATOM     22  CA  ALA    12      -9.165  -9.318  -1.614          0.011
+ATOM     23  CB  ALA    12      -9.422  -9.464  -0.943          0.157
+ATOM     24  CA  ALA    13     -10.011  -5.841  -2.856          0.024
+ATOM     25  CB  ALA    13     -10.090  -6.290  -3.453          0.087
+ATOM     26  CA  CYS    14     -11.297  -2.491  -1.712          0.015
+ATOM     27  CB  CYS    14     -10.631  -2.336  -0.742          0.003
+ATOM     28  CA  ALA    15     -11.819   1.034  -3.271          0.001
+ATOM     29  CB  ALA    15     -12.401   1.230  -3.823          0.036
+ATOM     30  CA  ALA    16     -14.070   2.699  -0.682          0.004
+ATOM     31  CB  ALA    16     -13.555   2.987  -0.285          0.048
+ATOM     32  CA  ALA    17     -16.407   5.177  -2.248          0.035
+ATOM     33  CB  ALA    17     -16.436   4.620  -2.697          0.225
+ATOM     34  CA  GLY    18     -19.395   6.437  -0.334          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  624.39                                       ENERGY    -1.90832E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -10.628   6.333  -4.320          0.026
+ATOM      2  CA  ALA     2      -9.894   5.531  -0.682          0.028
+ATOM      3  CB  ALA     2     -10.254   5.774  -0.042          0.033
+ATOM      4  CA  ALA     3      -7.555   2.566  -0.455          0.031
+ATOM      5  CB  ALA     3      -7.220   2.588  -1.193          0.085
+ATOM      6  CA  ALA     4      -6.622   2.194   3.196          0.024
+ATOM      7  CB  ALA     4      -6.924   2.491   3.791          0.093
+ATOM      8  CA  CYS     5      -6.626  -1.604   2.982          0.064
+ATOM      9  CB  CYS     5      -7.602  -1.394   2.115          0.118
+ATOM     10  CA  ALA     6      -3.985  -1.390   0.314          0.026
+ATOM     11  CB  ALA     6      -3.393  -1.035  -0.082          0.044
+ATOM     12  CA  ALA     7      -2.526  -4.769   1.456          0.095
+ATOM     13  CB  ALA     7      -1.954  -5.099   1.842          0.109
+ATOM     14  CA  ALA     8      -6.067  -6.010   0.616          0.012
+ATOM     15  CB  ALA     8      -6.580  -5.555   0.806          0.075
+ATOM     16  CA  ALA     9      -5.543  -5.431  -3.095          0.001
+ATOM     17  CB  ALA     9      -4.996  -5.049  -3.340          0.113
+ATOM     18  CA  ALA    10      -4.272  -8.925  -3.776          0.031
+ATOM     19  CB  ALA    10      -3.796  -9.503  -3.472          0.095
+ATOM     20  CA  ALA    11      -7.515 -10.163  -5.229          0.015
+ATOM     21  CB  ALA    11      -7.712 -10.725  -5.532          0.006
+ATOM     22  CA  ALA    12      -9.376  -9.093  -2.095          0.037
+ATOM     23  CB  ALA    12      -9.145  -9.143  -1.387          0.160
+ATOM     24  CA  ALA    13     -10.893  -5.734  -3.175          0.017
+ATOM     25  CB  ALA    13     -11.276  -5.819  -3.897          0.178
+ATOM     26  CA  CYS    14     -11.221  -2.696  -0.904          0.049
+ATOM     27  CB  CYS    14     -10.246  -2.408  -0.254          0.015
+ATOM     28  CA  ALA    15     -12.369   0.217  -2.976          0.099
+ATOM     29  CB  ALA    15     -12.474   0.249  -3.748          0.123
+ATOM     30  CA  ALA    16     -14.637   2.226  -0.643          0.056
+ATOM     31  CB  ALA    16     -14.177   2.778  -0.440          0.061
+ATOM     32  CA  ALA    17     -17.099   4.700  -2.154          0.028
+ATOM     33  CB  ALA    17     -17.777   4.634  -2.373          0.050
+ATOM     34  CA  GLY    18     -17.901   7.440   0.452          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  629.35                                       ENERGY    -2.30686E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -11.179   6.573  -4.188          0.029
+ATOM      2  CA  ALA     2      -9.958   5.328  -0.765          0.038
+ATOM      3  CB  ALA     2     -10.220   4.776  -0.264          0.089
+ATOM      4  CA  ALA     3      -7.033   2.869  -1.029          0.070
+ATOM      5  CB  ALA     3      -6.365   2.765  -1.314          0.115
+ATOM      6  CA  ALA     4      -6.365   2.870   2.700          0.023
+ATOM      7  CB  ALA     4      -7.020   3.166   2.923          0.111
+ATOM      8  CA  CYS     5      -6.365  -0.941   2.901          0.022
+ATOM      9  CB  CYS     5      -7.136  -1.328   2.006          0.083
+ATOM     10  CA  ALA     6      -3.702  -1.328   0.114          0.037
+ATOM     11  CB  ALA     6      -3.224  -0.909   0.424          0.094
+ATOM     12  CA  ALA     7      -2.761  -4.830   1.364          0.031
+ATOM     13  CB  ALA     7      -2.832  -4.976   2.145          0.008
+ATOM     14  CA  ALA     8      -6.134  -6.226   0.500          0.042
+ATOM     15  CB  ALA     8      -6.834  -6.055   0.668          0.254
+ATOM     16  CA  ALA     9      -5.587  -5.669  -3.238          0.013
+ATOM     17  CB  ALA     9      -5.373  -4.996  -3.439          0.187
+ATOM     18  CA  ALA    10      -4.191  -9.252  -3.579          0.058
+ATOM     19  CB  ALA    10      -4.121  -9.488  -2.975          0.102
+ATOM     20  CA  ALA    11      -7.223 -10.439  -5.495          0.078
+ATOM     21  CB  ALA    11      -7.515 -11.031  -5.463          0.037
+ATOM     22  CA  ALA    12      -9.409  -8.834  -2.802          0.014
+ATOM     23  CB  ALA    12      -8.755  -8.417  -2.605          0.102
+ATOM     24  CA  ALA    13     -10.892  -5.398  -3.187          0.029
+ATOM     25  CB  ALA    13     -11.572  -5.239  -3.539          0.054
+ATOM     26  CA  CYS    14     -10.939  -3.092  -0.114          0.003
+ATOM     27  CB  CYS    14      -9.850  -2.594  -0.167          0.013
+ATOM     28  CA  ALA    15     -13.041  -0.731  -2.240          0.081
+ATOM     29  CB  ALA    15     -13.462  -1.266  -2.610          0.312
+ATOM     30  CA  ALA    16     -15.047   2.282  -0.943          0.018
+ATOM     31  CB  ALA    16     -14.633   2.690  -0.548          0.031
+ATOM     32  CA  ALA    17     -17.457   5.155  -1.711          0.010
+ATOM     33  CB  ALA    17     -18.059   4.792  -1.788          0.041
+ATOM     34  CA  GLY    18     -17.081   7.836   0.917          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  634.34                                       ENERGY    -1.16736E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -11.572   6.421  -3.537          0.012
+ATOM      2  CA  ALA     2      -9.536   4.870  -0.726          0.046
+ATOM      3  CB  ALA     2      -9.456   4.189  -0.517          0.010
+ATOM      4  CA  ALA     3      -6.549   2.680  -1.814          0.115
+ATOM      5  CB  ALA     3      -5.912   3.105  -1.945          0.211
+ATOM      6  CA  ALA     4      -5.905   3.103   1.913          0.045
+ATOM      7  CB  ALA     4      -6.181   3.619   2.339          0.127
+ATOM      8  CA  CYS     5      -6.395  -0.605   2.540          0.006
+ATOM      9  CB  CYS     5      -7.325  -0.634   1.811          0.038
+ATOM     10  CA  ALA     6      -3.980  -1.592  -0.248          0.007
+ATOM     11  CB  ALA     6      -3.708  -0.944  -0.363          0.098
+ATOM     12  CA  ALA     7      -2.926  -4.799   1.529          0.007
+ATOM     13  CB  ALA     7      -2.926  -4.889   2.238          0.072
+ATOM     14  CA  ALA     8      -6.349  -6.259   0.646          0.001
+ATOM     15  CB  ALA     8      -7.090  -5.978   0.407          0.069
+ATOM     16  CA  ALA     9      -5.352  -5.717  -3.092          0.022
+ATOM     17  CB  ALA     9      -4.841  -5.277  -2.913          0.162
+ATOM     18  CA  ALA    10      -3.798  -9.226  -3.386          0.055
+ATOM     19  CB  ALA    10      -3.725  -9.101  -2.758          0.062
+ATOM     20  CA  ALA    11      -6.607 -10.159  -5.677          0.015
+ATOM     21  CB  ALA    11      -6.825 -10.727  -5.990          0.077
+ATOM     22  CA  ALA    12      -9.372  -9.162  -3.356          0.008
+ATOM     23  CB  ALA    12      -9.833  -9.471  -2.776          0.007
+ATOM     24  CA  ALA    13     -10.915  -5.696  -2.985          0.028
+ATOM     25  CB  ALA    13     -11.600  -5.474  -3.362          0.133
+ATOM     26  CA  CYS    14     -11.306  -2.871  -0.405          0.043
+ATOM     27  CB  CYS    14     -10.165  -2.378  -0.171          0.034
+ATOM     28  CA  ALA    15     -14.589  -1.090  -1.292          0.031
+ATOM     29  CB  ALA    15     -15.239  -1.385  -1.251          0.212
+ATOM     30  CA  ALA    16     -14.690   2.386   0.115          0.011
+ATOM     31  CB  ALA    16     -14.145   2.898   0.002          0.051
+ATOM     32  CA  ALA    17     -17.224   4.858  -1.347          0.016
+ATOM     33  CB  ALA    17     -17.808   5.022  -1.674          0.053
+ATOM     34  CA  GLY    18     -17.140   7.916   0.809          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  639.34                                       ENERGY    -1.51559E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -11.894   5.721  -3.137          0.028
+ATOM      2  CA  ALA     2      -9.079   4.526  -0.895          0.004
+ATOM      3  CB  ALA     2      -9.279   3.889  -0.689          0.099
+ATOM      4  CA  ALA     3      -5.646   3.222  -2.091          0.033
+ATOM      5  CB  ALA     3      -5.682   3.217  -2.867          0.091
+ATOM      6  CA  ALA     4      -4.594   2.839   1.510          0.063
+ATOM      7  CB  ALA     4      -4.582   3.466   1.983          0.223
+ATOM      8  CA  CYS     5      -6.775  -0.282   1.736          0.039
+ATOM      9  CB  CYS     5      -7.924  -0.246   1.347          0.024
+ATOM     10  CA  ALA     6      -4.451  -1.817  -0.782          0.014
+ATOM     11  CB  ALA     6      -3.940  -1.420  -1.179          0.127
+ATOM     12  CA  ALA     7      -3.550  -4.474   1.827          0.062
+ATOM     13  CB  ALA     7      -3.482  -4.726   2.510          0.028
+ATOM     14  CA  ALA     8      -6.557  -6.255   0.337          0.031
+ATOM     15  CB  ALA     8      -7.165  -6.042   0.538          0.114
+ATOM     16  CA  ALA     9      -5.369  -5.431  -3.130          0.007
+ATOM     17  CB  ALA     9      -5.306  -4.796  -3.478          0.012
+ATOM     18  CA  ALA    10      -3.834  -8.850  -2.641          0.028
+ATOM     19  CB  ALA    10      -3.942  -9.272  -2.178          0.056
+ATOM     20  CA  ALA    11      -6.113  -9.492  -5.537          0.034
+ATOM     21  CB  ALA    11      -6.144  -9.869  -6.111          0.175
+ATOM     22  CA  ALA    12      -9.182  -9.356  -3.360          0.016
+ATOM     23  CB  ALA    12      -8.480  -9.390  -3.030          0.015
+ATOM     24  CA  ALA    13     -11.394  -6.383  -3.080          0.046
+ATOM     25  CB  ALA    13     -11.939  -6.802  -3.313          0.057
+ATOM     26  CA  CYS    14     -11.800  -3.516  -0.494          0.007
+ATOM     27  CB  CYS    14     -11.059  -2.554  -0.314          0.025
+ATOM     28  CA  ALA    15     -14.455  -0.786  -0.672          0.049
+ATOM     29  CB  ALA    15     -15.160  -1.018  -0.576          0.059
+ATOM     30  CA  ALA    16     -14.661   2.598   0.883          0.093
+ATOM     31  CB  ALA    16     -13.955   2.633   0.933          0.013
+ATOM     32  CA  ALA    17     -17.231   4.891  -0.658          0.007
+ATOM     33  CB  ALA    17     -17.606   4.284  -0.901          0.051
+ATOM     34  CA  GLY    18     -17.381   8.530   0.604          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  644.34                                       ENERGY    -7.28635E+00
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -11.707   5.490  -3.797          0.013
+ATOM      2  CA  ALA     2      -9.090   4.234  -1.380          0.013
+ATOM      3  CB  ALA     2      -9.427   3.755  -0.779          0.126
+ATOM      4  CA  ALA     3      -5.433   3.997  -2.402          0.009
+ATOM      5  CB  ALA     3      -4.876   4.462  -2.307          0.012
+ATOM      6  CA  ALA     4      -4.401   2.805   1.024          0.020
+ATOM      7  CB  ALA     4      -4.503   3.362   1.483          0.062
+ATOM      8  CA  CYS     5      -6.656  -0.330   0.977          0.084
+ATOM      9  CB  CYS     5      -7.808  -0.517   0.547          0.072
+ATOM     10  CA  ALA     6      -4.521  -2.309  -1.372          0.009
+ATOM     11  CB  ALA     6      -3.833  -1.947  -1.249          0.010
+ATOM     12  CA  ALA     7      -4.299  -4.538   1.753          0.043
+ATOM     13  CB  ALA     7      -4.102  -4.154   2.302          0.024
+ATOM     14  CA  ALA     8      -7.373  -6.340   0.598          0.064
+ATOM     15  CB  ALA     8      -7.992  -6.171   0.327          0.045
+ATOM     16  CA  ALA     9      -6.550  -5.331  -3.004          0.063
+ATOM     17  CB  ALA     9      -5.860  -5.042  -3.236          0.073
+ATOM     18  CA  ALA    10      -3.557  -7.849  -2.847          0.031
+ATOM     19  CB  ALA    10      -3.076  -8.030  -2.186          0.151
+ATOM     20  CA  ALA    11      -5.816  -9.593  -5.314          0.011
+ATOM     21  CB  ALA    11      -5.561  -9.949  -5.945          0.041
+ATOM     22  CA  ALA    12      -8.856  -9.402  -3.127          0.004
+ATOM     23  CB  ALA    12      -9.109  -9.231  -2.555          0.042
+ATOM     24  CA  ALA    13     -11.458  -6.615  -2.767          0.008
+ATOM     25  CB  ALA    13     -12.286  -6.787  -2.800          0.080
+ATOM     26  CA  CYS    14     -11.746  -3.715  -0.357          0.033
+ATOM     27  CB  CYS    14     -10.608  -3.165  -0.442          0.061
+ATOM     28  CA  ALA    15     -14.320  -0.903  -0.564          0.005
+ATOM     29  CB  ALA    15     -15.008  -0.940  -0.743          0.043
+ATOM     30  CA  ALA    16     -14.076   2.442   1.278          0.020
+ATOM     31  CB  ALA    16     -13.481   2.668   1.654          0.012
+ATOM     32  CA  ALA    17     -16.882   4.872   0.542          0.029
+ATOM     33  CB  ALA    17     -17.494   4.528   0.632          0.249
+ATOM     34  CA  GLY    18     -18.135   8.371   0.369          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  649.34                                       ENERGY    -4.56198E+00
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -11.110   5.596  -4.756          0.029
+ATOM      2  CA  ALA     2      -9.236   4.627  -1.558          0.017
+ATOM      3  CB  ALA     2      -9.405   4.001  -1.379          0.005
+ATOM      4  CA  ALA     3      -5.666   3.656  -2.452          0.022
+ATOM      5  CB  ALA     3      -5.236   4.150  -2.830          0.013
+ATOM      6  CA  ALA     4      -4.994   2.739   1.203          0.025
+ATOM      7  CB  ALA     4      -5.302   3.105   1.832          0.090
+ATOM      8  CA  CYS     5      -6.838  -0.542   0.411          0.008
+ATOM      9  CB  CYS     5      -7.988  -0.489  -0.088          0.011
+ATOM     10  CA  ALA     6      -3.912  -2.212  -1.322          0.032
+ATOM     11  CB  ALA     6      -3.210  -2.171  -1.315          0.024
+ATOM     12  CA  ALA     7      -4.262  -3.883   2.053          0.027
+ATOM     13  CB  ALA     7      -4.544  -3.778   2.658          0.027
+ATOM     14  CA  ALA     8      -6.871  -6.233   0.607          0.038
+ATOM     15  CB  ALA     8      -7.493  -6.150   0.318          0.158
+ATOM     16  CA  ALA     9      -6.954  -4.783  -2.978          0.042
+ATOM     17  CB  ALA     9      -6.858  -4.086  -3.349          0.117
+ATOM     18  CA  ALA    10      -4.295  -7.497  -3.143          0.024
+ATOM     19  CB  ALA    10      -4.310  -7.462  -2.438          0.115
+ATOM     20  CA  ALA    11      -6.230 -10.000  -5.232          0.044
+ATOM     21  CB  ALA    11      -6.102 -10.807  -5.235          0.005
+ATOM     22  CA  ALA    12      -9.104  -9.914  -2.853          0.026
+ATOM     23  CB  ALA    12      -8.478 -10.217  -2.419          0.036
+ATOM     24  CA  ALA    13     -11.341  -6.888  -2.595          0.019
+ATOM     25  CB  ALA    13     -11.961  -6.944  -2.815          0.005
+ATOM     26  CA  CYS    14     -11.066  -3.404  -0.984          0.007
+ATOM     27  CB  CYS    14      -9.871  -3.029  -0.653          0.006
+ATOM     28  CA  ALA    15     -13.828  -0.747  -0.401          0.010
+ATOM     29  CB  ALA    15     -14.599  -0.979  -0.420          0.069
+ATOM     30  CA  ALA    16     -13.777   2.556   1.497          0.009
+ATOM     31  CB  ALA    16     -13.153   2.748   1.255          0.127
+ATOM     32  CA  ALA    17     -17.052   4.360   1.111          0.116
+ATOM     33  CB  ALA    17     -17.882   4.353   1.220          0.038
+ATOM     34  CA  GLY    18     -17.665   8.094   1.964          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  654.33                                       ENERGY    -2.12282E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -10.662   6.270  -5.425          0.043
+ATOM      2  CA  ALA     2      -9.180   4.690  -2.254          0.031
+ATOM      3  CB  ALA     2      -9.365   4.003  -1.908          0.075
+ATOM      4  CA  ALA     3      -5.661   3.491  -2.732          0.024
+ATOM      5  CB  ALA     3      -5.053   3.785  -3.095          0.035
+ATOM      6  CA  ALA     4      -5.515   3.311   1.088          0.025
+ATOM      7  CB  ALA     4      -5.800   3.756   1.581          0.077
+ATOM      8  CA  CYS     5      -7.149  -0.115   0.871          0.038
+ATOM      9  CB  CYS     5      -8.029  -0.302   0.060          0.029
+ATOM     10  CA  ALA     6      -4.056  -1.619  -0.783          0.009
+ATOM     11  CB  ALA     6      -3.704  -1.117  -1.235          0.194
+ATOM     12  CA  ALA     7      -3.743  -4.432   1.724          0.005
+ATOM     13  CB  ALA     7      -3.691  -3.853   2.207          0.083
+ATOM     14  CA  ALA     8      -7.010  -5.907   0.542          0.007
+ATOM     15  CB  ALA     8      -7.117  -5.316   1.063          0.261
+ATOM     16  CA  ALA     9      -6.098  -4.859  -3.034          0.055
+ATOM     17  CB  ALA     9      -6.007  -4.351  -3.472          0.278
+ATOM     18  CA  ALA    10      -4.066  -8.028  -3.820          0.007
+ATOM     19  CB  ALA    10      -3.957  -8.329  -3.126          0.092
+ATOM     20  CA  ALA    11      -6.944 -10.182  -5.130          0.014
+ATOM     21  CB  ALA    11      -6.885 -10.764  -5.606          0.162
+ATOM     22  CA  ALA    12      -9.011  -9.800  -2.065          0.029
+ATOM     23  CB  ALA    12      -8.735  -9.994  -1.425          0.019
+ATOM     24  CA  ALA    13     -11.573  -7.104  -2.795          0.019
+ATOM     25  CB  ALA    13     -11.954  -7.564  -3.195          0.006
+ATOM     26  CA  CYS    14     -11.617  -3.969  -0.737          0.005
+ATOM     27  CB  CYS    14     -10.608  -3.333  -0.824          0.012
+ATOM     28  CA  ALA    15     -13.666  -0.812  -0.587          0.004
+ATOM     29  CB  ALA    15     -14.311  -0.864  -0.292          0.165
+ATOM     30  CA  ALA    16     -13.875   2.562   1.052          0.030
+ATOM     31  CB  ALA    16     -13.429   3.126   1.053          0.038
+ATOM     32  CA  ALA    17     -17.000   4.665   1.270          0.083
+ATOM     33  CB  ALA    17     -17.316   4.069   1.557          0.093
+ATOM     34  CA  GLY    18     -16.882   6.894   4.347          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  659.33                                       ENERGY    -1.70742E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -10.426   6.617  -6.251          0.036
+ATOM      2  CA  ALA     2      -9.148   4.737  -3.162          0.042
+ATOM      3  CB  ALA     2      -9.743   4.459  -2.863          0.039
+ATOM      4  CA  ALA     3      -5.694   3.213  -2.691          0.104
+ATOM      5  CB  ALA     3      -5.233   3.790  -2.580          0.007
+ATOM      6  CA  ALA     4      -6.346   3.645   1.016          0.026
+ATOM      7  CB  ALA     4      -6.450   4.252   1.447          0.085
+ATOM      8  CA  CYS     5      -6.931  -0.114   1.589          0.027
+ATOM      9  CB  CYS     5      -7.780  -0.747   0.951          0.025
+ATOM     10  CA  ALA     6      -4.416  -0.803  -1.216          0.048
+ATOM     11  CB  ALA     6      -3.803  -0.463  -1.475          0.096
+ATOM     12  CA  ALA     7      -3.011  -3.921   0.480          0.052
+ATOM     13  CB  ALA     7      -2.950  -4.440   1.021          0.133
+ATOM     14  CA  ALA     8      -6.536  -5.318   0.634          0.011
+ATOM     15  CB  ALA     8      -7.153  -5.378   0.970          0.081
+ATOM     16  CA  ALA     9      -6.325  -5.564  -3.160          0.016
+ATOM     17  CB  ALA     9      -5.898  -4.841  -3.161          0.065
+ATOM     18  CA  ALA    10      -4.056  -8.557  -3.010          0.026
+ATOM     19  CB  ALA    10      -3.790  -9.241  -3.005          0.163
+ATOM     20  CA  ALA    11      -6.907 -10.015  -5.031          0.002
+ATOM     21  CB  ALA    11      -7.490 -10.302  -5.417          0.020
+ATOM     22  CA  ALA    12      -9.205 -10.084  -1.954          0.014
+ATOM     23  CB  ALA    12      -8.649  -9.651  -1.755          0.080
+ATOM     24  CA  ALA    13     -11.540  -7.058  -2.330          0.021
+ATOM     25  CB  ALA    13     -12.227  -7.217  -2.348          0.131
+ATOM     26  CA  CYS    14     -11.760  -3.489  -0.959          0.038
+ATOM     27  CB  CYS    14     -10.640  -2.962  -1.118          0.073
+ATOM     28  CA  ALA    15     -14.563  -0.833  -1.116          0.044
+ATOM     29  CB  ALA    15     -15.138  -1.158  -0.661          0.034
+ATOM     30  CA  ALA    16     -13.579   2.129   1.125          0.011
+ATOM     31  CB  ALA    16     -12.978   2.285   0.668          0.190
+ATOM     32  CA  ALA    17     -16.326   4.621   2.031          0.019
+ATOM     33  CB  ALA    17     -17.071   4.313   1.963          0.183
+ATOM     34  CA  GLY    18     -16.277   5.967   5.652          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  664.33                                       ENERGY    -1.88674E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -9.904   5.987  -7.170          0.009
+ATOM      2  CA  ALA     2      -9.328   5.379  -3.469          0.013
+ATOM      3  CB  ALA     2      -9.757   4.792  -3.414          0.037
+ATOM      4  CA  ALA     3      -6.331   3.182  -2.717          0.108
+ATOM      5  CB  ALA     3      -5.760   3.689  -2.731          0.063
+ATOM      6  CA  ALA     4      -6.991   3.432   1.066          0.047
+ATOM      7  CB  ALA     4      -7.709   3.526   1.386          0.046
+ATOM      8  CA  CYS     5      -6.752  -0.390   1.488          0.023
+ATOM      9  CB  CYS     5      -7.731  -1.071   1.104          0.014
+ATOM     10  CA  ALA     6      -4.305  -0.676  -1.422          0.015
+ATOM     11  CB  ALA     6      -4.182  -0.102  -1.937          0.061
+ATOM     12  CA  ALA     7      -2.598  -3.786  -0.031          0.043
+ATOM     13  CB  ALA     7      -2.275  -4.066   0.595          0.169
+ATOM     14  CA  ALA     8      -5.927  -5.607   0.507          0.008
+ATOM     15  CB  ALA     8      -6.685  -5.601   0.519          0.032
+ATOM     16  CA  ALA     9      -6.514  -5.620  -3.243          0.053
+ATOM     17  CB  ALA     9      -6.449  -4.904  -3.399          0.048
+ATOM     18  CA  ALA    10      -4.126  -8.612  -3.196          0.025
+ATOM     19  CB  ALA    10      -4.050  -8.309  -2.508          0.099
+ATOM     20  CA  ALA    11      -7.163 -10.408  -4.625          0.021
+ATOM     21  CB  ALA    11      -6.820 -10.862  -5.049          0.041
+ATOM     22  CA  ALA    12      -9.631  -9.447  -1.986          0.006
+ATOM     23  CB  ALA    12      -9.253  -9.027  -1.387          0.161
+ATOM     24  CA  ALA    13     -11.919  -6.441  -2.134          0.049
+ATOM     25  CB  ALA    13     -12.509  -6.674  -1.752          0.006
+ATOM     26  CA  CYS    14     -11.513  -3.010  -0.570          0.004
+ATOM     27  CB  CYS    14     -10.397  -2.382  -0.819          0.055
+ATOM     28  CA  ALA    15     -14.542  -0.911  -1.408          0.049
+ATOM     29  CB  ALA    15     -15.166  -1.180  -1.443          0.047
+ATOM     30  CA  ALA    16     -13.711   1.349   1.531          0.016
+ATOM     31  CB  ALA    16     -13.106   1.559   1.035          0.195
+ATOM     32  CA  ALA    17     -15.784   4.344   2.610          0.060
+ATOM     33  CB  ALA    17     -16.278   4.567   2.061          0.054
+ATOM     34  CA  GLY    18     -15.197   5.154   6.290          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  669.30                                       ENERGY    -1.42147E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -9.221   5.498  -7.454          0.006
+ATOM      2  CA  ALA     2      -9.604   5.368  -3.740          0.010
+ATOM      3  CB  ALA     2     -10.186   4.903  -3.526          0.057
+ATOM      4  CA  ALA     3      -6.940   2.887  -2.763          0.035
+ATOM      5  CB  ALA     3      -6.199   2.847  -3.037          0.208
+ATOM      6  CA  ALA     4      -7.780   2.980   0.930          0.029
+ATOM      7  CB  ALA     4      -8.442   2.971   0.810          0.035
+ATOM      8  CA  CYS     5      -6.748  -0.645   1.404          0.013
+ATOM      9  CB  CYS     5      -7.259  -1.369   0.522          0.029
+ATOM     10  CA  ALA     6      -4.427  -0.511  -1.570          0.021
+ATOM     11  CB  ALA     6      -3.829  -0.126  -1.745          0.094
+ATOM     12  CA  ALA     7      -2.826  -3.799  -0.409          0.006
+ATOM     13  CB  ALA     7      -2.219  -3.464  -0.015          0.068
+ATOM     14  CA  ALA     8      -6.224  -5.303   0.368          0.011
+ATOM     15  CB  ALA     8      -6.699  -5.406   0.955          0.017
+ATOM     16  CA  ALA     9      -6.521  -5.142  -3.425          0.038
+ATOM     17  CB  ALA     9      -6.402  -4.462  -3.859          0.047
+ATOM     18  CA  ALA    10      -4.004  -7.952  -3.802          0.009
+ATOM     19  CB  ALA    10      -4.021  -8.315  -3.158          0.070
+ATOM     20  CA  ALA    11      -6.999 -10.281  -3.954          0.056
+ATOM     21  CB  ALA    11      -7.216 -11.021  -3.680          0.239
+ATOM     22  CA  ALA    12      -9.614  -9.189  -1.477          0.019
+ATOM     23  CB  ALA    12      -9.109  -9.559  -1.055          0.017
+ATOM     24  CA  ALA    13     -11.639  -6.168  -2.450          0.002
+ATOM     25  CB  ALA    13     -12.367  -6.377  -2.490          0.179
+ATOM     26  CA  CYS    14     -11.714  -3.059  -0.270          0.044
+ATOM     27  CB  CYS    14     -10.586  -2.465  -0.450          0.014
+ATOM     28  CA  ALA    15     -14.143  -0.353  -1.385          0.070
+ATOM     29  CB  ALA    15     -14.602  -0.562  -1.877          0.072
+ATOM     30  CA  ALA    16     -14.371   0.959   2.140          0.058
+ATOM     31  CB  ALA    16     -13.857   0.741   2.572          0.048
+ATOM     32  CA  ALA    17     -14.867   4.603   2.761          0.018
+ATOM     33  CB  ALA    17     -15.633   4.620   2.658          0.123
+ATOM     34  CA  GLY    18     -14.178   4.804   6.521          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  674.26                                       ENERGY    -6.27469E+00
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -8.616   5.724  -7.540          0.009
+ATOM      2  CA  ALA     2     -10.361   4.885  -4.255          0.110
+ATOM      3  CB  ALA     2     -10.855   4.880  -3.709          0.065
+ATOM      4  CA  ALA     3      -7.919   2.110  -3.334          0.027
+ATOM      5  CB  ALA     3      -7.344   2.523  -3.612          0.056
+ATOM      6  CA  ALA     4      -7.818   2.658   0.481          0.005
+ATOM      7  CB  ALA     4      -8.298   3.250   0.657          0.064
+ATOM      8  CA  CYS     5      -6.868  -1.015   1.016          0.026
+ATOM      9  CB  CYS     5      -7.955  -1.352   0.651          0.021
+ATOM     10  CA  ALA     6      -4.157  -0.744  -1.565          0.028
+ATOM     11  CB  ALA     6      -3.741  -0.108  -1.468          0.004
+ATOM     12  CA  ALA     7      -2.568  -3.836  -0.119          0.012
+ATOM     13  CB  ALA     7      -2.488  -4.007   0.575          0.011
+ATOM     14  CA  ALA     8      -5.920  -5.675  -0.077          0.003
+ATOM     15  CB  ALA     8      -6.373  -5.341   0.453          0.052
+ATOM     16  CA  ALA     9      -6.768  -4.660  -3.657          0.021
+ATOM     17  CB  ALA     9      -6.780  -3.951  -3.946          0.057
+ATOM     18  CA  ALA    10      -4.561  -7.797  -3.824          0.010
+ATOM     19  CB  ALA    10      -3.861  -7.521  -3.927          0.049
+ATOM     20  CA  ALA    11      -7.382 -10.418  -3.633          0.030
+ATOM     21  CB  ALA    11      -7.094 -10.913  -3.980          0.025
+ATOM     22  CA  ALA    12      -8.778  -8.645  -0.564          0.076
+ATOM     23  CB  ALA    12      -9.190  -8.087  -0.232          0.111
+ATOM     24  CA  ALA    13     -10.692  -6.272  -2.752          0.028
+ATOM     25  CB  ALA    13     -11.280  -6.281  -3.208          0.034
+ATOM     26  CA  CYS    14     -12.120  -3.597  -0.486          0.044
+ATOM     27  CB  CYS    14     -10.975  -3.196  -0.570          0.000
+ATOM     28  CA  ALA    15     -13.454  -0.073  -1.035          0.018
+ATOM     29  CB  ALA    15     -13.775   0.425  -1.435          0.112
+ATOM     30  CA  ALA    16     -14.489   0.929   2.483          0.028
+ATOM     31  CB  ALA    16     -14.671   0.405   3.111          0.041
+ATOM     32  CA  ALA    17     -14.393   4.578   3.331          0.068
+ATOM     33  CB  ALA    17     -14.860   5.087   3.442          0.057
+ATOM     34  CA  GLY    18     -13.324   5.331   6.880          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  679.23                                       ENERGY    -1.14148E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -8.864   5.736  -7.368          0.016
+ATOM      2  CA  ALA     2     -10.966   4.722  -4.376          0.051
+ATOM      3  CB  ALA     2     -11.525   4.580  -4.828          0.047
+ATOM      4  CA  ALA     3      -8.922   1.731  -3.370          0.022
+ATOM      5  CB  ALA     3      -8.592   1.135  -3.700          0.125
+ATOM      6  CA  ALA     4      -7.588   3.063  -0.006          0.031
+ATOM      7  CB  ALA     4      -7.998   3.340   0.675          0.052
+ATOM      8  CA  CYS     5      -6.823  -0.571   0.816          0.010
+ATOM      9  CB  CYS     5      -7.793  -1.122   0.287          0.068
+ATOM     10  CA  ALA     6      -4.188  -1.065  -1.859          0.004
+ATOM     11  CB  ALA     6      -3.795  -0.624  -2.267          0.017
+ATOM     12  CA  ALA     7      -2.515  -3.841   0.145          0.013
+ATOM     13  CB  ALA     7      -1.954  -3.759   0.697          0.167
+ATOM     14  CA  ALA     8      -5.840  -5.718   0.426          0.008
+ATOM     15  CB  ALA     8      -6.327  -5.541   0.944          0.014
+ATOM     16  CA  ALA     9      -6.687  -4.544  -3.100          0.048
+ATOM     17  CB  ALA     9      -6.505  -3.864  -3.448          0.099
+ATOM     18  CA  ALA    10      -4.373  -7.349  -4.106          0.019
+ATOM     19  CB  ALA    10      -3.997  -7.487  -3.492          0.018
+ATOM     20  CA  ALA    11      -7.067  -9.878  -3.806          0.031
+ATOM     21  CB  ALA    11      -7.299 -10.580  -3.437          0.008
+ATOM     22  CA  ALA    12      -9.554  -8.738  -1.103          0.062
+ATOM     23  CB  ALA    12      -8.997  -8.592  -0.693          0.141
+ATOM     24  CA  ALA    13     -11.295  -6.135  -3.264          0.024
+ATOM     25  CB  ALA    13     -11.168  -6.563  -3.863          0.030
+ATOM     26  CA  CYS    14     -11.847  -3.644  -0.382          0.010
+ATOM     27  CB  CYS    14     -10.665  -3.451  -0.479          0.043
+ATOM     28  CA  ALA    15     -13.272  -0.180  -0.638          0.009
+ATOM     29  CB  ALA    15     -13.463   0.004  -1.304          0.158
+ATOM     30  CA  ALA    16     -14.875   1.353   2.470          0.034
+ATOM     31  CB  ALA    16     -14.582   0.731   2.823          0.052
+ATOM     32  CA  ALA    17     -13.781   4.457   4.373          0.047
+ATOM     33  CB  ALA    17     -13.989   4.830   3.702          0.057
+ATOM     34  CA  GLY    18     -12.564   6.036   7.629          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  684.23                                       ENERGY    -1.48043E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -9.303   6.089  -7.536          0.012
+ATOM      2  CA  ALA     2     -11.377   4.349  -4.829          0.053
+ATOM      3  CB  ALA     2     -12.020   4.208  -5.238          0.053
+ATOM      4  CA  ALA     3      -9.980   1.288  -3.112          0.024
+ATOM      5  CB  ALA     3      -9.589   0.675  -3.138          0.003
+ATOM      6  CA  ALA     4      -7.561   3.130  -0.861          0.078
+ATOM      7  CB  ALA     4      -7.545   3.757  -0.537          0.074
+ATOM      8  CA  CYS     5      -6.568  -0.114   0.885          0.023
+ATOM      9  CB  CYS     5      -7.424  -1.080   0.905          0.062
+ATOM     10  CA  ALA     6      -4.368  -1.134  -2.053          0.016
+ATOM     11  CB  ALA     6      -4.138  -0.602  -2.492          0.004
+ATOM     12  CA  ALA     7      -2.578  -3.577   0.230          0.028
+ATOM     13  CB  ALA     7      -2.216  -3.427   0.817          0.035
+ATOM     14  CA  ALA     8      -5.859  -5.437   0.558          0.011
+ATOM     15  CB  ALA     8      -6.656  -5.454   0.744          0.011
+ATOM     16  CA  ALA     9      -6.424  -4.973  -3.123          0.026
+ATOM     17  CB  ALA     9      -6.511  -4.256  -3.334          0.135
+ATOM     18  CA  ALA    10      -3.894  -7.743  -3.300          0.007
+ATOM     19  CB  ALA    10      -3.386  -7.657  -2.766          0.035
+ATOM     20  CA  ALA    11      -6.767 -10.120  -4.356          0.023
+ATOM     21  CB  ALA    11      -6.535 -10.626  -4.862          0.155
+ATOM     22  CA  ALA    12      -9.531  -8.950  -1.990          0.004
+ATOM     23  CB  ALA    12     -10.003  -8.830  -1.397          0.150
+ATOM     24  CA  ALA    13     -11.708  -6.018  -3.089          0.082
+ATOM     25  CB  ALA    13     -12.404  -5.931  -3.235          0.066
+ATOM     26  CA  CYS    14     -11.382  -3.653  -0.074          0.036
+ATOM     27  CB  CYS    14     -10.496  -2.933  -0.172          0.036
+ATOM     28  CA  ALA    15     -13.423  -0.493  -0.506          0.004
+ATOM     29  CB  ALA    15     -13.951  -0.109  -0.839          0.088
+ATOM     30  CA  ALA    16     -14.324   1.510   2.577          0.045
+ATOM     31  CB  ALA    16     -14.142   1.267   3.189          0.099
+ATOM     32  CA  ALA    17     -13.085   4.705   4.303          0.010
+ATOM     33  CB  ALA    17     -13.143   5.384   4.183          0.089
+ATOM     34  CA  GLY    18     -12.329   5.212   7.985          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  689.18                                       ENERGY    -1.74913E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -9.824   5.803  -7.702          0.021
+ATOM      2  CA  ALA     2     -11.864   4.309  -4.926          0.027
+ATOM      3  CB  ALA     2     -12.571   4.097  -4.871          0.076
+ATOM      4  CA  ALA     3      -9.899   1.241  -3.750          0.014
+ATOM      5  CB  ALA     3      -9.633   0.589  -3.715          0.080
+ATOM      6  CA  ALA     4      -7.789   3.324  -1.326          0.027
+ATOM      7  CB  ALA     4      -8.056   3.818  -0.878          0.124
+ATOM      8  CA  CYS     5      -6.802   0.380   0.763          0.004
+ATOM      9  CB  CYS     5      -7.969   0.000   0.779          0.091
+ATOM     10  CA  ALA     6      -4.668  -1.131  -1.942          0.014
+ATOM     11  CB  ALA     6      -4.059  -0.779  -2.229          0.051
+ATOM     12  CA  ALA     7      -2.807  -3.262   0.551          0.009
+ATOM     13  CB  ALA     7      -2.652  -3.261   1.306          0.119
+ATOM     14  CA  ALA     8      -6.004  -5.390   0.764          0.024
+ATOM     15  CB  ALA     8      -6.668  -5.672   0.846          0.028
+ATOM     16  CA  ALA     9      -6.511  -5.440  -2.967          0.072
+ATOM     17  CB  ALA     9      -6.335  -4.923  -3.469          0.046
+ATOM     18  CA  ALA    10      -4.032  -8.280  -3.218          0.023
+ATOM     19  CB  ALA    10      -4.099  -8.331  -2.451          0.087
+ATOM     20  CA  ALA    11      -6.475 -10.342  -5.340          0.009
+ATOM     21  CB  ALA    11      -6.561 -11.028  -5.402          0.064
+ATOM     22  CA  ALA    12      -9.387  -9.009  -3.263          0.021
+ATOM     23  CB  ALA    12      -8.726  -9.126  -2.936          0.315
+ATOM     24  CA  ALA    13     -11.362  -5.990  -2.112          0.035
+ATOM     25  CB  ALA    13     -11.770  -6.611  -1.896          0.144
+ATOM     26  CA  CYS    14     -11.409  -3.130   0.323          0.011
+ATOM     27  CB  CYS    14     -10.372  -2.561   0.121          0.095
+ATOM     28  CA  ALA    15     -13.883  -0.291   0.067          0.078
+ATOM     29  CB  ALA    15     -14.418  -0.502  -0.333          0.018
+ATOM     30  CA  ALA    16     -13.478   1.858   3.164          0.033
+ATOM     31  CB  ALA    16     -13.473   1.226   3.512          0.038
+ATOM     32  CA  ALA    17     -12.100   5.291   4.235          0.021
+ATOM     33  CB  ALA    17     -12.702   5.563   4.054          0.082
+ATOM     34  CA  GLY    18     -11.947   4.060   7.810          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  694.11                                       ENERGY    -1.64568E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -10.602   4.917  -7.905          0.058
+ATOM      2  CA  ALA     2     -12.330   4.063  -4.586          0.021
+ATOM      3  CB  ALA     2     -12.920   3.789  -4.926          0.099
+ATOM      4  CA  ALA     3      -9.549   1.563  -3.935          0.105
+ATOM      5  CB  ALA     3      -8.939   1.339  -4.254          0.037
+ATOM      6  CA  ALA     4      -7.745   3.970  -1.596          0.024
+ATOM      7  CB  ALA     4      -8.370   4.414  -1.527          0.055
+ATOM      8  CA  CYS     5      -7.000   1.054   0.846          0.025
+ATOM      9  CB  CYS     5      -7.947   0.342   0.521          0.035
+ATOM     10  CA  ALA     6      -4.879  -0.914  -1.677          0.020
+ATOM     11  CB  ALA     6      -4.182  -0.937  -2.118          0.034
+ATOM     12  CA  ALA     7      -3.691  -3.280   0.987          0.017
+ATOM     13  CB  ALA     7      -3.663  -2.793   1.572          0.059
+ATOM     14  CA  ALA     8      -6.389  -5.863   0.340          0.017
+ATOM     15  CB  ALA     8      -6.771  -5.344   0.705          0.029
+ATOM     16  CA  ALA     9      -5.711  -5.548  -3.338          0.014
+ATOM     17  CB  ALA     9      -5.685  -4.893  -3.014          0.031
+ATOM     18  CA  ALA    10      -3.822  -8.881  -3.502          0.009
+ATOM     19  CB  ALA    10      -3.555  -9.464  -3.238          0.090
+ATOM     20  CA  ALA    11      -6.902  -9.494  -5.551          0.126
+ATOM     21  CB  ALA    11      -6.883 -10.087  -6.027          0.194
+ATOM     22  CA  ALA    12      -9.098  -9.508  -2.406          0.010
+ATOM     23  CB  ALA    12      -9.082  -9.466  -1.685          0.070
+ATOM     24  CA  ALA    13     -11.203  -6.333  -2.093          0.016
+ATOM     25  CB  ALA    13     -11.944  -6.379  -2.197          0.068
+ATOM     26  CA  CYS    14     -11.504  -3.309   0.187          0.024
+ATOM     27  CB  CYS    14     -10.700  -2.402  -0.223          0.054
+ATOM     28  CA  ALA    15     -14.112  -0.634   0.426          0.047
+ATOM     29  CB  ALA    15     -14.833  -0.787   0.615          0.033
+ATOM     30  CA  ALA    16     -12.998   1.266   3.502          0.043
+ATOM     31  CB  ALA    16     -12.418   1.243   3.907          0.140
+ATOM     32  CA  ALA    17     -11.832   4.917   4.039          0.034
+ATOM     33  CB  ALA    17     -11.686   5.582   4.343          0.006
+ATOM     34  CA  GLY    18     -10.930   4.498   7.777          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  699.11                                       ENERGY    -1.26705E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -11.899   4.653  -8.350          0.026
+ATOM      2  CA  ALA     2     -12.457   3.543  -4.849          0.010
+ATOM      3  CB  ALA     2     -12.999   3.070  -4.662          0.111
+ATOM      4  CA  ALA     3      -9.127   1.802  -4.253          0.006
+ATOM      5  CB  ALA     3      -8.604   1.572  -4.746          0.030
+ATOM      6  CA  ALA     4      -7.548   4.009  -1.620          0.017
+ATOM      7  CB  ALA     4      -7.377   4.590  -1.158          0.152
+ATOM      8  CA  CYS     5      -7.510   1.060   0.767          0.006
+ATOM      9  CB  CYS     5      -8.504   0.394   0.392          0.042
+ATOM     10  CA  ALA     6      -4.820  -0.657  -1.271          0.042
+ATOM     11  CB  ALA     6      -4.550  -0.372  -1.896          0.106
+ATOM     12  CA  ALA     7      -3.877  -3.184   1.398          0.017
+ATOM     13  CB  ALA     7      -3.928  -2.944   2.114          0.051
+ATOM     14  CA  ALA     8      -6.487  -5.375  -0.046          0.021
+ATOM     15  CB  ALA     8      -7.039  -5.678  -0.447          0.190
+ATOM     16  CA  ALA     9      -5.229  -4.838  -3.604          0.013
+ATOM     17  CB  ALA     9      -4.880  -4.342  -4.023          0.083
+ATOM     18  CA  ALA    10      -3.981  -8.411  -3.641          0.008
+ATOM     19  CB  ALA    10      -3.980  -8.943  -3.077          0.202
+ATOM     20  CA  ALA    11      -7.183  -9.773  -4.894          0.017
+ATOM     21  CB  ALA    11      -7.622 -10.108  -5.371          0.053
+ATOM     22  CA  ALA    12      -9.550  -9.366  -1.905          0.025
+ATOM     23  CB  ALA    12      -8.886  -9.315  -1.530          0.014
+ATOM     24  CA  ALA    13     -11.564  -6.130  -2.347          0.018
+ATOM     25  CB  ALA    13     -12.238  -6.203  -2.621          0.019
+ATOM     26  CA  CYS    14     -11.465  -3.373   0.329          0.045
+ATOM     27  CB  CYS    14     -11.060  -2.213  -0.098          0.012
+ATOM     28  CA  ALA    15     -14.035  -0.859   1.339          0.032
+ATOM     29  CB  ALA    15     -14.741  -1.018   1.507          0.089
+ATOM     30  CA  ALA    16     -11.616   0.749   3.777          0.048
+ATOM     31  CB  ALA    16     -11.269   0.073   3.609          0.164
+ATOM     32  CA  ALA    17     -11.342   4.502   3.835          0.058
+ATOM     33  CB  ALA    17     -11.787   4.771   3.342          0.069
+ATOM     34  CA  GLY    18     -10.102   4.439   7.444          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  704.11                                       ENERGY    -1.32853E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -13.627   4.107  -8.337          0.041
+ATOM      2  CA  ALA     2     -12.116   3.103  -4.916          0.042
+ATOM      3  CB  ALA     2     -12.225   2.954  -4.154          0.047
+ATOM      4  CA  ALA     3      -8.466   2.074  -4.483          0.014
+ATOM      5  CB  ALA     3      -7.894   1.752  -4.849          0.051
+ATOM      6  CA  ALA     4      -8.113   4.055  -1.289          0.012
+ATOM      7  CB  ALA     4      -8.715   4.479  -1.123          0.102
+ATOM      8  CA  CYS     5      -7.455   0.816   0.551          0.001
+ATOM      9  CB  CYS     5      -8.256   0.131  -0.142          0.014
+ATOM     10  CA  ALA     6      -4.585  -0.484  -1.507          0.069
+ATOM     11  CB  ALA     6      -4.116   0.001  -1.836          0.043
+ATOM     12  CA  ALA     7      -3.857  -3.040   1.173          0.046
+ATOM     13  CB  ALA     7      -4.199  -2.847   1.842          0.055
+ATOM     14  CA  ALA     8      -6.887  -5.002  -0.013          0.017
+ATOM     15  CB  ALA     8      -7.172  -4.383   0.328          0.048
+ATOM     16  CA  ALA     9      -5.240  -4.559  -3.470          0.020
+ATOM     17  CB  ALA     9      -4.464  -4.431  -3.397          0.058
+ATOM     18  CA  ALA    10      -4.353  -8.137  -3.793          0.035
+ATOM     19  CB  ALA    10      -3.941  -8.545  -3.313          0.146
+ATOM     20  CA  ALA    11      -7.433 -10.083  -5.041          0.009
+ATOM     21  CB  ALA    11      -7.260 -10.786  -5.282          0.017
+ATOM     22  CA  ALA    12      -9.702  -8.831  -2.284          0.043
+ATOM     23  CB  ALA    12      -9.362  -8.688  -1.658          0.122
+ATOM     24  CA  ALA    13     -12.266  -6.110  -2.144          0.001
+ATOM     25  CB  ALA    13     -12.721  -6.676  -2.050          0.087
+ATOM     26  CA  CYS    14     -11.639  -3.056  -0.003          0.013
+ATOM     27  CB  CYS    14     -11.096  -2.127  -0.603          0.021
+ATOM     28  CA  ALA    15     -13.823  -0.885   2.201          0.051
+ATOM     29  CB  ALA    15     -14.529  -0.876   2.414          0.056
+ATOM     30  CA  ALA    16     -10.991   0.044   4.645          0.011
+ATOM     31  CB  ALA    16     -10.295   0.058   4.477          0.089
+ATOM     32  CA  ALA    17     -11.019   3.534   3.250          0.033
+ATOM     33  CB  ALA    17     -11.683   3.880   3.286          0.066
+ATOM     34  CA  GLY    18      -9.582   5.008   6.448          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  709.11                                       ENERGY    -7.91087E+00
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -14.827   2.450  -7.506          0.079
+ATOM      2  CA  ALA     2     -11.822   3.044  -5.247          0.026
+ATOM      3  CB  ALA     2     -12.053   3.167  -4.547          0.054
+ATOM      4  CA  ALA     3      -8.095   2.406  -4.683          0.025
+ATOM      5  CB  ALA     3      -7.717   2.788  -5.224          0.010
+ATOM      6  CA  ALA     4      -8.062   3.931  -1.227          0.013
+ATOM      7  CB  ALA     4      -8.849   4.044  -1.258          0.042
+ATOM      8  CA  CYS     5      -7.478   0.472   0.374          0.039
+ATOM      9  CB  CYS     5      -8.349  -0.335   0.003          0.037
+ATOM     10  CA  ALA     6      -4.189   0.052  -1.463          0.036
+ATOM     11  CB  ALA     6      -3.953   0.673  -1.371          0.035
+ATOM     12  CA  ALA     7      -3.182  -2.686   1.015          0.047
+ATOM     13  CB  ALA     7      -2.956  -2.411   1.704          0.100
+ATOM     14  CA  ALA     8      -6.438  -4.551   0.200          0.003
+ATOM     15  CB  ALA     8      -7.047  -4.833   0.050          0.119
+ATOM     16  CA  ALA     9      -5.999  -4.893  -3.513          0.028
+ATOM     17  CB  ALA     9      -6.125  -4.288  -3.796          0.045
+ATOM     18  CA  ALA    10      -4.431  -8.339  -3.239          0.002
+ATOM     19  CB  ALA    10      -4.262  -8.957  -2.856          0.259
+ATOM     20  CA  ALA    11      -7.175  -9.640  -5.359          0.010
+ATOM     21  CB  ALA    11      -7.418 -10.271  -5.288          0.080
+ATOM     22  CA  ALA    12      -9.934  -8.616  -2.967          0.015
+ATOM     23  CB  ALA    12      -9.537  -8.529  -2.270          0.028
+ATOM     24  CA  ALA    13     -12.626  -5.989  -2.060          0.001
+ATOM     25  CB  ALA    13     -13.395  -6.062  -1.920          0.047
+ATOM     26  CA  CYS    14     -11.869  -3.146   0.352          0.020
+ATOM     27  CB  CYS    14     -11.268  -2.331  -0.385          0.048
+ATOM     28  CA  ALA    15     -13.879  -1.019   2.905          0.018
+ATOM     29  CB  ALA    15     -14.047  -1.614   3.211          0.111
+ATOM     30  CA  ALA    16     -10.620   0.110   4.491          0.008
+ATOM     31  CB  ALA    16     -10.144  -0.448   4.281          0.060
+ATOM     32  CA  ALA    17     -10.818   3.626   3.081          0.019
+ATOM     33  CB  ALA    17     -11.616   3.720   3.140          0.038
+ATOM     34  CA  GLY    18      -9.123   5.317   5.933          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  714.11                                       ENERGY    -1.88627E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -14.229   0.737  -7.104          0.068
+ATOM      2  CA  ALA     2     -12.158   2.825  -4.729          0.022
+ATOM      3  CB  ALA     2     -12.091   2.751  -4.026          0.112
+ATOM      4  CA  ALA     3      -8.339   2.565  -4.760          0.006
+ATOM      5  CB  ALA     3      -7.931   2.859  -5.272          0.002
+ATOM      6  CA  ALA     4      -7.907   3.898  -1.202          0.049
+ATOM      7  CB  ALA     4      -8.271   4.099  -0.571          0.084
+ATOM      8  CA  CYS     5      -7.463   0.265   0.031          0.063
+ATOM      9  CB  CYS     5      -8.188  -0.579  -0.488          0.083
+ATOM     10  CA  ALA     6      -4.541  -0.345  -2.348          0.063
+ATOM     11  CB  ALA     6      -3.774  -0.213  -2.459          0.108
+ATOM     12  CA  ALA     7      -2.818  -2.572   0.323          0.035
+ATOM     13  CB  ALA     7      -2.236  -2.755   0.798          0.038
+ATOM     14  CA  ALA     8      -6.259  -4.187   0.794          0.063
+ATOM     15  CB  ALA     8      -6.936  -4.267   1.118          0.204
+ATOM     16  CA  ALA     9      -6.524  -4.449  -3.117          0.153
+ATOM     17  CB  ALA     9      -5.942  -4.174  -3.458          0.026
+ATOM     18  CA  ALA    10      -4.934  -7.918  -3.151          0.090
+ATOM     19  CB  ALA    10      -4.722  -7.846  -2.469          0.049
+ATOM     20  CA  ALA    11      -7.450  -9.300  -5.577          0.039
+ATOM     21  CB  ALA    11      -7.325  -9.703  -6.180          0.035
+ATOM     22  CA  ALA    12     -10.322  -8.661  -3.160          0.044
+ATOM     23  CB  ALA    12      -9.949  -8.773  -2.552          0.016
+ATOM     24  CA  ALA    13     -12.401  -5.648  -2.323          0.001
+ATOM     25  CB  ALA    13     -12.979  -5.593  -2.653          0.058
+ATOM     26  CA  CYS    14     -11.818  -3.488   0.801          0.023
+ATOM     27  CB  CYS    14     -11.085  -2.506   0.559          0.098
+ATOM     28  CA  ALA    15     -13.716  -1.278   3.258          0.021
+ATOM     29  CB  ALA    15     -14.251  -1.308   3.703          0.029
+ATOM     30  CA  ALA    16     -10.353   0.193   4.446          0.012
+ATOM     31  CB  ALA    16      -9.737  -0.128   4.202          0.083
+ATOM     32  CA  ALA    17     -11.553   3.597   3.350          0.001
+ATOM     33  CB  ALA    17     -11.997   4.092   3.042          0.044
+ATOM     34  CA  GLY    18      -8.717   5.215   5.310          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  719.11                                       ENERGY    -1.20369E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -13.287   0.205  -6.638          0.076
+ATOM      2  CA  ALA     2     -11.965   1.746  -3.396          0.031
+ATOM      3  CB  ALA     2     -11.978   1.283  -2.771          0.264
+ATOM      4  CA  ALA     3      -8.570   2.557  -4.865          0.013
+ATOM      5  CB  ALA     3      -8.518   3.022  -5.431          0.020
+ATOM      6  CA  ALA     4      -7.332   3.707  -1.478          0.018
+ATOM      7  CB  ALA     4      -7.844   3.947  -1.133          0.069
+ATOM      8  CA  CYS     5      -7.108   0.167  -0.101          0.038
+ATOM      9  CB  CYS     5      -8.134  -0.470  -0.370          0.044
+ATOM     10  CA  ALA     6      -4.679  -0.640  -2.975          0.060
+ATOM     11  CB  ALA     6      -4.307  -0.186  -3.436          0.087
+ATOM     12  CA  ALA     7      -2.916  -2.564  -0.189          0.037
+ATOM     13  CB  ALA     7      -3.192  -2.026   0.097          0.044
+ATOM     14  CA  ALA     8      -6.193  -4.254   0.849          0.023
+ATOM     15  CB  ALA     8      -6.213  -3.988   1.481          0.037
+ATOM     16  CA  ALA     9      -7.288  -4.551  -2.891          0.046
+ATOM     17  CB  ALA     9      -7.801  -4.051  -3.130          0.140
+ATOM     18  CA  ALA    10      -4.985  -7.540  -3.191          0.039
+ATOM     19  CB  ALA    10      -5.098  -8.263  -2.998          0.006
+ATOM     20  CA  ALA    11      -7.414  -8.455  -5.798          0.053
+ATOM     21  CB  ALA    11      -7.646  -8.980  -6.160          0.094
+ATOM     22  CA  ALA    12     -10.251  -8.525  -3.255          0.014
+ATOM     23  CB  ALA    12     -10.484  -8.971  -2.722          0.028
+ATOM     24  CA  ALA    13     -11.869  -5.211  -2.352          0.073
+ATOM     25  CB  ALA    13     -12.455  -5.368  -2.650          0.002
+ATOM     26  CA  CYS    14     -11.612  -3.580   1.116          0.020
+ATOM     27  CB  CYS    14     -10.575  -2.913   0.823          0.033
+ATOM     28  CA  ALA    15     -13.672  -1.137   3.113          0.010
+ATOM     29  CB  ALA    15     -14.193  -1.384   3.506          0.068
+ATOM     30  CA  ALA    16     -10.627   0.445   4.795          0.021
+ATOM     31  CB  ALA    16      -9.904   0.267   4.614          0.040
+ATOM     32  CA  ALA    17     -11.248   3.700   3.027          0.001
+ATOM     33  CB  ALA    17     -11.923   3.634   3.367          0.045
+ATOM     34  CA  GLY    18      -8.902   5.875   4.946          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  724.11                                       ENERGY    -1.50470E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -13.841   0.091  -5.711          0.033
+ATOM      2  CA  ALA     2     -11.374   0.387  -2.772          0.026
+ATOM      3  CB  ALA     2     -11.633  -0.135  -2.413          0.086
+ATOM      4  CA  ALA     3      -8.657   2.321  -4.691          0.004
+ATOM      5  CB  ALA     3      -8.650   2.467  -5.439          0.063
+ATOM      6  CA  ALA     4      -7.519   4.424  -1.703          0.054
+ATOM      7  CB  ALA     4      -7.805   5.120  -1.453          0.019
+ATOM      8  CA  CYS     5      -7.108   1.189   0.292          0.067
+ATOM      9  CB  CYS     5      -7.792   0.174   0.151          0.023
+ATOM     10  CA  ALA     6      -5.417  -0.549  -2.677          0.081
+ATOM     11  CB  ALA     6      -5.326  -0.499  -3.414          0.137
+ATOM     12  CA  ALA     7      -2.945  -2.799  -0.795          0.075
+ATOM     13  CB  ALA     7      -2.224  -2.453  -0.699          0.013
+ATOM     14  CA  ALA     8      -5.778  -4.659   0.775          0.044
+ATOM     15  CB  ALA     8      -6.348  -4.721   1.201          0.034
+ATOM     16  CA  ALA     9      -7.439  -4.775  -2.627          0.037
+ATOM     17  CB  ALA     9      -6.951  -4.630  -3.143          0.003
+ATOM     18  CA  ALA    10      -5.165  -7.539  -3.914          0.041
+ATOM     19  CB  ALA    10      -4.821  -7.554  -3.279          0.146
+ATOM     20  CA  ALA    11      -8.013  -8.433  -6.263          0.028
+ATOM     21  CB  ALA    11      -7.996  -8.992  -6.819          0.073
+ATOM     22  CA  ALA    12     -10.550  -8.636  -3.425          0.053
+ATOM     23  CB  ALA    12      -9.940  -8.652  -3.013          0.001
+ATOM     24  CA  ALA    13     -12.221  -5.522  -1.928          0.017
+ATOM     25  CB  ALA    13     -12.843  -5.163  -1.804          0.191
+ATOM     26  CA  CYS    14     -11.203  -3.757   1.267          0.013
+ATOM     27  CB  CYS    14     -10.431  -2.707   1.125          0.009
+ATOM     28  CA  ALA    15     -13.490  -1.109   2.764          0.017
+ATOM     29  CB  ALA    15     -13.909  -1.376   3.326          0.105
+ATOM     30  CA  ALA    16     -10.671   0.537   4.772          0.042
+ATOM     31  CB  ALA    16     -10.156   0.031   4.716          0.102
+ATOM     32  CA  ALA    17     -10.927   3.840   2.918          0.010
+ATOM     33  CB  ALA    17     -11.569   4.157   2.869          0.011
+ATOM     34  CA  GLY    18      -9.344   6.776   4.728          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  729.07                                       ENERGY    -1.35911E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -14.210   0.177  -5.285          0.002
+ATOM      2  CA  ALA     2     -11.602   0.109  -2.480          0.009
+ATOM      3  CB  ALA     2     -10.902  -0.213  -2.210          0.087
+ATOM      4  CA  ALA     3      -8.638   1.511  -4.412          0.015
+ATOM      5  CB  ALA     3      -9.081   1.646  -5.066          0.039
+ATOM      6  CA  ALA     4      -8.043   3.983  -1.637          0.044
+ATOM      7  CB  ALA     4      -8.594   4.282  -1.152          0.061
+ATOM      8  CA  CYS     5      -6.511   1.235   0.436          0.049
+ATOM      9  CB  CYS     5      -7.490   0.698   0.828          0.013
+ATOM     10  CA  ALA     6      -4.997  -0.190  -2.775          0.070
+ATOM     11  CB  ALA     6      -4.922  -0.027  -3.489          0.129
+ATOM     12  CA  ALA     7      -2.798  -2.460  -0.713          0.007
+ATOM     13  CB  ALA     7      -2.417  -2.502  -0.090          0.053
+ATOM     14  CA  ALA     8      -5.799  -4.715   0.020          0.012
+ATOM     15  CB  ALA     8      -5.843  -4.918   0.719          0.052
+ATOM     16  CA  ALA     9      -7.324  -4.387  -3.574          0.030
+ATOM     17  CB  ALA     9      -7.648  -3.799  -3.593          0.142
+ATOM     18  CA  ALA    10      -5.308  -7.314  -4.837          0.065
+ATOM     19  CB  ALA    10      -5.061  -8.006  -4.506          0.161
+ATOM     20  CA  ALA    11      -8.465  -8.867  -6.263          0.032
+ATOM     21  CB  ALA    11      -8.525  -9.307  -6.880          0.074
+ATOM     22  CA  ALA    12     -10.461  -8.536  -3.018          0.054
+ATOM     23  CB  ALA    12     -10.170  -8.923  -2.429          0.010
+ATOM     24  CA  ALA    13     -12.656  -5.724  -1.472          0.063
+ATOM     25  CB  ALA    13     -12.964  -6.366  -1.347          0.054
+ATOM     26  CA  CYS    14     -10.976  -3.385   1.009          0.007
+ATOM     27  CB  CYS    14      -9.809  -2.905   0.746          0.048
+ATOM     28  CA  ALA    15     -13.165  -1.010   2.999          0.015
+ATOM     29  CB  ALA    15     -13.838  -0.787   3.009          0.084
+ATOM     30  CA  ALA    16     -10.707   0.814   5.177          0.020
+ATOM     31  CB  ALA    16      -9.985   0.638   5.215          0.044
+ATOM     32  CA  ALA    17     -10.881   4.013   3.129          0.019
+ATOM     33  CB  ALA    17     -11.234   3.917   2.430          0.078
+ATOM     34  CA  GLY    18      -9.886   7.508   4.317          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  734.07                                       ENERGY    -2.86181E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -14.379   0.348  -5.763          0.019
+ATOM      2  CA  ALA     2     -12.150   0.273  -2.692          0.012
+ATOM      3  CB  ALA     2     -12.003  -0.347  -2.326          0.432
+ATOM      4  CA  ALA     3      -9.114   1.598  -4.543          0.007
+ATOM      5  CB  ALA     3      -9.170   1.906  -5.233          0.150
+ATOM      6  CA  ALA     4      -8.231   3.734  -1.508          0.024
+ATOM      7  CB  ALA     4      -8.360   4.193  -0.892          0.160
+ATOM      8  CA  CYS     5      -6.696   0.718   0.208          0.004
+ATOM      9  CB  CYS     5      -7.418  -0.099   0.816          0.045
+ATOM     10  CA  ALA     6      -4.606  -0.306  -2.791          0.036
+ATOM     11  CB  ALA     6      -4.237   0.231  -3.178          0.129
+ATOM     12  CA  ALA     7      -2.744  -2.838  -0.545          0.024
+ATOM     13  CB  ALA     7      -2.754  -2.328  -0.102          0.119
+ATOM     14  CA  ALA     8      -5.579  -5.337  -0.608          0.049
+ATOM     15  CB  ALA     8      -6.091  -5.449  -0.168          0.065
+ATOM     16  CA  ALA     9      -7.183  -3.945  -3.772          0.095
+ATOM     17  CB  ALA     9      -7.322  -3.299  -4.096          0.110
+ATOM     18  CA  ALA    10      -5.988  -7.012  -5.682          0.083
+ATOM     19  CB  ALA    10      -5.249  -7.211  -5.419          0.013
+ATOM     20  CA  ALA    11      -9.254  -8.773  -6.125          0.030
+ATOM     21  CB  ALA    11      -9.654  -9.283  -6.464          0.058
+ATOM     22  CA  ALA    12      -9.902  -8.895  -2.392          0.169
+ATOM     23  CB  ALA    12      -9.498  -9.184  -1.902          0.085
+ATOM     24  CA  ALA    13     -11.530  -5.788  -0.988          0.052
+ATOM     25  CB  ALA    13     -12.090  -5.837  -0.560          0.074
+ATOM     26  CA  CYS    14     -10.581  -3.423   1.924          0.042
+ATOM     27  CB  CYS    14      -9.818  -2.738   1.175          0.009
+ATOM     28  CA  ALA    15     -13.034  -0.712   2.807          0.059
+ATOM     29  CB  ALA    15     -13.681  -1.155   2.983          0.082
+ATOM     30  CA  ALA    16     -10.467   1.035   5.049          0.027
+ATOM     31  CB  ALA    16      -9.845   0.802   5.384          0.147
+ATOM     32  CA  ALA    17     -10.596   4.309   3.071          0.028
+ATOM     33  CB  ALA    17     -10.994   3.805   2.762          0.069
+ATOM     34  CA  GLY    18     -10.830   7.960   4.176          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  739.07                                       ENERGY    -1.18105E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -14.090   0.406  -6.415          0.010
+ATOM      2  CA  ALA     2     -12.727   0.884  -2.897          0.021
+ATOM      3  CB  ALA     2     -12.803   0.349  -2.453          0.182
+ATOM      4  CA  ALA     3      -9.228   1.417  -4.296          0.042
+ATOM      5  CB  ALA     3      -9.049   1.585  -4.971          0.126
+ATOM      6  CA  ALA     4      -8.280   3.619  -1.386          0.019
+ATOM      7  CB  ALA     4      -8.632   4.129  -1.047          0.049
+ATOM      8  CA  CYS     5      -6.729   0.498   0.350          0.014
+ATOM      9  CB  CYS     5      -7.817  -0.090   0.074          0.032
+ATOM     10  CA  ALA     6      -4.917  -0.756  -2.763          0.031
+ATOM     11  CB  ALA     6      -4.614  -0.289  -3.102          0.009
+ATOM     12  CA  ALA     7      -2.693  -3.129  -0.841          0.037
+ATOM     13  CB  ALA     7      -2.403  -3.207  -0.263          0.060
+ATOM     14  CA  ALA     8      -5.621  -5.507  -1.147          0.032
+ATOM     15  CB  ALA     8      -6.262  -5.420  -0.964          0.013
+ATOM     16  CA  ALA     9      -7.472  -3.785  -4.019          0.019
+ATOM     17  CB  ALA     9      -7.477  -3.104  -4.401          0.037
+ATOM     18  CA  ALA    10      -6.603  -6.864  -6.131          0.027
+ATOM     19  CB  ALA    10      -6.037  -7.183  -5.938          0.181
+ATOM     20  CA  ALA    11     -10.012  -8.333  -5.382          0.005
+ATOM     21  CB  ALA    11     -10.045  -8.504  -6.045          0.058
+ATOM     22  CA  ALA    12      -8.757  -8.772  -1.788          0.023
+ATOM     23  CB  ALA    12      -8.061  -8.662  -1.604          0.066
+ATOM     24  CA  ALA    13     -10.827  -6.007  -0.359          0.010
+ATOM     25  CB  ALA    13     -11.637  -6.187  -0.437          0.065
+ATOM     26  CA  CYS    14     -10.051  -3.574   2.533          0.055
+ATOM     27  CB  CYS    14      -9.299  -2.970   1.788          0.062
+ATOM     28  CA  ALA    15     -12.591  -0.701   2.752          0.053
+ATOM     29  CB  ALA    15     -12.978  -0.651   3.394          0.046
+ATOM     30  CA  ALA    16     -10.414   1.263   5.178          0.032
+ATOM     31  CB  ALA    16      -9.796   1.004   4.938          0.014
+ATOM     32  CA  ALA    17     -10.472   4.213   2.838          0.040
+ATOM     33  CB  ALA    17     -11.039   4.373   2.416          0.052
+ATOM     34  CA  GLY    18     -11.725   7.388   4.553          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  744.07                                       ENERGY    -1.29229E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -14.172   0.263  -6.566          0.020
+ATOM      2  CA  ALA     2     -13.064   1.778  -3.257          0.039
+ATOM      3  CB  ALA     2     -13.113   1.921  -2.577          0.071
+ATOM      4  CA  ALA     3      -9.501   0.969  -4.129          0.012
+ATOM      5  CB  ALA     3      -9.074   1.194  -4.669          0.065
+ATOM      6  CA  ALA     4      -8.162   3.383  -1.550          0.079
+ATOM      7  CB  ALA     4      -8.589   3.871  -1.305          0.039
+ATOM      8  CA  CYS     5      -6.302   0.588   0.118          0.068
+ATOM      9  CB  CYS     5      -6.842  -0.519   0.211          0.035
+ATOM     10  CA  ALA     6      -4.647  -0.221  -3.197          0.002
+ATOM     11  CB  ALA     6      -4.502   0.407  -3.534          0.090
+ATOM     12  CA  ALA     7      -2.947  -2.756  -1.028          0.005
+ATOM     13  CB  ALA     7      -2.415  -2.676  -0.602          0.106
+ATOM     14  CA  ALA     8      -5.684  -5.393  -1.170          0.039
+ATOM     15  CB  ALA     8      -5.868  -5.864  -0.607          0.046
+ATOM     16  CA  ALA     9      -7.840  -3.730  -3.870          0.011
+ATOM     17  CB  ALA     9      -7.933  -3.165  -4.180          0.102
+ATOM     18  CA  ALA    10      -7.172  -6.509  -6.299          0.042
+ATOM     19  CB  ALA    10      -6.669  -6.964  -6.629          0.037
+ATOM     20  CA  ALA    11     -10.225  -8.593  -5.362          0.029
+ATOM     21  CB  ALA    11     -10.654  -8.963  -5.027          0.038
+ATOM     22  CA  ALA    12      -8.962  -9.318  -1.803          0.035
+ATOM     23  CB  ALA    12      -8.173  -9.344  -1.763          0.117
+ATOM     24  CA  ALA    13     -10.544  -6.500   0.115          0.112
+ATOM     25  CB  ALA    13     -11.289  -6.744   0.252          0.007
+ATOM     26  CA  CYS    14      -9.864  -3.554   2.371          0.025
+ATOM     27  CB  CYS    14      -8.831  -3.209   1.813          0.019
+ATOM     28  CA  ALA    15     -12.467  -0.849   3.175          0.010
+ATOM     29  CB  ALA    15     -13.007  -1.401   3.226          0.108
+ATOM     30  CA  ALA    16      -9.798   1.514   4.561          0.011
+ATOM     31  CB  ALA    16      -9.140   1.349   4.387          0.046
+ATOM     32  CA  ALA    17     -11.020   4.809   3.077          0.009
+ATOM     33  CB  ALA    17     -11.267   4.413   2.416          0.153
+ATOM     34  CA  GLY    18     -12.388   7.403   5.621          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  749.07                                       ENERGY    -1.34816E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -15.099   0.450  -6.201          0.033
+ATOM      2  CA  ALA     2     -13.055   2.508  -3.796          0.003
+ATOM      3  CB  ALA     2     -13.398   2.570  -3.077          0.061
+ATOM      4  CA  ALA     3      -9.463   1.167  -3.997          0.018
+ATOM      5  CB  ALA     3      -9.496   0.886  -4.594          0.021
+ATOM      6  CA  ALA     4      -8.129   3.574  -1.399          0.011
+ATOM      7  CB  ALA     4      -8.568   3.871  -0.818          0.097
+ATOM      8  CA  CYS     5      -6.071   0.890   0.167          0.030
+ATOM      9  CB  CYS     5      -6.510  -0.235   0.129          0.012
+ATOM     10  CA  ALA     6      -4.899  -0.267  -3.237          0.039
+ATOM     11  CB  ALA     6      -4.969  -0.353  -3.995          0.035
+ATOM     12  CA  ALA     7      -2.434  -2.625  -1.661          0.030
+ATOM     13  CB  ALA     7      -2.261  -2.779  -0.959          0.084
+ATOM     14  CA  ALA     8      -5.006  -5.282  -1.418          0.025
+ATOM     15  CB  ALA     8      -5.456  -5.586  -1.027          0.058
+ATOM     16  CA  ALA     9      -8.184  -4.302  -3.101          0.012
+ATOM     17  CB  ALA     9      -8.316  -3.645  -3.300          0.092
+ATOM     18  CA  ALA    10      -7.683  -6.604  -6.058          0.012
+ATOM     19  CB  ALA    10      -7.113  -6.625  -5.729          0.044
+ATOM     20  CA  ALA    11     -10.514  -8.799  -5.030          0.010
+ATOM     21  CB  ALA    11     -10.868  -9.022  -5.605          0.010
+ATOM     22  CA  ALA    12      -8.916  -9.199  -1.595          0.067
+ATOM     23  CB  ALA    12      -8.308  -8.833  -1.735          0.101
+ATOM     24  CA  ALA    13     -11.146  -7.049   0.583          0.024
+ATOM     25  CB  ALA    13     -11.284  -7.624   1.033          0.009
+ATOM     26  CA  CYS    14      -9.299  -4.002   1.954          0.055
+ATOM     27  CB  CYS    14      -8.571  -3.346   1.231          0.065
+ATOM     28  CA  ALA    15     -11.451  -0.969   2.771          0.087
+ATOM     29  CB  ALA    15     -11.882  -0.427   3.036          0.024
+ATOM     30  CA  ALA    16      -9.226   1.759   4.165          0.041
+ATOM     31  CB  ALA    16      -8.562   1.617   3.807          0.019
+ATOM     32  CA  ALA    17     -11.761   4.455   3.264          0.025
+ATOM     33  CB  ALA    17     -12.382   4.792   2.808          0.142
+ATOM     34  CA  GLY    18     -12.688   6.772   6.165          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  754.07                                       ENERGY    -1.35054E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -16.099   1.309  -5.848          0.076
+ATOM      2  CA  ALA     2     -13.275   2.986  -3.931          0.060
+ATOM      3  CB  ALA     2     -13.308   2.988  -3.200          0.013
+ATOM      4  CA  ALA     3      -9.978   1.109  -3.865          0.001
+ATOM      5  CB  ALA     3      -9.204   1.003  -3.809          0.065
+ATOM      6  CA  ALA     4      -8.123   3.540  -1.546          0.025
+ATOM      7  CB  ALA     4      -8.640   3.641  -1.048          0.116
+ATOM      8  CA  CYS     5      -5.874   0.777  -0.191          0.009
+ATOM      9  CB  CYS     5      -6.524  -0.230   0.252          0.026
+ATOM     10  CA  ALA     6      -5.423  -0.743  -3.588          0.031
+ATOM     11  CB  ALA     6      -5.043  -0.042  -3.774          0.068
+ATOM     12  CA  ALA     7      -2.766  -3.103  -2.366          0.079
+ATOM     13  CB  ALA     7      -2.215  -2.624  -2.323          0.040
+ATOM     14  CA  ALA     8      -5.164  -5.599  -1.033          0.016
+ATOM     15  CB  ALA     8      -4.667  -5.917  -0.665          0.071
+ATOM     16  CA  ALA     9      -7.942  -4.062  -2.974          0.009
+ATOM     17  CB  ALA     9      -8.303  -3.523  -3.282          0.045
+ATOM     18  CA  ALA    10      -7.604  -6.432  -5.912          0.025
+ATOM     19  CB  ALA    10      -6.899  -6.747  -5.934          0.045
+ATOM     20  CA  ALA    11     -10.567  -8.602  -4.993          0.030
+ATOM     21  CB  ALA    11     -10.789  -9.304  -5.086          0.026
+ATOM     22  CA  ALA    12      -9.357  -9.609  -1.576          0.018
+ATOM     23  CB  ALA    12      -8.755  -9.923  -1.300          0.009
+ATOM     24  CA  ALA    13     -10.857  -7.057   0.822          0.022
+ATOM     25  CB  ALA    13     -10.736  -7.519   1.381          0.127
+ATOM     26  CA  CYS    14      -9.054  -3.928   1.993          0.086
+ATOM     27  CB  CYS    14      -8.413  -3.267   1.124          0.033
+ATOM     28  CA  ALA    15     -10.807  -0.553   2.486          0.009
+ATOM     29  CB  ALA    15     -11.413  -0.913   2.782          0.022
+ATOM     30  CA  ALA    16      -8.825   2.444   3.645          0.009
+ATOM     31  CB  ALA    16      -8.559   3.071   3.268          0.128
+ATOM     32  CA  ALA    17     -11.983   4.540   3.525          0.052
+ATOM     33  CB  ALA    17     -12.225   3.988   3.143          0.050
+ATOM     34  CA  GLY    18     -13.150   5.750   6.896          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  759.06                                       ENERGY    -1.31223E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -16.904   2.574  -5.555          0.067
+ATOM      2  CA  ALA     2     -13.632   3.040  -3.739          0.010
+ATOM      3  CB  ALA     2     -13.700   3.634  -3.455          0.052
+ATOM      4  CA  ALA     3     -10.473   1.082  -2.735          0.041
+ATOM      5  CB  ALA     3     -10.131   0.807  -3.356          0.088
+ATOM      6  CA  ALA     4      -7.600   3.377  -1.515          0.002
+ATOM      7  CB  ALA     4      -7.802   4.018  -1.223          0.158
+ATOM      8  CA  CYS     5      -5.524   0.256  -0.821          0.036
+ATOM      9  CB  CYS     5      -6.431  -0.574  -0.526          0.054
+ATOM     10  CA  ALA     6      -5.585  -1.128  -4.336          0.041
+ATOM     11  CB  ALA     6      -5.391  -0.823  -4.906          0.053
+ATOM     12  CA  ALA     7      -2.703  -3.159  -3.033          0.035
+ATOM     13  CB  ALA     7      -2.351  -2.815  -2.418          0.059
+ATOM     14  CA  ALA     8      -5.058  -5.213  -1.022          0.029
+ATOM     15  CB  ALA     8      -5.250  -5.594  -0.611          0.040
+ATOM     16  CA  ALA     9      -7.967  -4.552  -3.332          0.014
+ATOM     17  CB  ALA     9      -8.260  -3.939  -3.641          0.060
+ATOM     18  CA  ALA    10      -7.096  -7.181  -5.897          0.020
+ATOM     19  CB  ALA    10      -6.866  -7.850  -5.834          0.094
+ATOM     20  CA  ALA    11     -10.450  -8.818  -4.942          0.020
+ATOM     21  CB  ALA    11     -11.110  -9.104  -5.308          0.077
+ATOM     22  CA  ALA    12      -8.987  -9.583  -1.576          0.022
+ATOM     23  CB  ALA    12      -8.258  -9.680  -1.718          0.045
+ATOM     24  CA  ALA    13     -10.165  -6.718   0.667          0.041
+ATOM     25  CB  ALA    13     -10.545  -6.739   1.345          0.150
+ATOM     26  CA  CYS    14      -8.818  -3.762   2.730          0.005
+ATOM     27  CB  CYS    14      -8.234  -3.242   1.735          0.022
+ATOM     28  CA  ALA    15     -10.602  -0.358   3.097          0.034
+ATOM     29  CB  ALA    15     -11.068  -0.491   3.659          0.141
+ATOM     30  CA  ALA    16      -9.030   3.068   3.615          0.064
+ATOM     31  CB  ALA    16      -8.451   2.917   3.201          0.061
+ATOM     32  CA  ALA    17     -12.361   5.047   3.702          0.012
+ATOM     33  CB  ALA    17     -12.996   4.989   3.343          0.076
+ATOM     34  CA  GLY    18     -13.548   4.479   7.285          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  764.06                                       ENERGY    -1.84428E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -17.391   2.884  -4.472          0.077
+ATOM      2  CA  ALA     2     -13.684   3.550  -3.769          0.068
+ATOM      3  CB  ALA     2     -13.348   4.268  -3.486          0.025
+ATOM      4  CA  ALA     3     -10.910   1.611  -1.969          0.010
+ATOM      5  CB  ALA     3     -10.653   0.928  -2.007          0.008
+ATOM      6  CA  ALA     4      -7.397   3.041  -2.210          0.025
+ATOM      7  CB  ALA     4      -7.261   3.493  -1.762          0.020
+ATOM      8  CA  CYS     5      -5.324   0.004  -1.342          0.145
+ATOM      9  CB  CYS     5      -6.114  -0.907  -1.087          0.070
+ATOM     10  CA  ALA     6      -5.795  -1.440  -4.757          0.048
+ATOM     11  CB  ALA     6      -5.929  -0.724  -5.089          0.041
+ATOM     12  CA  ALA     7      -2.740  -3.380  -3.514          0.036
+ATOM     13  CB  ALA     7      -2.107  -3.117  -3.472          0.060
+ATOM     14  CA  ALA     8      -5.000  -5.721  -1.573          0.032
+ATOM     15  CB  ALA     8      -5.218  -5.897  -0.817          0.154
+ATOM     16  CA  ALA     9      -7.967  -4.765  -3.860          0.020
+ATOM     17  CB  ALA     9      -8.196  -4.149  -3.921          0.079
+ATOM     18  CA  ALA    10      -7.075  -7.722  -5.947          0.053
+ATOM     19  CB  ALA    10      -6.359  -7.636  -5.862          0.065
+ATOM     20  CA  ALA    11     -10.170  -9.682  -4.742          0.016
+ATOM     21  CB  ALA    11     -10.037 -10.316  -5.210          0.177
+ATOM     22  CA  ALA    12      -9.060  -8.890  -1.150          0.029
+ATOM     23  CB  ALA    12      -8.282  -8.936  -1.204          0.012
+ATOM     24  CA  ALA    13     -10.284  -6.129   1.102          0.003
+ATOM     25  CB  ALA    13     -10.695  -6.603   1.360          0.051
+ATOM     26  CA  CYS    14      -8.712  -2.895   2.377          0.074
+ATOM     27  CB  CYS    14      -8.267  -2.423   1.366          0.063
+ATOM     28  CA  ALA    15     -10.908  -0.329   4.049          0.038
+ATOM     29  CB  ALA    15     -11.217  -0.035   4.726          0.008
+ATOM     30  CA  ALA    16      -9.164   3.028   4.030          0.032
+ATOM     31  CB  ALA    16      -8.839   3.600   3.602          0.140
+ATOM     32  CA  ALA    17     -12.546   4.839   3.827          0.041
+ATOM     33  CB  ALA    17     -13.111   4.740   3.309          0.013
+ATOM     34  CA  GLY    18     -13.433   3.476   7.263          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  769.06                                       ENERGY    -2.26847E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -17.239   3.113  -2.588          0.070
+ATOM      2  CA  ALA     2     -13.584   3.876  -3.501          0.015
+ATOM      3  CB  ALA     2     -13.254   4.484  -3.260          0.034
+ATOM      4  CA  ALA     3     -10.689   1.807  -2.102          0.047
+ATOM      5  CB  ALA     3     -10.724   1.087  -1.938          0.041
+ATOM      6  CA  ALA     4      -7.112   3.293  -2.386          0.108
+ATOM      7  CB  ALA     4      -6.978   3.968  -1.979          0.090
+ATOM      8  CA  CYS     5      -5.112   0.091  -1.831          0.047
+ATOM      9  CB  CYS     5      -6.013  -0.470  -1.275          0.017
+ATOM     10  CA  ALA     6      -5.898  -1.330  -5.306          0.009
+ATOM     11  CB  ALA     6      -5.717  -1.331  -6.005          0.124
+ATOM     12  CA  ALA     7      -3.202  -3.926  -4.812          0.030
+ATOM     13  CB  ALA     7      -2.495  -4.157  -4.666          0.282
+ATOM     14  CA  ALA     8      -5.039  -5.344  -1.866          0.092
+ATOM     15  CB  ALA     8      -5.116  -5.074  -1.178          0.045
+ATOM     16  CA  ALA     9      -8.272  -5.250  -3.762          0.055
+ATOM     17  CB  ALA     9      -8.297  -4.552  -3.894          0.021
+ATOM     18  CA  ALA    10      -6.863  -7.920  -6.074          0.074
+ATOM     19  CB  ALA    10      -6.040  -7.796  -6.107          0.041
+ATOM     20  CA  ALA    11      -9.176 -10.380  -4.375          0.077
+ATOM     21  CB  ALA    11      -9.034 -11.086  -4.054          0.139
+ATOM     22  CA  ALA    12      -9.053  -9.008  -0.837          0.016
+ATOM     23  CB  ALA    12      -8.436  -8.590  -0.848          0.066
+ATOM     24  CA  ALA    13     -10.649  -5.967   0.903          0.013
+ATOM     25  CB  ALA    13     -11.329  -6.060   1.370          0.091
+ATOM     26  CA  CYS    14      -8.985  -2.894   2.309          0.059
+ATOM     27  CB  CYS    14      -8.463  -2.678   1.235          0.018
+ATOM     28  CA  ALA    15     -10.849  -0.111   4.197          0.012
+ATOM     29  CB  ALA    15     -11.236  -0.383   4.776          0.053
+ATOM     30  CA  ALA    16      -9.374   3.403   4.453          0.022
+ATOM     31  CB  ALA    16      -8.885   3.682   3.886          0.136
+ATOM     32  CA  ALA    17     -12.840   4.958   4.389          0.038
+ATOM     33  CB  ALA    17     -13.065   4.650   3.799          0.007
+ATOM     34  CA  GLY    18     -13.984   3.340   7.511          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  774.06                                       ENERGY    -1.29394E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -16.986   3.185  -1.062          0.038
+ATOM      2  CA  ALA     2     -13.583   3.984  -2.486          0.028
+ATOM      3  CB  ALA     2     -13.354   4.706  -2.453          0.112
+ATOM      4  CA  ALA     3     -10.146   2.307  -2.469          0.045
+ATOM      5  CB  ALA     3     -10.154   1.669  -2.968          0.064
+ATOM      6  CA  ALA     4      -6.471   3.022  -2.987          0.037
+ATOM      7  CB  ALA     4      -6.414   3.768  -2.811          0.026
+ATOM      8  CA  CYS     5      -5.268  -0.559  -2.022          0.019
+ATOM      9  CB  CYS     5      -6.348  -0.910  -1.813          0.072
+ATOM     10  CA  ALA     6      -6.036  -1.235  -5.658          0.009
+ATOM     11  CB  ALA     6      -6.098  -0.791  -6.218          0.108
+ATOM     12  CA  ALA     7      -3.520  -3.944  -5.305          0.004
+ATOM     13  CB  ALA     7      -2.848  -4.070  -5.199          0.018
+ATOM     14  CA  ALA     8      -5.285  -4.883  -1.967          0.009
+ATOM     15  CB  ALA     8      -5.062  -4.730  -1.264          0.077
+ATOM     16  CA  ALA     9      -8.713  -5.420  -3.615          0.005
+ATOM     17  CB  ALA     9      -8.852  -4.681  -3.816          0.084
+ATOM     18  CA  ALA    10      -7.265  -8.077  -5.745          0.014
+ATOM     19  CB  ALA    10      -6.693  -8.406  -6.136          0.047
+ATOM     20  CA  ALA    11      -8.358 -10.767  -3.382          0.089
+ATOM     21  CB  ALA    11      -8.118 -11.487  -3.687          0.167
+ATOM     22  CA  ALA    12      -8.112  -8.624  -0.229          0.047
+ATOM     23  CB  ALA    12      -7.693  -8.016  -0.127          0.071
+ATOM     24  CA  ALA    13     -10.950  -6.157   0.455          0.006
+ATOM     25  CB  ALA    13     -11.409  -6.368   1.035          0.088
+ATOM     26  CA  CYS    14      -9.173  -3.076   1.769          0.021
+ATOM     27  CB  CYS    14      -8.541  -2.523   0.857          0.017
+ATOM     28  CA  ALA    15     -10.757   0.137   3.084          0.027
+ATOM     29  CB  ALA    15     -11.448   0.036   3.439          0.213
+ATOM     30  CA  ALA    16      -9.525   3.176   4.988          0.001
+ATOM     31  CB  ALA    16      -8.868   3.359   5.110          0.161
+ATOM     32  CA  ALA    17     -13.013   4.706   4.759          0.011
+ATOM     33  CB  ALA    17     -13.516   4.880   4.281          0.099
+ATOM     34  CA  GLY    18     -14.248   3.788   8.328          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  779.06                                       ENERGY    -1.62104E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -15.856   2.687  -0.084          0.062
+ATOM      2  CA  ALA     2     -12.939   4.581  -1.698          0.075
+ATOM      3  CB  ALA     2     -12.759   5.154  -1.156          0.105
+ATOM      4  CA  ALA     3     -10.146   2.299  -2.748          0.020
+ATOM      5  CB  ALA     3      -9.813   1.739  -3.115          0.111
+ATOM      6  CA  ALA     4      -6.557   3.327  -3.240          0.035
+ATOM      7  CB  ALA     4      -6.114   3.876  -3.072          0.170
+ATOM      8  CA  CYS     5      -5.423  -0.332  -2.944          0.005
+ATOM      9  CB  CYS     5      -6.139  -0.975  -2.260          0.022
+ATOM     10  CA  ALA     6      -6.933  -1.813  -6.088          0.019
+ATOM     11  CB  ALA     6      -7.168  -1.300  -6.499          0.144
+ATOM     12  CA  ALA     7      -3.913  -3.969  -5.361          0.039
+ATOM     13  CB  ALA     7      -3.332  -3.622  -5.247          0.080
+ATOM     14  CA  ALA     8      -5.323  -5.204  -2.077          0.001
+ATOM     15  CB  ALA     8      -5.280  -5.203  -1.270          0.044
+ATOM     16  CA  ALA     9      -8.721  -5.242  -3.952          0.007
+ATOM     17  CB  ALA     9      -9.169  -4.965  -4.533          0.082
+ATOM     18  CA  ALA    10      -7.381  -8.228  -5.924          0.010
+ATOM     19  CB  ALA    10      -6.615  -8.316  -6.070          0.049
+ATOM     20  CA  ALA    11      -8.160 -10.429  -2.949          0.022
+ATOM     21  CB  ALA    11      -7.924 -10.976  -2.570          0.038
+ATOM     22  CA  ALA    12      -7.446  -8.760   0.489          0.052
+ATOM     23  CB  ALA    12      -6.723  -8.640   0.724          0.192
+ATOM     24  CA  ALA    13     -10.233  -6.273   0.505          0.028
+ATOM     25  CB  ALA    13     -10.923  -6.565   0.494          0.024
+ATOM     26  CA  CYS    14      -9.349  -2.723   1.686          0.041
+ATOM     27  CB  CYS    14      -8.995  -2.462   0.514          0.035
+ATOM     28  CA  ALA    15     -11.412   0.366   2.529          0.022
+ATOM     29  CB  ALA    15     -12.178   0.447   2.558          0.049
+ATOM     30  CA  ALA    16      -9.710   2.584   5.085          0.035
+ATOM     31  CB  ALA    16      -9.401   3.195   4.630          0.123
+ATOM     32  CA  ALA    17     -12.858   4.809   5.458          0.062
+ATOM     33  CB  ALA    17     -13.166   4.558   4.819          0.027
+ATOM     34  CA  GLY    18     -14.542   4.184   8.771          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  784.06                                       ENERGY    -1.22793E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -15.057   2.728   0.324          0.074
+ATOM      2  CA  ALA     2     -12.128   4.946  -0.711          0.031
+ATOM      3  CB  ALA     2     -11.742   5.426  -0.482          0.081
+ATOM      4  CA  ALA     3     -10.042   2.200  -2.309          0.008
+ATOM      5  CB  ALA     3     -10.654   1.802  -2.027          0.085
+ATOM      6  CA  ALA     4      -6.780   3.247  -4.062          0.025
+ATOM      7  CB  ALA     4      -6.227   3.645  -4.260          0.008
+ATOM      8  CA  CYS     5      -5.482  -0.204  -3.069          0.031
+ATOM      9  CB  CYS     5      -6.383  -0.548  -2.211          0.104
+ATOM     10  CA  ALA     6      -7.396  -1.784  -5.959          0.008
+ATOM     11  CB  ALA     6      -7.404  -1.298  -6.530          0.022
+ATOM     12  CA  ALA     7      -4.072  -3.688  -5.492          0.053
+ATOM     13  CB  ALA     7      -3.584  -3.219  -5.789          0.055
+ATOM     14  CA  ALA     8      -5.277  -5.229  -2.224          0.020
+ATOM     15  CB  ALA     8      -5.859  -5.101  -1.766          0.059
+ATOM     16  CA  ALA     9      -8.746  -5.595  -3.717          0.053
+ATOM     17  CB  ALA     9      -9.191  -5.435  -4.258          0.060
+ATOM     18  CA  ALA    10      -7.739  -8.746  -5.601          0.033
+ATOM     19  CB  ALA    10      -7.132  -8.879  -5.897          0.035
+ATOM     20  CA  ALA    11      -8.106 -10.828  -2.434          0.013
+ATOM     21  CB  ALA    11      -8.017 -11.449  -2.821          0.068
+ATOM     22  CA  ALA    12      -6.756  -8.571   0.219          0.028
+ATOM     23  CB  ALA    12      -6.204  -8.168   0.451          0.086
+ATOM     24  CA  ALA    13      -9.502  -6.116   0.872          0.025
+ATOM     25  CB  ALA    13     -10.235  -6.296   1.187          0.061
+ATOM     26  CA  CYS    14      -9.605  -2.336   0.893          0.033
+ATOM     27  CB  CYS    14      -8.755  -2.069   0.003          0.044
+ATOM     28  CA  ALA    15     -12.055   0.095   2.429          0.006
+ATOM     29  CB  ALA    15     -12.614   0.016   2.934          0.075
+ATOM     30  CA  ALA    16      -9.902   2.272   4.521          0.016
+ATOM     31  CB  ALA    16      -9.699   2.861   4.124          0.026
+ATOM     32  CA  ALA    17     -12.687   4.690   5.447          0.024
+ATOM     33  CB  ALA    17     -13.351   4.381   5.262          0.010
+ATOM     34  CA  GLY    18     -14.549   4.420   8.745          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  789.06                                       ENERGY    -8.55869E+00
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -14.995   3.899   0.364          0.012
+ATOM      2  CA  ALA     2     -11.557   5.378   0.182          0.007
+ATOM      3  CB  ALA     2     -11.253   5.936   0.683          0.255
+ATOM      4  CA  ALA     3     -10.123   2.394  -1.690          0.036
+ATOM      5  CB  ALA     3     -10.420   2.826  -2.210          0.004
+ATOM      6  CA  ALA     4      -7.342   3.468  -4.072          0.009
+ATOM      7  CB  ALA     4      -7.136   4.069  -4.487          0.027
+ATOM      8  CA  CYS     5      -5.564   0.144  -3.583          0.027
+ATOM      9  CB  CYS     5      -6.279  -0.132  -2.536          0.026
+ATOM     10  CA  ALA     6      -7.611  -1.668  -6.171          0.009
+ATOM     11  CB  ALA     6      -8.022  -1.556  -6.748          0.058
+ATOM     12  CA  ALA     7      -4.624  -4.034  -6.257          0.011
+ATOM     13  CB  ALA     7      -3.807  -4.106  -6.106          0.186
+ATOM     14  CA  ALA     8      -5.244  -5.006  -2.609          0.016
+ATOM     15  CB  ALA     8      -4.880  -4.361  -2.573          0.047
+ATOM     16  CA  ALA     9      -8.806  -6.003  -3.516          0.022
+ATOM     17  CB  ALA     9      -8.604  -5.441  -3.940          0.125
+ATOM     18  CA  ALA    10      -7.326  -8.966  -5.283          0.016
+ATOM     19  CB  ALA    10      -6.647  -9.050  -5.469          0.044
+ATOM     20  CA  ALA    11      -8.375 -11.305  -2.547          0.002
+ATOM     21  CB  ALA    11      -8.344 -11.808  -2.093          0.024
+ATOM     22  CA  ALA    12      -7.247  -8.789  -0.020          0.043
+ATOM     23  CB  ALA    12      -6.690  -8.479  -0.359          0.145
+ATOM     24  CA  ALA    13      -9.045  -6.029   1.895          0.042
+ATOM     25  CB  ALA    13      -8.907  -6.262   2.530          0.048
+ATOM     26  CA  CYS    14      -9.338  -2.311   1.005          0.054
+ATOM     27  CB  CYS    14      -8.931  -1.728  -0.064          0.014
+ATOM     28  CA  ALA    15     -12.321  -0.805   2.938          0.017
+ATOM     29  CB  ALA    15     -12.262  -1.253   3.505          0.036
+ATOM     30  CA  ALA    16     -10.264   2.328   3.740          0.022
+ATOM     31  CB  ALA    16      -9.709   2.258   3.266          0.103
+ATOM     32  CA  ALA    17     -13.230   4.405   5.000          0.017
+ATOM     33  CB  ALA    17     -13.567   4.355   4.470          0.034
+ATOM     34  CA  GLY    18     -13.696   4.302   8.842          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  794.06                                       ENERGY    -1.84511E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -15.208   5.893  -0.068          0.095
+ATOM      2  CA  ALA     2     -11.394   6.054   0.049          0.009
+ATOM      3  CB  ALA     2     -11.382   5.813   0.754          0.339
+ATOM      4  CA  ALA     3     -10.264   2.983  -1.910          0.031
+ATOM      5  CB  ALA     3     -10.491   2.741  -2.541          0.048
+ATOM      6  CA  ALA     4      -7.466   3.601  -4.412          0.013
+ATOM      7  CB  ALA     4      -7.064   4.163  -4.105          0.032
+ATOM      8  CA  CYS     5      -6.220   0.105  -3.460          0.012
+ATOM      9  CB  CYS     5      -7.109   0.044  -2.558          0.016
+ATOM     10  CA  ALA     6      -8.090  -1.740  -6.315          0.041
+ATOM     11  CB  ALA     6      -8.093  -1.461  -6.989          0.100
+ATOM     12  CA  ALA     7      -5.023  -3.894  -6.917          0.032
+ATOM     13  CB  ALA     7      -4.280  -4.114  -7.076          0.176
+ATOM     14  CA  ALA     8      -4.830  -4.770  -3.231          0.022
+ATOM     15  CB  ALA     8      -5.041  -4.856  -2.498          0.118
+ATOM     16  CA  ALA     9      -8.443  -5.871  -3.285          0.005
+ATOM     17  CB  ALA     9      -9.097  -5.515  -3.616          0.107
+ATOM     18  CA  ALA    10      -7.295  -9.078  -5.025          0.027
+ATOM     19  CB  ALA    10      -6.581  -9.315  -5.074          0.027
+ATOM     20  CA  ALA    11      -8.656 -11.181  -2.200          0.033
+ATOM     21  CB  ALA    11      -8.848 -11.833  -2.349          0.024
+ATOM     22  CA  ALA    12      -6.959  -8.974   0.300          0.024
+ATOM     23  CB  ALA    12      -6.292  -8.551   0.080          0.201
+ATOM     24  CA  ALA    13      -8.516  -6.043   2.021          0.013
+ATOM     25  CB  ALA    13      -8.417  -6.135   2.683          0.002
+ATOM     26  CA  CYS    14      -8.637  -2.277   1.443          0.044
+ATOM     27  CB  CYS    14      -8.706  -2.187   0.224          0.039
+ATOM     28  CA  ALA    15     -11.709  -1.380   3.575          0.012
+ATOM     29  CB  ALA    15     -12.211  -1.220   4.044          0.091
+ATOM     30  CA  ALA    16     -10.120   2.061   3.516          0.011
+ATOM     31  CB  ALA    16      -9.618   2.111   2.975          0.093
+ATOM     32  CA  ALA    17     -13.247   3.774   4.752          0.008
+ATOM     33  CB  ALA    17     -13.901   3.569   4.567          0.057
+ATOM     34  CA  GLY    18     -13.021   3.944   8.659          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  798.98                                       ENERGY    -2.56254E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -15.287   8.155   0.348          0.078
+ATOM      2  CA  ALA     2     -12.127   6.664  -1.094          0.108
+ATOM      3  CB  ALA     2     -11.576   6.983  -0.762          0.160
+ATOM      4  CA  ALA     3     -10.767   3.456  -2.496          0.032
+ATOM      5  CB  ALA     3     -11.312   2.987  -2.425          0.004
+ATOM      6  CA  ALA     4      -7.367   3.288  -4.205          0.031
+ATOM      7  CB  ALA     4      -6.658   3.352  -3.867          0.055
+ATOM      8  CA  CYS     5      -6.713  -0.245  -3.157          0.009
+ATOM      9  CB  CYS     5      -7.224  -0.436  -2.006          0.050
+ATOM     10  CA  ALA     6      -8.355  -1.673  -6.258          0.052
+ATOM     11  CB  ALA     6      -8.452  -1.225  -6.860          0.150
+ATOM     12  CA  ALA     7      -5.195  -3.631  -7.024          0.044
+ATOM     13  CB  ALA     7      -5.081  -2.960  -7.411          0.027
+ATOM     14  CA  ALA     8      -5.077  -4.732  -3.404          0.025
+ATOM     15  CB  ALA     8      -5.256  -4.656  -2.701          0.155
+ATOM     16  CA  ALA     9      -8.790  -5.539  -3.762          0.069
+ATOM     17  CB  ALA     9      -9.164  -5.274  -4.274          0.061
+ATOM     18  CA  ALA    10      -7.964  -9.060  -4.891          0.002
+ATOM     19  CB  ALA    10      -7.257  -9.308  -5.056          0.040
+ATOM     20  CA  ALA    11      -8.584 -10.946  -1.659          0.022
+ATOM     21  CB  ALA    11      -8.736 -11.678  -1.953          0.172
+ATOM     22  CA  ALA    12      -5.936  -9.296   0.605          0.035
+ATOM     23  CB  ALA    12      -5.396  -8.786   0.696          0.055
+ATOM     24  CA  ALA    13      -8.391  -6.724   2.011          0.070
+ATOM     25  CB  ALA    13      -8.608  -7.092   2.579          0.102
+ATOM     26  CA  CYS    14      -7.893  -2.939   1.527          0.073
+ATOM     27  CB  CYS    14      -8.133  -2.708   0.283          0.106
+ATOM     28  CA  ALA    15     -10.683  -1.379   3.653          0.034
+ATOM     29  CB  ALA    15     -11.151  -1.750   4.103          0.046
+ATOM     30  CA  ALA    16      -9.849   2.271   3.948          0.074
+ATOM     31  CB  ALA    16      -9.824   2.423   3.221          0.066
+ATOM     32  CA  ALA    17     -13.423   3.380   4.743          0.012
+ATOM     33  CB  ALA    17     -14.003   2.930   4.630          0.061
+ATOM     34  CA  GLY    18     -12.496   3.484   8.410          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  803.98                                       ENERGY    -1.78588E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -14.407   8.792   0.307          0.104
+ATOM      2  CA  ALA     2     -12.257   7.462  -2.577          0.058
+ATOM      3  CB  ALA     2     -12.017   7.908  -3.142          0.035
+ATOM      4  CA  ALA     3     -10.923   3.946  -2.262          0.044
+ATOM      5  CB  ALA     3     -10.903   3.198  -2.509          0.028
+ATOM      6  CA  ALA     4      -7.532   3.478  -3.811          0.030
+ATOM      7  CB  ALA     4      -7.130   4.077  -3.767          0.073
+ATOM      8  CA  CYS     5      -7.301  -0.066  -2.676          0.050
+ATOM      9  CB  CYS     5      -7.946  -0.081  -1.600          0.050
+ATOM     10  CA  ALA     6      -8.985  -1.203  -5.893          0.026
+ATOM     11  CB  ALA     6      -9.177  -1.339  -6.534          0.079
+ATOM     12  CA  ALA     7      -5.798  -3.029  -6.980          0.012
+ATOM     13  CB  ALA     7      -5.045  -3.047  -7.035          0.249
+ATOM     14  CA  ALA     8      -5.496  -4.660  -3.521          0.011
+ATOM     15  CB  ALA     8      -5.067  -4.113  -3.406          0.013
+ATOM     16  CA  ALA     9      -9.096  -5.835  -3.517          0.042
+ATOM     17  CB  ALA     9      -9.705  -5.653  -3.892          0.080
+ATOM     18  CA  ALA    10      -8.011  -9.216  -4.834          0.020
+ATOM     19  CB  ALA    10      -7.461  -9.442  -5.242          0.009
+ATOM     20  CA  ALA    11      -8.533 -11.384  -1.745          0.037
+ATOM     21  CB  ALA    11      -8.415 -11.533  -1.001          0.015
+ATOM     22  CA  ALA    12      -5.610  -9.450  -0.123          0.034
+ATOM     23  CB  ALA    12      -5.034  -9.373  -0.598          0.043
+ATOM     24  CA  ALA    13      -7.940  -7.615   2.221          0.011
+ATOM     25  CB  ALA    13      -8.172  -7.963   2.958          0.187
+ATOM     26  CA  CYS    14      -7.740  -3.814   1.963          0.013
+ATOM     27  CB  CYS    14      -7.490  -3.225   0.864          0.025
+ATOM     28  CA  ALA    15     -10.073  -1.368   3.695          0.010
+ATOM     29  CB  ALA    15      -9.829  -1.467   4.408          0.115
+ATOM     30  CA  ALA    16      -9.846   2.371   3.214          0.042
+ATOM     31  CB  ALA    16      -9.533   2.655   2.573          0.045
+ATOM     32  CA  ALA    17     -13.093   3.034   5.028          0.014
+ATOM     33  CB  ALA    17     -13.510   2.391   5.087          0.071
+ATOM     34  CA  GLY    18     -13.052   3.134   8.832          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  808.98                                       ENERGY    -1.86488E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -13.613   9.690  -0.447          0.057
+ATOM      2  CA  ALA     2     -12.646   7.672  -3.588          0.005
+ATOM      3  CB  ALA     2     -12.388   8.097  -4.215          0.212
+ATOM      4  CA  ALA     3     -10.639   4.648  -2.474          0.010
+ATOM      5  CB  ALA     3     -11.151   4.101  -2.268          0.013
+ATOM      6  CA  ALA     4      -7.391   3.481  -4.180          0.022
+ATOM      7  CB  ALA     4      -6.755   3.998  -4.180          0.164
+ATOM      8  CA  CYS     5      -7.263   0.001  -2.583          0.123
+ATOM      9  CB  CYS     5      -7.858  -0.310  -1.505          0.135
+ATOM     10  CA  ALA     6      -9.590  -1.362  -5.262          0.115
+ATOM     11  CB  ALA     6     -10.152  -0.850  -5.207          0.175
+ATOM     12  CA  ALA     7      -6.660  -3.323  -6.804          0.011
+ATOM     13  CB  ALA     7      -6.628  -2.741  -7.266          0.170
+ATOM     14  CA  ALA     8      -5.773  -4.355  -3.271          0.030
+ATOM     15  CB  ALA     8      -5.498  -4.363  -2.610          0.137
+ATOM     16  CA  ALA     9      -9.068  -6.122  -2.938          0.000
+ATOM     17  CB  ALA     9      -9.651  -5.925  -3.288          0.011
+ATOM     18  CA  ALA    10      -8.039  -9.229  -5.080          0.051
+ATOM     19  CB  ALA    10      -7.433  -9.479  -5.325          0.028
+ATOM     20  CA  ALA    11      -8.498 -11.669  -2.175          0.026
+ATOM     21  CB  ALA    11      -8.532 -12.312  -2.501          0.103
+ATOM     22  CA  ALA    12      -5.530  -9.961  -0.481          0.022
+ATOM     23  CB  ALA    12      -5.380  -9.305  -0.837          0.005
+ATOM     24  CA  ALA    13      -6.575  -7.389   2.189          0.064
+ATOM     25  CB  ALA    13      -6.467  -7.780   2.825          0.243
+ATOM     26  CA  CYS    14      -7.451  -3.667   1.936          0.016
+ATOM     27  CB  CYS    14      -7.848  -3.207   0.890          0.047
+ATOM     28  CA  ALA    15      -9.513  -1.481   4.428          0.031
+ATOM     29  CB  ALA    15      -9.233  -1.419   5.100          0.070
+ATOM     30  CA  ALA    16      -9.967   2.159   3.274          0.006
+ATOM     31  CB  ALA    16      -9.860   2.301   2.592          0.022
+ATOM     32  CA  ALA    17     -13.075   2.520   5.428          0.006
+ATOM     33  CB  ALA    17     -13.200   2.011   4.993          0.030
+ATOM     34  CA  GLY    18     -13.020   3.443   9.165          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  813.93                                       ENERGY    -1.52837E+01
+ATOM      1  CA  GLY     1     -13.427  10.955  -1.997          0.055
+ATOM      2  CA  ALA     2     -12.462   7.580  -3.533          0.018
+ATOM      3  CB  ALA     2     -12.131   7.962  -4.138          0.007
+ATOM      4  CA  ALA     3     -10.434   4.463  -2.949          0.020
+ATOM      5  CB  ALA     3     -10.357   3.823  -2.639          0.170
+ATOM      6  CA  ALA     4      -7.320   2.926  -4.549          0.019
+ATOM      7  CB  ALA     4      -6.812   3.355  -4.265          0.089
+ATOM      8  CA  CYS     5      -7.490  -0.062  -2.317          0.010
+ATOM      9  CB  CYS     5      -7.176   0.272  -1.193          0.034
+ATOM     10  CA  ALA     6     -10.421  -1.741  -4.058          0.008
+ATOM     11  CB  ALA     6     -10.848  -1.595  -4.672          0.087
+ATOM     12  CA  ALA     7      -7.872  -3.432  -6.408          0.067
+ATOM     13  CB  ALA     7      -7.548  -2.827  -6.614          0.289
+ATOM     14  CA  ALA     8      -6.170  -4.731  -3.262          0.084
+ATOM     15  CB  ALA     8      -5.887  -4.173  -2.860          0.125
+ATOM     16  CA  ALA     9      -9.374  -6.744  -2.565          0.010
+ATOM     17  CB  ALA     9     -10.011  -6.377  -2.606          0.015
+ATOM     18  CA  ALA    10      -8.211  -8.790  -5.632          0.045
+ATOM     19  CB  ALA    10      -7.720  -8.253  -5.727          0.169
+ATOM     20  CA  ALA    11      -8.021 -11.521  -2.968          0.006
+ATOM     21  CB  ALA    11      -7.648 -12.198  -3.019          0.093
+ATOM     22  CA  ALA    12      -5.669  -9.445  -0.771          0.048
+ATOM     23  CB  ALA    12      -5.056  -9.287  -1.174          0.058
+ATOM     24  CA  ALA    13      -6.085  -6.778   1.961          0.022
+ATOM     25  CB  ALA    13      -5.594  -7.140   2.402          0.042
+ATOM     26  CA  CYS    14      -7.324  -3.130   1.799          0.025
+ATOM     27  CB  CYS    14      -8.158  -3.025   0.884          0.004
+ATOM     28  CA  ALA    15      -9.015  -1.765   4.989          0.027
+ATOM     29  CB  ALA    15      -8.963  -1.921   5.674          0.034
+ATOM     30  CA  ALA    16      -9.921   1.615   3.485          0.023
+ATOM     31  CB  ALA    16     -10.064   1.771   2.798          0.063
+ATOM     32  CA  ALA    17     -13.092   2.002   5.485          0.003
+ATOM     33  CB  ALA    17     -13.521   1.665   5.986          0.029
+ATOM     34  CA  GLY    18     -12.499   3.901   8.807          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  818.93                                       ENERGY    -2.01540E+01
+ATOM      1  CA  GLY     1     -12.721  10.747  -2.733          0.039
+ATOM      2  CA  ALA     2     -11.900   7.485  -4.344          0.043
+ATOM      3  CB  ALA     2     -11.441   7.287  -4.846          0.105
+ATOM      4  CA  ALA     3     -10.212   4.444  -2.761          0.032
+ATOM      5  CB  ALA     3     -10.822   4.179  -2.394          0.172
+ATOM      6  CA  ALA     4      -7.681   2.622  -4.914          0.039
+ATOM      7  CB  ALA     4      -7.110   3.125  -5.119          0.188
+ATOM      8  CA  CYS     5      -7.267  -0.150  -2.290          0.067
+ATOM      9  CB  CYS     5      -6.959   0.482  -1.213          0.053
+ATOM     10  CA  ALA     6     -10.723  -1.537  -3.200          0.152
+ATOM     11  CB  ALA     6     -11.139  -1.261  -3.705          0.215
+ATOM     12  CA  ALA     7      -9.035  -3.540  -5.925          0.015
+ATOM     13  CB  ALA     7      -8.652  -3.405  -6.553          0.013
+ATOM     14  CA  ALA     8      -6.425  -4.327  -3.331          0.008
+ATOM     15  CB  ALA     8      -6.000  -4.459  -2.665          0.080
+ATOM     16  CA  ALA     9      -9.504  -6.442  -2.299          0.027
+ATOM     17  CB  ALA     9     -10.211  -6.456  -2.235          0.026
+ATOM     18  CA  ALA    10      -8.944  -8.730  -5.232          0.010
+ATOM     19  CB  ALA    10      -8.618  -8.366  -5.809          0.008
+ATOM     20  CA  ALA    11      -6.992 -11.253  -3.270          0.020
+ATOM     21  CB  ALA    11      -6.815 -11.891  -3.452          0.169
+ATOM     22  CA  ALA    12      -4.859  -8.485  -1.666          0.087
+ATOM     23  CB  ALA    12      -4.498  -7.959  -2.001          0.138
+ATOM     24  CA  ALA    13      -6.307  -6.864   1.448          0.053
+ATOM     25  CB  ALA    13      -6.055  -6.794   2.197          0.034
+ATOM     26  CA  CYS    14      -7.311  -3.262   2.115          0.001
+ATOM     27  CB  CYS    14      -8.198  -3.359   1.273          0.079
+ATOM     28  CA  ALA    15      -8.881  -1.939   5.279          0.022
+ATOM     29  CB  ALA    15      -8.405  -1.990   5.838          0.047
+ATOM     30  CA  ALA    16     -10.519   1.047   3.639          0.042
+ATOM     31  CB  ALA    16     -10.417   1.347   2.986          0.052
+ATOM     32  CA  ALA    17     -13.129   1.565   6.415          0.003
+ATOM     33  CB  ALA    17     -13.099   0.811   6.387          0.044
+ATOM     34  CA  GLY    18     -11.634   4.593   8.181          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  823.93                                       ENERGY    -1.27533E+01
+ATOM      1  CA  GLY     1     -12.355  10.126  -3.068          0.037
+ATOM      2  CA  ALA     2     -10.969   7.475  -5.356          0.012
+ATOM      3  CB  ALA     2     -10.715   7.486  -6.107          0.146
+ATOM      4  CA  ALA     3     -10.099   4.765  -2.811          0.036
+ATOM      5  CB  ALA     3     -10.507   4.224  -2.583          0.064
+ATOM      6  CA  ALA     4      -7.942   2.617  -5.098          0.018
+ATOM      7  CB  ALA     4      -7.496   2.702  -5.765          0.169
+ATOM      8  CA  CYS     5      -7.566  -0.007  -2.316          0.024
+ATOM      9  CB  CYS     5      -7.506   0.295  -1.057          0.076
+ATOM     10  CA  ALA     6     -11.282  -1.165  -2.615          0.037
+ATOM     11  CB  ALA     6     -11.407  -0.518  -2.230          0.184
+ATOM     12  CA  ALA     7     -10.010  -3.163  -5.569          0.047
+ATOM     13  CB  ALA     7      -9.961  -3.451  -6.203          0.146
+ATOM     14  CA  ALA     8      -6.924  -4.261  -3.739          0.015
+ATOM     15  CB  ALA     8      -6.577  -4.004  -3.173          0.048
+ATOM     16  CA  ALA     9      -9.729  -6.331  -2.209          0.007
+ATOM     17  CB  ALA     9     -10.253  -6.215  -1.681          0.031
+ATOM     18  CA  ALA    10      -9.092  -9.045  -4.866          0.023
+ATOM     19  CB  ALA    10      -9.274  -8.847  -5.532          0.033
+ATOM     20  CA  ALA    11      -6.093 -10.729  -3.176          0.030
+ATOM     21  CB  ALA    11      -5.707 -11.267  -3.533          0.033
+ATOM     22  CA  ALA    12      -4.169  -7.634  -1.988          0.009
+ATOM     23  CB  ALA    12      -4.142  -7.477  -2.703          0.095
+ATOM     24  CA  ALA    13      -6.071  -7.042   1.307          0.011
+ATOM     25  CB  ALA    13      -5.388  -7.276   1.453          0.087
+ATOM     26  CA  CYS    14      -7.577  -3.691   2.224          0.019
+ATOM     27  CB  CYS    14      -8.695  -3.456   1.743          0.017
+ATOM     28  CA  ALA    15      -8.624  -2.178   5.520          0.037
+ATOM     29  CB  ALA    15      -8.134  -1.880   6.118          0.091
+ATOM     30  CA  ALA    16     -10.322   0.636   3.667          0.041
+ATOM     31  CB  ALA    16     -10.854   0.475   3.135          0.076
+ATOM     32  CA  ALA    17     -12.644   1.040   6.652          0.014
+ATOM     33  CB  ALA    17     -12.726   0.808   7.356          0.010
+ATOM     34  CA  GLY    18     -11.081   4.426   7.577          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  828.89                                       ENERGY    -1.27561E+01
+ATOM      1  CA  GLY     1     -12.646   9.700  -3.850          0.030
+ATOM      2  CA  ALA     2     -10.026   7.856  -5.977          0.049
+ATOM      3  CB  ALA     2      -9.380   8.156  -6.174          0.224
+ATOM      4  CA  ALA     3     -10.011   4.853  -3.640          0.009
+ATOM      5  CB  ALA     3     -10.195   4.541  -3.037          0.028
+ATOM      6  CA  ALA     4      -8.504   1.812  -5.268          0.007
+ATOM      7  CB  ALA     4      -7.964   2.189  -5.355          0.187
+ATOM      8  CA  CYS     5      -8.159   0.410  -1.798          0.021
+ATOM      9  CB  CYS     5      -7.304   0.891  -1.023          0.098
+ATOM     10  CA  ALA     6     -11.664  -1.203  -1.778          0.081
+ATOM     11  CB  ALA     6     -12.269  -0.859  -1.895          0.039
+ATOM     12  CA  ALA     7     -11.104  -2.803  -5.205          0.023
+ATOM     13  CB  ALA     7     -11.246  -2.328  -5.528          0.109
+ATOM     14  CA  ALA     8      -7.716  -4.035  -3.928          0.012
+ATOM     15  CB  ALA     8      -7.422  -4.028  -3.305          0.037
+ATOM     16  CA  ALA     9      -9.430  -6.618  -1.770          0.011
+ATOM     17  CB  ALA     9     -10.128  -6.538  -1.733          0.275
+ATOM     18  CA  ALA    10      -9.176  -9.253  -4.511          0.006
+ATOM     19  CB  ALA    10      -8.909  -9.092  -5.190          0.060
+ATOM     20  CA  ALA    11      -5.929 -10.704  -3.206          0.005
+ATOM     21  CB  ALA    11      -5.430 -11.199  -3.364          0.081
+ATOM     22  CA  ALA    12      -4.196  -7.341  -2.765          0.017
+ATOM     23  CB  ALA    12      -4.201  -6.767  -3.161          0.020
+ATOM     24  CA  ALA    13      -5.145  -6.836   0.886          0.008
+ATOM     25  CB  ALA    13      -4.664  -6.721   1.476          0.191
+ATOM     26  CA  CYS    14      -7.146  -3.979   2.356          0.004
+ATOM     27  CB  CYS    14      -8.127  -3.882   1.589          0.059
+ATOM     28  CA  ALA    15      -8.509  -2.331   5.504          0.023
+ATOM     29  CB  ALA    15      -7.789  -2.297   5.776          0.063
+ATOM     30  CA  ALA    16     -11.048  -0.064   3.856          0.002
+ATOM     31  CB  ALA    16     -11.521  -0.307   3.288          0.045
+ATOM     32  CA  ALA    17     -12.371   1.098   7.270          0.011
+ATOM     33  CB  ALA    17     -12.664   0.972   7.896          0.053
+ATOM     34  CA  GLY    18     -10.323   4.324   7.178          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  833.80                                       ENERGY    -1.10447E+01
+ATOM      1  CA  GLY     1     -12.694  10.116  -5.232          0.043
+ATOM      2  CA  ALA     2      -9.495   8.158  -5.917          0.016
+ATOM      3  CB  ALA     2      -8.815   8.527  -6.055          0.009
+ATOM      4  CA  ALA     3      -9.750   4.817  -4.044          0.011
+ATOM      5  CB  ALA     3     -10.385   5.247  -3.934          0.013
+ATOM      6  CA  ALA     4      -8.963   1.196  -5.062          0.017
+ATOM      7  CB  ALA     4      -8.559   1.441  -5.685          0.042
+ATOM      8  CA  CYS     5      -8.015   0.357  -1.494          0.028
+ATOM      9  CB  CYS     5      -8.430   1.093  -0.680          0.053
+ATOM     10  CA  ALA     6     -11.696  -0.389  -1.092          0.087
+ATOM     11  CB  ALA     6     -11.937   0.105  -0.638          0.120
+ATOM     12  CA  ALA     7     -11.829  -2.379  -4.273          0.054
+ATOM     13  CB  ALA     7     -11.785  -2.193  -4.990          0.097
+ATOM     14  CA  ALA     8      -8.565  -4.220  -3.978          0.044
+ATOM     15  CB  ALA     8      -7.883  -4.231  -3.819          0.371
+ATOM     16  CA  ALA     9     -10.060  -7.047  -1.944          0.007
+ATOM     17  CB  ALA     9     -10.875  -7.139  -1.873          0.019
+ATOM     18  CA  ALA    10      -8.801  -9.538  -4.585          0.022
+ATOM     19  CB  ALA    10      -8.578  -9.269  -5.228          0.047
+ATOM     20  CA  ALA    11      -5.780 -10.747  -2.641          0.005
+ATOM     21  CB  ALA    11      -5.405 -11.324  -2.956          0.024
+ATOM     22  CA  ALA    12      -3.830  -7.521  -3.116          0.036
+ATOM     23  CB  ALA    12      -4.084  -6.970  -3.538          0.057
+ATOM     24  CA  ALA    13      -4.241  -6.365   0.490          0.019
+ATOM     25  CB  ALA    13      -3.512  -6.490   0.499          0.071
+ATOM     26  CA  CYS    14      -6.617  -3.851   2.009          0.064
+ATOM     27  CB  CYS    14      -7.764  -3.643   1.563          0.014
+ATOM     28  CA  ALA    15      -8.316  -2.430   5.131          0.010
+ATOM     29  CB  ALA    15      -8.655  -1.958   5.613          0.059
+ATOM     30  CA  ALA    16     -11.373  -0.440   4.049          0.007
+ATOM     31  CB  ALA    16     -11.960  -0.733   3.754          0.002
+ATOM     32  CA  ALA    17     -11.946   0.875   7.575          0.020
+ATOM     33  CB  ALA    17     -11.737   0.413   8.177          0.037
+ATOM     34  CA  GLY    18      -9.741   3.876   7.012          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  838.80                                       ENERGY    -1.23250E+01
+ATOM      1  CA  GLY     1     -11.898  11.018  -6.529          0.028
+ATOM      2  CA  ALA     2      -9.410   8.196  -6.408          0.013
+ATOM      3  CB  ALA     2      -8.738   8.189  -6.136          0.041
+ATOM      4  CA  ALA     3      -9.949   5.264  -3.969          0.017
+ATOM      5  CB  ALA     3     -10.345   4.726  -3.661          0.087
+ATOM      6  CA  ALA     4      -8.623   1.782  -4.897          0.009
+ATOM      7  CB  ALA     4      -7.986   1.302  -4.939          0.143
+ATOM      8  CA  CYS     5      -8.885   0.692  -1.314          0.011
+ATOM      9  CB  CYS     5      -8.479   1.894  -1.086          0.049
+ATOM     10  CA  ALA     6     -11.750  -1.534  -0.165          0.012
+ATOM     11  CB  ALA     6     -12.483  -1.566  -0.016          0.076
+ATOM     12  CA  ALA     7     -12.489  -2.571  -3.734          0.018
+ATOM     13  CB  ALA     7     -12.696  -1.895  -3.881          0.152
+ATOM     14  CA  ALA     8      -9.186  -4.303  -4.255          0.034
+ATOM     15  CB  ALA     8      -8.459  -4.148  -4.190          0.129
+ATOM     16  CA  ALA     9     -10.283  -7.113  -2.029          0.011
+ATOM     17  CB  ALA     9     -10.777  -7.590  -1.883          0.012
+ATOM     18  CA  ALA    10      -8.739  -9.571  -4.496          0.010
+ATOM     19  CB  ALA    10      -8.339  -9.287  -5.082          0.063
+ATOM     20  CA  ALA    11      -5.842 -10.521  -2.221          0.016
+ATOM     21  CB  ALA    11      -5.434 -11.132  -1.950          0.067
+ATOM     22  CA  ALA    12      -3.744  -7.480  -3.248          0.015
+ATOM     23  CB  ALA    12      -4.011  -6.932  -3.722          0.006
+ATOM     24  CA  ALA    13      -4.020  -6.189   0.320          0.018
+ATOM     25  CB  ALA    13      -3.506  -5.863   0.670          0.027
+ATOM     26  CA  CYS    14      -6.779  -3.581   1.137          0.088
+ATOM     27  CB  CYS    14      -7.947  -3.798   0.766          0.019
+ATOM     28  CA  ALA    15      -7.872  -2.051   4.448          0.027
+ATOM     29  CB  ALA    15      -7.283  -2.068   4.821          0.070
+ATOM     30  CA  ALA    16     -11.397  -0.552   4.289          0.066
+ATOM     31  CB  ALA    16     -12.013  -0.957   4.139          0.041
+ATOM     32  CA  ALA    17     -11.414   0.347   7.938          0.023
+ATOM     33  CB  ALA    17     -11.229   0.022   8.549          0.067
+ATOM     34  CA  GLY    18      -9.497   3.560   7.279          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  843.80                                       ENERGY    -7.11669E+00
+ATOM      1  CA  GLY     1     -10.208  11.520  -7.113          0.027
+ATOM      2  CA  ALA     2      -9.959   7.781  -6.836          0.020
+ATOM      3  CB  ALA     2      -9.227   7.804  -7.044          0.132
+ATOM      4  CA  ALA     3      -9.890   5.423  -3.852          0.019
+ATOM      5  CB  ALA     3     -10.704   5.487  -3.927          0.083
+ATOM      6  CA  ALA     4      -8.426   1.870  -4.529          0.048
+ATOM      7  CB  ALA     4      -7.791   1.906  -4.993          0.065
+ATOM      8  CA  CYS     5      -9.340   0.734  -1.031          0.020
+ATOM      9  CB  CYS     5      -9.798   1.840  -0.714          0.088
+ATOM     10  CA  ALA     6     -11.851  -1.909   0.044          0.005
+ATOM     11  CB  ALA     6     -12.306  -2.043   0.634          0.005
+ATOM     12  CA  ALA     7     -12.629  -2.613  -3.557          0.013
+ATOM     13  CB  ALA     7     -12.798  -2.237  -4.084          0.156
+ATOM     14  CA  ALA     8      -9.489  -4.349  -4.664          0.013
+ATOM     15  CB  ALA     8      -8.791  -4.179  -4.521          0.012
+ATOM     16  CA  ALA     9     -10.252  -7.177  -2.311          0.029
+ATOM     17  CB  ALA     9     -10.883  -7.386  -2.072          0.041
+ATOM     18  CA  ALA    10      -8.555  -9.745  -4.523          0.006
+ATOM     19  CB  ALA    10      -8.420  -9.662  -5.193          0.021
+ATOM     20  CA  ALA    11      -5.936 -10.256  -1.809          0.003
+ATOM     21  CB  ALA    11      -5.880 -11.034  -1.737          0.055
+ATOM     22  CA  ALA    12      -3.787  -7.319  -3.176          0.001
+ATOM     23  CB  ALA    12      -4.102  -6.884  -3.719          0.051
+ATOM     24  CA  ALA    13      -3.894  -5.573   0.128          0.021
+ATOM     25  CB  ALA    13      -3.329  -5.150   0.465          0.051
+ATOM     26  CA  CYS    14      -7.153  -3.732   0.775          0.003
+ATOM     27  CB  CYS    14      -8.143  -4.509   0.845          0.019
+ATOM     28  CA  ALA    15      -7.401  -1.638   3.943          0.007
+ATOM     29  CB  ALA    15      -7.073  -0.965   3.880          0.073
+ATOM     30  CA  ALA    16     -10.992  -0.590   4.632          0.071
+ATOM     31  CB  ALA    16     -11.593  -0.979   4.589          0.007
+ATOM     32  CA  ALA    17     -10.377  -0.339   8.352          0.050
+ATOM     33  CB  ALA    17      -9.881  -0.410   8.876          0.277
+ATOM     34  CA  GLY    18      -9.628   3.473   8.117          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  848.80                                       ENERGY    -4.84017E+00
+ATOM      1  CA  GLY     1      -9.131  11.297  -7.093          0.038
+ATOM      2  CA  ALA     2      -9.814   7.548  -7.421          0.001
+ATOM      3  CB  ALA     2      -9.256   7.023  -7.673          0.017
+ATOM      4  CA  ALA     3     -10.140   5.655  -4.178          0.001
+ATOM      5  CB  ALA     3     -10.866   5.545  -4.024          0.155
+ATOM      6  CA  ALA     4      -8.677   2.042  -4.272          0.042
+ATOM      7  CB  ALA     4      -8.057   2.229  -4.606          0.066
+ATOM      8  CA  CYS     5     -10.196   0.997  -0.956          0.022
+ATOM      9  CB  CYS     5     -11.143   1.591  -0.333          0.026
+ATOM     10  CA  ALA     6     -12.288  -2.171  -0.503          0.041
+ATOM     11  CB  ALA     6     -12.553  -2.222   0.147          0.041
+ATOM     12  CA  ALA     7     -12.463  -2.547  -4.215          0.059
+ATOM     13  CB  ALA     7     -12.574  -1.946  -4.718          0.029
+ATOM     14  CA  ALA     8      -9.144  -4.468  -4.317          0.015
+ATOM     15  CB  ALA     8      -8.675  -4.042  -3.962          0.117
+ATOM     16  CA  ALA     9     -11.075  -7.335  -2.774          0.041
+ATOM     17  CB  ALA     9     -11.720  -7.447  -2.431          0.036
+ATOM     18  CA  ALA    10      -8.549  -9.776  -4.178          0.019
+ATOM     19  CB  ALA    10      -8.395  -9.451  -4.913          0.048
+ATOM     20  CA  ALA    11      -5.639 -10.143  -1.740          0.008
+ATOM     21  CB  ALA    11      -5.111 -10.658  -1.572          0.034
+ATOM     22  CA  ALA    12      -3.832  -7.373  -3.532          0.007
+ATOM     23  CB  ALA    12      -4.144  -7.020  -4.153          0.040
+ATOM     24  CA  ALA    13      -3.965  -5.298  -0.327          0.002
+ATOM     25  CB  ALA    13      -3.317  -4.988  -0.501          0.078
+ATOM     26  CA  CYS    14      -7.092  -4.127   1.608          0.018
+ATOM     27  CB  CYS    14      -8.259  -4.494   1.357          0.008
+ATOM     28  CA  ALA    15      -7.338  -0.920   3.627          0.044
+ATOM     29  CB  ALA    15      -7.135  -0.266   3.421          0.043
+ATOM     30  CA  ALA    16     -10.662  -0.736   5.445          0.019
+ATOM     31  CB  ALA    16     -11.310  -1.088   5.305          0.066
+ATOM     32  CA  ALA    17      -8.858  -0.467   8.829          0.024
+ATOM     33  CB  ALA    17      -8.254  -0.756   8.440          0.120
+ATOM     34  CA  GLY    18      -9.630   3.196   9.097          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  853.80                                       ENERGY    -9.01315E+00
+ATOM      1  CA  GLY     1      -8.492  11.102  -7.605          0.036
+ATOM      2  CA  ALA     2      -9.214   7.426  -7.360          0.005
+ATOM      3  CB  ALA     2      -8.931   6.955  -7.920          0.012
+ATOM      4  CA  ALA     3     -10.826   5.393  -4.626          0.046
+ATOM      5  CB  ALA     3     -11.551   5.474  -4.372          0.126
+ATOM      6  CA  ALA     4      -9.488   1.883  -3.733          0.028
+ATOM      7  CB  ALA     4      -8.807   1.575  -3.670          0.244
+ATOM      8  CA  CYS     5     -10.663   0.660  -0.358          0.046
+ATOM      9  CB  CYS     5     -11.397   1.692  -0.581          0.003
+ATOM     10  CA  ALA     6     -12.991  -2.317  -0.920          0.033
+ATOM     11  CB  ALA     6     -13.639  -2.091  -0.995          0.153
+ATOM     12  CA  ALA     7     -12.305  -2.204  -4.573          0.012
+ATOM     13  CB  ALA     7     -12.273  -1.565  -4.932          0.082
+ATOM     14  CA  ALA     8      -9.132  -4.214  -3.914          0.020
+ATOM     15  CB  ALA     8      -8.451  -4.358  -3.666          0.084
+ATOM     16  CA  ALA     9     -11.222  -7.144  -2.601          0.011
+ATOM     17  CB  ALA     9     -11.877  -7.544  -2.746          0.028
+ATOM     18  CA  ALA    10      -8.646  -9.731  -3.673          0.005
+ATOM     19  CB  ALA    10      -8.602  -9.940  -4.422          0.021
+ATOM     20  CA  ALA    11      -5.303 -10.362  -1.977          0.017
+ATOM     21  CB  ALA    11      -4.813 -10.973  -1.919          0.046
+ATOM     22  CA  ALA    12      -3.729  -7.329  -3.572          0.015
+ATOM     23  CB  ALA    12      -4.130  -7.199  -4.181          0.019
+ATOM     24  CA  ALA    13      -4.166  -4.608  -0.908          0.024
+ATOM     25  CB  ALA    13      -4.055  -3.896  -0.824          0.034
+ATOM     26  CA  CYS    14      -7.102  -4.105   1.509          0.031
+ATOM     27  CB  CYS    14      -8.180  -4.205   1.023          0.023
+ATOM     28  CA  ALA    15      -7.206  -0.767   3.341          0.034
+ATOM     29  CB  ALA    15      -7.178  -0.208   2.844          0.021
+ATOM     30  CA  ALA    16     -10.052  -0.699   5.938          0.061
+ATOM     31  CB  ALA    16     -10.491  -1.287   6.037          0.119
+ATOM     32  CA  ALA    17      -7.724  -0.463   8.931          0.018
+ATOM     33  CB  ALA    17      -7.057  -0.687   9.273          0.013
+ATOM     34  CA  GLY    18      -9.549   2.611  10.280          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  858.80                                       ENERGY    -3.09031E+00
+ATOM      1  CA  GLY     1      -8.183  10.577  -7.961          0.005
+ATOM      2  CA  ALA     2      -9.200   7.016  -7.393          0.062
+ATOM      3  CB  ALA     2      -8.614   6.694  -7.495          0.060
+ATOM      4  CA  ALA     3     -10.813   4.928  -4.568          0.034
+ATOM      5  CB  ALA     3     -11.485   5.017  -4.620          0.010
+ATOM      6  CA  ALA     4      -9.732   1.359  -3.907          0.072
+ATOM      7  CB  ALA     4      -9.021   1.581  -4.122          0.038
+ATOM      8  CA  CYS     5     -11.458   0.820  -0.575          0.040
+ATOM      9  CB  CYS     5     -12.032   1.627   0.184          0.060
+ATOM     10  CA  ALA     6     -13.844  -1.932  -1.682          0.001
+ATOM     11  CB  ALA     6     -14.578  -2.134  -1.449          0.072
+ATOM     12  CA  ALA     7     -11.961  -2.284  -4.990          0.012
+ATOM     13  CB  ALA     7     -11.719  -1.852  -5.594          0.015
+ATOM     14  CA  ALA     8      -9.162  -4.360  -3.458          0.062
+ATOM     15  CB  ALA     8      -8.525  -4.108  -3.265          0.061
+ATOM     16  CA  ALA     9     -11.318  -7.193  -2.241          0.024
+ATOM     17  CB  ALA     9     -11.988  -6.965  -2.486          0.091
+ATOM     18  CA  ALA    10      -8.681  -9.818  -3.304          0.004
+ATOM     19  CB  ALA    10      -8.415  -9.906  -4.048          0.016
+ATOM     20  CA  ALA    11      -5.125 -10.416  -2.117          0.003
+ATOM     21  CB  ALA    11      -4.944 -11.085  -2.355          0.023
+ATOM     22  CA  ALA    12      -4.058  -7.012  -3.615          0.021
+ATOM     23  CB  ALA    12      -4.297  -6.715  -4.183          0.025
+ATOM     24  CA  ALA    13      -4.190  -4.087  -1.216          0.033
+ATOM     25  CB  ALA    13      -3.751  -3.656  -1.617          0.005
+ATOM     26  CA  CYS    14      -7.239  -3.553   0.993          0.012
+ATOM     27  CB  CYS    14      -8.462  -3.467   0.689          0.021
+ATOM     28  CA  ALA    15      -6.959  -0.941   3.709          0.036
+ATOM     29  CB  ALA    15      -6.694  -0.245   3.760          0.071
+ATOM     30  CA  ALA    16      -9.585  -0.970   6.410          0.053
+ATOM     31  CB  ALA    16     -10.205  -1.401   6.567          0.019
+ATOM     32  CA  ALA    17      -6.852  -0.431   8.948          0.036
+ATOM     33  CB  ALA    17      -6.287  -0.247   8.562          0.009
+ATOM     34  CA  GLY    18      -8.891   1.801  11.213          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  863.80                                       ENERGY    -1.08264E+01
+ATOM      1  CA  GLY     1      -8.914   9.809  -7.947          0.053
+ATOM      2  CA  ALA     2      -8.734   6.111  -7.315          0.019
+ATOM      3  CB  ALA     2      -8.023   6.042  -7.145          0.053
+ATOM      4  CA  ALA     3     -11.047   5.363  -4.447          0.017
+ATOM      5  CB  ALA     3     -11.756   5.127  -4.365          0.007
+ATOM      6  CA  ALA     4      -9.795   1.785  -3.906          0.016
+ATOM      7  CB  ALA     4      -9.366   1.219  -3.754          0.098
+ATOM      8  CA  CYS     5     -11.470  -0.115  -0.994          0.010
+ATOM      9  CB  CYS     5     -11.905   1.008  -0.697          0.136
+ATOM     10  CA  ALA     6     -14.107  -2.516  -2.164          0.024
+ATOM     11  CB  ALA     6     -14.810  -2.403  -2.543          0.045
+ATOM     12  CA  ALA     7     -12.503  -2.795  -5.571          0.048
+ATOM     13  CB  ALA     7     -12.172  -2.210  -5.587          0.058
+ATOM     14  CA  ALA     8      -9.365  -4.189  -3.968          0.025
+ATOM     15  CB  ALA     8      -8.708  -3.865  -3.908          0.114
+ATOM     16  CA  ALA     9     -11.194  -6.725  -1.919          0.011
+ATOM     17  CB  ALA     9     -11.813  -6.375  -1.818          0.073
+ATOM     18  CA  ALA    10      -9.065  -9.558  -3.271          0.010
+ATOM     19  CB  ALA    10      -9.117  -9.695  -4.023          0.101
+ATOM     20  CA  ALA    11      -5.449  -9.866  -2.238          0.051
+ATOM     21  CB  ALA    11      -4.930 -10.262  -2.245          0.017
+ATOM     22  CA  ALA    12      -4.565  -6.662  -4.106          0.012
+ATOM     23  CB  ALA    12      -4.993  -6.411  -4.637          0.195
+ATOM     24  CA  ALA    13      -4.223  -4.312  -1.095          0.011
+ATOM     25  CB  ALA    13      -3.881  -3.824  -1.504          0.017
+ATOM     26  CA  CYS    14      -6.970  -2.947   1.073          0.022
+ATOM     27  CB  CYS    14      -8.092  -2.843   0.512          0.014
+ATOM     28  CA  ALA    15      -6.451  -0.767   4.151          0.019
+ATOM     29  CB  ALA    15      -6.328  -0.034   4.203          0.023
+ATOM     30  CA  ALA    16      -8.992  -0.895   7.001          0.028
+ATOM     31  CB  ALA    16      -9.353  -1.456   7.242          0.149
+ATOM     32  CA  ALA    17      -6.279  -0.271   9.545          0.061
+ATOM     33  CB  ALA    17      -5.686  -0.024   9.093          0.098
+ATOM     34  CA  GLY    18      -8.622   1.265  12.152          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  868.78                                       ENERGY    -8.38089E+00
+ATOM      1  CA  GLY     1      -9.610   8.858  -8.511          0.027
+ATOM      2  CA  ALA     2      -8.504   5.785  -6.612          0.001
+ATOM      3  CB  ALA     2      -7.813   5.914  -6.354          0.070
+ATOM      4  CA  ALA     3     -10.951   4.719  -4.022          0.021
+ATOM      5  CB  ALA     3     -11.419   5.352  -4.055          0.093
+ATOM      6  CA  ALA     4      -9.920   1.155  -4.752          0.054
+ATOM      7  CB  ALA     4      -9.305   1.145  -5.123          0.062
+ATOM      8  CA  CYS     5     -11.273  -0.500  -1.542          0.062
+ATOM      9  CB  CYS     5     -12.340   0.056  -1.232          0.008
+ATOM     10  CA  ALA     6     -13.981  -3.049  -2.433          0.010
+ATOM     11  CB  ALA     6     -14.576  -3.335  -2.049          0.192
+ATOM     12  CA  ALA     7     -12.840  -3.142  -5.984          0.011
+ATOM     13  CB  ALA     7     -13.066  -2.536  -6.412          0.125
+ATOM     14  CA  ALA     8      -9.294  -3.951  -4.974          0.024
+ATOM     15  CB  ALA     8      -8.875  -3.429  -4.610          0.187
+ATOM     16  CA  ALA     9     -10.390  -5.655  -1.714          0.033
+ATOM     17  CB  ALA     9     -11.096  -5.761  -1.517          0.074
+ATOM     18  CA  ALA    10      -9.889  -9.070  -3.230          0.035
+ATOM     19  CB  ALA    10     -10.054  -9.377  -3.769          0.050
+ATOM     20  CA  ALA    11      -6.141  -9.351  -2.604          0.013
+ATOM     21  CB  ALA    11      -5.400  -9.457  -2.465          0.038
+ATOM     22  CA  ALA    12      -5.461  -6.075  -4.340          0.011
+ATOM     23  CB  ALA    12      -5.867  -6.031  -4.940          0.085
+ATOM     24  CA  ALA    13      -4.254  -4.407  -1.079          0.014
+ATOM     25  CB  ALA    13      -3.677  -3.958  -0.909          0.010
+ATOM     26  CA  CYS    14      -6.690  -2.584   1.166          0.011
+ATOM     27  CB  CYS    14      -7.849  -2.479   0.670          0.027
+ATOM     28  CA  ALA    15      -6.092  -0.702   4.386          0.019
+ATOM     29  CB  ALA    15      -5.728  -0.051   4.368          0.017
+ATOM     30  CA  ALA    16      -8.146  -0.977   7.585          0.073
+ATOM     31  CB  ALA    16      -8.759  -1.329   7.777          0.015
+ATOM     32  CA  ALA    17      -5.689   0.112  10.391          0.056
+ATOM     33  CB  ALA    17      -5.155   0.599  10.602          0.039
+ATOM     34  CA  GLY    18      -8.560   0.875  12.779          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  873.73                                       ENERGY    -8.84751E+00
+ATOM      1  CA  GLY     1     -10.077   8.137  -8.944          0.010
+ATOM      2  CA  ALA     2      -8.152   6.254  -6.208          0.035
+ATOM      3  CB  ALA     2      -7.577   6.259  -5.685          0.032
+ATOM      4  CA  ALA     3     -10.703   4.466  -3.987          0.014
+ATOM      5  CB  ALA     3     -11.199   3.997  -3.755          0.034
+ATOM      6  CA  ALA     4     -10.658   0.877  -5.261          0.073
+ATOM      7  CB  ALA     4     -10.161   0.726  -5.723          0.073
+ATOM      8  CA  CYS     5     -11.791  -0.643  -1.958          0.009
+ATOM      9  CB  CYS     5     -12.495   0.362  -1.528          0.041
+ATOM     10  CA  ALA     6     -14.073  -3.618  -2.335          0.088
+ATOM     11  CB  ALA     6     -14.737  -3.546  -2.163          0.023
+ATOM     12  CA  ALA     7     -12.953  -4.313  -5.916          0.013
+ATOM     13  CB  ALA     7     -13.332  -4.040  -6.513          0.093
+ATOM     14  CA  ALA     8      -9.244  -3.660  -5.262          0.052
+ATOM     15  CB  ALA     8      -8.826  -3.153  -5.574          0.041
+ATOM     16  CA  ALA     9      -9.414  -5.316  -1.823          0.006
+ATOM     17  CB  ALA     9      -9.848  -5.167  -1.247          0.043
+ATOM     18  CA  ALA    10     -10.358  -8.361  -3.765          0.042
+ATOM     19  CB  ALA    10     -10.649  -8.079  -4.420          0.212
+ATOM     20  CA  ALA    11      -6.784  -9.060  -2.781          0.059
+ATOM     21  CB  ALA    11      -6.469  -9.709  -2.742          0.062
+ATOM     22  CA  ALA    12      -5.432  -6.026  -4.539          0.032
+ATOM     23  CB  ALA    12      -5.976  -6.137  -5.003          0.004
+ATOM     24  CA  ALA    13      -4.640  -4.252  -1.262          0.004
+ATOM     25  CB  ALA    13      -4.066  -3.834  -1.381          0.038
+ATOM     26  CA  CYS    14      -6.792  -2.595   1.429          0.002
+ATOM     27  CB  CYS    14      -7.821  -2.073   0.952          0.030
+ATOM     28  CA  ALA    15      -5.495  -1.151   4.676          0.030
+ATOM     29  CB  ALA    15      -5.005  -0.528   4.816          0.080
+ATOM     30  CA  ALA    16      -7.194  -0.515   8.058          0.046
+ATOM     31  CB  ALA    16      -7.587  -1.219   8.083          0.063
+ATOM     32  CA  ALA    17      -5.539   0.896  11.217          0.011
+ATOM     33  CB  ALA    17      -4.976   1.283  11.402          0.112
+ATOM     34  CA  GLY    18      -8.539   0.298  13.540          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  878.73                                       ENERGY    -6.41951E+00
+ATOM      1  CA  GLY     1     -10.166   7.489  -8.440          0.004
+ATOM      2  CA  ALA     2      -7.927   6.141  -5.827          0.058
+ATOM      3  CB  ALA     2      -7.737   6.864  -5.730          0.090
+ATOM      4  CA  ALA     3     -11.035   4.627  -4.181          0.074
+ATOM      5  CB  ALA     3     -11.150   5.294  -3.900          0.007
+ATOM      6  CA  ALA     4     -11.491   1.319  -5.978          0.079
+ATOM      7  CB  ALA     4     -11.313   0.673  -6.322          0.086
+ATOM      8  CA  CYS     5     -12.442  -0.501  -2.787          0.044
+ATOM      9  CB  CYS     5     -12.247   0.250  -1.821          0.031
+ATOM     10  CA  ALA     6     -14.335  -3.824  -2.596          0.014
+ATOM     11  CB  ALA     6     -14.870  -4.274  -2.233          0.060
+ATOM     12  CA  ALA     7     -12.832  -4.892  -5.942          0.017
+ATOM     13  CB  ALA     7     -13.167  -4.897  -6.546          0.008
+ATOM     14  CA  ALA     8      -9.411  -3.523  -5.004          0.018
+ATOM     15  CB  ALA     8      -9.150  -2.950  -4.625          0.027
+ATOM     16  CA  ALA     9      -9.808  -5.099  -1.599          0.038
+ATOM     17  CB  ALA     9     -10.300  -4.558  -1.380          0.021
+ATOM     18  CA  ALA    10     -10.363  -8.092  -3.909          0.011
+ATOM     19  CB  ALA    10     -10.425  -8.207  -4.612          0.195
+ATOM     20  CA  ALA    11      -6.906  -9.390  -3.082          0.007
+ATOM     21  CB  ALA    11      -6.554  -9.890  -3.435          0.097
+ATOM     22  CA  ALA    12      -5.428  -6.267  -4.617          0.026
+ATOM     23  CB  ALA    12      -5.661  -5.794  -5.199          0.035
+ATOM     24  CA  ALA    13      -4.896  -4.456  -1.260          0.020
+ATOM     25  CB  ALA    13      -4.389  -4.250  -1.749          0.039
+ATOM     26  CA  CYS    14      -6.506  -2.573   1.659          0.035
+ATOM     27  CB  CYS    14      -7.497  -1.887   1.475          0.026
+ATOM     28  CA  ALA    15      -4.829  -1.483   4.982          0.018
+ATOM     29  CB  ALA    15      -4.137  -1.331   4.830          0.030
+ATOM     30  CA  ALA    16      -6.280  -0.474   8.332          0.013
+ATOM     31  CB  ALA    16      -6.699  -0.661   8.907          0.037
+ATOM     32  CA  ALA    17      -5.307   1.230  11.614          0.014
+ATOM     33  CB  ALA    17      -5.309   2.032  11.747          0.027
+ATOM     34  CA  GLY    18      -8.346   0.171  13.499          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  883.73                                       ENERGY    -7.23738E+00
+ATOM      1  CA  GLY     1     -10.228   7.772  -8.656          0.008
+ATOM      2  CA  ALA     2      -8.084   6.205  -5.922          0.019
+ATOM      3  CB  ALA     2      -7.873   6.249  -5.321          0.057
+ATOM      4  CA  ALA     3     -11.176   4.696  -4.243          0.024
+ATOM      5  CB  ALA     3     -11.897   4.948  -4.101          0.145
+ATOM      6  CA  ALA     4     -12.478   1.770  -6.168          0.038
+ATOM      7  CB  ALA     4     -12.198   2.340  -6.644          0.057
+ATOM      8  CA  CYS     5     -12.532  -0.294  -3.039          0.050
+ATOM      9  CB  CYS     5     -12.406   0.329  -1.992          0.004
+ATOM     10  CA  ALA     6     -14.765  -3.423  -3.271          0.058
+ATOM     11  CB  ALA     6     -15.457  -3.592  -3.481          0.051
+ATOM     12  CA  ALA     7     -12.810  -4.911  -6.064          0.005
+ATOM     13  CB  ALA     7     -12.872  -4.568  -6.800          0.053
+ATOM     14  CA  ALA     8      -9.508  -3.743  -4.624          0.017
+ATOM     15  CB  ALA     8      -9.563  -3.065  -4.885          0.107
+ATOM     16  CA  ALA     9     -10.019  -5.533  -1.302          0.024
+ATOM     17  CB  ALA     9     -10.528  -5.396  -0.761          0.078
+ATOM     18  CA  ALA    10     -10.352  -8.808  -3.079          0.015
+ATOM     19  CB  ALA    10     -10.730  -9.347  -3.465          0.045
+ATOM     20  CA  ALA    11      -6.649  -8.969  -3.840          0.049
+ATOM     21  CB  ALA    11      -6.227  -9.552  -3.958          0.036
+ATOM     22  CA  ALA    12      -5.601  -5.357  -4.401          0.051
+ATOM     23  CB  ALA    12      -6.070  -4.975  -4.831          0.034
+ATOM     24  CA  ALA    13      -4.445  -4.871  -0.830          0.022
+ATOM     25  CB  ALA    13      -3.694  -4.737  -0.623          0.020
+ATOM     26  CA  CYS    14      -6.051  -2.968   2.077          0.027
+ATOM     27  CB  CYS    14      -7.151  -2.492   1.705          0.077
+ATOM     28  CA  ALA    15      -4.143  -1.826   5.145          0.017
+ATOM     29  CB  ALA    15      -3.553  -1.417   5.181          0.021
+ATOM     30  CA  ALA    16      -6.017  -0.521   8.235          0.033
+ATOM     31  CB  ALA    16      -6.544  -1.010   8.157          0.011
+ATOM     32  CA  ALA    17      -4.927   1.513  11.257          0.014
+ATOM     33  CB  ALA    17      -4.809   2.183  11.477          0.040
+ATOM     34  CA  GLY    18      -7.974   0.492  13.315          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  888.73                                       ENERGY    -1.08720E+01
+ATOM      1  CA  GLY     1     -10.090   8.561  -7.955          0.034
+ATOM      2  CA  ALA     2      -8.666   5.667  -5.947          0.016
+ATOM      3  CB  ALA     2      -7.994   5.404  -6.296          0.069
+ATOM      4  CA  ALA     3     -11.895   5.020  -3.964          0.031
+ATOM      5  CB  ALA     3     -12.524   5.390  -3.782          0.101
+ATOM      6  CA  ALA     4     -13.197   2.324  -6.207          0.047
+ATOM      7  CB  ALA     4     -12.898   2.188  -6.852          0.161
+ATOM      8  CA  CYS     5     -12.496  -0.343  -3.555          0.015
+ATOM      9  CB  CYS     5     -12.206   0.181  -2.473          0.032
+ATOM     10  CA  ALA     6     -15.249  -2.880  -3.896          0.040
+ATOM     11  CB  ALA     6     -15.854  -2.624  -4.126          0.033
+ATOM     12  CA  ALA     7     -12.892  -5.201  -5.750          0.002
+ATOM     13  CB  ALA     7     -12.506  -5.512  -6.305          0.026
+ATOM     14  CA  ALA     8      -9.899  -3.662  -3.935          0.020
+ATOM     15  CB  ALA     8      -9.430  -3.055  -3.877          0.145
+ATOM     16  CA  ALA     9     -10.581  -5.787  -0.969          0.021
+ATOM     17  CB  ALA     9     -11.241  -5.791  -0.679          0.005
+ATOM     18  CA  ALA    10     -10.502  -8.862  -3.178          0.024
+ATOM     19  CB  ALA    10     -11.054  -8.584  -3.553          0.056
+ATOM     20  CA  ALA    11      -6.765  -8.637  -3.684          0.010
+ATOM     21  CB  ALA    11      -6.364  -8.906  -4.244          0.054
+ATOM     22  CA  ALA    12      -4.782  -5.422  -4.341          0.095
+ATOM     23  CB  ALA    12      -5.040  -4.768  -4.199          0.066
+ATOM     24  CA  ALA    13      -3.538  -4.954  -0.850          0.057
+ATOM     25  CB  ALA    13      -2.801  -5.004  -0.754          0.081
+ATOM     26  CA  CYS    14      -5.586  -3.526   2.001          0.007
+ATOM     27  CB  CYS    14      -6.714  -3.075   1.929          0.006
+ATOM     28  CA  ALA    15      -4.015  -1.916   5.082          0.012
+ATOM     29  CB  ALA    15      -3.377  -1.513   4.938          0.047
+ATOM     30  CA  ALA    16      -6.095  -0.588   7.866          0.001
+ATOM     31  CB  ALA    16      -6.597  -0.989   8.174          0.010
+ATOM     32  CA  ALA    17      -4.869   1.062  11.120          0.047
+ATOM     33  CB  ALA    17      -4.304   1.396  10.821          0.063
+ATOM     34  CA  GLY    18      -7.420   2.059  13.747          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  893.73                                       ENERGY    -1.58468E+01
+ATOM      1  CA  GLY     1      -9.957   8.959  -6.842          0.015
+ATOM      2  CA  ALA     2      -9.459   5.197  -6.525          0.087
+ATOM      3  CB  ALA     2      -9.059   4.859  -6.081          0.158
+ATOM      4  CA  ALA     3     -12.467   5.036  -4.163          0.042
+ATOM      5  CB  ALA     3     -12.158   5.726  -4.058          0.080
+ATOM      6  CA  ALA     4     -14.149   2.178  -6.153          0.031
+ATOM      7  CB  ALA     4     -14.121   2.390  -6.815          0.201
+ATOM      8  CA  CYS     5     -12.143  -0.014  -3.794          0.017
+ATOM      9  CB  CYS     5     -12.080   0.739  -2.803          0.012
+ATOM     10  CA  ALA     6     -14.938  -2.569  -4.031          0.017
+ATOM     11  CB  ALA     6     -15.324  -2.637  -4.669          0.099
+ATOM     12  CA  ALA     7     -12.471  -4.945  -5.738          0.011
+ATOM     13  CB  ALA     7     -12.720  -4.755  -6.446          0.082
+ATOM     14  CA  ALA     8      -9.691  -3.629  -3.424          0.063
+ATOM     15  CB  ALA     8      -9.796  -3.148  -2.863          0.130
+ATOM     16  CA  ALA     9     -10.943  -6.056  -0.785          0.007
+ATOM     17  CB  ALA     9     -11.334  -5.988  -0.186          0.194
+ATOM     18  CA  ALA    10     -10.687  -8.947  -3.248          0.018
+ATOM     19  CB  ALA    10     -10.929  -8.941  -3.931          0.015
+ATOM     20  CA  ALA    11      -6.985  -8.566  -3.359          0.022
+ATOM     21  CB  ALA    11      -6.761  -9.099  -3.838          0.035
+ATOM     22  CA  ALA    12      -4.981  -5.399  -4.006          0.016
+ATOM     23  CB  ALA    12      -5.332  -4.818  -4.374          0.014
+ATOM     24  CA  ALA    13      -2.738  -5.256  -1.017          0.042
+ATOM     25  CB  ALA    13      -1.990  -5.180  -1.059          0.085
+ATOM     26  CA  CYS    14      -4.792  -3.555   1.735          0.011
+ATOM     27  CB  CYS    14      -6.014  -3.534   1.354          0.024
+ATOM     28  CA  ALA    15      -4.165  -2.173   5.185          0.005
+ATOM     29  CB  ALA    15      -3.548  -1.899   5.481          0.181
+ATOM     30  CA  ALA    16      -6.317  -0.615   7.878          0.014
+ATOM     31  CB  ALA    16      -6.981  -0.982   8.051          0.011
+ATOM     32  CA  ALA    17      -4.911   0.739  11.103          0.023
+ATOM     33  CB  ALA    17      -4.200   0.944  11.046          0.046
+ATOM     34  CA  GLY    18      -6.153   3.466  13.516          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  898.73                                       ENERGY    -1.38228E+01
+ATOM      1  CA  GLY     1      -8.659   8.747  -6.357          0.009
+ATOM      2  CA  ALA     2     -10.378   5.404  -6.897          0.154
+ATOM      3  CB  ALA     2     -10.094   4.980  -6.333          0.041
+ATOM      4  CA  ALA     3     -13.257   5.750  -4.464          0.036
+ATOM      5  CB  ALA     3     -13.904   5.683  -4.152          0.165
+ATOM      6  CA  ALA     4     -14.654   2.465  -5.887          0.011
+ATOM      7  CB  ALA     4     -14.426   2.192  -6.610          0.017
+ATOM      8  CA  CYS     5     -12.357   0.414  -3.690          0.062
+ATOM      9  CB  CYS     5     -12.581   1.442  -2.973          0.020
+ATOM     10  CA  ALA     6     -14.419  -2.759  -3.809          0.041
+ATOM     11  CB  ALA     6     -15.166  -2.541  -3.709          0.173
+ATOM     12  CA  ALA     7     -11.762  -4.437  -5.883          0.008
+ATOM     13  CB  ALA     7     -11.197  -4.413  -6.292          0.058
+ATOM     14  CA  ALA     8      -9.326  -3.841  -2.939          0.021
+ATOM     15  CB  ALA     8      -9.401  -3.118  -3.168          0.131
+ATOM     16  CA  ALA     9     -11.163  -6.433  -0.779          0.031
+ATOM     17  CB  ALA     9     -11.863  -6.338  -0.667          0.033
+ATOM     18  CA  ALA    10     -10.981  -9.120  -3.558          0.028
+ATOM     19  CB  ALA    10     -11.205  -8.927  -4.271          0.055
+ATOM     20  CA  ALA    11      -7.238  -9.137  -3.213          0.053
+ATOM     21  CB  ALA    11      -6.709  -9.689  -3.282          0.032
+ATOM     22  CA  ALA    12      -5.103  -6.058  -3.784          0.018
+ATOM     23  CB  ALA    12      -5.539  -5.396  -3.867          0.117
+ATOM     24  CA  ALA    13      -2.727  -5.228  -1.016          0.017
+ATOM     25  CB  ALA    13      -2.160  -4.792  -1.156          0.030
+ATOM     26  CA  CYS    14      -4.156  -3.087   1.718          0.007
+ATOM     27  CB  CYS    14      -5.207  -3.575   1.144          0.037
+ATOM     28  CA  ALA    15      -4.263  -2.881   5.524          0.004
+ATOM     29  CB  ALA    15      -3.680  -2.894   5.998          0.072
+ATOM     30  CA  ALA    16      -6.201  -0.312   7.575          0.015
+ATOM     31  CB  ALA    16      -6.923  -0.314   7.458          0.080
+ATOM     32  CA  ALA    17      -4.630   0.649  10.945          0.011
+ATOM     33  CB  ALA    17      -3.925   0.701  10.853          0.048
+ATOM     34  CA  GLY    18      -5.488   3.678  13.011          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  903.67                                       ENERGY    -1.02897E+01
+ATOM      1  CA  GLY     1      -7.832   7.890  -5.900          0.113
+ATOM      2  CA  ALA     2     -11.251   6.377  -6.558          0.035
+ATOM      3  CB  ALA     2     -11.184   5.668  -6.498          0.189
+ATOM      4  CA  ALA     3     -14.591   5.555  -4.846          0.033
+ATOM      5  CB  ALA     3     -14.551   6.197  -5.291          0.012
+ATOM      6  CA  ALA     4     -14.682   1.975  -6.243          0.008
+ATOM      7  CB  ALA     4     -14.888   1.363  -6.631          0.079
+ATOM      8  CA  CYS     5     -12.507   0.857  -3.406          0.003
+ATOM      9  CB  CYS     5     -12.660   1.760  -2.570          0.014
+ATOM     10  CA  ALA     6     -14.156  -2.566  -3.373          0.030
+ATOM     11  CB  ALA     6     -14.844  -2.796  -3.557          0.076
+ATOM     12  CA  ALA     7     -11.395  -3.952  -5.672          0.052
+ATOM     13  CB  ALA     7     -10.956  -4.005  -6.281          0.142
+ATOM     14  CA  ALA     8      -8.903  -3.624  -2.762          0.025
+ATOM     15  CB  ALA     8      -8.793  -3.351  -2.078          0.029
+ATOM     16  CA  ALA     9     -10.887  -6.277  -0.965          0.098
+ATOM     17  CB  ALA     9     -11.661  -6.063  -0.889          0.016
+ATOM     18  CA  ALA    10     -11.006  -8.618  -3.986          0.037
+ATOM     19  CB  ALA    10     -10.983  -8.231  -4.636          0.074
+ATOM     20  CA  ALA    11      -7.506  -9.705  -3.127          0.021
+ATOM     21  CB  ALA    11      -7.225 -10.428  -3.227          0.063
+ATOM     22  CA  ALA    12      -5.068  -6.746  -2.955          0.021
+ATOM     23  CB  ALA    12      -5.481  -6.244  -3.269          0.040
+ATOM     24  CA  ALA    13      -2.381  -5.239  -0.869          0.006
+ATOM     25  CB  ALA    13      -1.722  -5.129  -1.192          0.053
+ATOM     26  CA  CYS    14      -4.492  -3.049   1.407          0.022
+ATOM     27  CB  CYS    14      -5.672  -3.460   1.691          0.006
+ATOM     28  CA  ALA    15      -4.354  -3.169   5.182          0.040
+ATOM     29  CB  ALA    15      -3.740  -3.443   5.479          0.006
+ATOM     30  CA  ALA    16      -5.260   0.088   6.893          0.009
+ATOM     31  CB  ALA    16      -5.951   0.288   7.025          0.119
+ATOM     32  CA  ALA    17      -4.378   0.512  10.528          0.010
+ATOM     33  CB  ALA    17      -3.722   0.217  10.577          0.025
+ATOM     34  CA  GLY    18      -5.551   3.426  12.699          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  908.67                                       ENERGY    -1.21786E+01
+ATOM      1  CA  GLY     1      -8.750   7.331  -4.731          0.064
+ATOM      2  CA  ALA     2     -11.687   5.996  -6.718          0.029
+ATOM      3  CB  ALA     2     -11.441   5.658  -7.410          0.109
+ATOM      4  CA  ALA     3     -15.060   5.395  -5.182          0.017
+ATOM      5  CB  ALA     3     -15.649   5.436  -5.588          0.101
+ATOM      6  CA  ALA     4     -14.727   1.828  -6.400          0.013
+ATOM      7  CB  ALA     4     -14.376   2.134  -6.970          0.027
+ATOM      8  CA  CYS     5     -12.857   1.316  -3.071          0.029
+ATOM      9  CB  CYS     5     -13.080   2.098  -2.131          0.027
+ATOM     10  CA  ALA     6     -13.663  -2.300  -3.010          0.024
+ATOM     11  CB  ALA     6     -14.193  -2.702  -3.431          0.043
+ATOM     12  CA  ALA     7     -10.917  -3.172  -5.563          0.009
+ATOM     13  CB  ALA     7     -10.926  -3.141  -6.288          0.076
+ATOM     14  CA  ALA     8      -8.522  -3.430  -2.620          0.078
+ATOM     15  CB  ALA     8      -8.316  -2.726  -2.308          0.038
+ATOM     16  CA  ALA     9     -10.789  -6.000  -0.885          0.083
+ATOM     17  CB  ALA     9     -11.471  -6.058  -0.594          0.020
+ATOM     18  CA  ALA    10     -10.686  -8.201  -3.974          0.005
+ATOM     19  CB  ALA    10     -10.898  -7.642  -4.461          0.011
+ATOM     20  CA  ALA    11      -7.620 -10.120  -2.905          0.004
+ATOM     21  CB  ALA    11      -7.005 -10.444  -3.203          0.021
+ATOM     22  CA  ALA    12      -5.175  -7.140  -2.790          0.014
+ATOM     23  CB  ALA    12      -5.832  -6.778  -2.854          0.002
+ATOM     24  CA  ALA    13      -2.824  -6.152   0.003          0.026
+ATOM     25  CB  ALA    13      -2.121  -5.926  -0.099          0.161
+ATOM     26  CA  CYS    14      -5.029  -3.227   1.018          0.019
+ATOM     27  CB  CYS    14      -6.143  -3.780   1.159          0.050
+ATOM     28  CA  ALA    15      -3.784  -2.962   4.545          0.084
+ATOM     29  CB  ALA    15      -3.099  -3.284   4.587          0.153
+ATOM     30  CA  ALA    16      -4.439   0.185   6.585          0.039
+ATOM     31  CB  ALA    16      -4.947   0.574   6.188          0.063
+ATOM     32  CA  ALA    17      -4.305   0.217  10.427          0.002
+ATOM     33  CB  ALA    17      -3.774   0.008  10.937          0.034
+ATOM     34  CA  GLY    18      -5.345   3.341  12.234          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  913.62                                       ENERGY    -1.11971E+01
+ATOM      1  CA  GLY     1      -9.643   6.621  -3.767          0.025
+ATOM      2  CA  ALA     2     -12.048   6.564  -6.671          0.017
+ATOM      3  CB  ALA     2     -11.863   6.498  -7.346          0.016
+ATOM      4  CA  ALA     3     -15.660   5.173  -6.072          0.067
+ATOM      5  CB  ALA     3     -16.174   5.679  -6.083          0.034
+ATOM      6  CA  ALA     4     -14.597   1.532  -6.406          0.067
+ATOM      7  CB  ALA     4     -13.902   1.518  -6.655          0.174
+ATOM      8  CA  CYS     5     -12.795   1.474  -3.053          0.036
+ATOM      9  CB  CYS     5     -13.658   1.772  -2.243          0.030
+ATOM     10  CA  ALA     6     -13.523  -2.213  -2.626          0.071
+ATOM     11  CB  ALA     6     -14.265  -2.473  -2.597          0.049
+ATOM     12  CA  ALA     7     -11.021  -3.073  -5.342          0.011
+ATOM     13  CB  ALA     7     -10.730  -2.455  -5.692          0.025
+ATOM     14  CA  ALA     8      -8.201  -2.905  -2.849          0.003
+ATOM     15  CB  ALA     8      -7.894  -2.423  -2.463          0.126
+ATOM     16  CA  ALA     9     -10.106  -5.605  -0.958          0.036
+ATOM     17  CB  ALA     9     -10.814  -5.537  -0.667          0.038
+ATOM     18  CA  ALA    10     -10.498  -7.743  -4.084          0.002
+ATOM     19  CB  ALA    10     -10.243  -7.573  -4.815          0.110
+ATOM     20  CA  ALA    11      -8.017 -10.251  -2.718          0.018
+ATOM     21  CB  ALA    11      -7.926 -10.995  -2.728          0.111
+ATOM     22  CA  ALA    12      -5.326  -7.564  -3.195          0.033
+ATOM     23  CB  ALA    12      -5.610  -6.877  -3.130          0.057
+ATOM     24  CA  ALA    13      -3.611  -7.081   0.276          0.012
+ATOM     25  CB  ALA    13      -2.876  -7.075   0.317          0.092
+ATOM     26  CA  CYS    14      -4.874  -3.636   1.150          0.011
+ATOM     27  CB  CYS    14      -6.066  -3.768   1.285          0.010
+ATOM     28  CA  ALA    15      -3.160  -2.712   4.367          0.007
+ATOM     29  CB  ALA    15      -2.391  -2.747   4.263          0.127
+ATOM     30  CA  ALA    16      -4.071   0.375   6.371          0.010
+ATOM     31  CB  ALA    16      -4.584   0.951   6.338          0.026
+ATOM     32  CA  ALA    17      -4.256   0.175  10.199          0.017
+ATOM     33  CB  ALA    17      -3.695  -0.357  10.470          0.008
+ATOM     34  CA  GLY    18      -4.859   3.432  11.990          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  918.62                                       ENERGY    -7.58900E+00
+ATOM      1  CA  GLY     1     -10.634   6.089  -3.292          0.025
+ATOM      2  CA  ALA     2     -12.752   7.161  -6.334          0.040
+ATOM      3  CB  ALA     2     -12.535   6.576  -6.814          0.010
+ATOM      4  CA  ALA     3     -15.727   4.753  -6.091          0.019
+ATOM      5  CB  ALA     3     -16.326   4.598  -6.542          0.038
+ATOM      6  CA  ALA     4     -13.606   1.573  -6.346          0.018
+ATOM      7  CB  ALA     4     -13.879   1.614  -7.066          0.057
+ATOM      8  CA  CYS     5     -13.120   1.504  -2.548          0.014
+ATOM      9  CB  CYS     5     -14.229   2.001  -2.609          0.048
+ATOM     10  CA  ALA     6     -13.453  -2.263  -2.655          0.013
+ATOM     11  CB  ALA     6     -14.116  -2.666  -2.572          0.049
+ATOM     12  CA  ALA     7     -10.882  -2.530  -5.367          0.056
+ATOM     13  CB  ALA     7     -11.267  -2.114  -5.927          0.060
+ATOM     14  CA  ALA     8      -7.938  -2.798  -3.021          0.068
+ATOM     15  CB  ALA     8      -7.659  -2.147  -3.181          0.033
+ATOM     16  CA  ALA     9      -9.701  -5.302  -0.839          0.004
+ATOM     17  CB  ALA     9     -10.174  -5.057  -0.316          0.046
+ATOM     18  CA  ALA    10     -10.536  -7.360  -3.898          0.014
+ATOM     19  CB  ALA    10     -10.349  -6.690  -4.219          0.067
+ATOM     20  CA  ALA    11      -8.649 -10.480  -2.838          0.007
+ATOM     21  CB  ALA    11      -8.430 -11.085  -3.240          0.016
+ATOM     22  CA  ALA    12      -5.319  -8.648  -3.477          0.008
+ATOM     23  CB  ALA    12      -5.054  -8.385  -4.115          0.138
+ATOM     24  CA  ALA    13      -4.270  -7.293  -0.119          0.031
+ATOM     25  CB  ALA    13      -3.680  -7.618   0.264          0.025
+ATOM     26  CA  CYS    14      -4.361  -4.008   1.830          0.039
+ATOM     27  CB  CYS    14      -5.394  -3.524   1.470          0.055
+ATOM     28  CA  ALA    15      -2.976  -2.636   5.181          0.037
+ATOM     29  CB  ALA    15      -2.224  -2.650   5.201          0.036
+ATOM     30  CA  ALA    16      -4.032   0.919   6.054          0.016
+ATOM     31  CB  ALA    16      -4.712   1.270   5.877          0.044
+ATOM     32  CA  ALA    17      -3.759   0.291   9.746          0.031
+ATOM     33  CB  ALA    17      -3.372  -0.209  10.216          0.090
+ATOM     34  CA  GLY    18      -4.227   3.273  12.030          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  923.62                                       ENERGY    -1.15815E+01
+ATOM      1  CA  GLY     1     -11.849   6.596  -2.403          0.090
+ATOM      2  CA  ALA     2     -13.418   6.572  -5.919          0.084
+ATOM      3  CB  ALA     2     -12.908   6.747  -6.410          0.215
+ATOM      4  CA  ALA     3     -16.143   3.889  -6.138          0.010
+ATOM      5  CB  ALA     3     -16.793   4.183  -6.397          0.003
+ATOM      6  CA  ALA     4     -13.520   1.166  -6.550          0.054
+ATOM      7  CB  ALA     4     -12.785   1.239  -6.559          0.090
+ATOM      8  CA  CYS     5     -12.629   1.631  -2.805          0.014
+ATOM      9  CB  CYS     5     -13.518   2.576  -2.698          0.057
+ATOM     10  CA  ALA     6     -13.467  -2.136  -2.650          0.001
+ATOM     11  CB  ALA     6     -13.490  -2.860  -2.729          0.025
+ATOM     12  CA  ALA     7     -11.256  -2.842  -5.622          0.008
+ATOM     13  CB  ALA     7     -11.072  -2.578  -6.320          0.289
+ATOM     14  CA  ALA     8      -8.206  -2.125  -3.496          0.011
+ATOM     15  CB  ALA     8      -8.226  -1.485  -3.216          0.090
+ATOM     16  CA  ALA     9      -9.298  -4.587  -0.877          0.003
+ATOM     17  CB  ALA     9      -9.634  -4.348  -0.224          0.030
+ATOM     18  CA  ALA    10     -10.565  -6.979  -3.578          0.013
+ATOM     19  CB  ALA    10     -10.220  -7.012  -4.281          0.099
+ATOM     20  CA  ALA    11      -9.060 -10.399  -3.347          0.029
+ATOM     21  CB  ALA    11      -9.290 -11.104  -3.486          0.006
+ATOM     22  CA  ALA    12      -5.538  -8.995  -3.201          0.014
+ATOM     23  CB  ALA    12      -5.545  -8.635  -3.863          0.072
+ATOM     24  CA  ALA    13      -4.176  -7.434  -0.023          0.015
+ATOM     25  CB  ALA    13      -3.823  -8.014   0.272          0.042
+ATOM     26  CA  CYS    14      -3.957  -3.989   1.621          0.033
+ATOM     27  CB  CYS    14      -5.048  -3.526   1.725          0.005
+ATOM     28  CA  ALA    15      -3.473  -3.009   5.302          0.070
+ATOM     29  CB  ALA    15      -3.003  -3.112   5.889          0.053
+ATOM     30  CA  ALA    16      -3.888   0.809   5.844          0.030
+ATOM     31  CB  ALA    16      -4.524   1.149   5.521          0.034
+ATOM     32  CA  ALA    17      -3.394   0.685   9.610          0.028
+ATOM     33  CB  ALA    17      -2.879   0.254   9.328          0.032
+ATOM     34  CA  GLY    18      -3.341   3.372  12.241          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  928.62                                       ENERGY    -1.61225E+01
+ATOM      1  CA  GLY     1     -13.071   8.213  -1.913          0.082
+ATOM      2  CA  ALA     2     -14.072   6.207  -4.988          0.038
+ATOM      3  CB  ALA     2     -13.812   6.054  -5.719          0.039
+ATOM      4  CA  ALA     3     -16.223   3.233  -5.991          0.037
+ATOM      5  CB  ALA     3     -16.491   3.073  -6.678          0.092
+ATOM      6  CA  ALA     4     -13.021   1.438  -6.863          0.046
+ATOM      7  CB  ALA     4     -12.420   1.872  -7.067          0.072
+ATOM      8  CA  CYS     5     -12.101   1.239  -3.101          0.002
+ATOM      9  CB  CYS     5     -12.672   2.276  -2.667          0.061
+ATOM     10  CA  ALA     6     -13.683  -2.216  -2.884          0.007
+ATOM     11  CB  ALA     6     -14.266  -2.689  -2.750          0.150
+ATOM     12  CA  ALA     7     -11.336  -3.014  -5.737          0.046
+ATOM     13  CB  ALA     7     -11.804  -2.540  -6.105          0.147
+ATOM     14  CA  ALA     8      -8.272  -2.062  -3.713          0.019
+ATOM     15  CB  ALA     8      -7.677  -1.555  -3.658          0.029
+ATOM     16  CA  ALA     9      -9.519  -4.116  -0.858          0.009
+ATOM     17  CB  ALA     9     -10.262  -4.062  -0.957          0.125
+ATOM     18  CA  ALA    10     -10.366  -6.625  -3.570          0.006
+ATOM     19  CB  ALA    10     -10.121  -6.209  -4.145          0.015
+ATOM     20  CA  ALA    11      -8.976 -10.062  -2.808          0.015
+ATOM     21  CB  ALA    11      -9.255 -10.567  -3.284          0.032
+ATOM     22  CA  ALA    12      -5.444  -8.726  -2.969          0.025
+ATOM     23  CB  ALA    12      -5.635  -7.992  -2.895          0.037
+ATOM     24  CA  ALA    13      -4.105  -8.072   0.557          0.013
+ATOM     25  CB  ALA    13      -3.620  -8.704   0.553          0.082
+ATOM     26  CA  CYS    14      -4.354  -4.358   1.447          0.031
+ATOM     27  CB  CYS    14      -5.290  -3.590   1.146          0.020
+ATOM     28  CA  ALA    15      -3.706  -3.144   4.990          0.007
+ATOM     29  CB  ALA    15      -3.321  -3.780   5.247          0.012
+ATOM     30  CA  ALA    16      -3.695   0.623   5.716          0.025
+ATOM     31  CB  ALA    16      -4.111   1.057   5.346          0.055
+ATOM     32  CA  ALA    17      -3.145   0.859   9.478          0.045
+ATOM     33  CB  ALA    17      -2.734   0.396   9.934          0.013
+ATOM     34  CA  GLY    18      -2.032   3.691  11.783          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  933.62                                       ENERGY    -2.07333E+01
+ATOM      1  CA  GLY     1     -15.288   8.226  -1.699          0.173
+ATOM      2  CA  ALA     2     -14.948   6.165  -4.867          0.019
+ATOM      3  CB  ALA     2     -14.230   6.174  -4.894          0.052
+ATOM      4  CA  ALA     3     -15.734   2.622  -5.686          0.001
+ATOM      5  CB  ALA     3     -16.421   2.284  -5.942          0.027
+ATOM      6  CA  ALA     4     -12.111   2.123  -6.461          0.010
+ATOM      7  CB  ALA     4     -11.945   2.458  -7.028          0.216
+ATOM      8  CA  CYS     5     -11.656   1.485  -2.781          0.054
+ATOM      9  CB  CYS     5     -12.004   2.533  -2.283          0.126
+ATOM     10  CA  ALA     6     -13.934  -1.495  -3.423          0.099
+ATOM     11  CB  ALA     6     -14.613  -1.095  -3.501          0.096
+ATOM     12  CA  ALA     7     -11.844  -2.441  -6.505          0.061
+ATOM     13  CB  ALA     7     -11.570  -2.501  -7.166          0.063
+ATOM     14  CA  ALA     8      -8.635  -2.392  -4.371          0.055
+ATOM     15  CB  ALA     8      -8.214  -1.911  -4.760          0.121
+ATOM     16  CA  ALA     9     -10.480  -3.932  -1.436          0.022
+ATOM     17  CB  ALA     9     -10.877  -3.547  -1.008          0.051
+ATOM     18  CA  ALA    10     -10.453  -7.358  -3.125          0.006
+ATOM     19  CB  ALA    10     -10.483  -7.314  -3.909          0.039
+ATOM     20  CA  ALA    11      -8.497 -10.392  -2.171          0.015
+ATOM     21  CB  ALA    11      -8.550 -11.117  -2.341          0.110
+ATOM     22  CA  ALA    12      -5.176  -8.542  -2.770          0.006
+ATOM     23  CB  ALA    12      -5.019  -7.985  -3.234          0.031
+ATOM     24  CA  ALA    13      -4.576  -8.315   0.950          0.004
+ATOM     25  CB  ALA    13      -3.919  -8.519   1.262          0.078
+ATOM     26  CA  CYS    14      -4.370  -4.549   1.253          0.005
+ATOM     27  CB  CYS    14      -5.222  -4.072   0.467          0.065
+ATOM     28  CA  ALA    15      -3.857  -3.238   4.770          0.049
+ATOM     29  CB  ALA    15      -3.394  -3.438   5.331          0.064
+ATOM     30  CA  ALA    16      -2.968   0.151   6.087          0.040
+ATOM     31  CB  ALA    16      -3.472   0.721   6.055          0.031
+ATOM     32  CA  ALA    17      -2.673   0.943   9.763          0.024
+ATOM     33  CB  ALA    17      -2.613   0.294   9.951          0.033
+ATOM     34  CA  GLY    18      -1.335   4.381  10.642          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  938.62                                       ENERGY    -1.84659E+01
+ATOM      1  CA  GLY     1     -17.813   7.223  -1.409          0.096
+ATOM      2  CA  ALA     2     -15.741   6.241  -4.463          0.005
+ATOM      3  CB  ALA     2     -14.962   6.240  -4.515          0.166
+ATOM      4  CA  ALA     3     -15.472   2.789  -5.951          0.023
+ATOM      5  CB  ALA     3     -15.995   2.683  -6.329          0.097
+ATOM      6  CA  ALA     4     -11.690   3.096  -6.310          0.081
+ATOM      7  CB  ALA     4     -11.251   3.640  -6.672          0.100
+ATOM      8  CA  CYS     5     -11.048   1.453  -2.988          0.029
+ATOM      9  CB  CYS     5     -10.952   2.540  -2.404          0.106
+ATOM     10  CA  ALA     6     -13.885  -1.004  -3.352          0.017
+ATOM     11  CB  ALA     6     -14.526  -0.896  -3.684          0.139
+ATOM     12  CA  ALA     7     -12.620  -2.094  -6.677          0.078
+ATOM     13  CB  ALA     7     -12.784  -1.429  -6.944          0.094
+ATOM     14  CA  ALA     8      -9.172  -2.965  -5.241          0.033
+ATOM     15  CB  ALA     8      -8.671  -2.455  -4.933          0.102
+ATOM     16  CA  ALA     9     -10.726  -4.186  -1.997          0.010
+ATOM     17  CB  ALA     9     -10.960  -3.486  -1.933          0.039
+ATOM     18  CA  ALA    10     -10.470  -7.863  -3.104          0.008
+ATOM     19  CB  ALA    10     -10.735  -7.983  -3.845          0.062
+ATOM     20  CA  ALA    11      -8.611 -10.743  -1.540          0.024
+ATOM     21  CB  ALA    11      -8.179 -11.391  -1.388          0.079
+ATOM     22  CA  ALA    12      -5.278  -9.367  -2.681          0.033
+ATOM     23  CB  ALA    12      -5.223  -8.782  -3.053          0.095
+ATOM     24  CA  ALA    13      -4.545  -8.005   0.797          0.023
+ATOM     25  CB  ALA    13      -4.119  -8.354   1.254          0.103
+ATOM     26  CA  CYS    14      -3.679  -4.321   1.225          0.006
+ATOM     27  CB  CYS    14      -4.829  -3.962   0.806          0.025
+ATOM     28  CA  ALA    15      -3.987  -3.273   4.906          0.008
+ATOM     29  CB  ALA    15      -3.773  -3.922   5.153          0.001
+ATOM     30  CA  ALA    16      -2.750  -0.004   6.355          0.024
+ATOM     31  CB  ALA    16      -2.891   0.570   5.959          0.105
+ATOM     32  CA  ALA    17      -2.028   0.978   9.922          0.013
+ATOM     33  CB  ALA    17      -1.649   0.841  10.526          0.093
+ATOM     34  CA  GLY    18      -1.149   4.704   9.772          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  943.62                                       ENERGY    -9.23442E+00
+ATOM      1  CA  GLY     1     -19.465   5.920  -2.734          0.034
+ATOM      2  CA  ALA     2     -15.714   5.844  -3.516          0.058
+ATOM      3  CB  ALA     2     -15.479   6.193  -2.916          0.173
+ATOM      4  CA  ALA     3     -15.464   2.916  -5.859          0.054
+ATOM      5  CB  ALA     3     -15.326   2.762  -6.641          0.015
+ATOM      6  CA  ALA     4     -11.881   3.806  -6.607          0.014
+ATOM      7  CB  ALA     4     -11.622   4.474  -6.529          0.018
+ATOM      8  CA  CYS     5     -10.446   1.877  -3.742          0.039
+ATOM      9  CB  CYS     5     -10.733   2.219  -2.536          0.065
+ATOM     10  CA  ALA     6     -13.411  -0.287  -3.030          0.011
+ATOM     11  CB  ALA     6     -14.027   0.106  -2.668          0.108
+ATOM     12  CA  ALA     7     -13.018  -1.897  -6.442          0.006
+ATOM     13  CB  ALA     7     -12.807  -1.865  -7.143          0.042
+ATOM     14  CA  ALA     8      -9.493  -3.021  -5.386          0.016
+ATOM     15  CB  ALA     8      -8.746  -3.008  -5.338          0.055
+ATOM     16  CA  ALA     9     -10.968  -4.512  -2.275          0.006
+ATOM     17  CB  ALA     9     -11.712  -4.456  -1.999          0.130
+ATOM     18  CA  ALA    10     -10.319  -7.991  -3.617          0.028
+ATOM     19  CB  ALA    10     -10.013  -8.230  -4.225          0.048
+ATOM     20  CA  ALA    11      -9.102 -10.525  -1.219          0.006
+ATOM     21  CB  ALA    11      -9.682 -11.019  -1.178          0.072
+ATOM     22  CA  ALA    12      -5.486 -10.125  -2.304          0.026
+ATOM     23  CB  ALA    12      -5.311  -9.822  -2.982          0.048
+ATOM     24  CA  ALA    13      -4.314  -7.680   0.357          0.030
+ATOM     25  CB  ALA    13      -3.741  -7.939   0.746          0.028
+ATOM     26  CA  CYS    14      -3.910  -4.086   1.546          0.037
+ATOM     27  CB  CYS    14      -4.919  -3.662   0.786          0.000
+ATOM     28  CA  ALA    15      -3.540  -3.558   5.275          0.014
+ATOM     29  CB  ALA    15      -3.322  -4.082   5.841          0.110
+ATOM     30  CA  ALA    16      -2.275  -0.175   6.432          0.029
+ATOM     31  CB  ALA    16      -2.526   0.258   5.861          0.019
+ATOM     32  CA  ALA    17      -1.547   1.463   9.806          0.017
+ATOM     33  CB  ALA    17      -1.261   1.005  10.291          0.037
+ATOM     34  CA  GLY    18      -0.809   5.151   9.518          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  948.62                                       ENERGY    -5.64458E+00
+ATOM      1  CA  GLY     1     -19.725   5.191  -4.164          0.018
+ATOM      2  CA  ALA     2     -16.345   5.062  -2.480          0.056
+ATOM      3  CB  ALA     2     -15.688   4.783  -2.210          0.096
+ATOM      4  CA  ALA     3     -15.341   3.111  -5.577          0.015
+ATOM      5  CB  ALA     3     -16.021   2.953  -5.423          0.111
+ATOM      6  CA  ALA     4     -11.839   4.223  -6.539          0.018
+ATOM      7  CB  ALA     4     -11.625   5.031  -6.357          0.021
+ATOM      8  CA  CYS     5     -10.249   2.077  -3.825          0.000
+ATOM      9  CB  CYS     5     -10.086   2.860  -2.844          0.077
+ATOM     10  CA  ALA     6     -13.459   0.046  -3.352          0.016
+ATOM     11  CB  ALA     6     -14.178   0.250  -3.205          0.016
+ATOM     12  CA  ALA     7     -12.788  -1.929  -6.583          0.015
+ATOM     13  CB  ALA     7     -12.666  -1.461  -7.131          0.030
+ATOM     14  CA  ALA     8      -9.433  -3.101  -5.104          0.024
+ATOM     15  CB  ALA     8      -8.908  -2.653  -4.810          0.196
+ATOM     16  CA  ALA     9     -11.197  -5.039  -2.391          0.017
+ATOM     17  CB  ALA     9     -11.907  -5.102  -2.173          0.061
+ATOM     18  CA  ALA    10     -10.514  -8.183  -4.218          0.012
+ATOM     19  CB  ALA    10      -9.820  -7.948  -4.431          0.071
+ATOM     20  CA  ALA    11      -9.445 -10.130  -1.085          0.024
+ATOM     21  CB  ALA    11      -9.632 -10.776  -0.887          0.050
+ATOM     22  CA  ALA    12      -5.765 -10.328  -2.115          0.009
+ATOM     23  CB  ALA    12      -5.533 -10.238  -2.784          0.042
+ATOM     24  CA  ALA    13      -4.555  -8.008   0.586          0.002
+ATOM     25  CB  ALA    13      -4.127  -8.602   0.809          0.110
+ATOM     26  CA  CYS    14      -4.328  -4.361   1.636          0.008
+ATOM     27  CB  CYS    14      -5.062  -3.441   1.166          0.035
+ATOM     28  CA  ALA    15      -2.851  -3.557   4.975          0.071
+ATOM     29  CB  ALA    15      -2.495  -4.006   5.385          0.058
+ATOM     30  CA  ALA    16      -2.163   0.020   6.097          0.020
+ATOM     31  CB  ALA    16      -2.575   0.624   5.892          0.018
+ATOM     32  CA  ALA    17      -1.363   1.678   9.429          0.010
+ATOM     33  CB  ALA    17      -0.924   1.347   9.879          0.021
+ATOM     34  CA  GLY    18      -0.068   5.157   9.659          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  953.62                                       ENERGY    -5.76911E+00
+ATOM      1  CA  GLY     1     -20.036   5.324  -2.878          0.013
+ATOM      2  CA  ALA     2     -16.311   4.586  -2.520          0.017
+ATOM      3  CB  ALA     2     -16.581   4.111  -2.026          0.008
+ATOM      4  CA  ALA     3     -15.949   3.335  -6.119          0.009
+ATOM      5  CB  ALA     3     -15.619   3.030  -6.727          0.015
+ATOM      6  CA  ALA     4     -12.428   4.591  -6.174          0.046
+ATOM      7  CB  ALA     4     -12.320   5.285  -6.507          0.128
+ATOM      8  CA  CYS     5     -10.501   2.561  -3.613          0.018
+ATOM      9  CB  CYS     5      -9.980   2.906  -2.551          0.042
+ATOM     10  CA  ALA     6     -13.163  -0.074  -3.196          0.002
+ATOM     11  CB  ALA     6     -13.824  -0.209  -3.469          0.026
+ATOM     12  CA  ALA     7     -12.008  -1.680  -6.439          0.016
+ATOM     13  CB  ALA     7     -11.848  -1.130  -6.927          0.109
+ATOM     14  CA  ALA     8      -8.984  -3.147  -4.627          0.017
+ATOM     15  CB  ALA     8      -8.387  -3.043  -4.281          0.123
+ATOM     16  CA  ALA     9     -11.232  -5.278  -2.396          0.041
+ATOM     17  CB  ALA     9     -11.849  -4.995  -2.419          0.007
+ATOM     18  CA  ALA    10     -10.884  -8.285  -4.493          0.057
+ATOM     19  CB  ALA    10     -10.534  -8.634  -5.066          0.035
+ATOM     20  CA  ALA    11      -9.671 -10.358  -1.501          0.025
+ATOM     21  CB  ALA    11     -10.209 -10.741  -1.162          0.093
+ATOM     22  CA  ALA    12      -5.946  -9.983  -1.933          0.026
+ATOM     23  CB  ALA    12      -5.576  -9.542  -2.436          0.063
+ATOM     24  CA  ALA    13      -4.812  -8.282   1.270          0.008
+ATOM     25  CB  ALA    13      -4.554  -8.563   1.918          0.045
+ATOM     26  CA  CYS    14      -3.900  -4.591   1.355          0.022
+ATOM     27  CB  CYS    14      -5.128  -4.109   1.290          0.010
+ATOM     28  CA  ALA    15      -2.803  -3.205   4.693          0.046
+ATOM     29  CB  ALA    15      -2.122  -3.197   5.012          0.067
+ATOM     30  CA  ALA    16      -2.131   0.432   5.649          0.019
+ATOM     31  CB  ALA    16      -2.716   0.812   5.403          0.031
+ATOM     32  CA  ALA    17      -0.682   1.624   8.989          0.009
+ATOM     33  CB  ALA    17      -0.237   1.074   9.324          0.089
+ATOM     34  CA  GLY    18       0.118   5.205   9.802          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  958.62                                       ENERGY    -9.48979E+00
+ATOM      1  CA  GLY     1     -19.965   4.968  -3.385          0.050
+ATOM      2  CA  ALA     2     -16.328   4.338  -2.299          0.028
+ATOM      3  CB  ALA     2     -15.684   4.022  -2.243          0.010
+ATOM      4  CA  ALA     3     -15.637   2.516  -5.589          0.008
+ATOM      5  CB  ALA     3     -16.160   2.957  -5.841          0.372
+ATOM      6  CA  ALA     4     -12.582   4.709  -6.001          0.020
+ATOM      7  CB  ALA     4     -12.590   5.375  -5.548          0.045
+ATOM      8  CA  CYS     5     -10.862   2.592  -3.353          0.014
+ATOM      9  CB  CYS     5     -10.823   3.372  -2.424          0.034
+ATOM     10  CA  ALA     6     -13.174  -0.485  -3.780          0.014
+ATOM     11  CB  ALA     6     -13.741  -0.211  -3.486          0.063
+ATOM     12  CA  ALA     7     -10.893  -1.581  -6.622          0.022
+ATOM     13  CB  ALA     7     -10.523  -1.444  -7.246          0.029
+ATOM     14  CA  ALA     8      -8.707  -3.471  -3.973          0.008
+ATOM     15  CB  ALA     8      -8.244  -2.898  -3.880          0.140
+ATOM     16  CA  ALA     9     -11.657  -5.156  -2.257          0.025
+ATOM     17  CB  ALA     9     -12.048  -4.612  -2.140          0.007
+ATOM     18  CA  ALA    10     -11.471  -8.083  -4.750          0.028
+ATOM     19  CB  ALA    10     -11.295  -7.819  -5.404          0.195
+ATOM     20  CA  ALA    11     -10.031 -10.560  -2.368          0.007
+ATOM     21  CB  ALA    11      -9.923 -11.306  -2.426          0.038
+ATOM     22  CA  ALA    12      -6.580  -9.613  -1.114          0.012
+ATOM     23  CB  ALA    12      -6.223  -9.271  -1.613          0.057
+ATOM     24  CA  ALA    13      -4.627  -8.535   1.962          0.041
+ATOM     25  CB  ALA    13      -4.009  -8.935   1.972          0.024
+ATOM     26  CA  CYS    14      -4.194  -4.806   1.676          0.012
+ATOM     27  CB  CYS    14      -5.161  -4.407   0.969          0.016
+ATOM     28  CA  ALA    15      -2.694  -2.703   4.507          0.040
+ATOM     29  CB  ALA    15      -2.115  -2.974   4.869          0.094
+ATOM     30  CA  ALA    16      -2.024   1.004   5.200          0.037
+ATOM     31  CB  ALA    16      -2.396   1.641   5.051          0.047
+ATOM     32  CA  ALA    17      -0.017   1.486   8.311          0.013
+ATOM     33  CB  ALA    17       0.579   1.071   8.448          0.042
+ATOM     34  CA  GLY    18       0.010   4.950  10.000          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  963.62                                       ENERGY    -1.41222E+01
+ATOM      1  CA  GLY     1     -19.908   4.562  -2.812          0.051
+ATOM      2  CA  ALA     2     -16.227   4.361  -2.072          0.026
+ATOM      3  CB  ALA     2     -16.478   4.125  -1.426          0.125
+ATOM      4  CA  ALA     3     -15.808   2.369  -5.219          0.074
+ATOM      5  CB  ALA     3     -15.801   2.243  -6.047          0.158
+ATOM      6  CA  ALA     4     -12.442   4.057  -6.061          0.010
+ATOM      7  CB  ALA     4     -12.069   4.638  -6.191          0.038
+ATOM      8  CA  CYS     5     -10.972   2.371  -2.968          0.024
+ATOM      9  CB  CYS     5     -11.408   3.179  -2.176          0.050
+ATOM     10  CA  ALA     6     -13.075  -0.711  -3.868          0.031
+ATOM     11  CB  ALA     6     -13.414  -1.203  -4.340          0.054
+ATOM     12  CA  ALA     7     -10.479  -1.793  -6.354          0.024
+ATOM     13  CB  ALA     7     -10.244  -1.246  -6.734          0.100
+ATOM     14  CA  ALA     8      -8.315  -3.354  -3.728          0.008
+ATOM     15  CB  ALA     8      -8.004  -3.286  -3.066          0.034
+ATOM     16  CA  ALA     9     -11.413  -4.776  -2.116          0.042
+ATOM     17  CB  ALA     9     -12.135  -4.428  -2.123          0.089
+ATOM     18  CA  ALA    10     -11.930  -7.259  -4.941          0.021
+ATOM     19  CB  ALA    10     -11.533  -7.283  -5.532          0.069
+ATOM     20  CA  ALA    11     -10.112  -9.857  -2.793          0.018
+ATOM     21  CB  ALA    11     -10.411 -10.539  -2.999          0.045
+ATOM     22  CA  ALA    12      -6.569  -9.633  -1.336          0.061
+ATOM     23  CB  ALA    12      -6.324  -8.986  -1.551          0.082
+ATOM     24  CA  ALA    13      -5.147  -8.537   2.030          0.032
+ATOM     25  CB  ALA    13      -4.728  -9.080   2.207          0.224
+ATOM     26  CA  CYS    14      -4.117  -4.872   1.645          0.011
+ATOM     27  CB  CYS    14      -5.211  -4.362   1.463          0.036
+ATOM     28  CA  ALA    15      -2.635  -2.478   4.257          0.036
+ATOM     29  CB  ALA    15      -2.165  -2.893   4.633          0.041
+ATOM     30  CA  ALA    16      -1.761   1.213   4.671          0.009
+ATOM     31  CB  ALA    16      -2.429   1.305   4.549          0.063
+ATOM     32  CA  ALA    17       0.116   1.641   7.957          0.037
+ATOM     33  CB  ALA    17       0.806   1.438   7.892          0.023
+ATOM     34  CA  GLY    18       0.726   4.904   9.713          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  968.62                                       ENERGY    -1.26881E+01
+ATOM      1  CA  GLY     1     -19.925   4.553  -0.855          0.006
+ATOM      2  CA  ALA     2     -16.791   4.603  -3.197          0.067
+ATOM      3  CB  ALA     2     -16.187   4.396  -2.708          0.258
+ATOM      4  CA  ALA     3     -15.663   2.182  -5.854          0.003
+ATOM      5  CB  ALA     3     -16.062   1.752  -6.321          0.069
+ATOM      6  CA  ALA     4     -12.111   3.615  -5.774          0.024
+ATOM      7  CB  ALA     4     -12.205   4.265  -5.866          0.022
+ATOM      8  CA  CYS     5     -11.387   1.776  -2.456          0.015
+ATOM      9  CB  CYS     5     -11.877   2.185  -1.344          0.111
+ATOM     10  CA  ALA     6     -13.045  -1.226  -3.969          0.031
+ATOM     11  CB  ALA     6     -13.769  -1.064  -4.199          0.010
+ATOM     12  CA  ALA     7      -9.989  -1.858  -6.122          0.008
+ATOM     13  CB  ALA     7      -9.650  -1.443  -6.709          0.178
+ATOM     14  CA  ALA     8      -7.948  -3.069  -3.167          0.035
+ATOM     15  CB  ALA     8      -7.383  -3.123  -2.668          0.100
+ATOM     16  CA  ALA     9     -11.023  -4.790  -1.585          0.041
+ATOM     17  CB  ALA     9     -11.551  -4.416  -1.339          0.144
+ATOM     18  CA  ALA    10     -11.870  -6.668  -4.817          0.005
+ATOM     19  CB  ALA    10     -11.448  -6.731  -5.468          0.049
+ATOM     20  CA  ALA    11     -10.290  -9.461  -2.768          0.044
+ATOM     21  CB  ALA    11     -10.499 -10.167  -2.828          0.027
+ATOM     22  CA  ALA    12      -6.556  -9.007  -2.332          0.066
+ATOM     23  CB  ALA    12      -6.180  -8.399  -2.681          0.094
+ATOM     24  CA  ALA    13      -6.142  -8.182   1.327          0.041
+ATOM     25  CB  ALA    13      -6.058  -8.572   1.935          0.033
+ATOM     26  CA  CYS    14      -4.352  -4.823   1.971          0.004
+ATOM     27  CB  CYS    14      -5.512  -4.408   1.701          0.020
+ATOM     28  CA  ALA    15      -2.305  -3.057   4.549          0.026
+ATOM     29  CB  ALA    15      -1.558  -3.082   4.631          0.038
+ATOM     30  CA  ALA    16      -1.640   0.692   4.432          0.006
+ATOM     31  CB  ALA    16      -2.153   1.221   4.505          0.056
+ATOM     32  CA  ALA    17       0.036   2.249   7.376          0.047
+ATOM     33  CB  ALA    17       0.346   1.623   7.653          0.011
+ATOM     34  CA  GLY    18       1.802   5.212   8.834          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  973.62                                       ENERGY    -6.70566E+00
+ATOM      1  CA  GLY     1     -18.906   4.176  -0.560          0.008
+ATOM      2  CA  ALA     2     -17.127   4.809  -3.898          0.049
+ATOM      3  CB  ALA     2     -16.636   5.157  -3.429          0.047
+ATOM      4  CA  ALA     3     -15.485   1.911  -5.511          0.080
+ATOM      5  CB  ALA     3     -15.674   2.005  -6.229          0.147
+ATOM      6  CA  ALA     4     -11.868   3.109  -5.431          0.035
+ATOM      7  CB  ALA     4     -12.093   3.793  -5.074          0.085
+ATOM      8  CA  CYS     5     -11.549   1.295  -2.098          0.009
+ATOM      9  CB  CYS     5     -12.277   1.720  -1.252          0.033
+ATOM     10  CA  ALA     6     -13.129  -1.713  -3.704          0.001
+ATOM     11  CB  ALA     6     -13.835  -2.126  -3.738          0.031
+ATOM     12  CA  ALA     7     -10.068  -2.039  -5.966          0.025
+ATOM     13  CB  ALA     7      -9.429  -1.749  -6.285          0.045
+ATOM     14  CA  ALA     8      -7.859  -2.539  -2.837          0.006
+ATOM     15  CB  ALA     8      -7.521  -1.934  -2.783          0.034
+ATOM     16  CA  ALA     9     -10.556  -4.695  -1.164          0.024
+ATOM     17  CB  ALA     9     -10.950  -4.144  -0.789          0.047
+ATOM     18  CA  ALA    10     -11.562  -6.607  -4.298          0.012
+ATOM     19  CB  ALA    10     -11.345  -5.926  -4.339          0.099
+ATOM     20  CA  ALA    11     -10.494 -10.010  -2.958          0.005
+ATOM     21  CB  ALA    11     -10.506 -10.723  -3.410          0.051
+ATOM     22  CA  ALA    12      -7.076  -8.464  -3.025          0.006
+ATOM     23  CB  ALA    12      -6.907  -7.928  -3.554          0.045
+ATOM     24  CA  ALA    13      -6.275  -7.757   0.628          0.023
+ATOM     25  CB  ALA    13      -6.218  -8.419   0.972          0.035
+ATOM     26  CA  CYS    14      -4.511  -4.600   1.973          0.022
+ATOM     27  CB  CYS    14      -5.563  -4.046   1.521          0.036
+ATOM     28  CA  ALA    15      -2.834  -2.935   5.014          0.036
+ATOM     29  CB  ALA    15      -2.427  -3.398   5.274          0.116
+ATOM     30  CA  ALA    16      -1.487   0.560   4.574          0.001
+ATOM     31  CB  ALA    16      -1.726   0.854   3.997          0.072
+ATOM     32  CA  ALA    17       0.481   2.138   7.464          0.029
+ATOM     33  CB  ALA    17       0.898   1.846   7.961          0.076
+ATOM     34  CA  GLY    18       1.939   5.554   6.792          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  978.55                                       ENERGY    -1.18091E+01
+ATOM      1  CA  GLY     1     -18.238   3.642  -0.455          0.017
+ATOM      2  CA  ALA     2     -16.765   4.913  -3.710          0.001
+ATOM      3  CB  ALA     2     -16.271   5.387  -4.020          0.335
+ATOM      4  CA  ALA     3     -15.272   1.940  -5.609          0.054
+ATOM      5  CB  ALA     3     -14.895   1.465  -6.085          0.145
+ATOM      6  CA  ALA     4     -11.738   3.050  -4.814          0.049
+ATOM      7  CB  ALA     4     -11.211   3.459  -5.089          0.056
+ATOM      8  CA  CYS     5     -12.080   1.129  -1.588          0.008
+ATOM      9  CB  CYS     5     -12.968   1.681  -0.945          0.125
+ATOM     10  CA  ALA     6     -13.514  -2.032  -3.287          0.030
+ATOM     11  CB  ALA     6     -14.030  -2.024  -3.849          0.038
+ATOM     12  CA  ALA     7     -10.518  -2.236  -5.637          0.025
+ATOM     13  CB  ALA     7     -10.795  -1.679  -6.098          0.056
+ATOM     14  CA  ALA     8      -7.932  -2.613  -2.867          0.006
+ATOM     15  CB  ALA     8      -7.195  -2.516  -2.645          0.019
+ATOM     16  CA  ALA     9     -10.275  -4.473  -0.608          0.040
+ATOM     17  CB  ALA     9     -10.534  -4.187  -0.051          0.018
+ATOM     18  CA  ALA    10     -11.691  -6.401  -3.689          0.025
+ATOM     19  CB  ALA    10     -11.570  -6.226  -4.457          0.118
+ATOM     20  CA  ALA    11     -10.251  -9.888  -3.401          0.016
+ATOM     21  CB  ALA    11     -10.220 -10.401  -3.938          0.011
+ATOM     22  CA  ALA    12      -6.772  -8.420  -3.406          0.025
+ATOM     23  CB  ALA    12      -7.023  -7.742  -3.583          0.057
+ATOM     24  CA  ALA    13      -6.010  -7.437   0.244          0.013
+ATOM     25  CB  ALA    13      -5.773  -7.870   0.714          0.015
+ATOM     26  CA  CYS    14      -4.386  -4.108   1.267          0.043
+ATOM     27  CB  CYS    14      -5.496  -3.538   1.385          0.022
+ATOM     28  CA  ALA    15      -3.837  -2.884   4.815          0.018
+ATOM     29  CB  ALA    15      -4.112  -3.309   5.445          0.074
+ATOM     30  CA  ALA    16      -1.210  -0.169   5.143          0.031
+ATOM     31  CB  ALA    16      -1.080   0.322   4.625          0.063
+ATOM     32  CA  ALA    17       0.651   2.417   7.109          0.055
+ATOM     33  CB  ALA    17       1.172   2.175   7.607          0.006
+ATOM     34  CA  GLY    18       1.894   5.271   4.947          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  983.55                                       ENERGY    -1.64387E+01
+ATOM      1  CA  GLY     1     -18.151   4.379  -0.877          0.018
+ATOM      2  CA  ALA     2     -15.782   4.085  -3.716          0.067
+ATOM      3  CB  ALA     2     -15.344   4.554  -3.366          0.050
+ATOM      4  CA  ALA     3     -14.633   1.261  -5.983          0.069
+ATOM      5  CB  ALA     3     -15.171   1.612  -6.406          0.040
+ATOM      6  CA  ALA     4     -11.428   2.717  -4.572          0.031
+ATOM      7  CB  ALA     4     -11.338   3.476  -4.364          0.099
+ATOM      8  CA  CYS     5     -11.903   1.143  -1.182          0.016
+ATOM      9  CB  CYS     5     -12.374   1.933  -0.327          0.018
+ATOM     10  CA  ALA     6     -13.759  -1.838  -2.571          0.059
+ATOM     11  CB  ALA     6     -14.464  -1.743  -2.455          0.223
+ATOM     12  CA  ALA     7     -11.476  -2.192  -5.540          0.042
+ATOM     13  CB  ALA     7     -11.100  -1.544  -5.676          0.237
+ATOM     14  CA  ALA     8      -8.540  -2.693  -3.197          0.013
+ATOM     15  CB  ALA     8      -8.505  -1.975  -3.362          0.008
+ATOM     16  CA  ALA     9     -10.714  -4.724  -0.841          0.002
+ATOM     17  CB  ALA     9     -11.259  -4.474  -0.391          0.057
+ATOM     18  CA  ALA    10     -11.951  -6.956  -3.708          0.016
+ATOM     19  CB  ALA    10     -12.252  -6.277  -3.749          0.072
+ATOM     20  CA  ALA    11      -9.520  -9.899  -3.588          0.005
+ATOM     21  CB  ALA    11      -9.585 -10.655  -3.762          0.118
+ATOM     22  CA  ALA    12      -6.351  -7.815  -3.440          0.008
+ATOM     23  CB  ALA    12      -6.134  -7.183  -3.832          0.042
+ATOM     24  CA  ALA    13      -5.519  -7.039   0.181          0.004
+ATOM     25  CB  ALA    13      -4.967  -7.512   0.348          0.053
+ATOM     26  CA  CYS    14      -4.938  -3.546   1.547          0.005
+ATOM     27  CB  CYS    14      -5.927  -3.033   1.074          0.064
+ATOM     28  CA  ALA    15      -4.005  -2.788   5.212          0.071
+ATOM     29  CB  ALA    15      -3.902  -3.256   5.732          0.166
+ATOM     30  CA  ALA    16      -1.217  -0.271   4.399          0.062
+ATOM     31  CB  ALA    16      -1.379   0.166   3.840          0.017
+ATOM     32  CA  ALA    17       0.183   2.284   6.763          0.015
+ATOM     33  CB  ALA    17       0.775   2.136   7.240          0.039
+ATOM     34  CA  GLY    18       2.338   4.188   4.138          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  988.55                                       ENERGY    -1.89805E+01
+ATOM      1  CA  GLY     1     -18.488   4.318  -0.621          0.007
+ATOM      2  CA  ALA     2     -15.350   4.624  -2.714          0.020
+ATOM      3  CB  ALA     2     -14.616   4.331  -2.788          0.112
+ATOM      4  CA  ALA     3     -14.624   2.014  -5.400          0.020
+ATOM      5  CB  ALA     3     -14.346   1.261  -5.648          0.188
+ATOM      6  CA  ALA     4     -10.843   1.788  -4.890          0.036
+ATOM      7  CB  ALA     4     -10.353   2.287  -4.923          0.133
+ATOM      8  CA  CYS     5     -11.689   1.012  -1.295          0.012
+ATOM      9  CB  CYS     5     -11.842   2.019  -0.520          0.049
+ATOM     10  CA  ALA     6     -14.177  -1.636  -2.232          0.019
+ATOM     11  CB  ALA     6     -14.907  -1.405  -2.146          0.078
+ATOM     12  CA  ALA     7     -12.313  -2.912  -5.301          0.061
+ATOM     13  CB  ALA     7     -12.237  -2.561  -5.962          0.093
+ATOM     14  CA  ALA     8      -9.111  -2.728  -3.343          0.063
+ATOM     15  CB  ALA     8      -8.887  -2.186  -2.887          0.048
+ATOM     16  CA  ALA     9     -10.712  -5.005  -0.792          0.027
+ATOM     17  CB  ALA     9     -11.092  -4.609  -0.307          0.084
+ATOM     18  CA  ALA    10     -11.847  -7.201  -3.758          0.043
+ATOM     19  CB  ALA    10     -11.359  -7.043  -4.295          0.020
+ATOM     20  CA  ALA    11      -9.001  -9.619  -3.109          0.061
+ATOM     21  CB  ALA    11      -9.025 -10.052  -3.753          0.016
+ATOM     22  CA  ALA    12      -6.260  -6.986  -3.570          0.068
+ATOM     23  CB  ALA    12      -6.676  -6.348  -3.708          0.041
+ATOM     24  CA  ALA    13      -4.773  -6.356  -0.085          0.040
+ATOM     25  CB  ALA    13      -4.118  -6.783   0.023          0.133
+ATOM     26  CA  CYS    14      -5.726  -3.229   1.828          0.043
+ATOM     27  CB  CYS    14      -6.836  -2.602   1.656          0.087
+ATOM     28  CA  ALA    15      -3.956  -2.680   5.070          0.019
+ATOM     29  CB  ALA    15      -3.338  -3.114   5.047          0.054
+ATOM     30  CA  ALA    16      -1.751  -0.011   3.448          0.025
+ATOM     31  CB  ALA    16      -2.087   0.318   2.891          0.045
+ATOM     32  CA  ALA    17      -0.165   2.049   6.194          0.031
+ATOM     33  CB  ALA    17       0.109   1.818   6.824          0.102
+ATOM     34  CA  GLY    18       2.866   2.813   4.015          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  993.55                                       ENERGY    -1.81447E+01
+ATOM      1  CA  GLY     1     -17.921   4.663  -0.789          0.026
+ATOM      2  CA  ALA     2     -14.518   4.732  -2.363          0.063
+ATOM      3  CB  ALA     2     -14.228   4.638  -1.640          0.022
+ATOM      4  CA  ALA     3     -14.855   1.999  -4.988          0.064
+ATOM      5  CB  ALA     3     -15.031   2.624  -5.254          0.143
+ATOM      6  CA  ALA     4     -11.131   1.458  -5.154          0.005
+ATOM      7  CB  ALA     4     -10.736   2.166  -5.291          0.195
+ATOM      8  CA  CYS     5     -11.186   0.613  -1.424          0.054
+ATOM      9  CB  CYS     5     -10.981   1.349  -0.397          0.030
+ATOM     10  CA  ALA     6     -14.150  -1.687  -2.003          0.146
+ATOM     11  CB  ALA     6     -14.758  -1.476  -2.348          0.116
+ATOM     12  CA  ALA     7     -12.481  -3.153  -5.170          0.006
+ATOM     13  CB  ALA     7     -12.390  -2.906  -5.801          0.046
+ATOM     14  CA  ALA     8      -9.192  -3.056  -3.262          0.021
+ATOM     15  CB  ALA     8      -9.034  -2.578  -2.669          0.053
+ATOM     16  CA  ALA     9     -10.779  -5.324  -0.634          0.032
+ATOM     17  CB  ALA     9     -11.408  -5.299  -0.289          0.084
+ATOM     18  CA  ALA    10     -11.663  -7.752  -3.419          0.022
+ATOM     19  CB  ALA    10     -12.245  -7.340  -3.694          0.061
+ATOM     20  CA  ALA    11      -8.391  -9.736  -3.236          0.016
+ATOM     21  CB  ALA    11      -8.036 -10.306  -3.443          0.124
+ATOM     22  CA  ALA    12      -6.153  -6.635  -3.692          0.040
+ATOM     23  CB  ALA    12      -6.772  -6.319  -3.872          0.035
+ATOM     24  CA  ALA    13      -4.965  -5.015  -0.536          0.066
+ATOM     25  CB  ALA    13      -4.215  -4.951  -0.445          0.163
+ATOM     26  CA  CYS    14      -6.481  -2.641   1.960          0.027
+ATOM     27  CB  CYS    14      -7.693  -2.387   1.974          0.025
+ATOM     28  CA  ALA    15      -3.794  -2.621   4.705          0.035
+ATOM     29  CB  ALA    15      -3.338  -3.153   5.136          0.111
+ATOM     30  CA  ALA    16      -1.984   0.003   2.718          0.039
+ATOM     31  CB  ALA    16      -2.423   0.339   2.253          0.023
+ATOM     32  CA  ALA    17      -0.205   2.061   5.426          0.004
+ATOM     33  CB  ALA    17      -0.286   1.654   6.050          0.017
+ATOM     34  CA  GLY    18       3.396   2.147   4.552          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  998.55                                       ENERGY    -1.89607E+01
+ATOM      1  CA  GLY     1     -17.871   5.953  -0.808          0.063
+ATOM      2  CA  ALA     2     -14.285   4.838  -1.237          0.048
+ATOM      3  CB  ALA     2     -13.990   4.767  -0.601          0.071
+ATOM      4  CA  ALA     3     -15.055   2.648  -4.256          0.077
+ATOM      5  CB  ALA     3     -14.990   2.904  -5.001          0.133
+ATOM      6  CA  ALA     4     -11.398   1.819  -5.158          0.034
+ATOM      7  CB  ALA     4     -11.021   2.435  -5.394          0.058
+ATOM      8  CA  CYS     5     -10.922   0.262  -1.746          0.024
+ATOM      9  CB  CYS     5     -10.653   0.699  -0.595          0.022
+ATOM     10  CA  ALA     6     -14.017  -1.863  -2.048          0.005
+ATOM     11  CB  ALA     6     -14.605  -1.465  -1.871          0.121
+ATOM     12  CA  ALA     7     -12.566  -3.730  -5.111          0.031
+ATOM     13  CB  ALA     7     -12.348  -3.506  -5.784          0.031
+ATOM     14  CA  ALA     8      -9.211  -3.743  -3.287          0.019
+ATOM     15  CB  ALA     8      -8.732  -3.325  -2.909          0.163
+ATOM     16  CA  ALA     9     -10.933  -5.720  -0.457          0.009
+ATOM     17  CB  ALA     9     -11.331  -5.151  -0.151          0.025
+ATOM     18  CA  ALA    10     -11.718  -8.512  -2.937          0.028
+ATOM     19  CB  ALA    10     -11.723  -8.143  -3.568          0.064
+ATOM     20  CA  ALA    11      -8.103  -9.716  -2.936          0.063
+ATOM     21  CB  ALA    11      -7.650 -10.191  -3.257          0.038
+ATOM     22  CA  ALA    12      -6.012  -6.529  -3.692          0.040
+ATOM     23  CB  ALA    12      -6.164  -5.991  -4.114          0.064
+ATOM     24  CA  ALA    13      -5.291  -4.602  -0.458          0.025
+ATOM     25  CB  ALA    13      -4.734  -4.289  -0.857          0.056
+ATOM     26  CA  CYS    14      -7.007  -1.702   1.365          0.023
+ATOM     27  CB  CYS    14      -7.947  -2.411   1.858          0.039
+ATOM     28  CA  ALA    15      -4.501  -1.995   4.190          0.039
+ATOM     29  CB  ALA    15      -4.412  -2.676   4.270          0.114
+ATOM     30  CA  ALA    16      -1.904  -0.068   2.260          0.053
+ATOM     31  CB  ALA    16      -1.722   0.180   1.543          0.028
+ATOM     32  CA  ALA    17      -0.107   1.819   5.014          0.003
+ATOM     33  CB  ALA    17      -0.423   1.958   5.683          0.071
+ATOM     34  CA  GLY    18       3.728   1.699   4.947          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1003.50                                       ENERGY    -2.01381E+01
+ATOM      1  CA  GLY     1     -16.947   7.420  -1.121          0.024
+ATOM      2  CA  ALA     2     -14.189   4.842  -0.632          0.072
+ATOM      3  CB  ALA     2     -13.729   4.427  -0.166          0.035
+ATOM      4  CA  ALA     3     -15.282   2.537  -3.484          0.046
+ATOM      5  CB  ALA     3     -15.944   2.819  -3.783          0.158
+ATOM      6  CA  ALA     4     -11.710   2.112  -4.617          0.061
+ATOM      7  CB  ALA     4     -11.575   2.832  -4.666          0.070
+ATOM      8  CA  CYS     5     -11.060  -0.071  -1.647          0.070
+ATOM      9  CB  CYS     5     -10.575   0.581  -0.736          0.040
+ATOM     10  CA  ALA     6     -14.388  -1.783  -1.961          0.005
+ATOM     11  CB  ALA     6     -15.132  -1.514  -1.994          0.111
+ATOM     12  CA  ALA     7     -13.064  -3.399  -5.105          0.078
+ATOM     13  CB  ALA     7     -13.071  -3.524  -5.859          0.180
+ATOM     14  CA  ALA     8      -9.489  -3.799  -3.950          0.029
+ATOM     15  CB  ALA     8      -8.845  -3.874  -3.566          0.041
+ATOM     16  CA  ALA     9     -10.703  -5.709  -0.825          0.020
+ATOM     17  CB  ALA     9     -11.213  -5.626  -0.381          0.015
+ATOM     18  CA  ALA    10     -11.184  -8.794  -3.027          0.003
+ATOM     19  CB  ALA    10     -11.586  -8.642  -3.635          0.007
+ATOM     20  CA  ALA    11      -7.564  -9.702  -2.368          0.058
+ATOM     21  CB  ALA    11      -7.824 -10.367  -2.509          0.074
+ATOM     22  CA  ALA    12      -5.437  -6.722  -3.385          0.030
+ATOM     23  CB  ALA    12      -5.454  -6.421  -4.090          0.013
+ATOM     24  CA  ALA    13      -4.760  -4.932  -0.116          0.045
+ATOM     25  CB  ALA    13      -4.034  -4.704  -0.085          0.073
+ATOM     26  CA  CYS    14      -6.757  -1.714   0.584          0.033
+ATOM     27  CB  CYS    14      -7.905  -1.973   1.021          0.089
+ATOM     28  CA  ALA    15      -4.795  -1.131   3.843          0.026
+ATOM     29  CB  ALA    15      -4.644  -1.376   4.534          0.126
+ATOM     30  CA  ALA    16      -1.779  -0.250   1.648          0.003
+ATOM     31  CB  ALA    16      -2.229  -0.021   1.081          0.056
+ATOM     32  CA  ALA    17      -0.292   1.592   4.538          0.008
+ATOM     33  CB  ALA    17      -0.594   1.760   5.156          0.092
+ATOM     34  CA  GLY    18       3.504   1.229   5.286          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1008.50                                       ENERGY    -2.06912E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -15.818   7.996  -1.400          0.045
+ATOM      2  CA  ALA     2     -13.833   5.045  -0.078          0.019
+ATOM      3  CB  ALA     2     -14.045   4.590   0.518          0.117
+ATOM      4  CA  ALA     3     -15.705   2.663  -2.452          0.018
+ATOM      5  CB  ALA     3     -16.280   2.878  -2.813          0.329
+ATOM      6  CA  ALA     4     -12.691   1.947  -4.685          0.019
+ATOM      7  CB  ALA     4     -12.129   2.457  -4.859          0.071
+ATOM      8  CA  CYS     5     -11.046   0.059  -1.840          0.010
+ATOM      9  CB  CYS     5     -10.983   0.750  -0.700          0.016
+ATOM     10  CA  ALA     6     -14.103  -2.193  -1.619          0.013
+ATOM     11  CB  ALA     6     -14.750  -2.102  -1.270          0.062
+ATOM     12  CA  ALA     7     -13.196  -3.247  -5.202          0.036
+ATOM     13  CB  ALA     7     -13.695  -2.716  -5.395          0.076
+ATOM     14  CA  ALA     8      -9.698  -3.668  -3.961          0.048
+ATOM     15  CB  ALA     8      -9.096  -3.250  -4.196          0.082
+ATOM     16  CA  ALA     9     -10.692  -5.831  -1.024          0.020
+ATOM     17  CB  ALA     9     -11.410  -5.769  -1.252          0.054
+ATOM     18  CA  ALA    10     -10.991  -8.995  -3.176          0.045
+ATOM     19  CB  ALA    10     -11.221  -8.887  -3.860          0.036
+ATOM     20  CA  ALA    11      -7.548 -10.149  -2.026          0.011
+ATOM     21  CB  ALA    11      -6.846 -10.274  -1.824          0.035
+ATOM     22  CA  ALA    12      -5.260  -7.341  -3.022          0.014
+ATOM     23  CB  ALA    12      -5.539  -6.661  -3.242          0.050
+ATOM     24  CA  ALA    13      -4.680  -5.276   0.104          0.013
+ATOM     25  CB  ALA    13      -4.049  -5.133   0.421          0.074
+ATOM     26  CA  CYS    14      -6.497  -1.854  -0.067          0.138
+ATOM     27  CB  CYS    14      -7.658  -1.888  -0.105          0.115
+ATOM     28  CA  ALA    15      -5.036  -0.576   3.200          0.018
+ATOM     29  CB  ALA    15      -5.172  -0.932   3.863          0.165
+ATOM     30  CA  ALA    16      -1.606  -0.088   1.456          0.005
+ATOM     31  CB  ALA    16      -1.008   0.176   1.059          0.015
+ATOM     32  CA  ALA    17      -0.248   1.980   4.303          0.022
+ATOM     33  CB  ALA    17      -0.697   2.037   4.922          0.054
+ATOM     34  CA  GLY    18       3.151   0.449   5.267          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time 1013.50                                       ENERGY    -1.13867E+01
+ATOM      1  CA  GLY     1     -13.861   8.330  -1.106          0.032
+ATOM      2  CA  ALA     2     -13.980   4.685  -0.142          0.024
+ATOM      3  CB  ALA     2     -14.083   4.959   0.509          0.104
+ATOM      4  CA  ALA     3     -16.358   2.318  -1.984          0.057
+ATOM      5  CB  ALA     3     -17.056   2.449  -2.099          0.016
+ATOM      6  CA  ALA     4     -13.565   1.501  -4.316          0.021
+ATOM      7  CB  ALA     4     -13.228   2.070  -4.685          0.105
+ATOM      8  CA  CYS     5     -11.410   0.652  -1.280          0.006
+ATOM      9  CB  CYS     5     -11.283   1.417  -0.376          0.018
+ATOM     10  CA  ALA     6     -13.588  -2.376  -1.013          0.074
+ATOM     11  CB  ALA     6     -14.312  -2.237  -1.041          0.058
+ATOM     12  CA  ALA     7     -13.427  -2.451  -4.826          0.011
+ATOM     13  CB  ALA     7     -13.394  -2.368  -5.617          0.007
+ATOM     14  CA  ALA     8      -9.938  -4.026  -4.742          0.079
+ATOM     15  CB  ALA     8      -9.320  -3.706  -5.113          0.100
+ATOM     16  CA  ALA     9     -10.794  -6.012  -1.684          0.027
+ATOM     17  CB  ALA     9     -11.078  -5.748  -0.974          0.117
+ATOM     18  CA  ALA    10     -10.653  -9.300  -3.413          0.031
+ATOM     19  CB  ALA    10     -10.242  -9.358  -4.056          0.049
+ATOM     20  CA  ALA    11      -7.527 -10.517  -1.640          0.006
+ATOM     21  CB  ALA    11      -7.705 -11.214  -1.742          0.096
+ATOM     22  CA  ALA    12      -5.411  -7.512  -2.623          0.008
+ATOM     23  CB  ALA    12      -5.913  -7.334  -3.135          0.031
+ATOM     24  CA  ALA    13      -4.944  -4.940   0.128          0.006
+ATOM     25  CB  ALA    13      -4.505  -5.076   0.642          0.007
+ATOM     26  CA  CYS    14      -5.805  -1.386  -0.831          0.020
+ATOM     27  CB  CYS    14      -6.996  -1.669  -0.711          0.078
+ATOM     28  CA  ALA    15      -4.800  -0.098   2.631          0.012
+ATOM     29  CB  ALA    15      -4.732  -0.804   2.932          0.178
+ATOM     30  CA  ALA    16      -1.196  -0.130   1.704          0.014
+ATOM     31  CB  ALA    16      -1.081  -0.423   1.034          0.044
+ATOM     32  CA  ALA    17      -0.170   2.522   4.292          0.023
+ATOM     33  CB  ALA    17      -0.442   2.968   4.867          0.032
+ATOM     34  CA  GLY    18       2.394  -0.147   5.452          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1018.50                                       ENERGY    -9.00569E+00
+ATOM      1  CA  GLY     1     -13.004   7.703  -1.706          0.044
+ATOM      2  CA  ALA     2     -14.245   4.924   0.569          0.021
+ATOM      3  CB  ALA     2     -14.612   4.596   1.163          0.105
+ATOM      4  CA  ALA     3     -16.657   2.707  -1.477          0.007
+ATOM      5  CB  ALA     3     -17.418   2.878  -1.490          0.027
+ATOM      6  CA  ALA     4     -13.917   1.887  -4.025          0.006
+ATOM      7  CB  ALA     4     -13.798   2.360  -4.643          0.204
+ATOM      8  CA  CYS     5     -11.377   0.758  -1.481          0.014
+ATOM      9  CB  CYS     5     -11.377   1.569  -0.601          0.015
+ATOM     10  CA  ALA     6     -13.042  -2.617  -0.788          0.008
+ATOM     11  CB  ALA     6     -13.380  -2.740  -0.047          0.145
+ATOM     12  CA  ALA     7     -13.585  -3.048  -4.548          0.023
+ATOM     13  CB  ALA     7     -14.153  -2.597  -4.711          0.018
+ATOM     14  CA  ALA     8      -9.871  -3.903  -4.952          0.038
+ATOM     15  CB  ALA     8      -9.216  -3.503  -5.127          0.069
+ATOM     16  CA  ALA     9      -9.984  -6.188  -1.903          0.025
+ATOM     17  CB  ALA     9     -10.407  -5.771  -1.444          0.031
+ATOM     18  CA  ALA    10     -10.626  -9.343  -3.926          0.010
+ATOM     19  CB  ALA    10     -10.880  -9.334  -4.653          0.162
+ATOM     20  CA  ALA    11      -8.216 -10.941  -1.440          0.019
+ATOM     21  CB  ALA    11      -7.924 -11.531  -1.101          0.001
+ATOM     22  CA  ALA    12      -5.567  -8.275  -2.087          0.014
+ATOM     23  CB  ALA    12      -5.641  -8.039  -2.738          0.024
+ATOM     24  CA  ALA    13      -5.305  -4.847  -0.459          0.023
+ATOM     25  CB  ALA    13      -4.614  -4.765  -0.358          0.047
+ATOM     26  CA  CYS    14      -5.636  -1.127  -1.075          0.031
+ATOM     27  CB  CYS    14      -6.901  -1.251  -1.446          0.035
+ATOM     28  CA  ALA    15      -4.609  -0.158   2.395          0.027
+ATOM     29  CB  ALA    15      -4.402   0.362   2.848          0.015
+ATOM     30  CA  ALA    16      -0.971  -0.331   1.621          0.009
+ATOM     31  CB  ALA    16      -0.280  -0.015   1.281          0.036
+ATOM     32  CA  ALA    17       0.170   2.553   3.813          0.034
+ATOM     33  CB  ALA    17      -0.529   2.600   3.890          0.027
+ATOM     34  CA  GLY    18       1.506   0.343   6.616          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1023.49                                       ENERGY    -2.15228E+01
+ATOM      1  CA  GLY     1     -13.941   6.320  -2.435          0.042
+ATOM      2  CA  ALA     2     -13.744   4.403   0.868          0.082
+ATOM      3  CB  ALA     2     -13.401   4.733   1.519          0.122
+ATOM      4  CA  ALA     3     -16.574   2.549  -0.850          0.025
+ATOM      5  CB  ALA     3     -17.192   2.659  -1.143          0.158
+ATOM      6  CA  ALA     4     -14.318   1.699  -3.797          0.062
+ATOM      7  CB  ALA     4     -14.353   2.430  -4.087          0.053
+ATOM      8  CA  CYS     5     -11.418   0.928  -1.471          0.009
+ATOM      9  CB  CYS     5     -10.924   1.783  -0.691          0.002
+ATOM     10  CA  ALA     6     -13.146  -2.297  -0.522          0.031
+ATOM     11  CB  ALA     6     -13.831  -2.262  -0.512          0.114
+ATOM     12  CA  ALA     7     -13.829  -3.082  -4.146          0.032
+ATOM     13  CB  ALA     7     -13.963  -2.539  -4.701          0.010
+ATOM     14  CA  ALA     8     -10.121  -3.491  -4.612          0.050
+ATOM     15  CB  ALA     8      -9.492  -3.454  -4.937          0.010
+ATOM     16  CA  ALA     9      -9.973  -5.719  -1.493          0.082
+ATOM     17  CB  ALA     9     -10.055  -5.524  -0.764          0.113
+ATOM     18  CA  ALA    10     -10.888  -8.736  -3.672          0.005
+ATOM     19  CB  ALA    10     -10.477  -9.073  -4.204          0.024
+ATOM     20  CA  ALA    11      -8.377 -10.910  -1.805          0.074
+ATOM     21  CB  ALA    11      -8.363 -11.635  -1.915          0.064
+ATOM     22  CA  ALA    12      -5.647  -8.287  -2.068          0.026
+ATOM     23  CB  ALA    12      -5.294  -8.431  -2.673          0.031
+ATOM     24  CA  ALA    13      -4.686  -5.009  -0.415          0.029
+ATOM     25  CB  ALA    13      -4.016  -4.973  -0.099          0.003
+ATOM     26  CA  CYS    14      -5.194  -1.388  -1.598          0.118
+ATOM     27  CB  CYS    14      -6.482  -1.562  -1.466          0.034
+ATOM     28  CA  ALA    15      -4.478   0.172   1.758          0.043
+ATOM     29  CB  ALA    15      -5.189   0.020   1.932          0.094
+ATOM     30  CA  ALA    16      -0.635  -0.400   1.273          0.054
+ATOM     31  CB  ALA    16      -0.538  -0.682   0.629          0.099
+ATOM     32  CA  ALA    17      -0.063   2.675   3.546          0.009
+ATOM     33  CB  ALA    17      -0.383   3.339   3.696          0.011
+ATOM     34  CA  GLY    18       0.021   0.526   6.706          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1028.49                                       ENERGY    -1.47486E+01
+ATOM      1  CA  GLY     1     -14.463   6.930  -2.025          0.045
+ATOM      2  CA  ALA     2     -13.533   4.495   0.754          0.020
+ATOM      3  CB  ALA     2     -13.617   4.467   1.439          0.040
+ATOM      4  CA  ALA     3     -15.887   1.779  -0.423          0.078
+ATOM      5  CB  ALA     3     -16.541   1.686  -0.064          0.089
+ATOM      6  CA  ALA     4     -14.173   1.502  -3.781          0.036
+ATOM      7  CB  ALA     4     -14.262   1.996  -4.322          0.080
+ATOM      8  CA  CYS     5     -10.976   0.581  -1.959          0.006
+ATOM      9  CB  CYS     5     -10.641   1.204  -1.053          0.020
+ATOM     10  CA  ALA     6     -13.418  -1.823  -0.329          0.111
+ATOM     11  CB  ALA     6     -13.902  -1.555   0.253          0.107
+ATOM     12  CA  ALA     7     -14.010  -3.109  -3.801          0.014
+ATOM     13  CB  ALA     7     -14.197  -2.661  -4.332          0.037
+ATOM     14  CA  ALA     8     -10.252  -3.168  -4.474          0.036
+ATOM     15  CB  ALA     8      -9.770  -2.581  -4.437          0.039
+ATOM     16  CA  ALA     9     -10.119  -5.130  -1.248          0.027
+ATOM     17  CB  ALA     9     -10.661  -4.658  -0.956          0.019
+ATOM     18  CA  ALA    10     -10.769  -8.354  -3.116          0.013
+ATOM     19  CB  ALA    10     -11.112  -8.033  -3.728          0.114
+ATOM     20  CA  ALA    11      -8.034 -10.463  -1.603          0.031
+ATOM     21  CB  ALA    11      -8.162 -11.166  -1.883          0.123
+ATOM     22  CA  ALA    12      -5.168  -8.254  -2.697          0.005
+ATOM     23  CB  ALA    12      -5.201  -7.672  -3.269          0.038
+ATOM     24  CA  ALA    13      -4.356  -5.606  -0.162          0.011
+ATOM     25  CB  ALA    13      -3.903  -5.580   0.421          0.141
+ATOM     26  CA  CYS    14      -5.090  -2.329  -2.025          0.035
+ATOM     27  CB  CYS    14      -6.260  -2.252  -1.586          0.014
+ATOM     28  CA  ALA    15      -5.051   0.095   0.909          0.023
+ATOM     29  CB  ALA    15      -4.913  -0.126   1.593          0.086
+ATOM     30  CA  ALA    16      -1.313  -0.372   1.171          0.048
+ATOM     31  CB  ALA    16      -0.801  -0.278   0.617          0.010
+ATOM     32  CA  ALA    17       0.122   2.507   3.264          0.029
+ATOM     33  CB  ALA    17       0.114   3.124   2.959          0.081
+ATOM     34  CA  GLY    18      -1.289   1.084   6.503          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1033.49                                       ENERGY    -1.44534E+01
+ATOM      1  CA  GLY     1     -15.318   7.009  -0.701          0.014
+ATOM      2  CA  ALA     2     -13.424   4.262   1.084          0.011
+ATOM      3  CB  ALA     2     -12.880   4.567   1.458          0.128
+ATOM      4  CA  ALA     3     -15.978   1.982  -0.610          0.012
+ATOM      5  CB  ALA     3     -16.536   2.136  -0.907          0.082
+ATOM      6  CA  ALA     4     -14.026   1.764  -3.841          0.013
+ATOM      7  CB  ALA     4     -13.750   2.359  -4.168          0.114
+ATOM      8  CA  CYS     5     -10.946   0.822  -1.791          0.034
+ATOM      9  CB  CYS     5     -10.340   1.732  -1.224          0.058
+ATOM     10  CA  ALA     6     -13.084  -1.854  -0.014          0.008
+ATOM     11  CB  ALA     6     -13.395  -1.763   0.652          0.011
+ATOM     12  CA  ALA     7     -14.125  -3.183  -3.447          0.052
+ATOM     13  CB  ALA     7     -14.767  -2.933  -3.743          0.030
+ATOM     14  CA  ALA     8     -10.506  -3.849  -4.406          0.040
+ATOM     15  CB  ALA     8     -10.806  -3.504  -4.964          0.147
+ATOM     16  CA  ALA     9      -9.679  -5.498  -1.097          0.027
+ATOM     17  CB  ALA     9      -9.578  -5.304  -0.394          0.027
+ATOM     18  CA  ALA    10     -11.039  -8.381  -3.229          0.041
+ATOM     19  CB  ALA    10     -10.882  -8.268  -3.932          0.102
+ATOM     20  CA  ALA    11      -8.078  -9.869  -1.219          0.022
+ATOM     21  CB  ALA    11      -7.611 -10.389  -1.433          0.018
+ATOM     22  CA  ALA    12      -5.546  -7.826  -3.257          0.027
+ATOM     23  CB  ALA    12      -5.871  -7.312  -3.601          0.067
+ATOM     24  CA  ALA    13      -4.408  -5.749  -0.232          0.039
+ATOM     25  CB  ALA    13      -3.789  -5.930  -0.065          0.025
+ATOM     26  CA  CYS    14      -5.004  -2.409  -1.876          0.021
+ATOM     27  CB  CYS    14      -6.221  -2.376  -1.895          0.009
+ATOM     28  CA  ALA    15      -4.708  -0.156   1.122          0.043
+ATOM     29  CB  ALA    15      -5.453  -0.237   1.302          0.103
+ATOM     30  CA  ALA    16      -0.960  -0.650   1.082          0.025
+ATOM     31  CB  ALA    16      -0.772  -0.982   0.445          0.037
+ATOM     32  CA  ALA    17      -0.159   2.687   2.680          0.037
+ATOM     33  CB  ALA    17      -0.471   3.264   3.045          0.055
+ATOM     34  CA  GLY    18      -1.720   1.634   5.877          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1038.49                                       ENERGY    -9.92576E+00
+ATOM      1  CA  GLY     1     -15.371   7.524   0.696          0.009
+ATOM      2  CA  ALA     2     -13.248   4.392   0.904          0.043
+ATOM      3  CB  ALA     2     -13.236   3.772   1.329          0.081
+ATOM      4  CA  ALA     3     -15.900   2.187  -0.589          0.002
+ATOM      5  CB  ALA     3     -16.057   1.585  -0.874          0.086
+ATOM      6  CA  ALA     4     -13.711   1.598  -3.753          0.003
+ATOM      7  CB  ALA     4     -13.715   1.888  -4.458          0.049
+ATOM      8  CA  CYS     5     -10.429   0.545  -1.923          0.004
+ATOM      9  CB  CYS     5     -10.346   1.819  -1.628          0.028
+ATOM     10  CA  ALA     6     -12.424  -1.711   0.271          0.020
+ATOM     11  CB  ALA     6     -12.979  -1.451   0.607          0.131
+ATOM     12  CA  ALA     7     -14.128  -3.268  -2.696          0.030
+ATOM     13  CB  ALA     7     -14.667  -2.944  -3.080          0.078
+ATOM     14  CA  ALA     8     -10.771  -3.836  -4.496          0.004
+ATOM     15  CB  ALA     8     -10.620  -3.314  -4.999          0.079
+ATOM     16  CA  ALA     9     -10.086  -5.281  -1.017          0.044
+ATOM     17  CB  ALA     9     -10.333  -5.140  -0.382          0.073
+ATOM     18  CA  ALA    10     -11.068  -8.817  -2.210          0.049
+ATOM     19  CB  ALA    10     -11.210  -9.071  -2.899          0.095
+ATOM     20  CA  ALA    11      -7.528 -10.085  -1.724          0.013
+ATOM     21  CB  ALA    11      -7.899 -10.795  -1.596          0.060
+ATOM     22  CA  ALA    12      -5.952  -7.254  -3.701          0.028
+ATOM     23  CB  ALA    12      -6.609  -7.006  -3.994          0.093
+ATOM     24  CA  ALA    13      -4.396  -5.439  -0.817          0.010
+ATOM     25  CB  ALA    13      -3.820  -5.253  -0.383          0.049
+ATOM     26  CA  CYS    14      -4.833  -2.015  -2.280          0.032
+ATOM     27  CB  CYS    14      -6.047  -2.095  -2.237          0.056
+ATOM     28  CA  ALA    15      -4.839  -0.569   1.242          0.018
+ATOM     29  CB  ALA    15      -4.809  -0.823   1.922          0.129
+ATOM     30  CA  ALA    16      -1.083  -0.714   1.230          0.035
+ATOM     31  CB  ALA    16      -0.534  -1.149   0.884          0.069
+ATOM     32  CA  ALA    17      -0.850   2.926   2.290          0.051
+ATOM     33  CB  ALA    17      -1.135   2.811   1.658          0.015
+ATOM     34  CA  GLY    18      -1.626   1.873   5.954          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1043.49                                       ENERGY    -1.30148E+01
+ATOM      1  CA  GLY     1     -15.637   6.156   1.080          0.005
+ATOM      2  CA  ALA     2     -12.706   3.803   0.627          0.003
+ATOM      3  CB  ALA     2     -12.272   4.271   1.052          0.001
+ATOM      4  CA  ALA     3     -15.693   1.876  -0.697          0.069
+ATOM      5  CB  ALA     3     -16.376   2.259  -0.471          0.051
+ATOM      6  CA  ALA     4     -13.949   1.219  -4.025          0.032
+ATOM      7  CB  ALA     4     -14.024   1.836  -4.554          0.004
+ATOM      8  CA  CYS     5     -10.640   0.914  -2.182          0.025
+ATOM      9  CB  CYS     5      -9.892   1.722  -1.641          0.067
+ATOM     10  CA  ALA     6     -12.018  -1.566   0.440          0.070
+ATOM     11  CB  ALA     6     -12.608  -1.165   0.676          0.112
+ATOM     12  CA  ALA     7     -14.050  -3.189  -2.317          0.042
+ATOM     13  CB  ALA     7     -14.337  -2.672  -2.693          0.078
+ATOM     14  CA  ALA     8     -10.896  -4.050  -4.173          0.001
+ATOM     15  CB  ALA     8     -10.193  -3.868  -4.120          0.054
+ATOM     16  CA  ALA     9     -10.086  -5.167  -0.594          0.011
+ATOM     17  CB  ALA     9     -10.564  -4.859  -0.084          0.079
+ATOM     18  CA  ALA    10     -11.094  -8.662  -1.660          0.013
+ATOM     19  CB  ALA    10     -11.788  -8.568  -1.885          0.025
+ATOM     20  CA  ALA    11      -7.672 -10.351  -2.137          0.012
+ATOM     21  CB  ALA    11      -6.970 -10.516  -2.372          0.037
+ATOM     22  CA  ALA    12      -6.238  -7.421  -4.170          0.042
+ATOM     23  CB  ALA    12      -6.861  -7.018  -4.321          0.085
+ATOM     24  CA  ALA    13      -4.639  -5.261  -1.478          0.009
+ATOM     25  CB  ALA    13      -4.089  -5.686  -1.535          0.030
+ATOM     26  CA  CYS    14      -4.980  -1.465  -2.064          0.059
+ATOM     27  CB  CYS    14      -6.172  -1.455  -1.883          0.029
+ATOM     28  CA  ALA    15      -4.667  -0.953   1.687          0.021
+ATOM     29  CB  ALA    15      -5.083  -1.319   2.175          0.179
+ATOM     30  CA  ALA    16      -0.888  -0.954   1.286          0.046
+ATOM     31  CB  ALA    16      -0.822  -1.430   0.735          0.070
+ATOM     32  CA  ALA    17      -1.360   2.853   1.576          0.054
+ATOM     33  CB  ALA    17      -2.009   3.129   1.690          0.044
+ATOM     34  CA  GLY    18      -1.213   2.574   5.305          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1048.48                                       ENERGY    -1.68116E+01
+ATOM      1  CA  GLY     1     -15.488   6.947   1.936          0.011
+ATOM      2  CA  ALA     2     -12.972   4.571   0.264          0.078
+ATOM      3  CB  ALA     2     -12.611   3.921   0.360          0.133
+ATOM      4  CA  ALA     3     -15.349   1.773  -0.457          0.083
+ATOM      5  CB  ALA     3     -16.093   1.832  -0.395          0.023
+ATOM      6  CA  ALA     4     -13.792   1.602  -3.939          0.076
+ATOM      7  CB  ALA     4     -13.851   2.167  -4.513          0.003
+ATOM      8  CA  CYS     5     -10.551   0.806  -2.266          0.043
+ATOM      9  CB  CYS     5      -9.762   1.702  -2.158          0.044
+ATOM     10  CA  ALA     6     -12.384  -1.118   0.484          0.086
+ATOM     11  CB  ALA     6     -12.327  -0.870   1.123          0.052
+ATOM     12  CA  ALA     7     -13.718  -3.669  -2.061          0.057
+ATOM     13  CB  ALA     7     -14.441  -3.599  -2.345          0.019
+ATOM     14  CA  ALA     8     -10.219  -4.081  -3.417          0.034
+ATOM     15  CB  ALA     8     -10.026  -3.570  -3.911          0.098
+ATOM     16  CA  ALA     9      -9.248  -5.684  -0.168          0.008
+ATOM     17  CB  ALA     9      -9.173  -5.689   0.605          0.111
+ATOM     18  CA  ALA    10     -10.861  -8.804  -1.470          0.016
+ATOM     19  CB  ALA    10     -11.346  -8.711  -2.052          0.087
+ATOM     20  CA  ALA    11      -7.610 -10.293  -2.502          0.008
+ATOM     21  CB  ALA    11      -7.776 -10.916  -2.193          0.083
+ATOM     22  CA  ALA    12      -6.815  -7.238  -4.708          0.041
+ATOM     23  CB  ALA    12      -7.320  -7.037  -5.106          0.052
+ATOM     24  CA  ALA    13      -5.096  -5.134  -2.021          0.039
+ATOM     25  CB  ALA    13      -4.387  -4.953  -2.214          0.066
+ATOM     26  CA  CYS    14      -5.668  -1.445  -1.627          0.014
+ATOM     27  CB  CYS    14      -6.861  -1.418  -1.507          0.094
+ATOM     28  CA  ALA    15      -4.825  -1.603   1.972          0.020
+ATOM     29  CB  ALA    15      -4.759  -2.164   2.509          0.096
+ATOM     30  CA  ALA    16      -1.156  -1.042   1.433          0.008
+ATOM     31  CB  ALA    16      -1.141  -0.841   0.745          0.040
+ATOM     32  CA  ALA    17      -1.693   2.764   1.129          0.055
+ATOM     33  CB  ALA    17      -2.058   3.402   0.852          0.074
+ATOM     34  CA  GLY    18      -0.510   3.146   4.695          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1053.46                                       ENERGY    -2.63237E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -15.149   6.850   2.660          0.008
+ATOM      2  CA  ALA     2     -13.235   5.364  -0.246          0.066
+ATOM      3  CB  ALA     2     -12.555   5.244  -0.502          0.130
+ATOM      4  CA  ALA     3     -15.510   2.310  -0.371          0.066
+ATOM      5  CB  ALA     3     -16.195   2.346  -0.266          0.059
+ATOM      6  CA  ALA     4     -14.147   1.290  -3.705          0.058
+ATOM      7  CB  ALA     4     -14.204   1.918  -3.982          0.177
+ATOM      8  CA  CYS     5     -10.757   0.687  -2.019          0.026
+ATOM      9  CB  CYS     5      -9.860   1.528  -1.697          0.091
+ATOM     10  CA  ALA     6     -12.333  -1.124   0.907          0.027
+ATOM     11  CB  ALA     6     -13.010  -0.809   1.081          0.030
+ATOM     12  CA  ALA     7     -13.768  -3.828  -1.302          0.026
+ATOM     13  CB  ALA     7     -13.975  -3.678  -2.034          0.032
+ATOM     14  CA  ALA     8     -10.559  -4.020  -3.327          0.055
+ATOM     15  CB  ALA     8     -10.270  -3.568  -3.896          0.173
+ATOM     16  CA  ALA     9      -8.935  -5.589  -0.274          0.024
+ATOM     17  CB  ALA     9      -9.124  -5.174   0.235          0.073
+ATOM     18  CA  ALA    10     -10.577  -8.964  -1.180          0.042
+ATOM     19  CB  ALA    10     -11.279  -9.067  -1.293          0.047
+ATOM     20  CA  ALA    11      -7.623 -10.589  -2.812          0.013
+ATOM     21  CB  ALA    11      -7.333 -11.259  -3.110          0.111
+ATOM     22  CA  ALA    12      -6.707  -7.416  -4.745          0.036
+ATOM     23  CB  ALA    12      -7.064  -7.346  -5.397          0.079
+ATOM     24  CA  ALA    13      -4.895  -5.027  -2.411          0.074
+ATOM     25  CB  ALA    13      -4.438  -4.891  -2.925          0.033
+ATOM     26  CA  CYS    14      -5.742  -1.435  -1.516          0.007
+ATOM     27  CB  CYS    14      -6.967  -1.352  -1.541          0.060
+ATOM     28  CA  ALA    15      -4.407  -2.167   1.939          0.038
+ATOM     29  CB  ALA    15      -4.704  -2.454   2.507          0.082
+ATOM     30  CA  ALA    16      -0.844  -1.076   1.050          0.024
+ATOM     31  CB  ALA    16      -0.301  -1.254   0.655          0.059
+ATOM     32  CA  ALA    17      -2.093   2.482   1.075          0.094
+ATOM     33  CB  ALA    17      -2.815   2.490   0.956          0.110
+ATOM     34  CA  GLY    18      -0.332   4.409   3.892          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time 1058.37                                       ENERGY    -1.42151E+01
+ATOM      1  CA  GLY     1     -14.366   7.520   2.752          0.021
+ATOM      2  CA  ALA     2     -13.662   5.788  -0.560          0.056
+ATOM      3  CB  ALA     2     -12.955   5.728  -0.557          0.005
+ATOM      4  CA  ALA     3     -15.577   2.535   0.086          0.039
+ATOM      5  CB  ALA     3     -16.072   2.471   0.548          0.001
+ATOM      6  CA  ALA     4     -14.430   1.246  -3.243          0.062
+ATOM      7  CB  ALA     4     -14.114   1.326  -3.915          0.047
+ATOM      8  CA  CYS     5     -10.942   0.804  -1.682          0.013
+ATOM      9  CB  CYS     5     -10.105   1.738  -1.444          0.021
+ATOM     10  CA  ALA     6     -12.511  -1.629   0.850          0.033
+ATOM     11  CB  ALA     6     -13.073  -1.404   1.326          0.057
+ATOM     12  CA  ALA     7     -14.352  -3.417  -1.933          0.017
+ATOM     13  CB  ALA     7     -15.083  -3.314  -1.999          0.031
+ATOM     14  CA  ALA     8     -10.823  -4.261  -3.291          0.023
+ATOM     15  CB  ALA     8     -10.973  -3.563  -3.560          0.048
+ATOM     16  CA  ALA     9      -9.574  -5.475   0.100          0.002
+ATOM     17  CB  ALA     9      -9.895  -5.386   0.812          0.252
+ATOM     18  CA  ALA    10     -10.103  -9.084  -0.890          0.001
+ATOM     19  CB  ALA    10     -10.283  -8.800  -1.627          0.048
+ATOM     20  CA  ALA    11      -7.286 -10.595  -2.881          0.073
+ATOM     21  CB  ALA    11      -7.429 -11.179  -3.330          0.132
+ATOM     22  CA  ALA    12      -6.698  -7.313  -4.652          0.038
+ATOM     23  CB  ALA    12      -7.300  -7.094  -4.491          0.081
+ATOM     24  CA  ALA    13      -3.988  -4.970  -3.254          0.013
+ATOM     25  CB  ALA    13      -3.246  -5.115  -3.461          0.057
+ATOM     26  CA  CYS    14      -5.283  -1.673  -1.851          0.004
+ATOM     27  CB  CYS    14      -6.412  -1.583  -1.221          0.025
+ATOM     28  CA  ALA    15      -4.152  -2.680   1.624          0.033
+ATOM     29  CB  ALA    15      -4.086  -3.398   1.818          0.121
+ATOM     30  CA  ALA    16      -0.731  -0.989   1.399          0.012
+ATOM     31  CB  ALA    16      -0.917  -1.465   0.746          0.071
+ATOM     32  CA  ALA    17      -2.233   2.438   0.754          0.040
+ATOM     33  CB  ALA    17      -2.958   2.158   0.884          0.167
+ATOM     34  CA  GLY    18      -0.492   5.192   2.517          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1063.37                                       ENERGY    -1.07121E+01
+ATOM      1  CA  GLY     1     -13.342   9.030   1.918          0.015
+ATOM      2  CA  ALA     2     -14.208   5.782   0.226          0.016
+ATOM      3  CB  ALA     2     -13.859   5.300  -0.271          0.084
+ATOM      4  CA  ALA     3     -15.544   2.288   0.557          0.043
+ATOM      5  CB  ALA     3     -16.051   2.401   0.024          0.008
+ATOM      6  CA  ALA     4     -14.347   1.405  -2.937          0.017
+ATOM      7  CB  ALA     4     -14.742   1.826  -3.341          0.051
+ATOM      8  CA  CYS     5     -10.979   0.522  -1.356          0.005
+ATOM      9  CB  CYS     5     -10.698   1.694  -1.093          0.028
+ATOM     10  CA  ALA     6     -12.673  -1.716   1.270          0.002
+ATOM     11  CB  ALA     6     -12.832  -1.504   1.942          0.042
+ATOM     12  CA  ALA     7     -14.473  -3.314  -1.631          0.004
+ATOM     13  CB  ALA     7     -14.525  -2.870  -2.193          0.064
+ATOM     14  CA  ALA     8     -11.237  -4.355  -3.299          0.073
+ATOM     15  CB  ALA     8     -11.042  -4.046  -4.019          0.064
+ATOM     16  CA  ALA     9      -9.906  -5.721  -0.098          0.077
+ATOM     17  CB  ALA     9     -10.204  -5.154   0.301          0.121
+ATOM     18  CA  ALA    10     -10.558  -9.232  -1.394          0.040
+ATOM     19  CB  ALA    10     -11.197  -9.499  -1.620          0.025
+ATOM     20  CA  ALA    11      -6.886  -9.621  -2.181          0.034
+ATOM     21  CB  ALA    11      -6.650 -10.192  -2.569          0.295
+ATOM     22  CA  ALA    12      -6.488  -6.748  -4.509          0.032
+ATOM     23  CB  ALA    12      -6.852  -6.133  -4.057          0.018
+ATOM     24  CA  ALA    13      -3.233  -5.078  -3.579          0.082
+ATOM     25  CB  ALA    13      -2.697  -4.866  -4.099          0.072
+ATOM     26  CA  CYS    14      -5.163  -2.225  -1.871          0.070
+ATOM     27  CB  CYS    14      -6.347  -2.294  -1.582          0.001
+ATOM     28  CA  ALA    15      -3.648  -3.100   1.544          0.046
+ATOM     29  CB  ALA    15      -3.874  -3.766   1.874          0.008
+ATOM     30  CA  ALA    16      -0.485  -0.975   1.074          0.006
+ATOM     31  CB  ALA    16       0.027  -0.937   0.559          0.020
+ATOM     32  CA  ALA    17      -2.934   1.858   0.315          0.021
+ATOM     33  CB  ALA    17      -2.768   1.788   1.019          0.051
+ATOM     34  CA  GLY    18      -1.014   5.007   1.205          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1068.27                                       ENERGY    -9.74851E+00
+ATOM      1  CA  GLY     1     -13.273   8.855   1.630          0.017
+ATOM      2  CA  ALA     2     -14.413   5.718  -0.108          0.010
+ATOM      3  CB  ALA     2     -13.794   5.578  -0.499          0.072
+ATOM      4  CA  ALA     3     -15.604   2.324   1.086          0.080
+ATOM      5  CB  ALA     3     -16.200   2.595   1.469          0.090
+ATOM      6  CA  ALA     4     -14.612   1.352  -2.453          0.017
+ATOM      7  CB  ALA     4     -14.361   1.392  -3.121          0.075
+ATOM      8  CA  CYS     5     -11.007   0.889  -1.202          0.008
+ATOM      9  CB  CYS     5     -10.709   1.843  -0.480          0.004
+ATOM     10  CA  ALA     6     -12.418  -1.825   1.013          0.011
+ATOM     11  CB  ALA     6     -12.967  -1.614   1.445          0.113
+ATOM     12  CA  ALA     7     -14.839  -3.236  -1.525          0.015
+ATOM     13  CB  ALA     7     -15.412  -2.899  -1.807          0.019
+ATOM     14  CA  ALA     8     -11.813  -4.292  -3.679          0.002
+ATOM     15  CB  ALA     8     -11.219  -4.440  -4.065          0.038
+ATOM     16  CA  ALA     9     -10.154  -5.438  -0.435          0.007
+ATOM     17  CB  ALA     9     -10.248  -5.586   0.291          0.075
+ATOM     18  CA  ALA    10     -10.796  -9.135  -1.179          0.008
+ATOM     19  CB  ALA    10     -11.168  -9.513  -1.758          0.067
+ATOM     20  CA  ALA    11      -7.180  -9.694  -2.004          0.030
+ATOM     21  CB  ALA    11      -6.543  -9.525  -1.549          0.016
+ATOM     22  CA  ALA    12      -5.987  -6.836  -4.242          0.020
+ATOM     23  CB  ALA    12      -6.569  -6.391  -4.473          0.102
+ATOM     24  CA  ALA    13      -2.926  -4.625  -3.736          0.049
+ATOM     25  CB  ALA    13      -2.457  -4.408  -4.266          0.081
+ATOM     26  CA  CYS    14      -4.849  -2.035  -1.718          0.021
+ATOM     27  CB  CYS    14      -6.097  -1.951  -1.629          0.012
+ATOM     28  CA  ALA    15      -3.130  -3.585   1.298          0.030
+ATOM     29  CB  ALA    15      -2.649  -4.110   1.456          0.174
+ATOM     30  CA  ALA    16      -0.362  -0.997   0.935          0.019
+ATOM     31  CB  ALA    16      -0.027  -1.187   0.177          0.114
+ATOM     32  CA  ALA    17      -3.116   1.623   0.206          0.052
+ATOM     33  CB  ALA    17      -3.291   1.188   0.818          0.077
+ATOM     34  CA  GLY    18      -1.226   4.827  -0.049          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1073.26                                       ENERGY    -1.16498E+01
+ATOM      1  CA  GLY     1     -14.334   8.329   2.373          0.003
+ATOM      2  CA  ALA     2     -13.542   6.073  -0.639          0.071
+ATOM      3  CB  ALA     2     -13.279   5.426  -0.997          0.082
+ATOM      4  CA  ALA     3     -15.252   3.168   1.003          0.054
+ATOM      5  CB  ALA     3     -15.634   2.922   1.610          0.011
+ATOM      6  CA  ALA     4     -15.024   1.217  -2.204          0.027
+ATOM      7  CB  ALA     4     -15.337   1.860  -2.424          0.034
+ATOM      8  CA  CYS     5     -11.361   0.552  -1.307          0.001
+ATOM      9  CB  CYS     5     -11.274   1.375  -0.428          0.030
+ATOM     10  CA  ALA     6     -12.782  -1.831   1.388          0.001
+ATOM     11  CB  ALA     6     -12.636  -1.762   2.113          0.045
+ATOM     12  CA  ALA     7     -14.955  -3.394  -1.305          0.024
+ATOM     13  CB  ALA     7     -15.143  -3.079  -1.938          0.097
+ATOM     14  CA  ALA     8     -11.988  -4.215  -3.484          0.008
+ATOM     15  CB  ALA     8     -11.590  -4.041  -4.115          0.100
+ATOM     16  CA  ALA     9     -10.332  -5.299  -0.293          0.006
+ATOM     17  CB  ALA     9     -10.660  -5.450   0.313          0.132
+ATOM     18  CA  ALA    10     -10.294  -8.825  -1.627          0.012
+ATOM     19  CB  ALA    10     -10.929  -8.921  -2.056          0.078
+ATOM     20  CA  ALA    11      -6.634  -9.613  -1.439          0.032
+ATOM     21  CB  ALA    11      -6.868 -10.265  -1.606          0.040
+ATOM     22  CA  ALA    12      -5.877  -6.916  -4.095          0.030
+ATOM     23  CB  ALA    12      -6.594  -6.693  -4.055          0.044
+ATOM     24  CA  ALA    13      -3.022  -4.307  -4.190          0.004
+ATOM     25  CB  ALA    13      -3.113  -3.884  -4.800          0.047
+ATOM     26  CA  CYS    14      -4.787  -2.261  -1.522          0.052
+ATOM     27  CB  CYS    14      -6.017  -2.306  -1.353          0.073
+ATOM     28  CA  ALA    15      -2.454  -3.966   0.969          0.064
+ATOM     29  CB  ALA    15      -2.192  -4.663   1.124          0.052
+ATOM     30  CA  ALA    16      -0.113  -0.993   0.853          0.048
+ATOM     31  CB  ALA    16       0.196  -0.849   0.346          0.060
+ATOM     32  CA  ALA    17      -2.824   1.539   0.037          0.034
+ATOM     33  CB  ALA    17      -3.592   1.618   0.113          0.071
+ATOM     34  CA  GLY    18      -1.371   4.955  -0.815          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1078.26                                       ENERGY    -1.07411E+01
+ATOM      1  CA  GLY     1     -14.565   8.908   2.536          0.020
+ATOM      2  CA  ALA     2     -13.383   6.380  -0.029          0.012
+ATOM      3  CB  ALA     2     -12.785   6.764  -0.291          0.242
+ATOM      4  CA  ALA     3     -15.226   3.261   1.242          0.025
+ATOM      5  CB  ALA     3     -15.829   3.688   1.365          0.016
+ATOM      6  CA  ALA     4     -15.121   1.662  -2.145          0.031
+ATOM      7  CB  ALA     4     -15.173   1.779  -2.920          0.013
+ATOM      8  CA  CYS     5     -11.687   0.421  -1.456          0.029
+ATOM      9  CB  CYS     5     -11.526   1.290  -0.578          0.012
+ATOM     10  CA  ALA     6     -12.865  -1.808   1.382          0.059
+ATOM     11  CB  ALA     6     -13.457  -1.602   1.765          0.039
+ATOM     12  CA  ALA     7     -14.864  -4.036  -1.017          0.008
+ATOM     13  CB  ALA     7     -15.532  -3.809  -0.786          0.091
+ATOM     14  CA  ALA     8     -11.911  -4.455  -3.362          0.020
+ATOM     15  CB  ALA     8     -11.913  -4.268  -4.025          0.093
+ATOM     16  CA  ALA     9      -9.661  -5.734  -0.569          0.019
+ATOM     17  CB  ALA     9      -9.912  -5.419   0.132          0.080
+ATOM     18  CA  ALA    10     -10.311  -9.344  -1.502          0.006
+ATOM     19  CB  ALA    10     -10.095  -9.199  -2.218          0.055
+ATOM     20  CA  ALA    11      -6.550  -9.811  -1.439          0.004
+ATOM     21  CB  ALA    11      -6.169 -10.286  -1.905          0.158
+ATOM     22  CA  ALA    12      -6.257  -7.012  -3.915          0.035
+ATOM     23  CB  ALA    12      -6.734  -6.539  -3.778          0.022
+ATOM     24  CA  ALA    13      -3.711  -4.192  -4.286          0.027
+ATOM     25  CB  ALA    13      -3.644  -4.023  -5.009          0.040
+ATOM     26  CA  CYS    14      -5.145  -2.425  -1.225          0.031
+ATOM     27  CB  CYS    14      -6.381  -2.142  -1.001          0.067
+ATOM     28  CA  ALA    15      -2.229  -4.113   0.617          0.031
+ATOM     29  CB  ALA    15      -1.969  -4.752   0.665          0.059
+ATOM     30  CA  ALA    16      -0.006  -1.004   0.637          0.013
+ATOM     31  CB  ALA    16       0.632  -0.766   0.295          0.113
+ATOM     32  CA  ALA    17      -2.426   1.715  -0.548          0.006
+ATOM     33  CB  ALA    17      -3.058   1.544  -0.207          0.048
+ATOM     34  CA  GLY    18      -1.350   5.266  -1.178          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1083.26                                       ENERGY    -1.35385E+01
+ATOM      1  CA  GLY     1     -14.552   9.756   2.533          0.032
+ATOM      2  CA  ALA     2     -13.483   6.761   0.411          0.028
+ATOM      3  CB  ALA     2     -12.813   6.403   0.346          0.073
+ATOM      4  CA  ALA     3     -15.085   3.425   1.299          0.069
+ATOM      5  CB  ALA     3     -15.735   3.451   1.531          0.097
+ATOM      6  CA  ALA     4     -15.352   1.566  -2.059          0.015
+ATOM      7  CB  ALA     4     -15.399   1.864  -2.765          0.069
+ATOM      8  CA  CYS     5     -11.908   0.195  -1.659          0.011
+ATOM      9  CB  CYS     5     -11.246   1.025  -0.989          0.005
+ATOM     10  CA  ALA     6     -12.777  -1.997   1.336          0.007
+ATOM     11  CB  ALA     6     -12.822  -1.620   1.974          0.030
+ATOM     12  CA  ALA     7     -14.730  -4.196  -1.033          0.020
+ATOM     13  CB  ALA     7     -15.463  -4.052  -1.088          0.168
+ATOM     14  CA  ALA     8     -11.635  -4.817  -3.033          0.065
+ATOM     15  CB  ALA     8     -10.952  -4.455  -3.096          0.034
+ATOM     16  CA  ALA     9      -9.775  -6.169   0.070          0.059
+ATOM     17  CB  ALA     9     -10.114  -5.818   0.522          0.088
+ATOM     18  CA  ALA    10     -10.251  -9.664  -1.161          0.003
+ATOM     19  CB  ALA    10     -10.840 -10.015  -1.218          0.040
+ATOM     20  CA  ALA    11      -6.529  -9.617  -2.121          0.020
+ATOM     21  CB  ALA    11      -6.191 -10.360  -2.062          0.068
+ATOM     22  CA  ALA    12      -6.576  -6.512  -4.285          0.009
+ATOM     23  CB  ALA    12      -7.048  -6.398  -3.755          0.113
+ATOM     24  CA  ALA    13      -3.819  -3.878  -4.465          0.011
+ATOM     25  CB  ALA    13      -3.802  -3.496  -5.058          0.110
+ATOM     26  CA  CYS    14      -5.073  -1.834  -1.508          0.018
+ATOM     27  CB  CYS    14      -6.298  -1.944  -1.216          0.058
+ATOM     28  CA  ALA    15      -2.762  -3.482   0.991          0.091
+ATOM     29  CB  ALA    15      -2.504  -4.099   0.668          0.129
+ATOM     30  CA  ALA    16       0.154  -1.175   0.152          0.026
+ATOM     31  CB  ALA    16       0.520  -1.574  -0.215          0.027
+ATOM     32  CA  ALA    17      -2.285   1.450  -1.016          0.007
+ATOM     33  CB  ALA    17      -2.664   1.800  -0.526          0.018
+ATOM     34  CA  GLY    18      -1.172   5.028  -1.281          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1088.12                                       ENERGY    -1.34133E+01
+ATOM      1  CA  GLY     1     -13.598   9.387   2.607          0.035
+ATOM      2  CA  ALA     2     -14.091   6.516   0.139          0.032
+ATOM      3  CB  ALA     2     -13.383   6.401   0.324          0.029
+ATOM      4  CA  ALA     3     -14.823   3.063   1.439          0.032
+ATOM      5  CB  ALA     3     -15.172   2.526   1.882          0.082
+ATOM      6  CA  ALA     4     -15.025   1.334  -1.833          0.011
+ATOM      7  CB  ALA     4     -15.537   1.729  -2.271          0.065
+ATOM      8  CA  CYS     5     -11.452   0.256  -1.518          0.003
+ATOM      9  CB  CYS     5     -10.997   1.426  -1.223          0.052
+ATOM     10  CA  ALA     6     -12.558  -1.907   1.405          0.028
+ATOM     11  CB  ALA     6     -13.204  -1.854   1.780          0.071
+ATOM     12  CA  ALA     7     -14.372  -4.266  -1.003          0.020
+ATOM     13  CB  ALA     7     -14.883  -4.302  -1.529          0.116
+ATOM     14  CA  ALA     8     -11.060  -5.153  -2.617          0.006
+ATOM     15  CB  ALA     8     -11.060  -4.807  -3.258          0.101
+ATOM     16  CA  ALA     9      -9.932  -6.226   0.849          0.020
+ATOM     17  CB  ALA     9     -10.201  -6.088   1.433          0.041
+ATOM     18  CA  ALA    10     -10.259  -9.840  -0.221          0.011
+ATOM     19  CB  ALA    10     -10.473  -9.912  -0.905          0.134
+ATOM     20  CA  ALA    11      -7.099  -9.388  -2.355          0.022
+ATOM     21  CB  ALA    11      -6.893  -9.652  -3.018          0.091
+ATOM     22  CA  ALA    12      -6.571  -6.110  -4.081          0.026
+ATOM     23  CB  ALA    12      -7.106  -5.583  -4.016          0.020
+ATOM     24  CA  ALA    13      -3.876  -3.456  -4.393          0.007
+ATOM     25  CB  ALA    13      -3.469  -3.346  -4.853          0.050
+ATOM     26  CA  CYS    14      -5.532  -1.497  -1.569          0.017
+ATOM     27  CB  CYS    14      -6.755  -1.770  -1.494          0.053
+ATOM     28  CA  ALA    15      -3.194  -3.131   0.928          0.009
+ATOM     29  CB  ALA    15      -3.440  -3.867   0.908          0.136
+ATOM     30  CA  ALA    16      -0.174  -1.553  -0.844          0.022
+ATOM     31  CB  ALA    16       0.397  -1.670  -1.326          0.191
+ATOM     32  CA  ALA    17      -2.392   1.487  -1.294          0.030
+ATOM     33  CB  ALA    17      -2.402   1.584  -0.567          0.035
+ATOM     34  CA  GLY    18      -0.354   4.726  -1.325          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1093.07                                       ENERGY    -1.40711E+01
+ATOM      1  CA  GLY     1     -12.802   8.587   2.670          0.003
+ATOM      2  CA  ALA     2     -14.333   6.003   0.218          0.014
+ATOM      3  CB  ALA     2     -13.756   5.879  -0.151          0.038
+ATOM      4  CA  ALA     3     -14.828   2.603   1.731          0.028
+ATOM      5  CB  ALA     3     -15.365   2.782   2.102          0.028
+ATOM      6  CA  ALA     4     -15.096   1.035  -1.880          0.016
+ATOM      7  CB  ALA     4     -14.911   1.517  -2.355          0.086
+ATOM      8  CA  CYS     5     -11.422   0.111  -1.497          0.007
+ATOM      9  CB  CYS     5     -11.145   1.168  -0.953          0.057
+ATOM     10  CA  ALA     6     -12.529  -1.732   1.646          0.023
+ATOM     11  CB  ALA     6     -12.979  -1.348   2.148          0.131
+ATOM     12  CA  ALA     7     -14.523  -3.931  -0.755          0.050
+ATOM     13  CB  ALA     7     -14.701  -3.290  -1.103          0.055
+ATOM     14  CA  ALA     8     -11.331  -5.000  -2.509          0.017
+ATOM     15  CB  ALA     8     -11.111  -4.756  -3.162          0.279
+ATOM     16  CA  ALA     9      -9.508  -5.984   0.725          0.068
+ATOM     17  CB  ALA     9      -9.901  -5.938   1.368          0.069
+ATOM     18  CA  ALA    10      -9.766  -9.708  -0.184          0.024
+ATOM     19  CB  ALA    10     -10.290  -9.797   0.305          0.037
+ATOM     20  CA  ALA    11      -7.080  -9.615  -2.840          0.037
+ATOM     21  CB  ALA    11      -6.905 -10.280  -3.086          0.086
+ATOM     22  CA  ALA    12      -6.780  -6.224  -4.547          0.024
+ATOM     23  CB  ALA    12      -7.076  -5.626  -4.168          0.033
+ATOM     24  CA  ALA    13      -4.081  -3.543  -4.598          0.020
+ATOM     25  CB  ALA    13      -3.873  -2.978  -5.021          0.276
+ATOM     26  CA  CYS    14      -5.983  -1.553  -1.883          0.040
+ATOM     27  CB  CYS    14      -7.090  -1.962  -1.382          0.010
+ATOM     28  CA  ALA    15      -3.713  -2.647   0.883          0.055
+ATOM     29  CB  ALA    15      -3.558  -3.295   1.155          0.065
+ATOM     30  CA  ALA    16      -0.711  -1.616  -1.308          0.041
+ATOM     31  CB  ALA    16      -0.961  -1.951  -1.873          0.017
+ATOM     32  CA  ALA    17      -1.542   2.070  -1.173          0.028
+ATOM     33  CB  ALA    17      -2.180   1.867  -0.766          0.051
+ATOM     34  CA  GLY    18       1.225   4.820  -1.444          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1098.07                                       ENERGY    -1.34778E+01
+ATOM      1  CA  GLY     1     -12.782   8.223   2.855          0.042
+ATOM      2  CA  ALA     2     -13.288   5.319   0.259          0.019
+ATOM      3  CB  ALA     2     -13.105   4.915  -0.326          0.105
+ATOM      4  CA  ALA     3     -15.687   2.733   1.379          0.022
+ATOM      5  CB  ALA     3     -16.371   2.573   1.676          0.037
+ATOM      6  CA  ALA     4     -15.276   0.577  -1.752          0.065
+ATOM      7  CB  ALA     4     -15.497   0.980  -2.303          0.107
+ATOM      8  CA  CYS     5     -11.438   0.563  -1.204          0.019
+ATOM      9  CB  CYS     5     -10.759   1.370  -0.602          0.017
+ATOM     10  CA  ALA     6     -11.718  -1.839   1.790          0.030
+ATOM     11  CB  ALA     6     -11.564  -1.976   2.438          0.065
+ATOM     12  CA  ALA     7     -14.562  -3.756   0.072          0.006
+ATOM     13  CB  ALA     7     -15.072  -3.493  -0.483          0.084
+ATOM     14  CA  ALA     8     -12.153  -5.273  -2.369          0.027
+ATOM     15  CB  ALA     8     -12.054  -4.715  -2.850          0.024
+ATOM     16  CA  ALA     9      -9.163  -5.468  -0.041          0.006
+ATOM     17  CB  ALA     9      -9.003  -5.215   0.673          0.249
+ATOM     18  CA  ALA    10      -9.639  -9.221   0.040          0.008
+ATOM     19  CB  ALA    10      -9.857  -9.340  -0.658          0.002
+ATOM     20  CA  ALA    11      -6.753  -9.603  -2.357          0.014
+ATOM     21  CB  ALA    11      -6.818 -10.067  -2.972          0.139
+ATOM     22  CA  ALA    12      -7.050  -6.441  -4.438          0.042
+ATOM     23  CB  ALA    12      -7.807  -6.327  -4.286          0.023
+ATOM     24  CA  ALA    13      -4.609  -3.581  -4.528          0.024
+ATOM     25  CB  ALA    13      -4.984  -3.487  -5.229          0.022
+ATOM     26  CA  CYS    14      -6.336  -1.384  -1.931          0.023
+ATOM     27  CB  CYS    14      -7.543  -1.533  -1.720          0.024
+ATOM     28  CA  ALA    15      -3.767  -2.283   0.681          0.001
+ATOM     29  CB  ALA    15      -3.904  -2.652   1.324          0.013
+ATOM     30  CA  ALA    16      -0.931  -1.505  -1.753          0.001
+ATOM     31  CB  ALA    16      -0.517  -1.595  -2.293          0.152
+ATOM     32  CA  ALA    17      -1.221   2.255  -1.250          0.090
+ATOM     33  CB  ALA    17      -1.711   2.564  -0.921          0.102
+ATOM     34  CA  GLY    18       2.306   3.628  -1.076          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1103.04                                       ENERGY    -1.73375E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -12.440   7.157   2.796          0.018
+ATOM      2  CA  ALA     2     -13.931   5.318  -0.081          0.005
+ATOM      3  CB  ALA     2     -13.255   5.409  -0.363          0.122
+ATOM      4  CA  ALA     3     -15.381   2.134   1.554          0.002
+ATOM      5  CB  ALA     3     -15.860   2.451   2.038          0.117
+ATOM      6  CA  ALA     4     -14.812  -0.067  -1.517          0.031
+ATOM      7  CB  ALA     4     -15.293  -0.334  -2.022          0.008
+ATOM      8  CA  CYS     5     -11.063   0.147  -0.817          0.049
+ATOM      9  CB  CYS     5     -10.681   1.282  -0.695          0.021
+ATOM     10  CA  ALA     6     -11.634  -1.935   2.306          0.029
+ATOM     11  CB  ALA     6     -11.782  -1.295   2.730          0.144
+ATOM     12  CA  ALA     7     -14.392  -3.855   0.539          0.020
+ATOM     13  CB  ALA     7     -14.758  -3.339   0.970          0.020
+ATOM     14  CA  ALA     8     -12.191  -4.575  -2.570          0.004
+ATOM     15  CB  ALA     8     -12.303  -4.401  -3.358          0.038
+ATOM     16  CA  ALA     9      -9.334  -5.180  -0.102          0.009
+ATOM     17  CB  ALA     9      -9.120  -4.954   0.560          0.011
+ATOM     18  CA  ALA    10      -9.915  -8.921  -0.313          0.070
+ATOM     19  CB  ALA    10     -10.564  -9.336  -0.330          0.087
+ATOM     20  CA  ALA    11      -6.520  -9.077  -2.024          0.023
+ATOM     21  CB  ALA    11      -5.953  -9.560  -2.025          0.094
+ATOM     22  CA  ALA    12      -7.448  -6.428  -4.631          0.094
+ATOM     23  CB  ALA    12      -8.110  -6.192  -4.337          0.183
+ATOM     24  CA  ALA    13      -4.770  -3.660  -4.508          0.058
+ATOM     25  CB  ALA    13      -4.315  -3.462  -5.072          0.045
+ATOM     26  CA  CYS    14      -6.617  -0.951  -2.492          0.046
+ATOM     27  CB  CYS    14      -7.754  -1.286  -2.104          0.006
+ATOM     28  CA  ALA    15      -4.083  -1.856   0.164          0.029
+ATOM     29  CB  ALA    15      -3.816  -2.480   0.505          0.010
+ATOM     30  CA  ALA    16      -1.271  -1.257  -2.321          0.025
+ATOM     31  CB  ALA    16      -0.938  -1.614  -2.932          0.111
+ATOM     32  CA  ALA    17      -1.091   2.411  -1.450          0.047
+ATOM     33  CB  ALA    17      -1.396   2.482  -0.644          0.007
+ATOM     34  CA  GLY    18       2.600   2.077  -0.706          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time 1108.04                                       ENERGY    -1.20015E+01
+ATOM      1  CA  GLY     1     -12.634   7.106   2.730          0.014
+ATOM      2  CA  ALA     2     -14.092   5.058  -0.046          0.007
+ATOM      3  CB  ALA     2     -13.823   4.439  -0.256          0.086
+ATOM      4  CA  ALA     3     -15.191   2.120   1.997          0.022
+ATOM      5  CB  ALA     3     -15.681   1.553   2.306          0.036
+ATOM      6  CA  ALA     4     -15.054   0.015  -1.102          0.010
+ATOM      7  CB  ALA     4     -15.195   0.637  -1.599          0.120
+ATOM      8  CA  CYS     5     -11.248   0.091  -0.898          0.057
+ATOM      9  CB  CYS     5     -10.734   1.135  -1.271          0.053
+ATOM     10  CA  ALA     6     -11.668  -1.460   2.584          0.047
+ATOM     11  CB  ALA     6     -12.059  -1.694   3.155          0.049
+ATOM     12  CA  ALA     7     -14.206  -3.960   1.196          0.032
+ATOM     13  CB  ALA     7     -14.866  -3.737   0.888          0.005
+ATOM     14  CA  ALA     8     -11.970  -4.520  -1.915          0.031
+ATOM     15  CB  ALA     8     -11.814  -4.071  -2.523          0.019
+ATOM     16  CA  ALA     9      -9.262  -5.226   0.734          0.102
+ATOM     17  CB  ALA     9      -9.293  -4.822   1.381          0.073
+ATOM     18  CA  ALA    10     -10.170  -8.891   0.329          0.008
+ATOM     19  CB  ALA    10     -10.701  -8.568  -0.189          0.009
+ATOM     20  CA  ALA    11      -7.010  -8.793  -1.852          0.010
+ATOM     21  CB  ALA    11      -6.400  -9.256  -2.021          0.013
+ATOM     22  CA  ALA    12      -6.950  -6.484  -4.893          0.011
+ATOM     23  CB  ALA    12      -7.431  -6.393  -5.531          0.005
+ATOM     24  CA  ALA    13      -4.798  -3.481  -5.618          0.041
+ATOM     25  CB  ALA    13      -4.492  -3.252  -6.281          0.050
+ATOM     26  CA  CYS    14      -6.550  -0.926  -3.368          0.145
+ATOM     27  CB  CYS    14      -7.404  -1.337  -2.560          0.007
+ATOM     28  CA  ALA    15      -4.317  -1.656  -0.279          0.095
+ATOM     29  CB  ALA    15      -4.400  -2.115   0.297          0.034
+ATOM     30  CA  ALA    16      -1.098  -1.398  -2.422          0.012
+ATOM     31  CB  ALA    16      -1.136  -1.156  -3.123          0.107
+ATOM     32  CA  ALA    17      -0.630   2.277  -1.636          0.015
+ATOM     33  CB  ALA    17      -1.038   2.363  -1.111          0.004
+ATOM     34  CA  GLY    18       2.692   1.392   0.034          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1113.04                                       ENERGY    -2.46732E+01
+ATOM      1  CA  GLY     1     -12.991   8.217   2.714          0.018
+ATOM      2  CA  ALA     2     -14.117   4.931   1.038          0.051
+ATOM      3  CB  ALA     2     -13.439   4.868   0.636          0.163
+ATOM      4  CA  ALA     3     -15.300   1.557   2.257          0.019
+ATOM      5  CB  ALA     3     -15.831   1.527   2.839          0.057
+ATOM      6  CA  ALA     4     -15.552   0.202  -1.280          0.072
+ATOM      7  CB  ALA     4     -16.084   0.247  -1.778          0.119
+ATOM      8  CA  CYS     5     -11.751  -0.054  -1.300          0.015
+ATOM      9  CB  CYS     5     -11.073   0.950  -0.977          0.095
+ATOM     10  CA  ALA     6     -11.852  -1.030   2.342          0.034
+ATOM     11  CB  ALA     6     -12.003  -0.379   2.665          0.091
+ATOM     12  CA  ALA     7     -14.125  -3.928   1.371          0.038
+ATOM     13  CB  ALA     7     -14.670  -3.866   0.954          0.033
+ATOM     14  CA  ALA     8     -11.712  -4.984  -1.392          0.003
+ATOM     15  CB  ALA     8     -11.416  -4.889  -2.170          0.011
+ATOM     16  CA  ALA     9      -8.832  -4.947   1.083          0.026
+ATOM     17  CB  ALA     9      -9.185  -4.735   1.696          0.105
+ATOM     18  CA  ALA    10      -9.620  -8.614   0.655          0.049
+ATOM     19  CB  ALA    10     -10.220  -9.075   0.507          0.044
+ATOM     20  CA  ALA    11      -6.952  -8.800  -2.061          0.033
+ATOM     21  CB  ALA    11      -7.117  -9.426  -2.456          0.042
+ATOM     22  CA  ALA    12      -7.075  -6.080  -4.758          0.032
+ATOM     23  CB  ALA    12      -7.609  -5.702  -4.441          0.085
+ATOM     24  CA  ALA    13      -4.810  -3.531  -6.264          0.051
+ATOM     25  CB  ALA    13      -4.519  -3.718  -6.880          0.015
+ATOM     26  CA  CYS    14      -6.389  -0.931  -3.990          0.010
+ATOM     27  CB  CYS    14      -7.187  -1.286  -3.240          0.070
+ATOM     28  CA  ALA    15      -4.271  -1.766  -0.934          0.023
+ATOM     29  CB  ALA    15      -4.270  -2.397  -0.561          0.200
+ATOM     30  CA  ALA    16      -0.905  -1.459  -2.791          0.021
+ATOM     31  CB  ALA    16      -0.975  -1.604  -3.511          0.131
+ATOM     32  CA  ALA    17      -0.436   2.150  -1.530          0.011
+ATOM     33  CB  ALA    17      -0.821   2.705  -1.349          0.043
+ATOM     34  CA  GLY    18       2.496   0.858   0.539          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1118.04                                       ENERGY    -1.99838E+01
+ATOM      1  CA  GLY     1     -14.220   8.497   3.009          0.027
+ATOM      2  CA  ALA     2     -13.856   4.988   1.435          0.015
+ATOM      3  CB  ALA     2     -13.262   4.596   1.270          0.128
+ATOM      4  CA  ALA     3     -15.491   1.779   2.526          0.044
+ATOM      5  CB  ALA     3     -16.181   1.739   2.717          0.106
+ATOM      6  CA  ALA     4     -15.848   0.648  -1.075          0.108
+ATOM      7  CB  ALA     4     -16.227   1.058  -1.634          0.209
+ATOM      8  CA  CYS     5     -12.028   0.043  -1.279          0.059
+ATOM      9  CB  CYS     5     -11.576   1.219  -1.497          0.024
+ATOM     10  CA  ALA     6     -11.878  -1.060   2.371          0.035
+ATOM     11  CB  ALA     6     -11.891  -0.788   2.993          0.121
+ATOM     12  CA  ALA     7     -13.940  -4.168   1.650          0.047
+ATOM     13  CB  ALA     7     -14.685  -4.169   1.754          0.004
+ATOM     14  CA  ALA     8     -11.845  -5.126  -1.367          0.046
+ATOM     15  CB  ALA     8     -11.875  -5.004  -2.052          0.015
+ATOM     16  CA  ALA     9      -8.552  -4.827   0.438          0.059
+ATOM     17  CB  ALA     9      -8.477  -4.495   1.072          0.008
+ATOM     18  CA  ALA    10      -8.650  -8.615   1.141          0.031
+ATOM     19  CB  ALA    10      -9.274  -8.899   1.497          0.106
+ATOM     20  CA  ALA    11      -6.962  -9.152  -2.283          0.014
+ATOM     21  CB  ALA    11      -7.041  -9.540  -2.910          0.033
+ATOM     22  CA  ALA    12      -7.510  -5.775  -4.002          0.027
+ATOM     23  CB  ALA    12      -8.001  -5.450  -3.594          0.051
+ATOM     24  CA  ALA    13      -5.097  -3.829  -6.176          0.008
+ATOM     25  CB  ALA    13      -4.622  -3.804  -6.763          0.079
+ATOM     26  CA  CYS    14      -5.878  -0.702  -4.219          0.044
+ATOM     27  CB  CYS    14      -6.927  -0.863  -3.773          0.040
+ATOM     28  CA  ALA    15      -3.792  -2.049  -1.315          0.013
+ATOM     29  CB  ALA    15      -4.086  -2.709  -1.220          0.051
+ATOM     30  CA  ALA    16      -0.701  -1.607  -3.535          0.038
+ATOM     31  CB  ALA    16      -0.564  -1.834  -4.191          0.223
+ATOM     32  CA  ALA    17      -0.335   1.753  -1.905          0.008
+ATOM     33  CB  ALA    17      -1.005   2.132  -1.466          0.008
+ATOM     34  CA  GLY    18       1.743   0.498   0.996          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1123.04                                       ENERGY    -1.23770E+01
+ATOM      1  CA  GLY     1     -15.333   7.311   3.664          0.024
+ATOM      2  CA  ALA     2     -13.736   5.080   1.114          0.090
+ATOM      3  CB  ALA     2     -12.958   5.159   1.324          0.025
+ATOM      4  CA  ALA     3     -15.326   2.144   2.886          0.027
+ATOM      5  CB  ALA     3     -15.895   2.034   3.358          0.156
+ATOM      6  CA  ALA     4     -16.210   0.352  -0.332          0.016
+ATOM      7  CB  ALA     4     -16.429   0.927  -0.691          0.024
+ATOM      8  CA  CYS     5     -12.606   0.044  -1.420          0.006
+ATOM      9  CB  CYS     5     -11.811   0.906  -1.676          0.008
+ATOM     10  CA  ALA     6     -11.882  -0.894   2.259          0.018
+ATOM     11  CB  ALA     6     -11.920  -0.444   2.899          0.039
+ATOM     12  CA  ALA     7     -13.863  -4.148   1.710          0.003
+ATOM     13  CB  ALA     7     -14.525  -4.284   1.461          0.046
+ATOM     14  CA  ALA     8     -11.744  -4.787  -1.488          0.024
+ATOM     15  CB  ALA     8     -11.878  -4.104  -1.725          0.073
+ATOM     16  CA  ALA     9      -8.513  -4.206   0.408          0.009
+ATOM     17  CB  ALA     9      -8.321  -3.578   0.756          0.085
+ATOM     18  CA  ALA    10      -8.386  -7.916   1.247          0.023
+ATOM     19  CB  ALA    10      -8.325  -8.638   1.063          0.017
+ATOM     20  CA  ALA    11      -6.945  -9.096  -2.041          0.007
+ATOM     21  CB  ALA    11      -6.903  -9.738  -2.333          0.072
+ATOM     22  CA  ALA    12      -7.518  -6.063  -4.300          0.010
+ATOM     23  CB  ALA    12      -7.395  -5.613  -3.736          0.026
+ATOM     24  CA  ALA    13      -5.508  -3.712  -6.653          0.057
+ATOM     25  CB  ALA    13      -6.099  -3.900  -7.121          0.071
+ATOM     26  CA  CYS    14      -5.647  -0.872  -4.148          0.037
+ATOM     27  CB  CYS    14      -6.849  -1.088  -3.908          0.018
+ATOM     28  CA  ALA    15      -3.647  -2.635  -1.542          0.036
+ATOM     29  CB  ALA    15      -3.659  -3.227  -1.063          0.136
+ATOM     30  CA  ALA    16      -0.448  -2.087  -3.412          0.011
+ATOM     31  CB  ALA    16      -0.106  -1.838  -4.018          0.103
+ATOM     32  CA  ALA    17      -0.084   1.537  -2.327          0.027
+ATOM     33  CB  ALA    17      -0.340   2.141  -2.477          0.090
+ATOM     34  CA  GLY    18       0.833   0.421   1.227          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1128.04                                       ENERGY    -2.53578E+01
+ATOM      1  CA  GLY     1     -15.999   6.966   3.883          0.019
+ATOM      2  CA  ALA     2     -14.151   4.946   1.208          0.015
+ATOM      3  CB  ALA     2     -13.495   4.905   0.911          0.170
+ATOM      4  CA  ALA     3     -14.665   1.910   3.320          0.142
+ATOM      5  CB  ALA     3     -15.012   1.830   4.001          0.184
+ATOM      6  CA  ALA     4     -16.292   0.255   0.359          0.019
+ATOM      7  CB  ALA     4     -16.883   0.585  -0.078          0.066
+ATOM      8  CA  CYS     5     -12.839   0.428  -1.184          0.056
+ATOM      9  CB  CYS     5     -12.414   1.446  -1.784          0.053
+ATOM     10  CA  ALA     6     -11.382  -1.100   2.020          0.029
+ATOM     11  CB  ALA     6     -11.561  -0.590   2.607          0.043
+ATOM     12  CA  ALA     7     -13.480  -4.267   1.726          0.015
+ATOM     13  CB  ALA     7     -14.118  -4.676   1.769          0.009
+ATOM     14  CA  ALA     8     -11.797  -4.645  -1.578          0.014
+ATOM     15  CB  ALA     8     -11.892  -4.172  -2.217          0.054
+ATOM     16  CA  ALA     9      -8.401  -3.964  -0.058          0.035
+ATOM     17  CB  ALA     9      -8.186  -3.558   0.517          0.019
+ATOM     18  CA  ALA    10      -8.490  -7.396   1.620          0.057
+ATOM     19  CB  ALA    10      -9.157  -7.194   1.943          0.228
+ATOM     20  CA  ALA    11      -6.613  -8.306  -1.557          0.007
+ATOM     21  CB  ALA    11      -6.477  -8.913  -1.893          0.032
+ATOM     22  CA  ALA    12      -7.643  -6.036  -4.438          0.037
+ATOM     23  CB  ALA    12      -8.030  -5.405  -4.285          0.053
+ATOM     24  CA  ALA    13      -5.301  -3.917  -6.612          0.012
+ATOM     25  CB  ALA    13      -5.190  -3.483  -7.226          0.031
+ATOM     26  CA  CYS    14      -5.374  -0.922  -4.293          0.041
+ATOM     27  CB  CYS    14      -6.508  -0.875  -3.621          0.018
+ATOM     28  CA  ALA    15      -3.374  -3.098  -1.848          0.021
+ATOM     29  CB  ALA    15      -3.453  -3.932  -1.745          0.086
+ATOM     30  CA  ALA    16      -0.204  -2.413  -3.845          0.113
+ATOM     31  CB  ALA    16      -0.386  -2.925  -4.353          0.086
+ATOM     32  CA  ALA    17      -0.370   1.164  -2.774          0.071
+ATOM     33  CB  ALA    17      -0.834   1.716  -2.587          0.049
+ATOM     34  CA  GLY    18      -0.169   0.195   0.847          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1133.04                                       ENERGY    -1.18407E+01
+ATOM      1  CA  GLY     1     -16.570   6.867   3.881          0.056
+ATOM      2  CA  ALA     2     -14.360   4.696   1.608          0.087
+ATOM      3  CB  ALA     2     -13.694   5.056   1.626          0.054
+ATOM      4  CA  ALA     3     -14.956   1.658   3.751          0.042
+ATOM      5  CB  ALA     3     -14.767   2.002   4.417          0.050
+ATOM      6  CA  ALA     4     -16.250  -0.252   0.730          0.007
+ATOM      7  CB  ALA     4     -16.927  -0.151   0.357          0.029
+ATOM      8  CA  CYS     5     -12.964   0.258  -1.011          0.025
+ATOM      9  CB  CYS     5     -12.828   1.328  -1.715          0.049
+ATOM     10  CA  ALA     6     -11.089  -0.678   2.046          0.042
+ATOM     11  CB  ALA     6     -11.093  -0.726   2.779          0.029
+ATOM     12  CA  ALA     7     -12.934  -3.996   1.890          0.017
+ATOM     13  CB  ALA     7     -13.668  -4.075   2.138          0.054
+ATOM     14  CA  ALA     8     -11.941  -4.215  -1.848          0.015
+ATOM     15  CB  ALA     8     -11.701  -3.925  -2.418          0.028
+ATOM     16  CA  ALA     9      -8.527  -3.071  -0.588          0.083
+ATOM     17  CB  ALA     9      -7.892  -2.651  -0.298          0.087
+ATOM     18  CA  ALA    10      -8.499  -6.382   1.311          0.049
+ATOM     19  CB  ALA    10      -9.143  -6.526   1.445          0.054
+ATOM     20  CA  ALA    11      -6.413  -7.659  -1.508          0.005
+ATOM     21  CB  ALA    11      -6.611  -8.394  -1.425          0.014
+ATOM     22  CA  ALA    12      -7.325  -6.005  -4.801          0.014
+ATOM     23  CB  ALA    12      -7.766  -5.662  -4.325          0.010
+ATOM     24  CA  ALA    13      -4.822  -3.702  -6.435          0.014
+ATOM     25  CB  ALA    13      -4.902  -3.961  -7.105          0.015
+ATOM     26  CA  CYS    14      -5.283  -1.312  -3.486          0.024
+ATOM     27  CB  CYS    14      -6.593  -1.077  -3.563          0.003
+ATOM     28  CA  ALA    15      -3.153  -3.823  -1.709          0.070
+ATOM     29  CB  ALA    15      -3.552  -4.439  -1.435          0.138
+ATOM     30  CA  ALA    16      -0.263  -3.098  -4.075          0.007
+ATOM     31  CB  ALA    16      -0.188  -2.595  -4.776          0.008
+ATOM     32  CA  ALA    17      -0.893   0.562  -3.455          0.045
+ATOM     33  CB  ALA    17      -1.514   0.899  -3.705          0.146
+ATOM     34  CA  GLY    18      -0.614  -0.112   0.278          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1138.04                                       ENERGY    -2.28139E+01
+ATOM      1  CA  GLY     1     -17.595   6.124   3.573          0.042
+ATOM      2  CA  ALA     2     -14.330   4.665   2.218          0.092
+ATOM      3  CB  ALA     2     -13.735   5.128   2.188          0.279
+ATOM      4  CA  ALA     3     -15.230   1.486   4.040          0.011
+ATOM      5  CB  ALA     3     -15.517   1.202   4.693          0.124
+ATOM      6  CA  ALA     4     -16.094  -0.345   0.927          0.006
+ATOM      7  CB  ALA     4     -16.855  -0.335   0.698          0.039
+ATOM      8  CA  CYS     5     -12.956   0.716  -0.808          0.029
+ATOM      9  CB  CYS     5     -12.864   1.772  -1.443          0.015
+ATOM     10  CA  ALA     6     -11.120  -0.411   2.287          0.011
+ATOM     11  CB  ALA     6     -11.371   0.093   2.832          0.073
+ATOM     12  CA  ALA     7     -12.814  -3.812   2.021          0.023
+ATOM     13  CB  ALA     7     -13.368  -4.156   1.924          0.028
+ATOM     14  CA  ALA     8     -11.813  -3.855  -1.635          0.034
+ATOM     15  CB  ALA     8     -12.326  -3.311  -2.027          0.131
+ATOM     16  CA  ALA     9      -8.230  -2.909  -0.866          0.012
+ATOM     17  CB  ALA     9      -8.141  -2.279  -0.446          0.026
+ATOM     18  CA  ALA    10      -7.950  -6.075   1.242          0.027
+ATOM     19  CB  ALA    10      -8.364  -6.327   1.871          0.059
+ATOM     20  CA  ALA    11      -6.260  -7.886  -1.582          0.017
+ATOM     21  CB  ALA    11      -5.992  -8.517  -1.626          0.063
+ATOM     22  CA  ALA    12      -7.683  -6.221  -4.707          0.028
+ATOM     23  CB  ALA    12      -8.263  -5.818  -4.793          0.015
+ATOM     24  CA  ALA    13      -5.249  -4.179  -6.753          0.032
+ATOM     25  CB  ALA    13      -5.171  -3.587  -7.165          0.072
+ATOM     26  CA  CYS    14      -5.175  -1.476  -4.105          0.008
+ATOM     27  CB  CYS    14      -6.277  -0.939  -3.889          0.011
+ATOM     28  CA  ALA    15      -3.322  -3.619  -1.596          0.020
+ATOM     29  CB  ALA    15      -3.232  -4.302  -1.337          0.151
+ATOM     30  CA  ALA    16      -0.278  -3.534  -3.798          0.152
+ATOM     31  CB  ALA    16      -0.231  -4.308  -3.726          0.087
+ATOM     32  CA  ALA    17      -0.466   0.173  -4.310          0.015
+ATOM     33  CB  ALA    17      -1.219   0.473  -4.517          0.083
+ATOM     34  CA  GLY    18      -0.614   0.686  -0.535          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1143.02                                       ENERGY    -1.95873E+01
+ATOM      1  CA  GLY     1     -18.328   6.328   2.354          0.046
+ATOM      2  CA  ALA     2     -15.188   4.511   3.368          0.059
+ATOM      3  CB  ALA     2     -14.799   4.720   3.920          0.150
+ATOM      4  CA  ALA     3     -15.032   0.804   4.248          0.029
+ATOM      5  CB  ALA     3     -15.484   0.408   4.679          0.037
+ATOM      6  CA  ALA     4     -16.334  -0.033   0.791          0.029
+ATOM      7  CB  ALA     4     -16.798   0.422   0.535          0.074
+ATOM      8  CA  CYS     5     -12.917   0.719  -0.717          0.015
+ATOM      9  CB  CYS     5     -12.731   1.913  -1.164          0.025
+ATOM     10  CA  ALA     6     -11.061  -0.364   2.393          0.021
+ATOM     11  CB  ALA     6     -10.744   0.085   2.948          0.077
+ATOM     12  CA  ALA     7     -12.776  -3.673   2.202          0.039
+ATOM     13  CB  ALA     7     -13.475  -3.628   2.639          0.035
+ATOM     14  CA  ALA     8     -11.592  -3.912  -1.412          0.118
+ATOM     15  CB  ALA     8     -12.016  -3.703  -1.903          0.028
+ATOM     16  CA  ALA     9      -8.237  -2.675  -0.275          0.019
+ATOM     17  CB  ALA     9      -8.513  -1.928  -0.056          0.032
+ATOM     18  CA  ALA    10      -7.571  -5.958   1.381          0.003
+ATOM     19  CB  ALA    10      -8.210  -6.291   1.455          0.132
+ATOM     20  CA  ALA    11      -6.291  -7.383  -1.907          0.024
+ATOM     21  CB  ALA    11      -6.166  -8.155  -1.894          0.002
+ATOM     22  CA  ALA    12      -8.116  -5.716  -4.764          0.024
+ATOM     23  CB  ALA    12      -8.557  -5.384  -4.385          0.062
+ATOM     24  CA  ALA    13      -4.996  -4.652  -6.626          0.030
+ATOM     25  CB  ALA    13      -5.235  -4.941  -7.274          0.074
+ATOM     26  CA  CYS    14      -4.946  -1.412  -4.697          0.014
+ATOM     27  CB  CYS    14      -5.973  -0.967  -4.074          0.010
+ATOM     28  CA  ALA    15      -3.589  -3.248  -1.592          0.064
+ATOM     29  CB  ALA    15      -4.097  -3.822  -1.539          0.008
+ATOM     30  CA  ALA    16      -0.310  -4.124  -3.527          0.086
+ATOM     31  CB  ALA    16       0.091  -4.362  -4.046          0.095
+ATOM     32  CA  ALA    17      -0.260  -0.573  -4.946          0.093
+ATOM     33  CB  ALA    17      -0.680  -0.428  -5.615          0.214
+ATOM     34  CA  GLY    18       0.397   1.549  -1.805          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1148.02                                       ENERGY    -1.98678E+01
+ATOM      1  CA  GLY     1     -18.723   5.245   1.955          0.056
+ATOM      2  CA  ALA     2     -15.578   4.387   3.842          0.028
+ATOM      3  CB  ALA     2     -15.643   4.571   4.543          0.033
+ATOM      4  CA  ALA     3     -15.523   0.614   4.363          0.007
+ATOM      5  CB  ALA     3     -15.883   0.131   4.654          0.123
+ATOM      6  CA  ALA     4     -15.956   0.120   0.604          0.022
+ATOM      7  CB  ALA     4     -16.490   0.494   0.179          0.004
+ATOM      8  CA  CYS     5     -12.392   1.063  -0.265          0.056
+ATOM      9  CB  CYS     5     -12.677   2.271  -0.404          0.042
+ATOM     10  CA  ALA     6     -11.233  -0.285   3.105          0.040
+ATOM     11  CB  ALA     6     -11.463  -0.020   3.780          0.154
+ATOM     12  CA  ALA     7     -12.723  -3.694   2.507          0.008
+ATOM     13  CB  ALA     7     -13.431  -3.570   2.674          0.042
+ATOM     14  CA  ALA     8     -11.899  -3.599  -1.286          0.055
+ATOM     15  CB  ALA     8     -11.887  -3.458  -2.055          0.180
+ATOM     16  CA  ALA     9      -8.414  -2.448  -0.415          0.010
+ATOM     17  CB  ALA     9      -7.886  -2.215  -0.042          0.042
+ATOM     18  CA  ALA    10      -7.610  -5.724   1.373          0.017
+ATOM     19  CB  ALA    10      -7.970  -5.874   2.049          0.055
+ATOM     20  CA  ALA    11      -6.649  -7.441  -1.792          0.005
+ATOM     21  CB  ALA    11      -6.669  -8.138  -2.001          0.054
+ATOM     22  CA  ALA    12      -8.343  -5.632  -4.647          0.054
+ATOM     23  CB  ALA    12      -8.569  -5.021  -4.198          0.097
+ATOM     24  CA  ALA    13      -5.012  -5.053  -6.438          0.012
+ATOM     25  CB  ALA    13      -4.783  -5.138  -7.074          0.006
+ATOM     26  CA  CYS    14      -4.885  -1.534  -5.085          0.004
+ATOM     27  CB  CYS    14      -6.103  -1.299  -4.697          0.010
+ATOM     28  CA  ALA    15      -3.233  -2.697  -1.969          0.005
+ATOM     29  CB  ALA    15      -3.477  -2.690  -1.232          0.033
+ATOM     30  CA  ALA    16      -0.473  -4.362  -3.984          0.108
+ATOM     31  CB  ALA    16      -0.816  -5.014  -4.191          0.117
+ATOM     32  CA  ALA    17       0.418  -0.911  -5.607          0.122
+ATOM     33  CB  ALA    17       0.125  -0.753  -6.215          0.089
+ATOM     34  CA  GLY    18       1.394   1.746  -3.211          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1153.02                                       ENERGY    -1.58705E+01
+ATOM      1  CA  GLY     1     -19.053   3.237   2.033          0.082
+ATOM      2  CA  ALA     2     -15.737   4.223   3.628          0.002
+ATOM      3  CB  ALA     2     -15.400   4.763   3.858          0.114
+ATOM      4  CA  ALA     3     -16.336   0.580   4.524          0.006
+ATOM      5  CB  ALA     3     -16.783   0.035   4.725          0.105
+ATOM      6  CA  ALA     4     -15.773  -0.466   0.929          0.016
+ATOM      7  CB  ALA     4     -16.238  -0.413   0.399          0.010
+ATOM      8  CA  CYS     5     -12.627   1.705   0.777          0.007
+ATOM      9  CB  CYS     5     -12.317   2.901   0.665          0.113
+ATOM     10  CA  ALA     6     -11.005  -0.461   3.364          0.003
+ATOM     11  CB  ALA     6     -10.993  -0.067   4.086          0.042
+ATOM     12  CA  ALA     7     -12.755  -3.585   2.062          0.033
+ATOM     13  CB  ALA     7     -13.323  -3.842   2.115          0.018
+ATOM     14  CA  ALA     8     -11.443  -2.870  -1.438          0.060
+ATOM     15  CB  ALA     8     -12.046  -2.525  -1.578          0.180
+ATOM     16  CA  ALA     9      -7.968  -2.085  -0.234          0.006
+ATOM     17  CB  ALA     9      -7.648  -1.512   0.131          0.034
+ATOM     18  CA  ALA    10      -8.358  -5.344   1.753          0.075
+ATOM     19  CB  ALA    10      -8.974  -5.508   1.998          0.066
+ATOM     20  CA  ALA    11      -7.272  -7.358  -1.151          0.033
+ATOM     21  CB  ALA    11      -7.259  -8.143  -1.357          0.083
+ATOM     22  CA  ALA    12      -7.973  -5.994  -4.618          0.007
+ATOM     23  CB  ALA    12      -8.632  -5.855  -4.764          0.033
+ATOM     24  CA  ALA    13      -4.902  -4.928  -6.576          0.011
+ATOM     25  CB  ALA    13      -4.500  -5.105  -7.210          0.027
+ATOM     26  CA  CYS    14      -5.041  -1.335  -5.272          0.035
+ATOM     27  CB  CYS    14      -6.175  -1.661  -4.741          0.006
+ATOM     28  CA  ALA    15      -2.915  -1.763  -2.253          0.016
+ATOM     29  CB  ALA    15      -3.069  -2.111  -1.517          0.115
+ATOM     30  CA  ALA    16      -0.651  -4.252  -4.083          0.009
+ATOM     31  CB  ALA    16      -0.986  -4.626  -4.551          0.101
+ATOM     32  CA  ALA    17       0.559  -1.572  -6.553          0.048
+ATOM     33  CB  ALA    17       0.328  -1.064  -7.164          0.048
+ATOM     34  CA  GLY    18       2.619   0.694  -4.320          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1158.02                                       ENERGY    -1.68282E+01
+ATOM      1  CA  GLY     1     -19.637   3.249   1.733          0.024
+ATOM      2  CA  ALA     2     -16.468   3.910   3.766          0.023
+ATOM      3  CB  ALA     2     -16.637   4.418   4.331          0.362
+ATOM      4  CA  ALA     3     -16.044   0.241   4.711          0.020
+ATOM      5  CB  ALA     3     -16.309   0.540   5.308          0.027
+ATOM      6  CA  ALA     4     -15.620  -0.676   1.138          0.048
+ATOM      7  CB  ALA     4     -16.143  -0.708   0.669          0.052
+ATOM      8  CA  CYS     5     -12.598   1.712   1.205          0.014
+ATOM      9  CB  CYS     5     -12.764   2.995   1.133          0.007
+ATOM     10  CA  ALA     6     -11.279  -0.783   3.770          0.027
+ATOM     11  CB  ALA     6     -11.043  -0.753   4.463          0.063
+ATOM     12  CA  ALA     7     -12.676  -3.603   1.645          0.007
+ATOM     13  CB  ALA     7     -13.431  -3.684   1.430          0.016
+ATOM     14  CA  ALA     8     -11.117  -2.018  -1.497          0.036
+ATOM     15  CB  ALA     8     -11.189  -1.395  -1.736          0.074
+ATOM     16  CA  ALA     9      -7.835  -1.865   0.182          0.076
+ATOM     17  CB  ALA     9      -7.735  -1.278   0.578          0.030
+ATOM     18  CA  ALA    10      -8.405  -5.119   2.161          0.107
+ATOM     19  CB  ALA    10      -9.079  -5.195   2.529          0.062
+ATOM     20  CA  ALA    11      -7.397  -7.166  -0.823          0.010
+ATOM     21  CB  ALA    11      -7.767  -7.803  -0.563          0.041
+ATOM     22  CA  ALA    12      -7.625  -6.230  -4.546          0.045
+ATOM     23  CB  ALA    12      -8.076  -5.958  -5.062          0.012
+ATOM     24  CA  ALA    13      -4.535  -5.017  -6.415          0.012
+ATOM     25  CB  ALA    13      -4.344  -5.028  -7.049          0.019
+ATOM     26  CA  CYS    14      -5.148  -1.288  -5.543          0.025
+ATOM     27  CB  CYS    14      -6.278  -1.599  -5.079          0.001
+ATOM     28  CA  ALA    15      -2.527  -1.371  -2.803          0.115
+ATOM     29  CB  ALA    15      -3.065  -1.654  -2.382          0.042
+ATOM     30  CA  ALA    16      -0.770  -4.216  -4.553          0.004
+ATOM     31  CB  ALA    16      -0.707  -4.913  -4.739          0.019
+ATOM     32  CA  ALA    17       0.363  -1.738  -7.305          0.064
+ATOM     33  CB  ALA    17       0.162  -1.227  -7.742          0.088
+ATOM     34  CA  GLY    18       3.365  -0.971  -5.200          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1163.02                                       ENERGY    -1.09629E+01
+ATOM      1  CA  GLY     1     -19.740   3.237   1.837          0.111
+ATOM      2  CA  ALA     2     -17.526   4.145   4.765          0.028
+ATOM      3  CB  ALA     2     -17.645   4.650   5.276          0.016
+ATOM      4  CA  ALA     3     -16.369   0.528   5.226          0.005
+ATOM      5  CB  ALA     3     -16.886  -0.084   5.169          0.009
+ATOM      6  CA  ALA     4     -16.641  -0.024   1.469          0.001
+ATOM      7  CB  ALA     4     -16.936   0.564   1.259          0.019
+ATOM      8  CA  CYS     5     -13.138   1.537   0.834          0.021
+ATOM      9  CB  CYS     5     -12.945   2.509   1.674          0.048
+ATOM     10  CA  ALA     6     -11.646  -0.563   3.555          0.003
+ATOM     11  CB  ALA     6     -12.138  -0.767   4.084          0.055
+ATOM     12  CA  ALA     7     -12.204  -3.721   1.555          0.017
+ATOM     13  CB  ALA     7     -12.859  -3.997   1.346          0.069
+ATOM     14  CA  ALA     8     -10.511  -2.043  -1.400          0.032
+ATOM     15  CB  ALA     8     -10.681  -1.540  -1.841          0.034
+ATOM     16  CA  ALA     9      -7.300  -1.602   0.619          0.043
+ATOM     17  CB  ALA     9      -6.997  -1.339   1.301          0.034
+ATOM     18  CA  ALA    10      -7.798  -4.864   2.510          0.012
+ATOM     19  CB  ALA    10      -8.371  -4.458   3.007          0.017
+ATOM     20  CA  ALA    11      -7.449  -6.844  -0.758          0.019
+ATOM     21  CB  ALA    11      -7.514  -7.586  -0.839          0.152
+ATOM     22  CA  ALA    12      -7.341  -6.228  -4.458          0.010
+ATOM     23  CB  ALA    12      -7.944  -5.839  -4.221          0.050
+ATOM     24  CA  ALA    13      -4.528  -5.436  -6.952          0.032
+ATOM     25  CB  ALA    13      -4.462  -5.277  -7.665          0.124
+ATOM     26  CA  CYS    14      -4.835  -1.685  -6.169          0.021
+ATOM     27  CB  CYS    14      -5.990  -1.747  -5.855          0.048
+ATOM     28  CA  ALA    15      -2.442  -1.725  -3.134          0.014
+ATOM     29  CB  ALA    15      -2.717  -1.460  -2.474          0.034
+ATOM     30  CA  ALA    16      -0.512  -4.325  -4.927          0.029
+ATOM     31  CB  ALA    16      -1.105  -4.714  -4.640          0.226
+ATOM     32  CA  ALA    17       0.395  -1.906  -7.649          0.015
+ATOM     33  CB  ALA    17       0.209  -1.209  -7.923          0.019
+ATOM     34  CA  GLY    18       4.028  -1.723  -6.330          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1168.02                                       ENERGY    -1.56908E+01
+ATOM      1  CA  GLY     1     -21.407   3.673   4.104          0.143
+ATOM      2  CA  ALA     2     -17.711   4.235   4.751          0.020
+ATOM      3  CB  ALA     2     -17.425   4.522   5.376          0.040
+ATOM      4  CA  ALA     3     -17.058   0.500   4.832          0.025
+ATOM      5  CB  ALA     3     -17.084   0.015   5.414          0.041
+ATOM      6  CA  ALA     4     -16.863   0.302   1.011          0.003
+ATOM      7  CB  ALA     4     -17.427   0.392   0.435          0.030
+ATOM      8  CA  CYS     5     -13.287   1.733   1.194          0.012
+ATOM      9  CB  CYS     5     -13.402   2.516   2.209          0.028
+ATOM     10  CA  ALA     6     -12.123  -0.848   3.755          0.018
+ATOM     11  CB  ALA     6     -12.238  -0.860   4.548          0.041
+ATOM     12  CA  ALA     7     -12.135  -3.677   1.229          0.018
+ATOM     13  CB  ALA     7     -12.441  -4.143   0.835          0.002
+ATOM     14  CA  ALA     8      -9.973  -1.721  -1.197          0.013
+ATOM     15  CB  ALA     8     -10.006  -1.088  -1.572          0.202
+ATOM     16  CA  ALA     9      -7.092  -1.256   1.227          0.029
+ATOM     17  CB  ALA     9      -6.900  -0.546   1.330          0.099
+ATOM     18  CA  ALA    10      -7.535  -4.816   2.488          0.043
+ATOM     19  CB  ALA    10      -8.255  -5.228   2.418          0.071
+ATOM     20  CA  ALA    11      -6.374  -6.901  -0.440          0.021
+ATOM     21  CB  ALA    11      -6.261  -7.658  -0.355          0.146
+ATOM     22  CA  ALA    12      -7.546  -5.552  -3.830          0.028
+ATOM     23  CB  ALA    12      -7.650  -4.990  -4.306          0.052
+ATOM     24  CA  ALA    13      -4.861  -5.663  -6.460          0.019
+ATOM     25  CB  ALA    13      -4.719  -6.109  -7.006          0.088
+ATOM     26  CA  CYS    14      -4.989  -1.887  -6.873          0.035
+ATOM     27  CB  CYS    14      -5.840  -1.307  -6.316          0.020
+ATOM     28  CA  ALA    15      -2.800  -1.940  -3.748          0.024
+ATOM     29  CB  ALA    15      -3.079  -2.276  -3.159          0.059
+ATOM     30  CA  ALA    16      -0.750  -4.716  -5.171          0.014
+ATOM     31  CB  ALA    16      -0.293  -5.019  -5.669          0.070
+ATOM     32  CA  ALA    17       0.767  -2.288  -7.849          0.060
+ATOM     33  CB  ALA    17       0.593  -1.647  -7.960          0.017
+ATOM     34  CA  GLY    18       4.535  -1.971  -7.327          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1173.02                                       ENERGY    -1.75103E+01
+ATOM      1  CA  GLY     1     -21.297   3.584   6.565          0.015
+ATOM      2  CA  ALA     2     -18.272   3.959   4.193          0.044
+ATOM      3  CB  ALA     2     -17.737   4.427   4.407          0.111
+ATOM      4  CA  ALA     3     -17.118   0.441   4.946          0.018
+ATOM      5  CB  ALA     3     -17.710  -0.067   4.920          0.024
+ATOM      6  CA  ALA     4     -16.600  -0.206   1.219          0.011
+ATOM      7  CB  ALA     4     -17.021   0.152   0.693          0.036
+ATOM      8  CA  CYS     5     -13.439   1.741   1.438          0.007
+ATOM      9  CB  CYS     5     -13.526   2.849   1.995          0.034
+ATOM     10  CA  ALA     6     -12.119  -1.021   3.686          0.041
+ATOM     11  CB  ALA     6     -12.394  -1.358   4.203          0.020
+ATOM     12  CA  ALA     7     -11.896  -3.315   0.758          0.003
+ATOM     13  CB  ALA     7     -12.622  -3.478   0.591          0.159
+ATOM     14  CA  ALA     8      -9.618  -0.934  -1.101          0.042
+ATOM     15  CB  ALA     8      -9.688  -0.187  -1.270          0.026
+ATOM     16  CA  ALA     9      -7.311  -1.322   1.837          0.072
+ATOM     17  CB  ALA     9      -7.289  -1.141   2.560          0.005
+ATOM     18  CA  ALA    10      -8.171  -5.033   2.127          0.018
+ATOM     19  CB  ALA    10      -8.800  -5.386   2.251          0.238
+ATOM     20  CA  ALA    11      -5.268  -5.725  -0.208          0.069
+ATOM     21  CB  ALA    11      -4.856  -6.342  -0.429          0.244
+ATOM     22  CA  ALA    12      -7.322  -5.200  -3.454          0.017
+ATOM     23  CB  ALA    12      -7.466  -4.849  -2.802          0.023
+ATOM     24  CA  ALA    13      -5.881  -5.786  -6.922          0.041
+ATOM     25  CB  ALA    13      -6.084  -6.267  -7.406          0.083
+ATOM     26  CA  CYS    14      -4.695  -2.194  -7.046          0.013
+ATOM     27  CB  CYS    14      -5.681  -2.013  -6.399          0.020
+ATOM     28  CA  ALA    15      -2.608  -2.387  -4.041          0.029
+ATOM     29  CB  ALA    15      -2.734  -2.239  -3.248          0.105
+ATOM     30  CA  ALA    16      -0.295  -4.985  -5.729          0.014
+ATOM     31  CB  ALA    16      -0.968  -5.235  -5.541          0.026
+ATOM     32  CA  ALA    17       1.002  -2.316  -8.119          0.044
+ATOM     33  CB  ALA    17       0.532  -1.880  -7.832          0.038
+ATOM     34  CA  GLY    18       4.801  -2.137  -8.283          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1178.02                                       ENERGY    -1.52681E+01
+ATOM      1  CA  GLY     1     -19.578   3.806   7.948          0.016
+ATOM      2  CA  ALA     2     -19.125   3.253   4.194          0.017
+ATOM      3  CB  ALA     2     -19.210   3.724   3.585          0.150
+ATOM      4  CA  ALA     3     -17.006   0.102   4.546          0.036
+ATOM      5  CB  ALA     3     -17.447  -0.302   5.023          0.005
+ATOM      6  CA  ALA     4     -16.490   0.126   0.800          0.054
+ATOM      7  CB  ALA     4     -16.562   0.290   0.092          0.027
+ATOM      8  CA  CYS     5     -13.391   2.052   1.692          0.010
+ATOM      9  CB  CYS     5     -13.624   3.008   2.346          0.032
+ATOM     10  CA  ALA     6     -12.214  -0.956   3.669          0.005
+ATOM     11  CB  ALA     6     -12.615  -1.296   4.260          0.054
+ATOM     12  CA  ALA     7     -12.255  -3.180   0.510          0.026
+ATOM     13  CB  ALA     7     -12.834  -2.987   0.015          0.000
+ATOM     14  CA  ALA     8      -9.363  -1.168  -0.888          0.085
+ATOM     15  CB  ALA     8      -9.644  -0.490  -0.965          0.058
+ATOM     16  CA  ALA     9      -7.816  -1.127   2.631          0.034
+ATOM     17  CB  ALA     9      -8.308  -1.054   3.102          0.074
+ATOM     18  CA  ALA    10      -7.552  -4.898   2.385          0.021
+ATOM     19  CB  ALA    10      -7.841  -5.312   1.716          0.161
+ATOM     20  CA  ALA    11      -4.666  -4.705  -0.143          0.026
+ATOM     21  CB  ALA    11      -4.257  -5.345  -0.150          0.082
+ATOM     22  CA  ALA    12      -7.139  -5.224  -3.049          0.035
+ATOM     23  CB  ALA    12      -7.710  -4.814  -3.192          0.009
+ATOM     24  CA  ALA    13      -5.953  -5.843  -6.558          0.035
+ATOM     25  CB  ALA    13      -6.320  -6.199  -7.110          0.079
+ATOM     26  CA  CYS    14      -5.086  -2.173  -6.871          0.068
+ATOM     27  CB  CYS    14      -5.968  -1.546  -6.162          0.028
+ATOM     28  CA  ALA    15      -2.564  -2.604  -4.170          0.027
+ATOM     29  CB  ALA    15      -2.312  -3.113  -3.571          0.004
+ATOM     30  CA  ALA    16      -0.655  -5.306  -6.042          0.029
+ATOM     31  CB  ALA    16      -0.817  -5.884  -6.538          0.068
+ATOM     32  CA  ALA    17       0.978  -2.730  -8.289          0.052
+ATOM     33  CB  ALA    17       0.766  -2.059  -8.313          0.035
+ATOM     34  CA  GLY    18       4.770  -2.501  -9.171          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1183.02                                       ENERGY    -1.23693E+01
+ATOM      1  CA  GLY     1     -18.089   3.636   7.765          0.022
+ATOM      2  CA  ALA     2     -19.661   2.524   4.502          0.011
+ATOM      3  CB  ALA     2     -19.761   3.074   3.977          0.040
+ATOM      4  CA  ALA     3     -17.143  -0.262   3.930          0.008
+ATOM      5  CB  ALA     3     -17.318  -0.914   4.230          0.143
+ATOM      6  CA  ALA     4     -16.443   0.878   0.391          0.018
+ATOM      7  CB  ALA     4     -16.982   1.202  -0.078          0.072
+ATOM      8  CA  CYS     5     -13.064   2.269   1.634          0.012
+ATOM      9  CB  CYS     5     -13.654   2.450   2.622          0.029
+ATOM     10  CA  ALA     6     -12.442  -0.779   3.831          0.040
+ATOM     11  CB  ALA     6     -13.016  -1.082   4.228          0.022
+ATOM     12  CA  ALA     7     -12.514  -3.083   0.827          0.082
+ATOM     13  CB  ALA     7     -13.046  -2.990   0.365          0.051
+ATOM     14  CA  ALA     8      -9.533  -1.309  -0.746          0.029
+ATOM     15  CB  ALA     8      -9.497  -0.589  -0.926          0.132
+ATOM     16  CA  ALA     9      -7.699  -0.718   2.598          0.074
+ATOM     17  CB  ALA     9      -7.698  -0.618   3.259          0.113
+ATOM     18  CA  ALA    10      -7.206  -4.544   3.029          0.063
+ATOM     19  CB  ALA    10      -7.660  -4.965   3.464          0.112
+ATOM     20  CA  ALA    11      -4.981  -4.482  -0.082          0.029
+ATOM     21  CB  ALA    11      -4.287  -4.696   0.045          0.053
+ATOM     22  CA  ALA    12      -7.086  -5.189  -3.223          0.004
+ATOM     23  CB  ALA    12      -7.387  -4.555  -3.037          0.048
+ATOM     24  CA  ALA    13      -5.634  -5.906  -6.625          0.014
+ATOM     25  CB  ALA    13      -5.718  -6.004  -7.368          0.036
+ATOM     26  CA  CYS    14      -5.058  -2.184  -6.238          0.038
+ATOM     27  CB  CYS    14      -6.078  -1.552  -5.610          0.012
+ATOM     28  CA  ALA    15      -2.034  -2.880  -4.300          0.012
+ATOM     29  CB  ALA    15      -2.186  -2.767  -3.600          0.061
+ATOM     30  CA  ALA    16      -1.007  -5.484  -7.026          0.038
+ATOM     31  CB  ALA    16      -1.438  -5.798  -7.566          0.052
+ATOM     32  CA  ALA    17       0.670  -2.718  -9.006          0.048
+ATOM     33  CB  ALA    17       0.596  -2.044  -8.661          0.005
+ATOM     34  CA  GLY    18       4.391  -3.670  -9.546          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1188.02                                       ENERGY    -1.42057E+01
+ATOM      1  CA  GLY     1     -17.561   4.043   7.719          0.031
+ATOM      2  CA  ALA     2     -18.868   2.025   4.733          0.048
+ATOM      3  CB  ALA     2     -19.213   2.459   4.197          0.146
+ATOM      4  CA  ALA     3     -17.261  -1.107   3.298          0.008
+ATOM      5  CB  ALA     3     -17.153  -1.680   2.779          0.054
+ATOM      6  CA  ALA     4     -16.087   0.644   0.145          0.011
+ATOM      7  CB  ALA     4     -16.635   0.893  -0.193          0.206
+ATOM      8  CA  CYS     5     -13.319   2.287   2.121          0.050
+ATOM      9  CB  CYS     5     -13.973   2.965   2.915          0.021
+ATOM     10  CA  ALA     6     -12.657  -0.771   4.226          0.059
+ATOM     11  CB  ALA     6     -12.932  -0.750   4.848          0.012
+ATOM     12  CA  ALA     7     -12.221  -3.005   1.179          0.048
+ATOM     13  CB  ALA     7     -12.779  -3.380   0.830          0.121
+ATOM     14  CA  ALA     8      -9.336  -1.025  -0.398          0.070
+ATOM     15  CB  ALA     8      -9.029  -0.615  -0.938          0.068
+ATOM     16  CA  ALA     9      -8.135  -0.398   3.125          0.046
+ATOM     17  CB  ALA     9      -8.810  -0.215   3.136          0.018
+ATOM     18  CA  ALA    10      -7.212  -4.058   3.497          0.009
+ATOM     19  CB  ALA    10      -7.961  -4.101   3.416          0.033
+ATOM     20  CA  ALA    11      -5.451  -4.418   0.141          0.017
+ATOM     21  CB  ALA    11      -4.680  -4.726   0.150          0.111
+ATOM     22  CA  ALA    12      -7.130  -5.483  -3.025          0.048
+ATOM     23  CB  ALA    12      -7.734  -5.079  -3.188          0.017
+ATOM     24  CA  ALA    13      -5.790  -5.398  -6.604          0.026
+ATOM     25  CB  ALA    13      -6.247  -5.766  -6.908          0.084
+ATOM     26  CA  CYS    14      -4.684  -1.854  -6.436          0.012
+ATOM     27  CB  CYS    14      -5.665  -1.338  -5.915          0.044
+ATOM     28  CA  ALA    15      -1.644  -2.856  -4.580          0.007
+ATOM     29  CB  ALA    15      -1.819  -3.339  -3.994          0.034
+ATOM     30  CA  ALA    16      -0.689  -5.390  -7.204          0.020
+ATOM     31  CB  ALA    16      -1.187  -5.806  -7.611          0.007
+ATOM     32  CA  ALA    17       0.298  -2.660  -9.518          0.024
+ATOM     33  CB  ALA    17       0.276  -1.898  -9.430          0.064
+ATOM     34  CA  GLY    18       3.322  -4.777  -9.964          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1193.02                                       ENERGY    -2.20936E+01
+ATOM      1  CA  GLY     1     -16.945   4.140   7.138          0.053
+ATOM      2  CA  ALA     2     -17.889   1.505   4.543          0.023
+ATOM      3  CB  ALA     2     -17.889   1.803   3.819          0.138
+ATOM      4  CA  ALA     3     -16.878  -1.910   3.131          0.026
+ATOM      5  CB  ALA     3     -17.367  -2.482   3.105          0.040
+ATOM      6  CA  ALA     4     -15.634  -0.206  -0.046          0.016
+ATOM      7  CB  ALA     4     -15.627   0.190  -0.674          0.018
+ATOM      8  CA  CYS     5     -13.555   2.100   2.255          0.048
+ATOM      9  CB  CYS     5     -13.869   3.120   3.017          0.016
+ATOM     10  CA  ALA     6     -12.651  -0.885   4.466          0.068
+ATOM     11  CB  ALA     6     -13.156  -1.282   4.812          0.058
+ATOM     12  CA  ALA     7     -12.202  -2.907   1.364          0.010
+ATOM     13  CB  ALA     7     -12.908  -2.779   1.082          0.020
+ATOM     14  CA  ALA     8      -9.960  -0.135  -0.048          0.021
+ATOM     15  CB  ALA     8     -10.129   0.534  -0.148          0.092
+ATOM     16  CA  ALA     9      -8.141  -0.004   3.308          0.021
+ATOM     17  CB  ALA     9      -7.593   0.075   3.869          0.203
+ATOM     18  CA  ALA    10      -8.051  -3.720   3.484          0.094
+ATOM     19  CB  ALA    10      -8.547  -4.350   3.440          0.059
+ATOM     20  CA  ALA    11      -5.869  -3.980   0.443          0.024
+ATOM     21  CB  ALA    11      -5.385  -4.477   0.552          0.054
+ATOM     22  CA  ALA    12      -7.419  -4.591  -2.916          0.022
+ATOM     23  CB  ALA    12      -7.883  -4.013  -3.101          0.190
+ATOM     24  CA  ALA    13      -6.195  -5.379  -6.445          0.039
+ATOM     25  CB  ALA    13      -6.256  -5.876  -6.987          0.090
+ATOM     26  CA  CYS    14      -4.694  -2.015  -6.761          0.005
+ATOM     27  CB  CYS    14      -5.316  -1.228  -6.088          0.039
+ATOM     28  CA  ALA    15      -1.649  -2.773  -4.735          0.016
+ATOM     29  CB  ALA    15      -1.450  -2.731  -3.952          0.066
+ATOM     30  CA  ALA    16      -0.783  -5.769  -6.940          0.032
+ATOM     31  CB  ALA    16      -1.065  -6.348  -7.254          0.028
+ATOM     32  CA  ALA    17      -0.011  -3.343  -9.773          0.041
+ATOM     33  CB  ALA    17      -0.053  -2.661  -9.543          0.050
+ATOM     34  CA  GLY    18       3.168  -4.345 -11.548          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1198.02                                       ENERGY    -1.82145E+01
+ATOM      1  CA  GLY     1     -15.610   2.784   6.603          0.013
+ATOM      2  CA  ALA     2     -18.075   1.657   3.895          0.006
+ATOM      3  CB  ALA     2     -18.469   1.793   3.342          0.118
+ATOM      4  CA  ALA     3     -16.880  -1.984   3.377          0.004
+ATOM      5  CB  ALA     3     -17.296  -2.502   3.257          0.040
+ATOM      6  CA  ALA     4     -15.536  -0.302   0.232          0.026
+ATOM      7  CB  ALA     4     -16.118   0.007  -0.124          0.022
+ATOM      8  CA  CYS     5     -13.422   1.919   2.543          0.016
+ATOM      9  CB  CYS     5     -14.160   2.902   2.663          0.011
+ATOM     10  CA  ALA     6     -12.678  -1.213   4.610          0.021
+ATOM     11  CB  ALA     6     -13.337  -1.236   4.938          0.051
+ATOM     12  CA  ALA     7     -11.515  -2.903   1.409          0.018
+ATOM     13  CB  ALA     7     -11.900  -2.877   0.822          0.113
+ATOM     14  CA  ALA     8      -9.710   0.210   0.282          0.017
+ATOM     15  CB  ALA     8     -10.136   0.759   0.031          0.025
+ATOM     16  CA  ALA     9      -7.762   0.014   3.586          0.152
+ATOM     17  CB  ALA     9      -7.724   0.560   4.118          0.069
+ATOM     18  CA  ALA    10      -7.921  -3.777   3.660          0.021
+ATOM     19  CB  ALA    10      -8.479  -3.934   4.138          0.204
+ATOM     20  CA  ALA    11      -6.221  -4.099   0.339          0.008
+ATOM     21  CB  ALA    11      -6.036  -4.750   0.071          0.039
+ATOM     22  CA  ALA    12      -7.914  -3.399  -3.033          0.064
+ATOM     23  CB  ALA    12      -8.399  -2.971  -2.613          0.035
+ATOM     24  CA  ALA    13      -6.210  -5.188  -5.879          0.051
+ATOM     25  CB  ALA    13      -6.460  -5.710  -6.376          0.014
+ATOM     26  CA  CYS    14      -4.486  -2.070  -7.138          0.028
+ATOM     27  CB  CYS    14      -4.920  -1.222  -6.295          0.012
+ATOM     28  CA  ALA    15      -1.399  -2.426  -5.073          0.023
+ATOM     29  CB  ALA    15      -1.493  -2.427  -4.352          0.027
+ATOM     30  CA  ALA    16      -0.713  -5.913  -6.551          0.012
+ATOM     31  CB  ALA    16      -1.376  -6.330  -6.590          0.044
+ATOM     32  CA  ALA    17      -0.215  -4.319 -10.030          0.041
+ATOM     33  CB  ALA    17      -0.437  -3.634  -9.719          0.096
+ATOM     34  CA  GLY    18       2.398  -3.805 -12.685          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1203.02                                       ENERGY    -9.84292E+00
+ATOM      1  CA  GLY     1     -16.306   2.547   7.049          0.019
+ATOM      2  CA  ALA     2     -18.680   1.280   4.315          0.019
+ATOM      3  CB  ALA     2     -18.968   2.016   4.180          0.091
+ATOM      4  CA  ALA     3     -17.097  -1.970   3.247          0.013
+ATOM      5  CB  ALA     3     -17.433  -2.550   2.956          0.008
+ATOM      6  CA  ALA     4     -15.825  -0.285   0.105          0.007
+ATOM      7  CB  ALA     4     -16.349   0.106  -0.284          0.116
+ATOM      8  CA  CYS     5     -13.446   2.028   1.944          0.009
+ATOM      9  CB  CYS     5     -14.103   2.817   2.521          0.019
+ATOM     10  CA  ALA     6     -12.275  -0.803   4.319          0.032
+ATOM     11  CB  ALA     6     -12.539  -1.052   4.875          0.009
+ATOM     12  CA  ALA     7     -11.456  -2.856   1.283          0.035
+ATOM     13  CB  ALA     7     -11.932  -3.361   1.087          0.055
+ATOM     14  CA  ALA     8      -8.814  -0.301   0.395          0.024
+ATOM     15  CB  ALA     8      -8.646   0.127  -0.255          0.019
+ATOM     16  CA  ALA     9      -7.860   0.207   4.046          0.007
+ATOM     17  CB  ALA     9      -8.568   0.250   4.144          0.157
+ATOM     18  CA  ALA    10      -7.076  -3.493   4.080          0.009
+ATOM     19  CB  ALA    10      -7.239  -4.136   4.490          0.057
+ATOM     20  CA  ALA    11      -6.321  -3.849   0.364          0.036
+ATOM     21  CB  ALA    11      -6.029  -4.532   0.308          0.033
+ATOM     22  CA  ALA    12      -7.990  -3.291  -3.027          0.038
+ATOM     23  CB  ALA    12      -7.835  -2.738  -3.506          0.044
+ATOM     24  CA  ALA    13      -6.001  -5.103  -5.686          0.037
+ATOM     25  CB  ALA    13      -6.220  -5.802  -6.043          0.040
+ATOM     26  CA  CYS    14      -4.477  -1.807  -6.909          0.016
+ATOM     27  CB  CYS    14      -5.040  -0.631  -6.637          0.034
+ATOM     28  CA  ALA    15      -1.349  -2.531  -4.927          0.016
+ATOM     29  CB  ALA    15      -1.286  -2.624  -4.178          0.021
+ATOM     30  CA  ALA    16      -1.125  -5.948  -6.776          0.086
+ATOM     31  CB  ALA    16      -1.625  -6.283  -6.419          0.051
+ATOM     32  CA  ALA    17      -0.919  -4.139 -10.237          0.055
+ATOM     33  CB  ALA    17      -1.242  -3.524 -10.455          0.046
+ATOM     34  CA  GLY    18       1.884  -4.870 -12.669          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1208.01                                       ENERGY    -1.54939E+01
+ATOM      1  CA  GLY     1     -17.523   3.174   7.887          0.017
+ATOM      2  CA  ALA     2     -18.364   1.205   4.628          0.008
+ATOM      3  CB  ALA     2     -18.494   1.119   3.916          0.089
+ATOM      4  CA  ALA     3     -17.031  -2.043   3.108          0.025
+ATOM      5  CB  ALA     3     -17.238  -2.715   3.260          0.090
+ATOM      6  CA  ALA     4     -15.958  -0.106  -0.039          0.021
+ATOM      7  CB  ALA     4     -16.243   0.242  -0.582          0.067
+ATOM      8  CA  CYS     5     -13.544   2.026   1.933          0.048
+ATOM      9  CB  CYS     5     -14.051   2.748   2.764          0.023
+ATOM     10  CA  ALA     6     -12.921  -0.846   4.374          0.011
+ATOM     11  CB  ALA     6     -13.503  -1.309   4.451          0.013
+ATOM     12  CA  ALA     7     -11.245  -2.757   1.543          0.018
+ATOM     13  CB  ALA     7     -11.812  -2.921   1.041          0.162
+ATOM     14  CA  ALA     8      -9.134   0.145   0.328          0.013
+ATOM     15  CB  ALA     8      -9.128   0.880   0.457          0.049
+ATOM     16  CA  ALA     9      -7.512   0.254   3.779          0.033
+ATOM     17  CB  ALA     9      -7.566   0.377   4.529          0.032
+ATOM     18  CA  ALA    10      -7.063  -3.597   3.859          0.058
+ATOM     19  CB  ALA    10      -7.739  -3.780   4.154          0.095
+ATOM     20  CA  ALA    11      -5.203  -3.743   0.511          0.066
+ATOM     21  CB  ALA    11      -4.549  -4.019   0.366          0.123
+ATOM     22  CA  ALA    12      -6.920  -4.227  -2.790          0.044
+ATOM     23  CB  ALA    12      -7.349  -3.727  -2.595          0.145
+ATOM     24  CA  ALA    13      -5.945  -5.176  -6.326          0.009
+ATOM     25  CB  ALA    13      -6.008  -5.244  -7.026          0.070
+ATOM     26  CA  CYS    14      -4.605  -1.588  -7.001          0.014
+ATOM     27  CB  CYS    14      -5.245  -0.718  -6.650          0.003
+ATOM     28  CA  ALA    15      -1.331  -2.449  -5.252          0.018
+ATOM     29  CB  ALA    15      -1.155  -2.473  -4.561          0.035
+ATOM     30  CA  ALA    16      -1.161  -5.712  -7.218          0.008
+ATOM     31  CB  ALA    16      -1.570  -6.370  -7.384          0.062
+ATOM     32  CA  ALA    17      -2.002  -3.998 -10.437          0.032
+ATOM     33  CB  ALA    17      -1.809  -3.354 -10.147          0.067
+ATOM     34  CA  GLY    18       1.042  -6.179 -11.221          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1213.01                                       ENERGY    -7.75041E+00
+ATOM      1  CA  GLY     1     -18.131   3.351   7.485          0.024
+ATOM      2  CA  ALA     2     -18.618   1.112   4.418          0.059
+ATOM      3  CB  ALA     2     -18.799   1.661   3.899          0.111
+ATOM      4  CA  ALA     3     -16.958  -2.112   3.289          0.034
+ATOM      5  CB  ALA     3     -17.099  -2.762   2.952          0.057
+ATOM      6  CA  ALA     4     -15.498  -0.433   0.250          0.038
+ATOM      7  CB  ALA     4     -16.150  -0.082  -0.102          0.007
+ATOM      8  CA  CYS     5     -13.778   2.025   2.559          0.014
+ATOM      9  CB  CYS     5     -14.412   3.003   3.182          0.024
+ATOM     10  CA  ALA     6     -12.416  -0.991   4.305          0.012
+ATOM     11  CB  ALA     6     -12.657  -1.147   5.035          0.189
+ATOM     12  CA  ALA     7     -11.253  -2.575   1.106          0.013
+ATOM     13  CB  ALA     7     -11.224  -2.843   0.365          0.041
+ATOM     14  CA  ALA     8      -9.458   0.733   0.732          0.016
+ATOM     15  CB  ALA     8      -9.810   1.367   0.566          0.036
+ATOM     16  CA  ALA     9      -7.260  -0.083   3.759          0.003
+ATOM     17  CB  ALA     9      -7.279   0.128   4.457          0.036
+ATOM     18  CA  ALA    10      -7.249  -3.673   2.876          0.004
+ATOM     19  CB  ALA    10      -7.971  -3.921   3.109          0.169
+ATOM     20  CA  ALA    11      -4.211  -3.450   0.596          0.027
+ATOM     21  CB  ALA    11      -3.490  -3.771   0.668          0.017
+ATOM     22  CA  ALA    12      -6.080  -4.629  -2.548          0.007
+ATOM     23  CB  ALA    12      -6.785  -4.562  -2.617          0.051
+ATOM     24  CA  ALA    13      -6.137  -5.059  -6.322          0.051
+ATOM     25  CB  ALA    13      -6.713  -5.539  -6.193          0.032
+ATOM     26  CA  CYS    14      -5.091  -1.301  -6.774          0.032
+ATOM     27  CB  CYS    14      -5.656  -0.454  -6.133          0.043
+ATOM     28  CA  ALA    15      -1.543  -2.197  -5.347          0.028
+ATOM     29  CB  ALA    15      -1.426  -2.376  -4.613          0.057
+ATOM     30  CA  ALA    16      -1.761  -5.500  -7.202          0.009
+ATOM     31  CB  ALA    16      -2.016  -6.172  -7.008          0.057
+ATOM     32  CA  ALA    17      -1.605  -4.316 -10.796          0.045
+ATOM     33  CB  ALA    17      -1.377  -3.615 -10.932          0.099
+ATOM     34  CA  GLY    18       0.615  -7.147 -12.023          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1218.01                                       ENERGY    -1.42577E+01
+ATOM      1  CA  GLY     1     -18.209   2.974   7.105          0.039
+ATOM      2  CA  ALA     2     -19.176   1.025   3.920          0.006
+ATOM      3  CB  ALA     2     -19.239   1.100   3.178          0.007
+ATOM      4  CA  ALA     3     -16.898  -2.064   3.678          0.039
+ATOM      5  CB  ALA     3     -17.392  -2.626   3.795          0.037
+ATOM      6  CA  ALA     4     -15.441   0.022   0.790          0.033
+ATOM      7  CB  ALA     4     -15.729   0.241   0.128          0.054
+ATOM      8  CA  CYS     5     -13.460   2.093   3.211          0.016
+ATOM      9  CB  CYS     5     -14.573   2.672   3.296          0.036
+ATOM     10  CA  ALA     6     -11.888  -1.161   4.481          0.028
+ATOM     11  CB  ALA     6     -12.205  -1.718   4.977          0.008
+ATOM     12  CA  ALA     7     -11.222  -2.330   0.946          0.055
+ATOM     13  CB  ALA     7     -11.881  -2.128   0.746          0.059
+ATOM     14  CA  ALA     8      -8.966   0.573   0.211          0.012
+ATOM     15  CB  ALA     8      -8.423   1.140  -0.062          0.128
+ATOM     16  CA  ALA     9      -7.233   0.161   3.503          0.035
+ATOM     17  CB  ALA     9      -7.591   0.277   4.087          0.018
+ATOM     18  CA  ALA    10      -6.638  -3.545   3.027          0.044
+ATOM     19  CB  ALA    10      -6.939  -3.833   2.409          0.107
+ATOM     20  CA  ALA    11      -3.970  -3.435   0.369          0.010
+ATOM     21  CB  ALA    11      -3.416  -3.552   0.768          0.022
+ATOM     22  CA  ALA    12      -6.498  -4.558  -2.281          0.012
+ATOM     23  CB  ALA    12      -6.897  -4.025  -1.945          0.061
+ATOM     24  CA  ALA    13      -6.346  -5.107  -6.060          0.006
+ATOM     25  CB  ALA    13      -6.574  -5.120  -6.783          0.033
+ATOM     26  CA  CYS    14      -5.578  -1.389  -6.601          0.050
+ATOM     27  CB  CYS    14      -6.291  -1.101  -5.620          0.048
+ATOM     28  CA  ALA    15      -1.834  -1.916  -5.762          0.008
+ATOM     29  CB  ALA    15      -1.541  -1.813  -5.196          0.083
+ATOM     30  CA  ALA    16      -1.995  -5.536  -6.917          0.009
+ATOM     31  CB  ALA    16      -2.571  -5.833  -6.599          0.067
+ATOM     32  CA  ALA    17      -1.060  -4.653 -10.510          0.040
+ATOM     33  CB  ALA    17      -0.545  -4.174 -10.761          0.060
+ATOM     34  CA  GLY    18      -0.310  -7.143 -13.353          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1223.01                                       ENERGY    -2.42047E+01
+ATOM      1  CA  GLY     1     -19.825   2.483   7.564          0.021
+ATOM      2  CA  ALA     2     -19.415   0.762   4.275          0.040
+ATOM      3  CB  ALA     2     -19.607   1.031   3.605          0.016
+ATOM      4  CA  ALA     3     -16.555  -1.580   3.763          0.021
+ATOM      5  CB  ALA     3     -16.676  -2.353   3.923          0.134
+ATOM      6  CA  ALA     4     -15.320  -0.027   0.568          0.018
+ATOM      7  CB  ALA     4     -15.748   0.371   0.043          0.046
+ATOM      8  CA  CYS     5     -12.806   2.179   2.482          0.042
+ATOM      9  CB  CYS     5     -13.627   2.766   3.194          0.033
+ATOM     10  CA  ALA     6     -11.778  -0.984   4.301          0.027
+ATOM     11  CB  ALA     6     -12.221  -1.413   4.673          0.102
+ATOM     12  CA  ALA     7     -10.854  -2.729   1.039          0.149
+ATOM     13  CB  ALA     7     -11.151  -3.130   0.519          0.053
+ATOM     14  CA  ALA     8      -8.441   0.033   0.057          0.046
+ATOM     15  CB  ALA     8      -8.500   0.691  -0.196          0.159
+ATOM     16  CA  ALA     9      -7.199   0.355   3.606          0.030
+ATOM     17  CB  ALA     9      -7.614   0.667   4.157          0.141
+ATOM     18  CA  ALA    10      -6.049  -3.279   3.737          0.033
+ATOM     19  CB  ALA    10      -6.640  -3.389   4.188          0.028
+ATOM     20  CA  ALA    11      -4.364  -3.513   0.351          0.017
+ATOM     21  CB  ALA    11      -3.839  -3.686  -0.187          0.183
+ATOM     22  CA  ALA    12      -6.831  -4.266  -2.415          0.040
+ATOM     23  CB  ALA    12      -7.560  -4.068  -2.280          0.059
+ATOM     24  CA  ALA    13      -6.438  -5.274  -6.065          0.060
+ATOM     25  CB  ALA    13      -6.977  -5.780  -6.371          0.035
+ATOM     26  CA  CYS    14      -5.878  -1.677  -6.988          0.010
+ATOM     27  CB  CYS    14      -6.334  -0.992  -6.155          0.009
+ATOM     28  CA  ALA    15      -2.245  -1.678  -5.622          0.003
+ATOM     29  CB  ALA    15      -1.963  -1.617  -4.981          0.044
+ATOM     30  CA  ALA    16      -1.768  -5.222  -6.741          0.008
+ATOM     31  CB  ALA    16      -2.202  -5.779  -6.923          0.038
+ATOM     32  CA  ALA    17      -1.200  -4.675 -10.430          0.033
+ATOM     33  CB  ALA    17      -0.670  -4.122 -10.311          0.070
+ATOM     34  CA  GLY    18      -1.147  -6.885 -13.532          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1228.01                                       ENERGY    -1.73184E+01
+ATOM      1  CA  GLY     1     -21.632   1.704   7.368          0.068
+ATOM      2  CA  ALA     2     -19.035   0.934   4.578          0.069
+ATOM      3  CB  ALA     2     -18.478   1.323   4.298          0.136
+ATOM      4  CA  ALA     3     -16.217  -1.484   3.926          0.050
+ATOM      5  CB  ALA     3     -15.748  -2.067   3.759          0.048
+ATOM      6  CA  ALA     4     -15.518  -0.131   0.436          0.049
+ATOM      7  CB  ALA     4     -16.084   0.270   0.237          0.064
+ATOM      8  CA  CYS     5     -12.372   1.694   1.619          0.008
+ATOM      9  CB  CYS     5     -12.364   2.575   2.449          0.054
+ATOM     10  CA  ALA     6     -11.528  -0.803   4.347          0.017
+ATOM     11  CB  ALA     6     -11.720  -1.455   4.672          0.019
+ATOM     12  CA  ALA     7     -10.244  -3.071   1.603          0.014
+ATOM     13  CB  ALA     7     -10.816  -3.216   1.106          0.102
+ATOM     14  CA  ALA     8      -8.225  -0.075   0.171          0.007
+ATOM     15  CB  ALA     8      -8.493   0.268  -0.354          0.076
+ATOM     16  CA  ALA     9      -7.221   0.754   3.718          0.007
+ATOM     17  CB  ALA     9      -7.492   0.993   4.326          0.054
+ATOM     18  CA  ALA    10      -5.866  -2.789   3.931          0.018
+ATOM     19  CB  ALA    10      -5.943  -3.516   4.070          0.035
+ATOM     20  CA  ALA    11      -5.322  -3.199   0.160          0.029
+ATOM     21  CB  ALA    11      -4.722  -3.420   0.412          0.102
+ATOM     22  CA  ALA    12      -7.635  -4.044  -2.729          0.047
+ATOM     23  CB  ALA    12      -7.755  -3.349  -2.867          0.081
+ATOM     24  CA  ALA    13      -6.622  -5.661  -6.022          0.017
+ATOM     25  CB  ALA    13      -6.695  -6.262  -6.469          0.066
+ATOM     26  CA  CYS    14      -5.843  -2.118  -7.233          0.059
+ATOM     27  CB  CYS    14      -6.583  -1.374  -6.607          0.056
+ATOM     28  CA  ALA    15      -2.598  -1.997  -5.159          0.018
+ATOM     29  CB  ALA    15      -2.533  -2.177  -4.462          0.060
+ATOM     30  CA  ALA    16      -1.559  -5.159  -6.861          0.016
+ATOM     31  CB  ALA    16      -2.144  -5.677  -7.039          0.104
+ATOM     32  CA  ALA    17      -1.760  -3.719 -10.297          0.031
+ATOM     33  CB  ALA    17      -1.180  -3.424 -10.621          0.184
+ATOM     34  CA  GLY    18      -1.746  -6.689 -12.626          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1232.99                                       ENERGY    -1.96928E+01
+ATOM      1  CA  GLY     1     -21.481  -0.258   5.634          0.067
+ATOM      2  CA  ALA     2     -18.172   1.590   4.920          0.070
+ATOM      3  CB  ALA     2     -17.990   2.240   5.122          0.041
+ATOM      4  CA  ALA     3     -15.966  -1.415   4.239          0.028
+ATOM      5  CB  ALA     3     -16.267  -1.803   4.675          0.038
+ATOM      6  CA  ALA     4     -15.045  -0.356   0.707          0.008
+ATOM      7  CB  ALA     4     -15.399  -0.017   0.174          0.042
+ATOM      8  CA  CYS     5     -12.334   1.966   2.076          0.051
+ATOM      9  CB  CYS     5     -12.532   3.224   2.103          0.031
+ATOM     10  CA  ALA     6     -11.314  -0.777   4.526          0.015
+ATOM     11  CB  ALA     6     -11.945  -0.852   4.898          0.103
+ATOM     12  CA  ALA     7     -10.221  -3.155   1.688          0.037
+ATOM     13  CB  ALA     7     -10.589  -3.255   1.100          0.140
+ATOM     14  CA  ALA     8      -8.713  -0.147  -0.038          0.017
+ATOM     15  CB  ALA     8      -8.967   0.568   0.052          0.056
+ATOM     16  CA  ALA     9      -6.871   0.676   3.146          0.028
+ATOM     17  CB  ALA     9      -7.484   0.972   3.461          0.062
+ATOM     18  CA  ALA    10      -5.918  -2.922   3.624          0.003
+ATOM     19  CB  ALA    10      -6.219  -3.300   4.163          0.045
+ATOM     20  CA  ALA    11      -4.746  -3.288   0.020          0.031
+ATOM     21  CB  ALA    11      -4.208  -3.646  -0.420          0.084
+ATOM     22  CA  ALA    12      -7.446  -4.543  -2.432          0.060
+ATOM     23  CB  ALA    12      -8.067  -4.055  -2.537          0.060
+ATOM     24  CA  ALA    13      -7.005  -5.920  -5.930          0.045
+ATOM     25  CB  ALA    13      -7.408  -6.175  -6.543          0.148
+ATOM     26  CA  CYS    14      -5.928  -2.416  -7.167          0.010
+ATOM     27  CB  CYS    14      -6.840  -1.612  -6.878          0.010
+ATOM     28  CA  ALA    15      -2.783  -2.308  -4.969          0.023
+ATOM     29  CB  ALA    15      -3.260  -2.477  -4.435          0.111
+ATOM     30  CA  ALA    16      -1.103  -5.082  -6.987          0.024
+ATOM     31  CB  ALA    16      -1.486  -5.707  -7.003          0.042
+ATOM     32  CA  ALA    17      -2.167  -3.133 -10.096          0.025
+ATOM     33  CB  ALA    17      -1.984  -2.547 -10.390          0.061
+ATOM     34  CA  GLY    18      -2.251  -6.278 -12.233          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1237.98                                       ENERGY    -2.14856E+01
+ATOM      1  CA  GLY     1     -20.289  -1.079   3.914          0.086
+ATOM      2  CA  ALA     2     -17.925   1.851   4.594          0.065
+ATOM      3  CB  ALA     2     -17.710   2.290   5.158          0.059
+ATOM      4  CA  ALA     3     -15.477  -1.018   4.659          0.015
+ATOM      5  CB  ALA     3     -15.962  -1.583   4.537          0.022
+ATOM      6  CA  ALA     4     -14.865  -0.462   0.986          0.053
+ATOM      7  CB  ALA     4     -15.441  -0.826   0.909          0.180
+ATOM      8  CA  CYS     5     -12.734   2.508   2.145          0.084
+ATOM      9  CB  CYS     5     -13.381   3.013   3.136          0.029
+ATOM     10  CA  ALA     6     -10.791   0.205   4.496          0.090
+ATOM     11  CB  ALA     6     -11.008  -0.081   5.148          0.186
+ATOM     12  CA  ALA     7     -10.652  -2.633   2.006          0.013
+ATOM     13  CB  ALA     7     -11.093  -3.257   1.840          0.070
+ATOM     14  CA  ALA     8      -8.744  -0.453  -0.415          0.024
+ATOM     15  CB  ALA     8      -9.099  -0.046  -0.910          0.013
+ATOM     16  CA  ALA     9      -6.457   0.658   2.390          0.039
+ATOM     17  CB  ALA     9      -6.556   1.112   3.056          0.089
+ATOM     18  CA  ALA    10      -6.091  -2.909   3.570          0.021
+ATOM     19  CB  ALA    10      -6.833  -3.119   3.432          0.020
+ATOM     20  CA  ALA    11      -4.672  -3.977   0.181          0.041
+ATOM     21  CB  ALA    11      -4.092  -4.366   0.147          0.007
+ATOM     22  CA  ALA    12      -7.155  -5.037  -2.446          0.033
+ATOM     23  CB  ALA    12      -7.646  -4.713  -2.063          0.044
+ATOM     24  CA  ALA    13      -6.926  -6.218  -6.013          0.015
+ATOM     25  CB  ALA    13      -7.335  -6.755  -5.978          0.074
+ATOM     26  CA  CYS    14      -6.395  -2.594  -7.237          0.034
+ATOM     27  CB  CYS    14      -7.086  -1.697  -6.833          0.077
+ATOM     28  CA  ALA    15      -3.419  -2.044  -4.801          0.019
+ATOM     29  CB  ALA    15      -3.252  -2.316  -4.157          0.081
+ATOM     30  CA  ALA    16      -1.336  -4.455  -6.880          0.009
+ATOM     31  CB  ALA    16      -1.523  -5.141  -6.755          0.014
+ATOM     32  CA  ALA    17      -2.427  -3.134 -10.227          0.010
+ATOM     33  CB  ALA    17      -2.022  -2.597 -10.597          0.027
+ATOM     34  CA  GLY    18      -2.556  -5.744 -13.059          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1242.98                                       ENERGY    -2.13196E+01
+ATOM      1  CA  GLY     1     -19.494   0.051   2.007          0.020
+ATOM      2  CA  ALA     2     -18.104   1.342   5.302          0.044
+ATOM      3  CB  ALA     2     -18.752   1.661   5.555          0.104
+ATOM      4  CA  ALA     3     -15.314  -1.249   5.108          0.018
+ATOM      5  CB  ALA     3     -15.038  -1.693   5.551          0.068
+ATOM      6  CA  ALA     4     -14.906  -0.752   1.377          0.015
+ATOM      7  CB  ALA     4     -14.652  -0.511   0.717          0.048
+ATOM      8  CA  CYS     5     -12.904   2.398   2.101          0.013
+ATOM      9  CB  CYS     5     -13.695   2.974   2.946          0.044
+ATOM     10  CA  ALA     6     -10.385   0.740   4.481          0.026
+ATOM     11  CB  ALA     6     -10.262   0.933   5.182          0.080
+ATOM     12  CA  ALA     7     -10.426  -2.443   2.500          0.013
+ATOM     13  CB  ALA     7     -10.842  -2.605   1.870          0.086
+ATOM     14  CA  ALA     8      -9.173  -0.582  -0.584          0.080
+ATOM     15  CB  ALA     8      -9.339  -0.156  -1.240          0.019
+ATOM     16  CA  ALA     9      -6.129   0.333   1.327          0.026
+ATOM     17  CB  ALA     9      -6.276   0.880   1.840          0.077
+ATOM     18  CA  ALA    10      -6.089  -2.855   3.429          0.032
+ATOM     19  CB  ALA    10      -6.639  -3.238   3.739          0.036
+ATOM     20  CA  ALA    11      -4.519  -4.556   0.378          0.007
+ATOM     21  CB  ALA    11      -4.038  -5.064   0.275          0.066
+ATOM     22  CA  ALA    12      -7.176  -5.056  -2.298          0.023
+ATOM     23  CB  ALA    12      -7.693  -4.630  -1.943          0.244
+ATOM     24  CA  ALA    13      -6.020  -6.087  -5.761          0.034
+ATOM     25  CB  ALA    13      -6.109  -6.345  -6.413          0.233
+ATOM     26  CA  CYS    14      -6.796  -2.654  -7.008          0.079
+ATOM     27  CB  CYS    14      -7.744  -2.371  -6.211          0.005
+ATOM     28  CA  ALA    15      -3.698  -1.758  -5.031          0.010
+ATOM     29  CB  ALA    15      -3.831  -1.748  -4.300          0.096
+ATOM     30  CA  ALA    16      -1.979  -4.661  -6.836          0.016
+ATOM     31  CB  ALA    16      -1.859  -5.340  -6.569          0.032
+ATOM     32  CA  ALA    17      -2.809  -3.115 -10.201          0.023
+ATOM     33  CB  ALA    17      -2.418  -2.487 -10.296          0.014
+ATOM     34  CA  GLY    18      -2.740  -5.017 -13.575          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1247.98                                       ENERGY    -6.19161E-01
+ATOM      1  CA  GLY     1     -18.575   0.586   1.207          0.022
+ATOM      2  CA  ALA     2     -18.178   1.407   4.974          0.023
+ATOM      3  CB  ALA     2     -18.421   0.999   5.520          0.109
+ATOM      4  CA  ALA     3     -15.279  -1.057   5.534          0.011
+ATOM      5  CB  ALA     3     -15.318  -1.624   5.987          0.013
+ATOM      6  CA  ALA     4     -14.438  -0.897   1.837          0.052
+ATOM      7  CB  ALA     4     -15.081  -1.266   2.063          0.115
+ATOM      8  CA  CYS     5     -12.752   2.435   2.091          0.009
+ATOM      9  CB  CYS     5     -13.897   2.967   2.314          0.019
+ATOM     10  CA  ALA     6      -9.949   0.945   4.200          0.010
+ATOM     11  CB  ALA     6     -10.484   0.794   4.714          0.002
+ATOM     12  CA  ALA     7     -10.084  -2.414   2.442          0.012
+ATOM     13  CB  ALA     7     -10.731  -2.741   2.457          0.080
+ATOM     14  CA  ALA     8      -9.156  -0.475  -0.658          0.017
+ATOM     15  CB  ALA     8      -9.813  -0.379  -0.732          0.004
+ATOM     16  CA  ALA     9      -6.040   0.816   1.033          0.003
+ATOM     17  CB  ALA     9      -5.800   1.448   1.468          0.069
+ATOM     18  CA  ALA    10      -5.648  -2.604   2.814          0.016
+ATOM     19  CB  ALA    10      -6.135  -3.042   3.114          0.042
+ATOM     20  CA  ALA    11      -4.341  -5.166   0.482          0.031
+ATOM     21  CB  ALA    11      -4.150  -5.905   0.705          0.034
+ATOM     22  CA  ALA    12      -7.032  -6.022  -1.938          0.036
+ATOM     23  CB  ALA    12      -7.511  -5.588  -2.402          0.154
+ATOM     24  CA  ALA    13      -6.595  -6.424  -5.646          0.055
+ATOM     25  CB  ALA    13      -6.923  -7.035  -5.955          0.027
+ATOM     26  CA  CYS    14      -7.224  -2.769  -6.481          0.004
+ATOM     27  CB  CYS    14      -8.118  -2.417  -5.608          0.021
+ATOM     28  CA  ALA    15      -4.004  -1.310  -5.218          0.022
+ATOM     29  CB  ALA    15      -3.760  -0.767  -4.705          0.036
+ATOM     30  CA  ALA    16      -1.937  -4.051  -6.764          0.023
+ATOM     31  CB  ALA    16      -2.565  -4.484  -6.660          0.030
+ATOM     32  CA  ALA    17      -2.800  -3.059 -10.297          0.003
+ATOM     33  CB  ALA    17      -2.749  -2.327 -10.342          0.055
+ATOM     34  CA  GLY    18      -2.539  -4.595 -13.872          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1252.95                                       ENERGY    -1.66530E+01
+ATOM      1  CA  GLY     1     -18.728   0.012   1.785          0.005
+ATOM      2  CA  ALA     2     -17.407   2.073   4.706          0.044
+ATOM      3  CB  ALA     2     -18.113   2.341   4.952          0.168
+ATOM      4  CA  ALA     3     -15.263  -0.854   5.656          0.017
+ATOM      5  CB  ALA     3     -14.799  -1.378   5.936          0.016
+ATOM      6  CA  ALA     4     -14.386  -1.605   1.991          0.002
+ATOM      7  CB  ALA     4     -14.373  -1.287   1.293          0.021
+ATOM      8  CA  CYS     5     -12.892   1.880   1.881          0.007
+ATOM      9  CB  CYS     5     -13.952   2.521   1.935          0.019
+ATOM     10  CA  ALA     6     -10.365   0.771   4.570          0.092
+ATOM     11  CB  ALA     6     -10.432   0.976   5.224          0.018
+ATOM     12  CA  ALA     7      -9.683  -2.483   2.737          0.005
+ATOM     13  CB  ALA     7     -10.226  -2.829   3.077          0.060
+ATOM     14  CA  ALA     8      -9.288  -0.623  -0.537          0.049
+ATOM     15  CB  ALA     8      -9.664   0.055  -0.732          0.046
+ATOM     16  CA  ALA     9      -5.998   0.805   0.562          0.009
+ATOM     17  CB  ALA     9      -5.855   1.373   0.988          0.047
+ATOM     18  CA  ALA    10      -5.093  -2.342   2.460          0.017
+ATOM     19  CB  ALA    10      -5.627  -2.225   2.908          0.066
+ATOM     20  CA  ALA    11      -4.429  -5.441   0.353          0.001
+ATOM     21  CB  ALA    11      -4.012  -5.911   0.741          0.019
+ATOM     22  CA  ALA    12      -7.360  -6.506  -2.018          0.037
+ATOM     23  CB  ALA    12      -7.494  -6.215  -1.358          0.008
+ATOM     24  CA  ALA    13      -6.103  -6.180  -5.569          0.006
+ATOM     25  CB  ALA    13      -6.458  -6.611  -6.110          0.132
+ATOM     26  CA  CYS    14      -7.756  -2.790  -6.147          0.030
+ATOM     27  CB  CYS    14      -8.676  -2.533  -5.403          0.040
+ATOM     28  CA  ALA    15      -4.509  -1.190  -5.285          0.006
+ATOM     29  CB  ALA    15      -4.160  -1.390  -4.609          0.040
+ATOM     30  CA  ALA    16      -2.653  -4.055  -7.092          0.026
+ATOM     31  CB  ALA    16      -2.434  -4.772  -6.994          0.074
+ATOM     32  CA  ALA    17      -3.598  -2.563 -10.404          0.029
+ATOM     33  CB  ALA    17      -3.406  -1.827 -10.440          0.089
+ATOM     34  CA  GLY    18      -1.646  -4.279 -13.225          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1257.95                                       ENERGY    -7.48587E+00
+ATOM      1  CA  GLY     1     -19.999   0.111   3.447          0.036
+ATOM      2  CA  ALA     2     -16.829   2.073   3.929          0.007
+ATOM      3  CB  ALA     2     -16.332   2.587   4.119          0.013
+ATOM      4  CA  ALA     3     -15.204  -1.035   5.525          0.023
+ATOM      5  CB  ALA     3     -15.759  -1.500   5.571          0.136
+ATOM      6  CA  ALA     4     -14.207  -1.892   1.904          0.045
+ATOM      7  CB  ALA     4     -14.461  -2.552   2.155          0.015
+ATOM      8  CA  CYS     5     -12.642   1.572   1.414          0.021
+ATOM      9  CB  CYS     5     -13.055   2.765   1.537          0.024
+ATOM     10  CA  ALA     6     -10.367   1.159   4.452          0.004
+ATOM     11  CB  ALA     6     -10.554   1.402   5.139          0.030
+ATOM     12  CA  ALA     7      -9.494  -2.251   3.103          0.023
+ATOM     13  CB  ALA     7      -9.461  -2.709   2.552          0.027
+ATOM     14  CA  ALA     8      -9.170  -0.900  -0.514          0.004
+ATOM     15  CB  ALA     8      -9.609  -0.824  -0.996          0.133
+ATOM     16  CA  ALA     9      -5.870   0.863   0.493          0.019
+ATOM     17  CB  ALA     9      -5.986   1.555   0.666          0.013
+ATOM     18  CA  ALA    10      -4.916  -2.161   2.535          0.007
+ATOM     19  CB  ALA    10      -5.437  -2.285   3.166          0.047
+ATOM     20  CA  ALA    11      -4.170  -5.031   0.161          0.005
+ATOM     21  CB  ALA    11      -3.804  -5.542  -0.072          0.055
+ATOM     22  CA  ALA    12      -7.239  -6.330  -1.771          0.010
+ATOM     23  CB  ALA    12      -7.753  -5.969  -2.135          0.003
+ATOM     24  CA  ALA    13      -6.437  -6.522  -5.392          0.026
+ATOM     25  CB  ALA    13      -6.970  -6.848  -5.817          0.139
+ATOM     26  CA  CYS    14      -7.866  -2.980  -5.830          0.009
+ATOM     27  CB  CYS    14      -8.896  -3.042  -5.177          0.003
+ATOM     28  CA  ALA    15      -4.585  -1.589  -4.773          0.014
+ATOM     29  CB  ALA    15      -4.514  -1.359  -4.034          0.031
+ATOM     30  CA  ALA    16      -2.908  -3.895  -7.295          0.002
+ATOM     31  CB  ALA    16      -2.894  -4.505  -7.797          0.024
+ATOM     32  CA  ALA    17      -4.446  -2.419 -10.391          0.066
+ATOM     33  CB  ALA    17      -4.655  -1.723 -10.570          0.035
+ATOM     34  CA  GLY    18      -1.127  -3.204 -11.908          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1262.95                                       ENERGY    -2.14657E+01
+ATOM      1  CA  GLY     1     -19.977   1.434   5.490          0.031
+ATOM      2  CA  ALA     2     -16.830   2.053   3.489          0.018
+ATOM      3  CB  ALA     2     -16.623   2.722   3.858          0.065
+ATOM      4  CA  ALA     3     -15.047  -0.611   5.407          0.031
+ATOM      5  CB  ALA     3     -15.494  -0.912   5.880          0.068
+ATOM      6  CA  ALA     4     -14.065  -2.115   1.883          0.035
+ATOM      7  CB  ALA     4     -14.188  -2.370   1.251          0.111
+ATOM      8  CA  CYS     5     -12.347   1.129   0.927          0.081
+ATOM      9  CB  CYS     5     -13.355   1.794   0.800          0.066
+ATOM     10  CA  ALA     6      -9.993   0.851   3.880          0.012
+ATOM     11  CB  ALA     6     -10.224   0.880   4.573          0.011
+ATOM     12  CA  ALA     7      -9.160  -2.756   2.832          0.042
+ATOM     13  CB  ALA     7      -9.703  -3.049   3.245          0.037
+ATOM     14  CA  ALA     8      -8.541  -1.446  -0.714          0.005
+ATOM     15  CB  ALA     8      -8.870  -0.906  -1.140          0.145
+ATOM     16  CA  ALA     9      -5.778   0.845   0.667          0.054
+ATOM     17  CB  ALA     9      -5.620   1.594   0.743          0.016
+ATOM     18  CA  ALA    10      -4.481  -2.025   2.731          0.014
+ATOM     19  CB  ALA    10      -4.864  -2.388   3.249          0.009
+ATOM     20  CA  ALA    11      -4.232  -3.946  -0.475          0.001
+ATOM     21  CB  ALA    11      -3.606  -4.092  -0.032          0.111
+ATOM     22  CA  ALA    12      -7.033  -6.299  -1.675          0.027
+ATOM     23  CB  ALA    12      -7.520  -6.105  -1.143          0.105
+ATOM     24  CA  ALA    13      -7.144  -6.871  -5.447          0.019
+ATOM     25  CB  ALA    13      -7.338  -7.528  -5.672          0.035
+ATOM     26  CA  CYS    14      -8.382  -3.362  -6.160          0.060
+ATOM     27  CB  CYS    14      -9.219  -3.009  -5.344          0.018
+ATOM     28  CA  ALA    15      -5.219  -1.830  -4.675          0.109
+ATOM     29  CB  ALA    15      -4.976  -1.820  -3.893          0.231
+ATOM     30  CA  ALA    16      -3.116  -4.144  -6.849          0.006
+ATOM     31  CB  ALA    16      -2.910  -4.772  -6.616          0.060
+ATOM     32  CA  ALA    17      -4.535  -2.301  -9.985          0.013
+ATOM     33  CB  ALA    17      -4.853  -1.657  -9.854          0.000
+ATOM     34  CA  GLY    18      -1.758  -1.062 -12.346          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1267.95                                       ENERGY    -1.67320E+01
+ATOM      1  CA  GLY     1     -19.067   2.281   6.840          0.038
+ATOM      2  CA  ALA     2     -16.958   2.111   3.708          0.031
+ATOM      3  CB  ALA     2     -16.806   2.681   3.223          0.016
+ATOM      4  CA  ALA     3     -14.541  -0.483   5.076          0.042
+ATOM      5  CB  ALA     3     -14.443  -0.859   5.714          0.077
+ATOM      6  CA  ALA     4     -14.215  -2.186   1.617          0.005
+ATOM      7  CB  ALA     4     -14.858  -2.380   2.135          0.100
+ATOM      8  CA  CYS     5     -12.259   0.709   0.377          0.066
+ATOM      9  CB  CYS     5     -12.968   1.649   0.030          0.024
+ATOM     10  CA  ALA     6     -10.292   0.669   3.681          0.053
+ATOM     11  CB  ALA     6     -10.589   0.574   4.283          0.041
+ATOM     12  CA  ALA     7      -9.076  -2.826   2.586          0.046
+ATOM     13  CB  ALA     7      -9.227  -3.555   2.690          0.167
+ATOM     14  CA  ALA     8      -8.331  -1.278  -0.769          0.004
+ATOM     15  CB  ALA     8      -8.473  -0.902  -1.346          0.075
+ATOM     16  CA  ALA     9      -5.991   1.089   1.036          0.020
+ATOM     17  CB  ALA     9      -6.101   1.507   1.622          0.023
+ATOM     18  CA  ALA    10      -4.239  -1.832   2.862          0.022
+ATOM     19  CB  ALA    10      -4.675  -2.370   3.313          0.037
+ATOM     20  CA  ALA    11      -3.562  -3.797  -0.324          0.013
+ATOM     21  CB  ALA    11      -3.414  -4.493  -0.550          0.033
+ATOM     22  CA  ALA    12      -6.612  -5.707  -1.552          0.032
+ATOM     23  CB  ALA    12      -7.401  -5.634  -1.520          0.035
+ATOM     24  CA  ALA    13      -7.045  -6.988  -5.161          0.008
+ATOM     25  CB  ALA    13      -7.260  -7.680  -5.234          0.093
+ATOM     26  CA  CYS    14      -8.718  -3.650  -6.021          0.016
+ATOM     27  CB  CYS    14      -9.762  -3.666  -5.369          0.047
+ATOM     28  CA  ALA    15      -5.758  -1.830  -4.595          0.021
+ATOM     29  CB  ALA    15      -5.310  -2.059  -4.164          0.105
+ATOM     30  CA  ALA    16      -3.533  -4.167  -6.681          0.023
+ATOM     31  CB  ALA    16      -3.824  -4.904  -6.670          0.035
+ATOM     32  CA  ALA    17      -4.178  -2.263  -9.914          0.015
+ATOM     33  CB  ALA    17      -4.939  -2.270  -9.674          0.041
+ATOM     34  CA  GLY    18      -2.713   0.472 -11.989          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1272.95                                       ENERGY    -1.10218E+01
+ATOM      1  CA  GLY     1     -17.458   3.473   7.282          0.051
+ATOM      2  CA  ALA     2     -16.880   1.775   3.975          0.009
+ATOM      3  CB  ALA     2     -16.570   1.583   3.287          0.128
+ATOM      4  CA  ALA     3     -14.320  -0.736   5.190          0.014
+ATOM      5  CB  ALA     3     -14.380  -0.896   5.943          0.032
+ATOM      6  CA  ALA     4     -14.787  -1.775   1.527          0.044
+ATOM      7  CB  ALA     4     -15.074  -2.175   0.891          0.046
+ATOM      8  CA  CYS     5     -12.371   0.792   0.310          0.004
+ATOM      9  CB  CYS     5     -13.098   1.800  -0.017          0.015
+ATOM     10  CA  ALA     6     -10.113   0.690   3.416          0.014
+ATOM     11  CB  ALA     6     -10.439   0.835   4.118          0.036
+ATOM     12  CA  ALA     7      -8.977  -2.852   2.644          0.019
+ATOM     13  CB  ALA     7      -9.265  -3.476   2.424          0.042
+ATOM     14  CA  ALA     8      -8.101  -1.367  -0.638          0.037
+ATOM     15  CB  ALA     8      -8.603  -1.712  -1.189          0.091
+ATOM     16  CA  ALA     9      -5.730   0.977   1.056          0.020
+ATOM     17  CB  ALA     9      -6.157   1.274   1.635          0.022
+ATOM     18  CA  ALA    10      -4.418  -1.887   3.083          0.015
+ATOM     19  CB  ALA    10      -4.652  -2.400   3.520          0.012
+ATOM     20  CA  ALA    11      -3.641  -3.734  -0.124          0.050
+ATOM     21  CB  ALA    11      -2.921  -3.471  -0.178          0.022
+ATOM     22  CA  ALA    12      -6.375  -5.958  -1.370          0.010
+ATOM     23  CB  ALA    12      -6.762  -5.567  -1.818          0.060
+ATOM     24  CA  ALA    13      -6.811  -7.340  -4.908          0.031
+ATOM     25  CB  ALA    13      -7.200  -7.932  -4.956          0.120
+ATOM     26  CA  CYS    14      -8.790  -4.213  -5.883          0.032
+ATOM     27  CB  CYS    14      -9.792  -3.958  -5.232          0.008
+ATOM     28  CA  ALA    15      -6.063  -1.606  -5.321          0.053
+ATOM     29  CB  ALA    15      -6.339  -1.275  -4.687          0.079
+ATOM     30  CA  ALA    16      -3.683  -3.913  -7.171          0.038
+ATOM     31  CB  ALA    16      -3.681  -4.468  -6.859          0.052
+ATOM     32  CA  ALA    17      -4.868  -2.499 -10.565          0.082
+ATOM     33  CB  ALA    17      -5.566  -2.489 -10.414          0.074
+ATOM     34  CA  GLY    18      -3.076   0.850 -10.067          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1277.95                                       ENERGY    -1.22240E+01
+ATOM      1  CA  GLY     1     -16.828   4.550   6.723          0.039
+ATOM      2  CA  ALA     2     -16.205   1.737   4.252          0.065
+ATOM      3  CB  ALA     2     -16.529   2.221   3.876          0.085
+ATOM      4  CA  ALA     3     -14.149  -1.414   5.079          0.028
+ATOM      5  CB  ALA     3     -14.462  -2.001   5.361          0.127
+ATOM      6  CA  ALA     4     -14.023  -2.181   1.403          0.087
+ATOM      7  CB  ALA     4     -14.752  -2.137   1.402          0.040
+ATOM      8  CA  CYS     5     -12.316   1.186   0.688          0.016
+ATOM      9  CB  CYS     5     -13.051   2.128   0.336          0.040
+ATOM     10  CA  ALA     6     -10.281   0.755   3.778          0.006
+ATOM     11  CB  ALA     6     -10.520   0.643   4.481          0.020
+ATOM     12  CA  ALA     7      -9.389  -2.714   2.482          0.006
+ATOM     13  CB  ALA     7     -10.104  -3.070   2.670          0.020
+ATOM     14  CA  ALA     8      -8.361  -1.359  -0.883          0.023
+ATOM     15  CB  ALA     8      -8.597  -1.009  -1.553          0.057
+ATOM     16  CA  ALA     9      -6.277   1.021   1.217          0.035
+ATOM     17  CB  ALA     9      -6.443   1.676   1.447          0.076
+ATOM     18  CA  ALA    10      -4.488  -1.745   3.088          0.035
+ATOM     19  CB  ALA    10      -4.744  -2.296   3.604          0.017
+ATOM     20  CA  ALA    11      -3.293  -3.711   0.095          0.006
+ATOM     21  CB  ALA    11      -2.837  -4.183   0.051          0.052
+ATOM     22  CA  ALA    12      -5.955  -5.871  -1.585          0.031
+ATOM     23  CB  ALA    12      -6.381  -5.374  -1.242          0.123
+ATOM     24  CA  ALA    13      -6.241  -7.202  -5.201          0.011
+ATOM     25  CB  ALA    13      -5.827  -7.807  -5.113          0.045
+ATOM     26  CA  CYS    14      -8.945  -4.638  -6.282          0.002
+ATOM     27  CB  CYS    14      -9.518  -4.511  -5.172          0.041
+ATOM     28  CA  ALA    15      -6.663  -1.690  -5.594          0.012
+ATOM     29  CB  ALA    15      -6.264  -1.632  -4.920          0.049
+ATOM     30  CA  ALA    16      -4.253  -3.971  -7.391          0.031
+ATOM     31  CB  ALA    16      -3.998  -4.658  -7.201          0.073
+ATOM     32  CA  ALA    17      -5.434  -2.441 -10.640          0.046
+ATOM     33  CB  ALA    17      -5.801  -2.417 -11.218          0.023
+ATOM     34  CA  GLY    18      -4.103   0.768  -9.272          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1282.95                                       ENERGY    -7.51302E+00
+ATOM      1  CA  GLY     1     -16.208   5.192   6.506          0.030
+ATOM      2  CA  ALA     2     -16.204   1.735   4.757          0.081
+ATOM      3  CB  ALA     2     -16.364   1.478   4.065          0.077
+ATOM      4  CA  ALA     3     -14.140  -1.336   5.122          0.049
+ATOM      5  CB  ALA     3     -13.764  -2.034   4.980          0.025
+ATOM      6  CA  ALA     4     -14.052  -1.912   1.370          0.026
+ATOM      7  CB  ALA     4     -14.324  -2.099   0.677          0.076
+ATOM      8  CA  CYS     5     -12.213   1.324   0.848          0.055
+ATOM      9  CB  CYS     5     -12.596   2.488   0.894          0.023
+ATOM     10  CA  ALA     6     -10.280   0.563   4.058          0.013
+ATOM     11  CB  ALA     6     -10.619   0.563   4.694          0.007
+ATOM     12  CA  ALA     7      -9.534  -2.949   2.751          0.027
+ATOM     13  CB  ALA     7     -10.010  -3.393   2.480          0.011
+ATOM     14  CA  ALA     8      -8.723  -1.303  -0.638          0.005
+ATOM     15  CB  ALA     8      -9.140  -0.843  -1.005          0.110
+ATOM     16  CA  ALA     9      -6.075   1.053   0.785          0.006
+ATOM     17  CB  ALA     9      -6.341   1.697   1.098          0.010
+ATOM     18  CA  ALA    10      -5.095  -1.806   3.047          0.011
+ATOM     19  CB  ALA    10      -5.630  -1.955   3.414          0.073
+ATOM     20  CA  ALA    11      -3.508  -3.521   0.132          0.017
+ATOM     21  CB  ALA    11      -3.001  -3.956   0.138          0.035
+ATOM     22  CA  ALA    12      -6.085  -5.508  -1.950          0.016
+ATOM     23  CB  ALA    12      -6.364  -4.853  -1.738          0.017
+ATOM     24  CA  ALA    13      -5.678  -7.762  -4.942          0.004
+ATOM     25  CB  ALA    13      -5.757  -8.333  -5.537          0.031
+ATOM     26  CA  CYS    14      -8.488  -5.196  -5.527          0.003
+ATOM     27  CB  CYS    14      -9.346  -4.954  -4.672          0.025
+ATOM     28  CA  ALA    15      -6.508  -2.055  -5.737          0.008
+ATOM     29  CB  ALA    15      -6.293  -1.939  -5.079          0.030
+ATOM     30  CA  ALA    16      -3.931  -3.635  -7.876          0.039
+ATOM     31  CB  ALA    16      -4.077  -4.386  -7.932          0.072
+ATOM     32  CA  ALA    17      -5.643  -2.294 -11.041          0.050
+ATOM     33  CB  ALA    17      -6.137  -2.805 -10.702          0.085
+ATOM     34  CA  GLY    18      -5.461   1.344  -9.954          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1287.90                                       ENERGY    -2.22711E+01
+ATOM      1  CA  GLY     1     -15.188   4.698   5.738          0.016
+ATOM      2  CA  ALA     2     -16.681   1.226   5.111          0.044
+ATOM      3  CB  ALA     2     -16.996   1.267   4.511          0.203
+ATOM      4  CA  ALA     3     -14.110  -1.560   4.908          0.015
+ATOM      5  CB  ALA     3     -14.370  -1.946   5.559          0.008
+ATOM      6  CA  ALA     4     -14.204  -1.253   1.101          0.009
+ATOM      7  CB  ALA     4     -14.906  -0.945   1.187          0.027
+ATOM      8  CA  CYS     5     -11.827   1.721   1.162          0.015
+ATOM      9  CB  CYS     5     -12.296   2.878   1.286          0.073
+ATOM     10  CA  ALA     6      -9.609   0.356   3.938          0.023
+ATOM     11  CB  ALA     6      -9.824   0.286   4.637          0.021
+ATOM     12  CA  ALA     7      -9.642  -3.063   2.377          0.030
+ATOM     13  CB  ALA     7     -10.041  -3.588   2.635          0.111
+ATOM     14  CA  ALA     8      -8.516  -1.555  -0.927          0.010
+ATOM     15  CB  ALA     8      -9.150  -1.302  -1.231          0.007
+ATOM     16  CA  ALA     9      -6.441   1.137   0.897          0.043
+ATOM     17  CB  ALA     9      -6.879   1.607   1.209          0.110
+ATOM     18  CA  ALA    10      -4.934  -1.585   3.108          0.004
+ATOM     19  CB  ALA    10      -5.519  -1.703   3.513          0.164
+ATOM     20  CA  ALA    11      -3.248  -3.260   0.159          0.028
+ATOM     21  CB  ALA    11      -2.764  -3.696   0.383          0.098
+ATOM     22  CA  ALA    12      -5.603  -5.774  -1.566          0.040
+ATOM     23  CB  ALA    12      -6.212  -5.861  -1.161          0.020
+ATOM     24  CA  ALA    13      -5.600  -7.263  -5.050          0.034
+ATOM     25  CB  ALA    13      -5.356  -7.809  -4.568          0.028
+ATOM     26  CA  CYS    14      -8.567  -5.139  -6.292          0.004
+ATOM     27  CB  CYS    14      -9.221  -5.000  -5.267          0.012
+ATOM     28  CA  ALA    15      -6.568  -1.921  -5.715          0.050
+ATOM     29  CB  ALA    15      -6.101  -2.312  -5.145          0.031
+ATOM     30  CA  ALA    16      -4.009  -3.392  -8.102          0.023
+ATOM     31  CB  ALA    16      -3.658  -4.055  -8.092          0.073
+ATOM     32  CA  ALA    17      -6.574  -2.938 -10.919          0.064
+ATOM     33  CB  ALA    17      -7.161  -2.685 -10.598          0.226
+ATOM     34  CA  GLY    18      -6.334   0.764 -10.267          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1292.88                                       ENERGY    -3.83071E+00
+ATOM      1  CA  GLY     1     -15.113   4.957   5.292          0.027
+ATOM      2  CA  ALA     2     -16.576   1.568   5.572          0.012
+ATOM      3  CB  ALA     2     -16.870   1.211   4.882          0.075
+ATOM      4  CA  ALA     3     -14.430  -1.495   5.115          0.039
+ATOM      5  CB  ALA     3     -14.194  -2.191   5.337          0.056
+ATOM      6  CA  ALA     4     -14.212  -1.105   1.248          0.002
+ATOM      7  CB  ALA     4     -14.498  -1.256   0.613          0.006
+ATOM      8  CA  CYS     5     -11.757   1.743   1.453          0.003
+ATOM      9  CB  CYS     5     -12.028   2.953   1.616          0.013
+ATOM     10  CA  ALA     6      -9.880  -0.063   4.161          0.055
+ATOM     11  CB  ALA     6     -10.139   0.152   4.782          0.020
+ATOM     12  CA  ALA     7      -9.582  -3.326   2.312          0.019
+ATOM     13  CB  ALA     7      -9.968  -3.420   1.709          0.001
+ATOM     14  CA  ALA     8      -8.512  -1.478  -0.868          0.026
+ATOM     15  CB  ALA     8      -8.860  -1.399  -1.485          0.076
+ATOM     16  CA  ALA     9      -6.621   1.167   1.071          0.016
+ATOM     17  CB  ALA     9      -7.110   1.699   1.291          0.182
+ATOM     18  CA  ALA    10      -4.469  -1.374   3.000          0.016
+ATOM     19  CB  ALA    10      -4.995  -1.858   3.169          0.032
+ATOM     20  CA  ALA    11      -3.552  -3.363  -0.073          0.026
+ATOM     21  CB  ALA    11      -2.877  -3.449  -0.362          0.129
+ATOM     22  CA  ALA    12      -5.917  -6.175  -1.204          0.007
+ATOM     23  CB  ALA    12      -6.160  -5.599  -1.409          0.004
+ATOM     24  CA  ALA    13      -5.580  -7.345  -4.805          0.006
+ATOM     25  CB  ALA    13      -5.292  -7.709  -5.492          0.009
+ATOM     26  CA  CYS    14      -8.303  -4.905  -5.952          0.039
+ATOM     27  CB  CYS    14      -8.834  -4.805  -4.820          0.045
+ATOM     28  CA  ALA    15      -5.837  -2.118  -5.193          0.004
+ATOM     29  CB  ALA    15      -5.739  -1.815  -4.555          0.048
+ATOM     30  CA  ALA    16      -4.056  -2.910  -8.494          0.011
+ATOM     31  CB  ALA    16      -3.623  -3.525  -8.218          0.067
+ATOM     32  CA  ALA    17      -7.297  -3.185 -10.361          0.064
+ATOM     33  CB  ALA    17      -7.580  -3.802 -10.727          0.060
+ATOM     34  CA  GLY    18      -7.767   0.352 -11.891          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1297.87                                       ENERGY    -1.57488E+01
+ATOM      1  CA  GLY     1     -15.498   5.480   5.648          0.029
+ATOM      2  CA  ALA     2     -15.923   1.767   4.847          0.008
+ATOM      3  CB  ALA     2     -16.318   1.650   4.317          0.153
+ATOM      4  CA  ALA     3     -14.125  -1.695   5.002          0.009
+ATOM      5  CB  ALA     3     -14.472  -2.032   5.677          0.105
+ATOM      6  CA  ALA     4     -13.844  -1.683   1.253          0.010
+ATOM      7  CB  ALA     4     -14.415  -1.426   1.500          0.063
+ATOM      8  CA  CYS     5     -11.945   1.554   1.538          0.006
+ATOM      9  CB  CYS     5     -12.497   2.672   1.808          0.036
+ATOM     10  CA  ALA     6      -9.796  -0.211   4.139          0.010
+ATOM     11  CB  ALA     6     -10.214  -0.568   4.701          0.006
+ATOM     12  CA  ALA     7      -9.214  -3.074   1.734          0.023
+ATOM     13  CB  ALA     7      -9.502  -3.695   1.879          0.043
+ATOM     14  CA  ALA     8      -8.436  -0.627  -1.010          0.042
+ATOM     15  CB  ALA     8      -8.899  -0.395  -1.539          0.331
+ATOM     16  CA  ALA     9      -6.295   1.172   1.568          0.004
+ATOM     17  CB  ALA     9      -6.074   1.518   2.113          0.005
+ATOM     18  CA  ALA    10      -4.802  -2.055   2.909          0.004
+ATOM     19  CB  ALA    10      -5.209  -2.561   3.287          0.122
+ATOM     20  CA  ALA    11      -4.092  -2.607  -0.734          0.025
+ATOM     21  CB  ALA    11      -3.422  -2.874  -1.020          0.149
+ATOM     22  CA  ALA    12      -5.316  -6.199  -1.147          0.086
+ATOM     23  CB  ALA    12      -5.668  -6.874  -1.002          0.115
+ATOM     24  CA  ALA    13      -5.355  -7.101  -4.850          0.013
+ATOM     25  CB  ALA    13      -5.530  -7.752  -4.739          0.044
+ATOM     26  CA  CYS    14      -8.337  -4.836  -5.389          0.065
+ATOM     27  CB  CYS    14      -9.001  -4.443  -4.444          0.039
+ATOM     28  CA  ALA    15      -6.078  -1.749  -5.549          0.034
+ATOM     29  CB  ALA    15      -5.624  -1.571  -5.034          0.131
+ATOM     30  CA  ALA    16      -4.283  -3.024  -8.690          0.067
+ATOM     31  CB  ALA    16      -3.463  -3.184  -8.465          0.149
+ATOM     32  CA  ALA    17      -7.548  -3.471 -10.504          0.011
+ATOM     33  CB  ALA    17      -7.960  -3.992 -10.216          0.063
+ATOM     34  CA  GLY    18      -8.664  -0.315 -12.448          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1302.87                                       ENERGY    -1.83108E+01
+ATOM      1  CA  GLY     1     -14.625   5.265   5.722          0.075
+ATOM      2  CA  ALA     2     -16.242   1.920   4.974          0.008
+ATOM      3  CB  ALA     2     -16.602   1.620   4.348          0.082
+ATOM      4  CA  ALA     3     -14.483  -1.494   5.313          0.023
+ATOM      5  CB  ALA     3     -14.626  -2.188   5.525          0.045
+ATOM      6  CA  ALA     4     -14.049  -1.899   1.493          0.002
+ATOM      7  CB  ALA     4     -14.272  -2.017   0.783          0.017
+ATOM      8  CA  CYS     5     -11.981   1.345   1.401          0.010
+ATOM      9  CB  CYS     5     -12.626   2.314   1.699          0.008
+ATOM     10  CA  ALA     6     -10.087  -0.337   4.123          0.012
+ATOM     11  CB  ALA     6     -10.065  -0.314   4.847          0.118
+ATOM     12  CA  ALA     7      -9.249  -2.897   1.363          0.027
+ATOM     13  CB  ALA     7      -9.679  -3.482   1.225          0.041
+ATOM     14  CA  ALA     8      -7.925   0.039  -0.540          0.040
+ATOM     15  CB  ALA     8      -8.032   0.723  -0.786          0.012
+ATOM     16  CA  ALA     9      -5.780   1.213   2.324          0.016
+ATOM     17  CB  ALA     9      -6.361   1.543   2.580          0.053
+ATOM     18  CA  ALA    10      -4.300  -2.288   2.265          0.011
+ATOM     19  CB  ALA    10      -4.732  -2.752   2.609          0.175
+ATOM     20  CA  ALA    11      -3.997  -2.759  -1.507          0.006
+ATOM     21  CB  ALA    11      -3.320  -2.517  -1.330          0.028
+ATOM     22  CA  ALA    12      -5.080  -6.400  -1.108          0.035
+ATOM     23  CB  ALA    12      -5.382  -6.640  -0.459          0.179
+ATOM     24  CA  ALA    13      -5.114  -6.937  -4.906          0.063
+ATOM     25  CB  ALA    13      -5.079  -7.488  -5.419          0.043
+ATOM     26  CA  CYS    14      -8.282  -4.775  -4.861          0.038
+ATOM     27  CB  CYS    14      -8.698  -3.963  -4.016          0.007
+ATOM     28  CA  ALA    15      -6.524  -1.537  -5.781          0.061
+ATOM     29  CB  ALA    15      -6.043  -1.069  -5.287          0.047
+ATOM     30  CA  ALA    16      -4.799  -3.546  -8.515          0.080
+ATOM     31  CB  ALA    16      -4.615  -4.237  -8.675          0.110
+ATOM     32  CA  ALA    17      -8.027  -3.837 -10.589          0.004
+ATOM     33  CB  ALA    17      -8.419  -4.019  -9.993          0.138
+ATOM     34  CA  GLY    18      -8.825  -0.604 -12.277          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1307.87                                       ENERGY    -2.47514E+01
+ATOM      1  CA  GLY     1     -14.368   4.483   6.502          0.030
+ATOM      2  CA  ALA     2     -16.213   1.574   4.960          0.035
+ATOM      3  CB  ALA     2     -16.376   1.572   4.175          0.018
+ATOM      4  CA  ALA     3     -14.637  -1.882   4.806          0.082
+ATOM      5  CB  ALA     3     -15.063  -2.037   5.479          0.082
+ATOM      6  CA  ALA     4     -14.291  -1.563   1.040          0.042
+ATOM      7  CB  ALA     4     -14.931  -1.496   0.669          0.026
+ATOM      8  CA  CYS     5     -12.150   1.578   1.401          0.003
+ATOM      9  CB  CYS     5     -12.826   2.520   1.708          0.044
+ATOM     10  CA  ALA     6     -10.307  -0.100   4.324          0.005
+ATOM     11  CB  ALA     6     -10.846  -0.302   4.885          0.064
+ATOM     12  CA  ALA     7      -8.871  -2.715   1.968          0.017
+ATOM     13  CB  ALA     7      -8.891  -3.271   1.566          0.040
+ATOM     14  CA  ALA     8      -7.516  -0.255  -0.572          0.028
+ATOM     15  CB  ALA     8      -8.065   0.012  -1.063          0.040
+ATOM     16  CA  ALA     9      -5.349   1.104   2.262          0.096
+ATOM     17  CB  ALA     9      -5.269   1.202   2.953          0.123
+ATOM     18  CA  ALA    10      -3.631  -2.243   2.599          0.105
+ATOM     19  CB  ALA    10      -3.657  -3.001   2.431          0.023
+ATOM     20  CA  ALA    11      -3.040  -2.226  -1.113          0.069
+ATOM     21  CB  ALA    11      -3.439  -2.301  -1.762          0.051
+ATOM     22  CA  ALA    12      -4.751  -5.597  -1.296          0.020
+ATOM     23  CB  ALA    12      -5.423  -5.594  -0.928          0.047
+ATOM     24  CA  ALA    13      -5.507  -6.829  -4.817          0.023
+ATOM     25  CB  ALA    13      -5.264  -7.464  -5.190          0.291
+ATOM     26  CA  CYS    14      -8.625  -4.610  -5.068          0.016
+ATOM     27  CB  CYS    14      -8.993  -4.114  -3.955          0.002
+ATOM     28  CA  ALA    15      -6.453  -1.725  -6.149          0.028
+ATOM     29  CB  ALA    15      -5.916  -1.351  -5.761          0.118
+ATOM     30  CA  ALA    16      -5.362  -3.778  -9.133          0.034
+ATOM     31  CB  ALA    16      -4.797  -4.162  -8.716          0.064
+ATOM     32  CA  ALA    17      -8.968  -4.392 -10.201          0.040
+ATOM     33  CB  ALA    17      -9.532  -4.114  -9.802          0.125
+ATOM     34  CA  GLY    18      -8.369  -0.974 -11.827          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1312.86                                       ENERGY    -1.74742E+01
+ATOM      1  CA  GLY     1     -14.173   3.917   6.863          0.022
+ATOM      2  CA  ALA     2     -16.257   1.519   4.899          0.049
+ATOM      3  CB  ALA     2     -16.465   1.668   4.246          0.050
+ATOM      4  CA  ALA     3     -14.657  -1.932   4.500          0.016
+ATOM      5  CB  ALA     3     -14.679  -2.696   4.525          0.102
+ATOM      6  CA  ALA     4     -14.363  -1.538   0.667          0.037
+ATOM      7  CB  ALA     4     -15.050  -1.401   0.208          0.063
+ATOM      8  CA  CYS     5     -11.724   1.184   1.246          0.054
+ATOM      9  CB  CYS     5     -12.345   2.228   1.429          0.026
+ATOM     10  CA  ALA     6     -10.234  -0.069   4.533          0.019
+ATOM     11  CB  ALA     6     -10.625  -0.268   5.151          0.063
+ATOM     12  CA  ALA     7      -8.520  -2.938   2.843          0.010
+ATOM     13  CB  ALA     7      -9.067  -3.466   2.780          0.073
+ATOM     14  CA  ALA     8      -7.692  -0.542   0.056          0.012
+ATOM     15  CB  ALA     8      -7.810   0.156   0.020          0.004
+ATOM     16  CA  ALA     9      -5.239   1.175   2.399          0.023
+ATOM     17  CB  ALA     9      -4.987   1.566   3.054          0.061
+ATOM     18  CA  ALA    10      -2.923  -1.829   2.394          0.030
+ATOM     19  CB  ALA    10      -3.341  -1.959   3.017          0.047
+ATOM     20  CA  ALA    11      -2.822  -1.789  -1.452          0.012
+ATOM     21  CB  ALA    11      -2.117  -2.038  -1.451          0.114
+ATOM     22  CA  ALA    12      -4.877  -5.022  -1.728          0.063
+ATOM     23  CB  ALA    12      -5.335  -4.773  -1.243          0.087
+ATOM     24  CA  ALA    13      -6.208  -6.924  -4.711          0.044
+ATOM     25  CB  ALA    13      -6.565  -7.616  -4.795          0.013
+ATOM     26  CA  CYS    14      -8.991  -4.291  -4.929          0.052
+ATOM     27  CB  CYS    14      -9.458  -3.671  -3.934          0.108
+ATOM     28  CA  ALA    15      -6.574  -1.815  -6.539          0.043
+ATOM     29  CB  ALA    15      -6.115  -1.863  -5.897          0.221
+ATOM     30  CA  ALA    16      -5.296  -4.144  -9.291          0.027
+ATOM     31  CB  ALA    16      -5.463  -4.773  -9.627          0.028
+ATOM     32  CA  ALA    17      -8.915  -4.541 -10.521          0.015
+ATOM     33  CB  ALA    17      -9.384  -4.625 -10.006          0.003
+ATOM     34  CA  GLY    18      -9.417  -1.025 -11.806          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1317.86                                       ENERGY    -2.42214E+01
+ATOM      1  CA  GLY     1     -14.186   3.980   6.722          0.063
+ATOM      2  CA  ALA     2     -15.789   1.249   4.553          0.092
+ATOM      3  CB  ALA     2     -15.993   1.570   3.857          0.074
+ATOM      4  CA  ALA     3     -14.619  -2.423   4.228          0.016
+ATOM      5  CB  ALA     3     -14.748  -3.083   4.466          0.175
+ATOM      6  CA  ALA     4     -13.514  -1.935   0.653          0.007
+ATOM      7  CB  ALA     4     -13.870  -1.989  -0.037          0.120
+ATOM      8  CA  CYS     5     -11.595   1.249   1.507          0.067
+ATOM      9  CB  CYS     5     -12.162   2.256   1.786          0.014
+ATOM     10  CA  ALA     6     -10.290  -0.189   4.714          0.026
+ATOM     11  CB  ALA     6     -10.861  -0.302   5.143          0.075
+ATOM     12  CA  ALA     7      -8.469  -2.932   2.838          0.023
+ATOM     13  CB  ALA     7      -8.746  -3.576   3.030          0.099
+ATOM     14  CA  ALA     8      -7.248  -0.513   0.162          0.012
+ATOM     15  CB  ALA     8      -7.562  -0.279  -0.427          0.086
+ATOM     16  CA  ALA     9      -5.164   1.531   2.593          0.006
+ATOM     17  CB  ALA     9      -5.907   1.566   2.717          0.045
+ATOM     18  CA  ALA    10      -2.745  -1.313   2.733          0.008
+ATOM     19  CB  ALA    10      -2.513  -2.024   2.552          0.021
+ATOM     20  CA  ALA    11      -2.253  -1.975  -0.949          0.044
+ATOM     21  CB  ALA    11      -1.790  -2.078  -1.483          0.093
+ATOM     22  CA  ALA    12      -5.155  -4.376  -1.654          0.024
+ATOM     23  CB  ALA    12      -5.868  -4.037  -1.560          0.040
+ATOM     24  CA  ALA    13      -6.814  -6.588  -4.316          0.030
+ATOM     25  CB  ALA    13      -7.314  -7.042  -4.105          0.333
+ATOM     26  CA  CYS    14      -9.344  -3.901  -5.291          0.007
+ATOM     27  CB  CYS    14      -9.719  -3.478  -4.262          0.024
+ATOM     28  CA  ALA    15      -6.577  -1.795  -6.872          0.006
+ATOM     29  CB  ALA    15      -5.949  -1.795  -6.592          0.266
+ATOM     30  CA  ALA    16      -6.100  -4.736  -9.197          0.058
+ATOM     31  CB  ALA    16      -5.382  -4.787  -9.014          0.078
+ATOM     32  CA  ALA    17      -9.725  -4.669 -10.309          0.007
+ATOM     33  CB  ALA    17     -10.387  -4.919 -10.286          0.099
+ATOM     34  CA  GLY    18      -9.232  -1.133 -11.598          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1322.86                                       ENERGY    -1.86547E+01
+ATOM      1  CA  GLY     1     -14.155   3.609   5.951          0.033
+ATOM      2  CA  ALA     2     -15.749   0.839   3.951          0.023
+ATOM      3  CB  ALA     2     -15.921   0.664   3.344          0.008
+ATOM      4  CA  ALA     3     -13.934  -2.483   4.393          0.022
+ATOM      5  CB  ALA     3     -14.624  -2.754   4.617          0.227
+ATOM      6  CA  ALA     4     -12.415  -2.246   0.914          0.054
+ATOM      7  CB  ALA     4     -13.028  -2.410   0.423          0.010
+ATOM      8  CA  CYS     5     -11.302   1.293   1.793          0.014
+ATOM      9  CB  CYS     5     -12.040   2.241   1.739          0.008
+ATOM     10  CA  ALA     6      -9.763  -0.378   4.845          0.078
+ATOM     11  CB  ALA     6     -10.013  -0.269   5.528          0.102
+ATOM     12  CA  ALA     7      -8.493  -3.015   2.398          0.019
+ATOM     13  CB  ALA     7      -9.083  -3.429   2.220          0.050
+ATOM     14  CA  ALA     8      -7.391  -0.352  -0.085          0.024
+ATOM     15  CB  ALA     8      -7.370   0.082  -0.654          0.104
+ATOM     16  CA  ALA     9      -5.608   1.523   2.720          0.005
+ATOM     17  CB  ALA     9      -5.280   1.356   3.408          0.015
+ATOM     18  CA  ALA    10      -2.620  -0.891   2.674          0.024
+ATOM     19  CB  ALA    10      -2.557  -1.127   3.394          0.040
+ATOM     20  CA  ALA    11      -2.838  -1.911  -0.994          0.061
+ATOM     21  CB  ALA    11      -2.124  -2.333  -1.028          0.005
+ATOM     22  CA  ALA    12      -5.396  -4.659  -1.751          0.003
+ATOM     23  CB  ALA    12      -5.921  -4.204  -1.813          0.129
+ATOM     24  CA  ALA    13      -7.347  -6.394  -4.521          0.054
+ATOM     25  CB  ALA    13      -7.090  -7.119  -4.332          0.202
+ATOM     26  CA  CYS    14      -9.459  -3.169  -4.924          0.059
+ATOM     27  CB  CYS    14      -9.837  -2.495  -3.957          0.081
+ATOM     28  CA  ALA    15      -6.869  -1.721  -7.216          0.012
+ATOM     29  CB  ALA    15      -6.465  -1.300  -6.719          0.013
+ATOM     30  CA  ALA    16      -6.435  -5.044  -8.995          0.002
+ATOM     31  CB  ALA    16      -6.534  -5.748  -9.053          0.128
+ATOM     32  CA  ALA    17      -9.951  -5.117 -10.390          0.021
+ATOM     33  CB  ALA    17     -10.325  -4.687  -9.857          0.050
+ATOM     34  CA  GLY    18      -9.506  -1.477 -11.514          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1327.85                                       ENERGY    -1.62434E+01
+ATOM      1  CA  GLY     1     -14.641   3.796   5.390          0.035
+ATOM      2  CA  ALA     2     -15.787   0.398   3.984          0.026
+ATOM      3  CB  ALA     2     -16.019   0.339   3.200          0.030
+ATOM      4  CA  ALA     3     -13.641  -2.632   4.540          0.019
+ATOM      5  CB  ALA     3     -13.130  -3.060   4.652          0.081
+ATOM      6  CA  ALA     4     -12.657  -2.352   0.857          0.019
+ATOM      7  CB  ALA     4     -13.357  -2.222   0.632          0.178
+ATOM      8  CA  CYS     5     -11.448   1.179   1.573          0.004
+ATOM      9  CB  CYS     5     -12.101   2.252   1.785          0.053
+ATOM     10  CA  ALA     6      -9.561  -0.373   4.506          0.023
+ATOM     11  CB  ALA     6      -9.575  -0.790   5.068          0.060
+ATOM     12  CA  ALA     7      -7.685  -2.695   2.197          0.007
+ATOM     13  CB  ALA     7      -7.877  -3.410   2.275          0.127
+ATOM     14  CA  ALA     8      -6.863   0.337   0.011          0.027
+ATOM     15  CB  ALA     8      -7.082   0.892  -0.451          0.027
+ATOM     16  CA  ALA     9      -5.133   1.819   3.011          0.015
+ATOM     17  CB  ALA     9      -5.770   1.939   2.958          0.184
+ATOM     18  CA  ALA    10      -2.579  -0.977   2.951          0.039
+ATOM     19  CB  ALA    10      -2.442  -1.475   3.509          0.047
+ATOM     20  CA  ALA    11      -3.211  -1.995  -0.709          0.014
+ATOM     21  CB  ALA    11      -2.762  -2.606  -0.955          0.025
+ATOM     22  CA  ALA    12      -5.629  -4.755  -1.607          0.063
+ATOM     23  CB  ALA    12      -5.897  -5.103  -0.982          0.059
+ATOM     24  CA  ALA    13      -7.429  -6.140  -4.542          0.012
+ATOM     25  CB  ALA    13      -7.923  -6.577  -4.830          0.150
+ATOM     26  CA  CYS    14      -9.571  -3.100  -4.849          0.015
+ATOM     27  CB  CYS    14      -9.274  -2.907  -3.643          0.087
+ATOM     28  CA  ALA    15      -7.231  -1.565  -7.320          0.035
+ATOM     29  CB  ALA    15      -6.543  -1.314  -7.235          0.056
+ATOM     30  CA  ALA    16      -6.921  -4.910  -9.278          0.018
+ATOM     31  CB  ALA    16      -6.831  -5.395  -8.751          0.013
+ATOM     32  CA  ALA    17     -10.646  -4.771  -9.993          0.033
+ATOM     33  CB  ALA    17     -11.199  -5.010  -9.531          0.121
+ATOM     34  CA  GLY    18      -9.283  -2.037 -12.242          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1332.85                                       ENERGY    -1.57468E+01
+ATOM      1  CA  GLY     1     -16.009   3.690   5.034          0.013
+ATOM      2  CA  ALA     2     -15.617  -0.068   4.674          0.044
+ATOM      3  CB  ALA     2     -16.157  -0.209   4.365          0.131
+ATOM      4  CA  ALA     3     -13.090  -2.851   4.545          0.012
+ATOM      5  CB  ALA     3     -13.252  -3.649   4.654          0.094
+ATOM      6  CA  ALA     4     -12.688  -2.301   0.812          0.007
+ATOM      7  CB  ALA     4     -13.071  -2.272   0.126          0.154
+ATOM      8  CA  CYS     5     -11.219   1.176   1.400          0.007
+ATOM      9  CB  CYS     5     -11.932   2.117   1.386          0.001
+ATOM     10  CA  ALA     6      -9.338   0.085   4.576          0.038
+ATOM     11  CB  ALA     6      -9.920   0.129   5.072          0.126
+ATOM     12  CA  ALA     7      -7.248  -2.415   2.656          0.079
+ATOM     13  CB  ALA     7      -7.512  -3.142   2.723          0.074
+ATOM     14  CA  ALA     8      -6.651   0.283   0.111          0.033
+ATOM     15  CB  ALA     8      -6.939   0.822  -0.303          0.015
+ATOM     16  CA  ALA     9      -4.557   2.089   2.750          0.070
+ATOM     17  CB  ALA     9      -4.260   2.523   3.254          0.143
+ATOM     18  CA  ALA    10      -2.410  -1.035   2.850          0.060
+ATOM     19  CB  ALA    10      -2.872  -1.378   3.276          0.053
+ATOM     20  CA  ALA    11      -3.282  -2.373  -0.636          0.026
+ATOM     21  CB  ALA    11      -2.602  -2.249  -0.855          0.048
+ATOM     22  CA  ALA    12      -5.659  -5.307  -1.341          0.031
+ATOM     23  CB  ALA    12      -6.327  -5.127  -0.941          0.079
+ATOM     24  CA  ALA    13      -7.487  -6.338  -4.559          0.022
+ATOM     25  CB  ALA    13      -7.718  -6.904  -4.131          0.027
+ATOM     26  CA  CYS    14      -9.451  -2.994  -4.577          0.018
+ATOM     27  CB  CYS    14      -9.571  -2.458  -3.502          0.005
+ATOM     28  CA  ALA    15      -7.247  -1.659  -7.296          0.038
+ATOM     29  CB  ALA    15      -6.632  -1.048  -7.220          0.036
+ATOM     30  CA  ALA    16      -7.200  -5.063  -9.182          0.020
+ATOM     31  CB  ALA    16      -6.652  -5.479  -8.882          0.043
+ATOM     32  CA  ALA    17     -10.781  -4.641 -10.491          0.107
+ATOM     33  CB  ALA    17     -11.540  -4.808 -10.564          0.016
+ATOM     34  CA  GLY    18     -10.957  -2.176 -13.421          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1337.84                                       ENERGY    -2.01342E+01
+ATOM      1  CA  GLY     1     -15.929   3.129   4.654          0.053
+ATOM      2  CA  ALA     2     -15.977  -0.678   4.596          0.018
+ATOM      3  CB  ALA     2     -16.212  -1.260   4.220          0.201
+ATOM      4  CA  ALA     3     -12.623  -2.433   4.904          0.031
+ATOM      5  CB  ALA     3     -12.780  -3.172   5.163          0.058
+ATOM      6  CA  ALA     4     -12.247  -2.253   1.133          0.006
+ATOM      7  CB  ALA     4     -12.522  -2.715   0.529          0.160
+ATOM      8  CA  CYS     5     -11.518   1.459   1.469          0.011
+ATOM      9  CB  CYS     5     -12.364   2.347   1.593          0.045
+ATOM     10  CA  ALA     6      -9.729   1.010   4.787          0.039
+ATOM     11  CB  ALA     6      -9.879   0.466   5.346          0.010
+ATOM     12  CA  ALA     7      -7.626  -1.812   3.175          0.013
+ATOM     13  CB  ALA     7      -8.107  -2.112   2.756          0.092
+ATOM     14  CA  ALA     8      -6.795   0.279   0.164          0.007
+ATOM     15  CB  ALA     8      -7.237   0.930   0.027          0.148
+ATOM     16  CA  ALA     9      -3.981   1.762   2.140          0.073
+ATOM     17  CB  ALA     9      -4.122   2.202   2.718          0.036
+ATOM     18  CA  ALA    10      -2.474  -1.691   2.737          0.100
+ATOM     19  CB  ALA    10      -2.376  -2.436   3.046          0.046
+ATOM     20  CA  ALA    11      -2.141  -2.827  -0.925          0.011
+ATOM     21  CB  ALA    11      -1.544  -3.045  -1.387          0.027
+ATOM     22  CA  ALA    12      -5.735  -4.196  -1.132          0.025
+ATOM     23  CB  ALA    12      -6.321  -3.912  -0.794          0.187
+ATOM     24  CA  ALA    13      -6.991  -5.929  -4.339          0.032
+ATOM     25  CB  ALA    13      -7.077  -6.649  -4.621          0.040
+ATOM     26  CA  CYS    14      -9.944  -3.629  -4.871          0.012
+ATOM     27  CB  CYS    14      -9.908  -3.027  -3.758          0.028
+ATOM     28  CA  ALA    15      -7.559  -1.856  -7.050          0.030
+ATOM     29  CB  ALA    15      -6.854  -1.871  -7.310          0.028
+ATOM     30  CA  ALA    16      -7.440  -5.035  -9.243          0.015
+ATOM     31  CB  ALA    16      -7.506  -5.679  -8.837          0.036
+ATOM     32  CA  ALA    17     -10.923  -4.242 -10.572          0.012
+ATOM     33  CB  ALA    17     -11.057  -3.679 -10.069          0.354
+ATOM     34  CA  GLY    18     -11.494  -2.568 -13.956          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1342.84                                       ENERGY    -1.02722E+01
+ATOM      1  CA  GLY     1     -17.142   2.338   5.521          0.022
+ATOM      2  CA  ALA     2     -16.160  -1.184   4.185          0.015
+ATOM      3  CB  ALA     2     -16.189  -1.054   3.507          0.016
+ATOM      4  CA  ALA     3     -12.542  -2.015   5.233          0.009
+ATOM      5  CB  ALA     3     -11.912  -2.334   5.572          0.032
+ATOM      6  CA  ALA     4     -11.945  -2.119   1.494          0.019
+ATOM      7  CB  ALA     4     -12.417  -2.410   1.013          0.011
+ATOM      8  CA  CYS     5     -11.640   1.570   1.672          0.008
+ATOM      9  CB  CYS     5     -12.791   2.088   1.500          0.048
+ATOM     10  CA  ALA     6      -9.522   1.337   4.805          0.003
+ATOM     11  CB  ALA     6      -9.892   1.366   5.442          0.081
+ATOM     12  CA  ALA     7      -7.315  -1.553   3.645          0.015
+ATOM     13  CB  ALA     7      -7.860  -2.061   3.549          0.007
+ATOM     14  CA  ALA     8      -6.875   0.155   0.191          0.025
+ATOM     15  CB  ALA     8      -7.277   0.698  -0.025          0.003
+ATOM     16  CA  ALA     9      -3.696   1.542   1.702          0.051
+ATOM     17  CB  ALA     9      -3.647   2.054   2.275          0.106
+ATOM     18  CA  ALA    10      -2.618  -2.027   2.681          0.039
+ATOM     19  CB  ALA    10      -3.313  -2.342   2.445          0.179
+ATOM     20  CA  ALA    11      -1.560  -3.078  -0.902          0.048
+ATOM     21  CB  ALA    11      -1.474  -3.847  -1.092          0.038
+ATOM     22  CA  ALA    12      -5.189  -3.942  -1.778          0.100
+ATOM     23  CB  ALA    12      -5.466  -3.263  -2.131          0.048
+ATOM     24  CA  ALA    13      -7.013  -6.400  -4.015          0.010
+ATOM     25  CB  ALA    13      -7.190  -7.162  -3.957          0.042
+ATOM     26  CA  CYS    14      -9.643  -3.759  -4.792          0.058
+ATOM     27  CB  CYS    14      -9.538  -3.289  -3.640          0.023
+ATOM     28  CA  ALA    15      -7.560  -1.754  -7.165          0.072
+ATOM     29  CB  ALA    15      -7.055  -1.427  -6.791          0.111
+ATOM     30  CA  ALA    16      -7.934  -4.381  -9.827          0.017
+ATOM     31  CB  ALA    16      -8.013  -5.100  -9.896          0.123
+ATOM     32  CA  ALA    17     -11.651  -3.903 -10.271          0.008
+ATOM     33  CB  ALA    17     -12.270  -3.411 -10.009          0.024
+ATOM     34  CA  GLY    18     -10.908  -3.670 -14.023          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1347.84                                       ENERGY    -1.58118E+01
+ATOM      1  CA  GLY     1     -18.595   1.890   5.637          0.015
+ATOM      2  CA  ALA     2     -16.281  -0.965   4.479          0.023
+ATOM      3  CB  ALA     2     -16.143  -0.865   3.681          0.012
+ATOM      4  CA  ALA     3     -12.822  -2.005   5.629          0.027
+ATOM      5  CB  ALA     3     -12.636  -2.709   5.620          0.138
+ATOM      6  CA  ALA     4     -11.667  -2.358   2.066          0.018
+ATOM      7  CB  ALA     4     -11.810  -2.853   1.444          0.034
+ATOM      8  CA  CYS     5     -11.818   1.354   1.735          0.031
+ATOM      9  CB  CYS     5     -13.015   1.727   1.778          0.016
+ATOM     10  CA  ALA     6      -9.050   1.949   4.319          0.013
+ATOM     11  CB  ALA     6      -9.204   2.046   5.046          0.104
+ATOM     12  CA  ALA     7      -7.369  -1.241   3.297          0.059
+ATOM     13  CB  ALA     7      -7.454  -1.961   3.183          0.068
+ATOM     14  CA  ALA     8      -6.662   0.210  -0.085          0.052
+ATOM     15  CB  ALA     8      -7.307   0.483  -0.307          0.027
+ATOM     16  CA  ALA     9      -3.070   1.246   0.893          0.055
+ATOM     17  CB  ALA     9      -2.944   2.029   0.827          0.060
+ATOM     18  CA  ALA    10      -2.739  -2.007   2.896          0.019
+ATOM     19  CB  ALA    10      -2.758  -2.416   3.478          0.059
+ATOM     20  CA  ALA    11      -1.700  -3.612  -0.405          0.015
+ATOM     21  CB  ALA    11      -0.996  -3.954  -0.216          0.172
+ATOM     22  CA  ALA    12      -4.915  -3.846  -2.407          0.010
+ATOM     23  CB  ALA    12      -5.020  -3.168  -2.835          0.018
+ATOM     24  CA  ALA    13      -6.738  -6.175  -4.668          0.006
+ATOM     25  CB  ALA    13      -6.592  -6.828  -4.316          0.173
+ATOM     26  CA  CYS    14      -9.822  -3.908  -4.530          0.040
+ATOM     27  CB  CYS    14      -9.900  -3.240  -3.542          0.002
+ATOM     28  CA  ALA    15      -8.126  -1.489  -6.983          0.008
+ATOM     29  CB  ALA    15      -7.455  -1.594  -6.591          0.117
+ATOM     30  CA  ALA    16      -8.184  -4.185  -9.618          0.044
+ATOM     31  CB  ALA    16      -7.980  -4.768 -10.013          0.070
+ATOM     32  CA  ALA    17     -11.875  -3.635 -10.023          0.020
+ATOM     33  CB  ALA    17     -11.715  -2.990  -9.984          0.010
+ATOM     34  CA  GLY    18     -11.633  -4.316 -13.747          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1352.84                                       ENERGY    -2.17649E+01
+ATOM      1  CA  GLY     1     -19.326   1.103   5.768          0.012
+ATOM      2  CA  ALA     2     -16.413  -0.815   4.215          0.063
+ATOM      3  CB  ALA     2     -16.031  -0.706   3.615          0.200
+ATOM      4  CA  ALA     3     -13.300  -1.866   6.148          0.055
+ATOM      5  CB  ALA     3     -13.406  -2.248   6.779          0.058
+ATOM      6  CA  ALA     4     -11.610  -2.899   2.828          0.034
+ATOM      7  CB  ALA     4     -11.873  -3.341   2.294          0.022
+ATOM      8  CA  CYS     5     -11.726   0.693   1.566          0.120
+ATOM      9  CB  CYS     5     -12.559   1.420   2.111          0.078
+ATOM     10  CA  ALA     6      -8.768   2.062   3.469          0.016
+ATOM     11  CB  ALA     6      -8.498   2.270   4.125          0.017
+ATOM     12  CA  ALA     7      -6.874  -1.114   2.782          0.044
+ATOM     13  CB  ALA     7      -7.216  -1.799   2.827          0.103
+ATOM     14  CA  ALA     8      -6.273  -0.105  -0.702          0.045
+ATOM     15  CB  ALA     8      -6.551   0.367  -1.259          0.048
+ATOM     16  CA  ALA     9      -3.091   1.631   0.665          0.057
+ATOM     17  CB  ALA     9      -3.043   2.326   0.806          0.016
+ATOM     18  CA  ALA    10      -2.114  -1.469   2.668          0.014
+ATOM     19  CB  ALA    10      -2.806  -1.479   3.129          0.138
+ATOM     20  CA  ALA    11      -2.038  -4.366   0.177          0.033
+ATOM     21  CB  ALA    11      -2.165  -5.102   0.118          0.016
+ATOM     22  CA  ALA    12      -4.994  -3.836  -2.226          0.035
+ATOM     23  CB  ALA    12      -5.301  -3.242  -2.577          0.173
+ATOM     24  CA  ALA    13      -6.525  -5.702  -5.159          0.027
+ATOM     25  CB  ALA    13      -6.757  -6.369  -5.048          0.019
+ATOM     26  CA  CYS    14      -9.768  -3.857  -4.493          0.009
+ATOM     27  CB  CYS    14      -9.423  -3.399  -3.420          0.024
+ATOM     28  CA  ALA    15      -8.489  -1.096  -6.763          0.071
+ATOM     29  CB  ALA    15      -7.782  -1.251  -6.751          0.057
+ATOM     30  CA  ALA    16      -8.011  -3.732  -9.485          0.036
+ATOM     31  CB  ALA    16      -7.722  -4.364  -9.339          0.207
+ATOM     32  CA  ALA    17     -11.747  -3.480 -10.046          0.081
+ATOM     33  CB  ALA    17     -12.250  -2.988  -9.684          0.006
+ATOM     34  CA  GLY    18     -12.686  -4.898 -13.500          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1357.84                                       ENERGY    -1.46371E+01
+ATOM      1  CA  GLY     1     -19.537   0.216   5.875          0.018
+ATOM      2  CA  ALA     2     -16.589  -1.403   4.131          0.021
+ATOM      3  CB  ALA     2     -16.793  -1.178   3.391          0.008
+ATOM      4  CA  ALA     3     -13.524  -0.774   6.186          0.014
+ATOM      5  CB  ALA     3     -13.339  -0.564   6.887          0.155
+ATOM      6  CA  ALA     4     -11.335  -2.523   3.680          0.017
+ATOM      7  CB  ALA     4     -11.537  -3.038   3.189          0.015
+ATOM      8  CA  CYS     5     -11.314   0.518   1.367          0.011
+ATOM      9  CB  CYS     5     -12.163   1.063   2.106          0.049
+ATOM     10  CA  ALA     6      -8.415   1.750   3.479          0.018
+ATOM     11  CB  ALA     6      -8.569   1.317   4.067          0.140
+ATOM     12  CA  ALA     7      -6.535  -1.444   2.438          0.076
+ATOM     13  CB  ALA     7      -6.839  -1.988   2.790          0.025
+ATOM     14  CA  ALA     8      -5.958  -0.025  -1.076          0.021
+ATOM     15  CB  ALA     8      -6.723   0.062  -1.241          0.049
+ATOM     16  CA  ALA     9      -2.855   1.732   0.078          0.099
+ATOM     17  CB  ALA     9      -2.645   2.225   0.517          0.090
+ATOM     18  CA  ALA    10      -2.299  -1.182   2.503          0.005
+ATOM     19  CB  ALA    10      -2.702  -1.134   3.141          0.120
+ATOM     20  CA  ALA    11      -2.110  -4.300   0.174          0.024
+ATOM     21  CB  ALA    11      -1.985  -4.928   0.632          0.097
+ATOM     22  CA  ALA    12      -5.012  -4.381  -2.310          0.011
+ATOM     23  CB  ALA    12      -4.966  -3.755  -2.073          0.046
+ATOM     24  CA  ALA    13      -6.817  -6.027  -5.259          0.043
+ATOM     25  CB  ALA    13      -7.186  -6.598  -5.428          0.037
+ATOM     26  CA  CYS    14      -9.846  -3.758  -4.663          0.015
+ATOM     27  CB  CYS    14     -10.048  -3.364  -3.556          0.032
+ATOM     28  CA  ALA    15      -8.453  -0.739  -6.605          0.069
+ATOM     29  CB  ALA    15      -8.394  -0.107  -6.257          0.048
+ATOM     30  CA  ALA    16      -8.039  -2.969  -9.695          0.044
+ATOM     31  CB  ALA    16      -7.527  -3.245 -10.160          0.017
+ATOM     32  CA  ALA    17     -11.661  -4.026  -9.747          0.031
+ATOM     33  CB  ALA    17     -12.037  -3.534  -9.432          0.055
+ATOM     34  CA  GLY    18     -13.407  -5.111 -12.986          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1362.81                                       ENERGY    -9.15170E+00
+ATOM      1  CA  GLY     1     -20.118  -0.854   6.087          0.009
+ATOM      2  CA  ALA     2     -16.820  -1.267   4.369          0.006
+ATOM      3  CB  ALA     2     -16.228  -0.955   3.975          0.058
+ATOM      4  CA  ALA     3     -13.586  -0.332   6.214          0.020
+ATOM      5  CB  ALA     3     -13.845  -0.433   6.930          0.022
+ATOM      6  CA  ALA     4     -11.525  -2.277   3.603          0.007
+ATOM      7  CB  ALA     4     -11.364  -2.906   3.390          0.070
+ATOM      8  CA  CYS     5     -11.035   0.788   1.428          0.027
+ATOM      9  CB  CYS     5     -12.246   1.124   1.401          0.028
+ATOM     10  CA  ALA     6      -8.174   1.459   3.778          0.008
+ATOM     11  CB  ALA     6      -8.233   2.011   4.400          0.125
+ATOM     12  CA  ALA     7      -6.323  -1.628   2.635          0.009
+ATOM     13  CB  ALA     7      -6.656  -2.343   2.533          0.218
+ATOM     14  CA  ALA     8      -6.449   0.180  -0.704          0.008
+ATOM     15  CB  ALA     8      -6.961   0.549  -0.891          0.180
+ATOM     16  CA  ALA     9      -2.767   1.109  -0.448          0.046
+ATOM     17  CB  ALA     9      -2.483   1.897  -0.372          0.025
+ATOM     18  CA  ALA    10      -2.090  -1.512   2.198          0.038
+ATOM     19  CB  ALA    10      -2.361  -1.536   2.856          0.047
+ATOM     20  CA  ALA    11      -1.944  -4.137  -0.629          0.019
+ATOM     21  CB  ALA    11      -1.520  -4.596  -0.328          0.154
+ATOM     22  CA  ALA    12      -5.455  -4.325  -2.237          0.010
+ATOM     23  CB  ALA    12      -5.431  -3.747  -1.773          0.002
+ATOM     24  CA  ALA    13      -6.639  -5.735  -5.502          0.015
+ATOM     25  CB  ALA    13      -6.385  -6.258  -5.998          0.119
+ATOM     26  CA  CYS    14     -10.007  -3.981  -4.732          0.015
+ATOM     27  CB  CYS    14     -10.217  -3.469  -3.641          0.005
+ATOM     28  CA  ALA    15      -8.383  -0.820  -6.159          0.013
+ATOM     29  CB  ALA    15      -7.821  -0.366  -6.118          0.084
+ATOM     30  CA  ALA    16      -8.307  -2.526  -9.549          0.024
+ATOM     31  CB  ALA    16      -7.827  -2.874  -9.165          0.008
+ATOM     32  CA  ALA    17     -11.674  -4.161  -9.382          0.007
+ATOM     33  CB  ALA    17     -11.921  -3.524  -9.190          0.076
+ATOM     34  CA  GLY    18     -13.644  -5.531 -12.306          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1367.81                                       ENERGY    -1.39568E+01
+ATOM      1  CA  GLY     1     -20.072  -1.275   5.941          0.008
+ATOM      2  CA  ALA     2     -16.637  -1.349   4.427          0.050
+ATOM      3  CB  ALA     2     -17.085  -1.220   3.806          0.009
+ATOM      4  CA  ALA     3     -13.380  -0.276   6.142          0.020
+ATOM      5  CB  ALA     3     -12.894  -0.345   6.678          0.091
+ATOM      6  CA  ALA     4     -11.590  -2.311   3.578          0.036
+ATOM      7  CB  ALA     4     -12.040  -2.857   3.315          0.028
+ATOM      8  CA  CYS     5     -11.275   0.625   1.230          0.032
+ATOM      9  CB  CYS     5     -11.773   1.553   1.827          0.017
+ATOM     10  CA  ALA     6      -8.743   2.181   3.501          0.091
+ATOM     11  CB  ALA     6      -8.552   2.301   4.180          0.110
+ATOM     12  CA  ALA     7      -6.684  -0.912   3.212          0.008
+ATOM     13  CB  ALA     7      -6.530  -1.461   3.644          0.006
+ATOM     14  CA  ALA     8      -6.551  -0.184  -0.541          0.034
+ATOM     15  CB  ALA     8      -6.844   0.448  -0.847          0.094
+ATOM     16  CA  ALA     9      -3.020   1.140  -0.415          0.027
+ATOM     17  CB  ALA     9      -2.865   1.734  -0.107          0.026
+ATOM     18  CA  ALA    10      -1.849  -2.034   1.393          0.031
+ATOM     19  CB  ALA    10      -2.266  -2.122   2.044          0.254
+ATOM     20  CA  ALA    11      -1.360  -4.217  -1.541          0.034
+ATOM     21  CB  ALA    11      -1.377  -5.060  -1.700          0.034
+ATOM     22  CA  ALA    12      -5.033  -4.403  -2.437          0.006
+ATOM     23  CB  ALA    12      -5.057  -3.654  -2.245          0.131
+ATOM     24  CA  ALA    13      -6.700  -5.593  -5.616          0.016
+ATOM     25  CB  ALA    13      -6.882  -6.201  -5.943          0.078
+ATOM     26  CA  CYS    14      -9.862  -4.081  -4.301          0.047
+ATOM     27  CB  CYS    14      -9.688  -3.822  -3.107          0.038
+ATOM     28  CA  ALA    15      -8.981  -0.877  -6.072          0.019
+ATOM     29  CB  ALA    15      -8.573  -0.453  -5.713          0.202
+ATOM     30  CA  ALA    16      -8.151  -2.675  -9.288          0.011
+ATOM     31  CB  ALA    16      -7.772  -3.224  -9.587          0.082
+ATOM     32  CA  ALA    17     -11.852  -3.493  -9.131          0.024
+ATOM     33  CB  ALA    17     -12.335  -2.953  -8.871          0.034
+ATOM     34  CA  GLY    18     -13.157  -6.100 -11.602          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1372.81                                       ENERGY    -1.45709E+01
+ATOM      1  CA  GLY     1     -19.810  -0.968   6.254          0.089
+ATOM      2  CA  ALA     2     -16.565  -1.687   4.455          0.021
+ATOM      3  CB  ALA     2     -16.075  -1.520   3.958          0.020
+ATOM      4  CA  ALA     3     -13.301  -0.243   5.755          0.008
+ATOM      5  CB  ALA     3     -12.980  -0.473   6.438          0.013
+ATOM      6  CA  ALA     4     -11.351  -2.131   3.163          0.002
+ATOM      7  CB  ALA     4     -11.496  -2.782   2.733          0.037
+ATOM      8  CA  CYS     5     -11.616   1.276   1.550          0.050
+ATOM      9  CB  CYS     5     -12.593   1.778   1.993          0.030
+ATOM     10  CA  ALA     6      -8.504   2.635   3.451          0.098
+ATOM     11  CB  ALA     6      -9.009   2.985   3.863          0.017
+ATOM     12  CA  ALA     7      -6.915  -0.750   3.455          0.038
+ATOM     13  CB  ALA     7      -7.217  -1.323   3.658          0.150
+ATOM     14  CA  ALA     8      -6.627  -0.771  -0.322          0.036
+ATOM     15  CB  ALA     8      -6.932  -0.564  -0.876          0.055
+ATOM     16  CA  ALA     9      -3.139   0.587  -0.044          0.055
+ATOM     17  CB  ALA     9      -2.894   1.301  -0.057          0.023
+ATOM     18  CA  ALA    10      -1.483  -2.527   1.191          0.046
+ATOM     19  CB  ALA    10      -1.632  -3.211   1.416          0.025
+ATOM     20  CA  ALA    11      -0.878  -3.764  -2.362          0.068
+ATOM     21  CB  ALA    11      -0.485  -4.337  -2.509          0.083
+ATOM     22  CA  ALA    12      -4.623  -4.172  -2.971          0.003
+ATOM     23  CB  ALA    12      -4.435  -3.495  -3.303          0.091
+ATOM     24  CA  ALA    13      -6.913  -5.670  -5.571          0.023
+ATOM     25  CB  ALA    13      -6.983  -6.442  -5.327          0.013
+ATOM     26  CA  CYS    14      -9.956  -3.949  -3.868          0.059
+ATOM     27  CB  CYS    14      -9.843  -3.674  -2.636          0.022
+ATOM     28  CA  ALA    15      -8.973  -0.726  -5.595          0.035
+ATOM     29  CB  ALA    15      -8.411  -0.456  -5.231          0.008
+ATOM     30  CA  ALA    16      -8.675  -2.499  -8.901          0.018
+ATOM     31  CB  ALA    16      -8.513  -3.175  -8.861          0.068
+ATOM     32  CA  ALA    17     -12.340  -3.588  -9.179          0.003
+ATOM     33  CB  ALA    17     -12.608  -2.903  -9.186          0.084
+ATOM     34  CA  GLY    18     -12.673  -6.562 -11.521          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1377.81                                       ENERGY    -9.93684E+00
+ATOM      1  CA  GLY     1     -19.323  -0.631   6.431          0.020
+ATOM      2  CA  ALA     2     -16.228  -1.497   4.430          0.015
+ATOM      3  CB  ALA     2     -16.150  -1.526   3.715          0.060
+ATOM      4  CA  ALA     3     -13.125  -0.296   6.298          0.006
+ATOM      5  CB  ALA     3     -13.183  -0.482   6.971          0.049
+ATOM      6  CA  ALA     4     -11.601  -2.191   3.403          0.048
+ATOM      7  CB  ALA     4     -11.693  -2.798   2.918          0.018
+ATOM      8  CA  CYS     5     -11.686   0.979   1.285          0.031
+ATOM      9  CB  CYS     5     -12.690   1.484   1.711          0.046
+ATOM     10  CA  ALA     6      -8.585   2.723   2.665          0.031
+ATOM     11  CB  ALA     6      -8.335   2.816   3.309          0.017
+ATOM     12  CA  ALA     7      -7.023  -0.585   3.433          0.046
+ATOM     13  CB  ALA     7      -7.281  -1.273   3.478          0.023
+ATOM     14  CA  ALA     8      -6.298  -0.837  -0.290          0.040
+ATOM     15  CB  ALA     8      -6.583  -0.083  -0.340          0.107
+ATOM     16  CA  ALA     9      -2.899   0.643   0.479          0.021
+ATOM     17  CB  ALA     9      -2.762   0.835   1.159          0.083
+ATOM     18  CA  ALA    10      -1.393  -2.896   0.782          0.025
+ATOM     19  CB  ALA    10      -1.966  -3.020   1.150          0.011
+ATOM     20  CA  ALA    11      -0.898  -3.459  -2.945          0.032
+ATOM     21  CB  ALA    11      -0.502  -4.065  -3.238          0.138
+ATOM     22  CA  ALA    12      -4.681  -3.578  -3.462          0.004
+ATOM     23  CB  ALA    12      -5.299  -3.060  -3.643          0.002
+ATOM     24  CA  ALA    13      -6.986  -5.877  -5.339          0.027
+ATOM     25  CB  ALA    13      -7.025  -6.544  -5.705          0.010
+ATOM     26  CA  CYS    14      -9.754  -4.046  -3.472          0.007
+ATOM     27  CB  CYS    14      -9.366  -3.802  -2.260          0.014
+ATOM     28  CA  ALA    15      -8.869  -0.806  -5.319          0.028
+ATOM     29  CB  ALA    15      -8.336  -0.192  -5.338          0.118
+ATOM     30  CA  ALA    16      -9.173  -2.663  -8.609          0.050
+ATOM     31  CB  ALA    16      -8.452  -2.865  -8.508          0.012
+ATOM     32  CA  ALA    17     -12.847  -3.667  -9.130          0.011
+ATOM     33  CB  ALA    17     -13.362  -3.505  -9.595          0.022
+ATOM     34  CA  GLY    18     -12.569  -6.608 -11.555          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1382.81                                       ENERGY    -1.63358E+01
+ATOM      1  CA  GLY     1     -19.457  -0.198   6.706          0.015
+ATOM      2  CA  ALA     2     -16.340  -1.100   4.667          0.041
+ATOM      3  CB  ALA     2     -16.308  -0.964   3.892          0.047
+ATOM      4  CA  ALA     3     -12.965  -0.188   6.073          0.012
+ATOM      5  CB  ALA     3     -12.940  -0.443   6.775          0.044
+ATOM      6  CA  ALA     4     -11.390  -2.501   3.539          0.009
+ATOM      7  CB  ALA     4     -11.172  -3.190   3.266          0.015
+ATOM      8  CA  CYS     5     -11.330   0.291   1.075          0.053
+ATOM      9  CB  CYS     5     -12.317   1.115   1.298          0.048
+ATOM     10  CA  ALA     6      -8.896   2.441   3.034          0.030
+ATOM     11  CB  ALA     6      -9.363   2.805   3.508          0.205
+ATOM     12  CA  ALA     7      -6.615  -0.553   3.620          0.047
+ATOM     13  CB  ALA     7      -6.962  -1.153   3.566          0.104
+ATOM     14  CA  ALA     8      -5.957  -0.226  -0.149          0.008
+ATOM     15  CB  ALA     8      -6.294   0.122  -0.730          0.151
+ATOM     16  CA  ALA     9      -2.416   0.695   0.770          0.013
+ATOM     17  CB  ALA     9      -1.919   1.061   1.260          0.013
+ATOM     18  CA  ALA    10      -1.141  -2.895   0.672          0.041
+ATOM     19  CB  ALA    10      -1.465  -3.573   0.939          0.060
+ATOM     20  CA  ALA    11      -1.377  -2.943  -3.174          0.057
+ATOM     21  CB  ALA    11      -0.945  -3.408  -3.568          0.014
+ATOM     22  CA  ALA    12      -5.060  -3.899  -3.219          0.001
+ATOM     23  CB  ALA    12      -5.327  -3.281  -3.559          0.080
+ATOM     24  CA  ALA    13      -7.229  -5.451  -5.871          0.034
+ATOM     25  CB  ALA    13      -6.927  -6.182  -6.005          0.019
+ATOM     26  CA  CYS    14      -9.760  -4.062  -3.470          0.094
+ATOM     27  CB  CYS    14      -9.417  -3.938  -2.369          0.005
+ATOM     28  CA  ALA    15      -9.550  -0.719  -5.233          0.029
+ATOM     29  CB  ALA    15      -9.118  -0.257  -4.834          0.047
+ATOM     30  CA  ALA    16      -9.248  -2.539  -8.563          0.019
+ATOM     31  CB  ALA    16      -9.240  -3.288  -8.816          0.038
+ATOM     32  CA  ALA    17     -12.670  -4.145  -9.166          0.008
+ATOM     33  CB  ALA    17     -13.158  -3.596  -8.885          0.007
+ATOM     34  CA  GLY    18     -12.931  -6.841 -11.819          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1387.81                                       ENERGY    -3.07746E+00
+ATOM      1  CA  GLY     1     -19.310   0.565   6.630          0.018
+ATOM      2  CA  ALA     2     -16.268  -0.784   4.731          0.020
+ATOM      3  CB  ALA     2     -16.421  -0.479   4.126          0.037
+ATOM      4  CA  ALA     3     -12.578  -0.449   5.719          0.037
+ATOM      5  CB  ALA     3     -12.314  -0.204   6.321          0.024
+ATOM      6  CA  ALA     4     -10.778  -2.914   3.347          0.009
+ATOM      7  CB  ALA     4     -11.294  -3.374   3.186          0.172
+ATOM      8  CA  CYS     5     -10.981   0.155   1.096          0.022
+ATOM      9  CB  CYS     5     -12.241   0.078   0.819          0.037
+ATOM     10  CA  ALA     6      -9.246   2.277   3.707          0.010
+ATOM     11  CB  ALA     6      -9.358   2.236   4.509          0.039
+ATOM     12  CA  ALA     7      -6.511  -0.212   3.893          0.003
+ATOM     13  CB  ALA     7      -6.644  -0.988   4.057          0.122
+ATOM     14  CA  ALA     8      -5.910   0.130   0.032          0.056
+ATOM     15  CB  ALA     8      -5.871   0.512  -0.633          0.010
+ATOM     16  CA  ALA     9      -2.276   0.971   0.868          0.040
+ATOM     17  CB  ALA     9      -1.660   1.227   1.329          0.028
+ATOM     18  CA  ALA    10      -0.807  -2.511   0.416          0.005
+ATOM     19  CB  ALA    10      -1.216  -2.961   0.844          0.018
+ATOM     20  CA  ALA    11      -1.109  -3.412  -3.294          0.014
+ATOM     21  CB  ALA    11      -0.621  -3.679  -3.849          0.006
+ATOM     22  CA  ALA    12      -4.928  -3.696  -3.224          0.014
+ATOM     23  CB  ALA    12      -4.600  -3.050  -3.053          0.048
+ATOM     24  CA  ALA    13      -7.257  -5.147  -5.858          0.010
+ATOM     25  CB  ALA    13      -7.350  -5.940  -6.033          0.049
+ATOM     26  CA  CYS    14     -10.374  -4.501  -3.810          0.027
+ATOM     27  CB  CYS    14     -10.246  -3.931  -2.850          0.012
+ATOM     28  CA  ALA    15     -10.634  -1.096  -5.443          0.015
+ATOM     29  CB  ALA    15     -10.186  -0.461  -5.450          0.052
+ATOM     30  CA  ALA    16      -9.424  -2.543  -8.705          0.011
+ATOM     31  CB  ALA    16      -8.634  -2.580  -8.553          0.021
+ATOM     32  CA  ALA    17     -12.613  -4.580  -8.532          0.005
+ATOM     33  CB  ALA    17     -13.299  -4.454  -8.365          0.118
+ATOM     34  CA  GLY    18     -13.446  -6.175 -11.838          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1392.80                                       ENERGY    -1.19862E+01
+ATOM      1  CA  GLY     1     -18.573   1.400   6.564          0.011
+ATOM      2  CA  ALA     2     -15.922  -0.683   4.740          0.022
+ATOM      3  CB  ALA     2     -15.741  -1.004   4.070          0.030
+ATOM      4  CA  ALA     3     -12.403  -0.618   6.160          0.029
+ATOM      5  CB  ALA     3     -12.101  -0.852   6.795          0.114
+ATOM      6  CA  ALA     4     -11.376  -3.251   3.631          0.033
+ATOM      7  CB  ALA     4     -12.041  -3.462   3.217          0.091
+ATOM      8  CA  CYS     5     -10.840  -0.526   1.102          0.021
+ATOM      9  CB  CYS     5     -11.436  -0.032   0.085          0.147
+ATOM     10  CA  ALA     6      -9.454   2.020   3.624          0.018
+ATOM     11  CB  ALA     6      -9.553   2.016   4.284          0.119
+ATOM     12  CA  ALA     7      -6.206   0.037   3.884          0.004
+ATOM     13  CB  ALA     7      -5.990  -0.672   4.058          0.178
+ATOM     14  CA  ALA     8      -5.452   0.342   0.148          0.015
+ATOM     15  CB  ALA     8      -6.056   0.778   0.103          0.025
+ATOM     16  CA  ALA     9      -1.757   1.498   0.796          0.044
+ATOM     17  CB  ALA     9      -1.662   1.862   1.455          0.006
+ATOM     18  CA  ALA    10      -0.597  -2.007   0.235          0.028
+ATOM     19  CB  ALA    10      -1.147  -2.502   0.460          0.004
+ATOM     20  CA  ALA    11      -1.388  -3.599  -3.196          0.016
+ATOM     21  CB  ALA    11      -1.132  -4.300  -3.223          0.026
+ATOM     22  CA  ALA    12      -5.179  -3.646  -2.967          0.010
+ATOM     23  CB  ALA    12      -5.838  -3.333  -2.728          0.012
+ATOM     24  CA  ALA    13      -7.215  -5.058  -5.889          0.015
+ATOM     25  CB  ALA    13      -7.041  -5.573  -6.457          0.141
+ATOM     26  CA  CYS    14     -10.295  -4.423  -3.833          0.007
+ATOM     27  CB  CYS    14     -10.002  -4.008  -2.678          0.025
+ATOM     28  CA  ALA    15     -10.898  -0.956  -5.366          0.055
+ATOM     29  CB  ALA    15     -10.748  -0.224  -5.126          0.031
+ATOM     30  CA  ALA    16     -10.249  -2.287  -8.888          0.004
+ATOM     31  CB  ALA    16      -9.796  -2.769  -9.079          0.105
+ATOM     32  CA  ALA    17     -12.506  -5.326  -8.794          0.007
+ATOM     33  CB  ALA    17     -12.944  -5.027  -8.261          0.009
+ATOM     34  CA  GLY    18     -14.046  -5.807 -12.267          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1397.80                                       ENERGY    -1.50452E+01
+ATOM      1  CA  GLY     1     -17.893   2.178   6.506          0.033
+ATOM      2  CA  ALA     2     -15.653  -0.470   5.061          0.041
+ATOM      3  CB  ALA     2     -15.588  -0.403   4.300          0.005
+ATOM      4  CA  ALA     3     -12.129  -1.035   6.282          0.032
+ATOM      5  CB  ALA     3     -12.454  -1.259   6.847          0.050
+ATOM      6  CA  ALA     4     -11.326  -3.479   3.441          0.010
+ATOM      7  CB  ALA     4     -11.786  -4.108   3.592          0.089
+ATOM      8  CA  CYS     5     -10.286  -0.777   1.092          0.006
+ATOM      9  CB  CYS     5     -10.874  -0.343   0.098          0.032
+ATOM     10  CA  ALA     6      -9.205   1.607   3.801          0.010
+ATOM     11  CB  ALA     6      -9.735   1.925   4.346          0.095
+ATOM     12  CA  ALA     7      -5.939  -0.132   3.698          0.040
+ATOM     13  CB  ALA     7      -5.470  -0.720   3.920          0.125
+ATOM     14  CA  ALA     8      -5.490   1.041   0.157          0.008
+ATOM     15  CB  ALA     8      -6.010   1.336  -0.316          0.067
+ATOM     16  CA  ALA     9      -1.806   1.812   0.813          0.016
+ATOM     17  CB  ALA     9      -1.572   2.469   1.191          0.026
+ATOM     18  CA  ALA    10      -0.851  -1.903   0.568          0.007
+ATOM     19  CB  ALA    10      -0.789  -2.270   1.246          0.098
+ATOM     20  CA  ALA    11      -1.543  -3.554  -2.813          0.022
+ATOM     21  CB  ALA    11      -1.300  -4.194  -3.093          0.011
+ATOM     22  CA  ALA    12      -5.281  -3.296  -2.947          0.013
+ATOM     23  CB  ALA    12      -5.053  -2.817  -2.397          0.070
+ATOM     24  CA  ALA    13      -7.173  -4.649  -6.013          0.015
+ATOM     25  CB  ALA    13      -7.259  -5.168  -6.580          0.077
+ATOM     26  CA  CYS    14     -10.491  -4.600  -4.112          0.043
+ATOM     27  CB  CYS    14     -10.487  -4.746  -2.833          0.053
+ATOM     28  CA  ALA    15     -11.327  -1.186  -5.580          0.057
+ATOM     29  CB  ALA    15     -10.876  -0.729  -5.794          0.079
+ATOM     30  CA  ALA    16     -10.591  -2.668  -9.023          0.093
+ATOM     31  CB  ALA    16      -9.905  -2.769  -9.345          0.049
+ATOM     32  CA  ALA    17     -13.333  -5.289  -8.740          0.013
+ATOM     33  CB  ALA    17     -13.827  -5.158  -8.177          0.023
+ATOM     34  CA  GLY    18     -14.150  -5.671 -12.474          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1402.80                                       ENERGY    -1.23427E+01
+ATOM      1  CA  GLY     1     -17.043   2.221   6.599          0.040
+ATOM      2  CA  ALA     2     -15.134  -0.294   4.458          0.019
+ATOM      3  CB  ALA     2     -14.983   0.197   3.968          0.046
+ATOM      4  CA  ALA     3     -11.858  -1.038   6.180          0.030
+ATOM      5  CB  ALA     3     -11.794  -1.078   6.873          0.071
+ATOM      6  CA  ALA     4     -11.342  -3.648   3.493          0.066
+ATOM      7  CB  ALA     4     -11.769  -4.193   3.106          0.034
+ATOM      8  CA  CYS     5     -10.020  -1.125   1.132          0.016
+ATOM      9  CB  CYS     5     -11.135  -1.026   0.657          0.048
+ATOM     10  CA  ALA     6      -9.147   1.203   3.980          0.041
+ATOM     11  CB  ALA     6      -8.828   1.313   4.640          0.038
+ATOM     12  CA  ALA     7      -5.537   0.007   3.799          0.025
+ATOM     13  CB  ALA     7      -5.507  -0.630   4.177          0.036
+ATOM     14  CA  ALA     8      -5.465   1.092   0.135          0.013
+ATOM     15  CB  ALA     8      -5.382   1.457  -0.437          0.042
+ATOM     16  CA  ALA     9      -1.643   1.748   0.107          0.064
+ATOM     17  CB  ALA     9      -1.225   2.188   0.541          0.042
+ATOM     18  CA  ALA    10      -0.774  -1.686   1.302          0.016
+ATOM     19  CB  ALA    10      -1.458  -1.634   1.547          0.024
+ATOM     20  CA  ALA    11      -2.099  -2.852  -2.007          0.032
+ATOM     21  CB  ALA    11      -1.580  -3.044  -2.454          0.075
+ATOM     22  CA  ALA    12      -5.808  -3.142  -2.765          0.040
+ATOM     23  CB  ALA    12      -6.297  -2.649  -2.993          0.122
+ATOM     24  CA  ALA    13      -7.043  -4.908  -5.956          0.015
+ATOM     25  CB  ALA    13      -6.432  -5.356  -5.928          0.004
+ATOM     26  CA  CYS    14     -10.521  -4.841  -4.387          0.050
+ATOM     27  CB  CYS    14     -10.203  -4.541  -3.316          0.034
+ATOM     28  CA  ALA    15     -11.596  -1.483  -5.733          0.009
+ATOM     29  CB  ALA    15     -11.567  -0.889  -5.189          0.026
+ATOM     30  CA  ALA    16     -10.929  -2.733  -9.227          0.022
+ATOM     31  CB  ALA    16     -10.274  -2.978  -9.498          0.095
+ATOM     32  CA  ALA    17     -13.819  -5.144  -9.039          0.046
+ATOM     33  CB  ALA    17     -14.251  -5.001  -8.433          0.029
+ATOM     34  CA  GLY    18     -14.881  -5.832 -12.576          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1407.80                                       ENERGY    -8.41573E+00
+ATOM      1  CA  GLY     1     -16.501   2.114   6.597          0.013
+ATOM      2  CA  ALA     2     -14.470   0.072   4.060          0.071
+ATOM      3  CB  ALA     2     -14.321   0.643   3.668          0.034
+ATOM      4  CA  ALA     3     -11.703  -1.411   6.380          0.039
+ATOM      5  CB  ALA     3     -12.042  -1.757   6.889          0.039
+ATOM      6  CA  ALA     4     -10.515  -3.644   3.535          0.007
+ATOM      7  CB  ALA     4     -11.083  -4.181   3.656          0.044
+ATOM      8  CA  CYS     5     -10.007  -0.912   1.093          0.057
+ATOM      9  CB  CYS     5     -11.146  -1.230   0.629          0.025
+ATOM     10  CA  ALA     6      -8.634   1.346   3.917          0.016
+ATOM     11  CB  ALA     6      -9.292   1.225   4.166          0.015
+ATOM     12  CA  ALA     7      -5.252  -0.238   3.197          0.001
+ATOM     13  CB  ALA     7      -4.886  -0.884   3.279          0.096
+ATOM     14  CA  ALA     8      -5.300   1.748   0.020          0.023
+ATOM     15  CB  ALA     8      -5.995   2.006  -0.051          0.059
+ATOM     16  CA  ALA     9      -1.495   2.168   0.514          0.019
+ATOM     17  CB  ALA     9      -1.646   2.677   1.020          0.018
+ATOM     18  CA  ALA    10      -0.763  -1.433   1.492          0.021
+ATOM     19  CB  ALA    10      -0.871  -1.974   1.995          0.172
+ATOM     20  CA  ALA    11      -2.371  -2.817  -1.656          0.040
+ATOM     21  CB  ALA    11      -2.419  -3.399  -2.058          0.093
+ATOM     22  CA  ALA    12      -6.066  -2.852  -2.755          0.014
+ATOM     23  CB  ALA    12      -6.252  -2.223  -2.346          0.058
+ATOM     24  CA  ALA    13      -7.210  -4.650  -5.911          0.018
+ATOM     25  CB  ALA    13      -7.144  -5.264  -6.368          0.025
+ATOM     26  CA  CYS    14     -10.586  -5.338  -4.328          0.011
+ATOM     27  CB  CYS    14     -10.768  -5.194  -3.129          0.083
+ATOM     28  CA  ALA    15     -11.666  -1.899  -5.541          0.037
+ATOM     29  CB  ALA    15     -11.338  -1.283  -5.418          0.050
+ATOM     30  CA  ALA    16     -11.072  -2.563  -9.326          0.020
+ATOM     31  CB  ALA    16     -10.405  -2.882  -9.637          0.055
+ATOM     32  CA  ALA    17     -13.932  -5.142  -9.494          0.014
+ATOM     33  CB  ALA    17     -14.290  -4.860  -8.879          0.027
+ATOM     34  CA  GLY    18     -16.011  -5.962 -12.504          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1412.80                                       ENERGY    -1.00690E+01
+ATOM      1  CA  GLY     1     -16.487   1.705   6.363          0.037
+ATOM      2  CA  ALA     2     -13.848  -0.025   4.166          0.019
+ATOM      3  CB  ALA     2     -13.462   0.619   4.090          0.065
+ATOM      4  CA  ALA     3     -11.185  -1.660   6.312          0.032
+ATOM      5  CB  ALA     3     -11.513  -1.687   6.993          0.056
+ATOM      6  CA  ALA     4     -10.271  -3.880   3.427          0.041
+ATOM      7  CB  ALA     4     -10.282  -4.410   2.784          0.039
+ATOM      8  CA  CYS     5     -10.368  -1.014   0.889          0.062
+ATOM      9  CB  CYS     5     -11.438  -1.012   0.294          0.034
+ATOM     10  CA  ALA     6      -8.926   1.478   3.402          0.021
+ATOM     11  CB  ALA     6      -9.060   1.685   4.154          0.056
+ATOM     12  CA  ALA     7      -5.629  -0.166   3.254          0.026
+ATOM     13  CB  ALA     7      -5.130  -0.762   3.161          0.059
+ATOM     14  CA  ALA     8      -4.908   1.585   0.014          0.055
+ATOM     15  CB  ALA     8      -5.064   2.329  -0.108          0.085
+ATOM     16  CA  ALA     9      -1.405   2.537   1.058          0.013
+ATOM     17  CB  ALA     9      -1.052   2.917   1.624          0.035
+ATOM     18  CA  ALA    10      -0.376  -1.126   0.754          0.030
+ATOM     19  CB  ALA    10      -0.313  -1.078   1.553          0.018
+ATOM     20  CA  ALA    11      -2.876  -2.784  -1.588          0.014
+ATOM     21  CB  ALA    11      -2.343  -3.344  -1.783          0.171
+ATOM     22  CA  ALA    12      -6.625  -3.385  -2.165          0.014
+ATOM     23  CB  ALA    12      -7.222  -3.047  -1.738          0.133
+ATOM     24  CA  ALA    13      -7.516  -4.800  -5.599          0.027
+ATOM     25  CB  ALA    13      -6.787  -4.934  -5.601          0.024
+ATOM     26  CA  CYS    14     -11.175  -5.324  -4.485          0.001
+ATOM     27  CB  CYS    14     -10.663  -5.503  -3.365          0.032
+ATOM     28  CA  ALA    15     -11.967  -1.809  -5.734          0.002
+ATOM     29  CB  ALA    15     -11.940  -1.060  -5.560          0.013
+ATOM     30  CA  ALA    16     -11.100  -2.630  -9.320          0.008
+ATOM     31  CB  ALA    16     -10.675  -3.332  -9.276          0.150
+ATOM     32  CA  ALA    17     -14.087  -5.100  -9.386          0.004
+ATOM     33  CB  ALA    17     -14.468  -4.890  -8.742          0.015
+ATOM     34  CA  GLY    18     -16.345  -5.670 -12.369          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1417.80                                       ENERGY    -1.18896E+01
+ATOM      1  CA  GLY     1     -16.703   1.541   6.514          0.047
+ATOM      2  CA  ALA     2     -14.253  -0.740   4.806          0.035
+ATOM      3  CB  ALA     2     -13.902  -0.331   4.266          0.057
+ATOM      4  CA  ALA     3     -10.709  -1.469   5.970          0.023
+ATOM      5  CB  ALA     3     -10.457  -2.179   6.339          0.154
+ATOM      6  CA  ALA     4      -9.973  -3.747   3.049          0.049
+ATOM      7  CB  ALA     4     -10.164  -4.366   3.467          0.021
+ATOM      8  CA  CYS     5     -10.166  -0.878   0.515          0.021
+ATOM      9  CB  CYS     5     -11.158  -0.401  -0.053          0.007
+ATOM     10  CA  ALA     6      -8.791   1.686   2.968          0.045
+ATOM     11  CB  ALA     6      -8.989   1.885   3.662          0.077
+ATOM     12  CA  ALA     7      -5.389   0.079   2.932          0.062
+ATOM     13  CB  ALA     7      -5.762  -0.510   3.098          0.046
+ATOM     14  CA  ALA     8      -4.591   1.890  -0.356          0.021
+ATOM     15  CB  ALA     8      -5.118   2.381  -0.301          0.042
+ATOM     16  CA  ALA     9      -1.068   2.463   1.003          0.016
+ATOM     17  CB  ALA     9      -0.916   2.413   1.713          0.046
+ATOM     18  CA  ALA    10      -0.465  -1.287   1.012          0.031
+ATOM     19  CB  ALA    10      -0.396  -1.752   1.481          0.100
+ATOM     20  CA  ALA    11      -2.926  -2.086  -1.816          0.000
+ATOM     21  CB  ALA    11      -3.209  -2.026  -2.423          0.089
+ATOM     22  CA  ALA    12      -6.334  -3.726  -1.545          0.023
+ATOM     23  CB  ALA    12      -6.755  -3.771  -0.880          0.052
+ATOM     24  CA  ALA    13      -7.284  -4.808  -5.037          0.014
+ATOM     25  CB  ALA    13      -7.373  -5.217  -5.608          0.028
+ATOM     26  CA  CYS    14     -11.027  -5.522  -4.332          0.007
+ATOM     27  CB  CYS    14     -11.069  -5.073  -3.163          0.022
+ATOM     28  CA  ALA    15     -12.109  -2.150  -5.499          0.024
+ATOM     29  CB  ALA    15     -11.806  -1.700  -5.010          0.071
+ATOM     30  CA  ALA    16     -11.558  -2.816  -9.214          0.033
+ATOM     31  CB  ALA    16     -10.939  -2.722  -9.713          0.062
+ATOM     32  CA  ALA    17     -14.554  -5.174  -9.195          0.004
+ATOM     33  CB  ALA    17     -14.868  -5.397  -8.552          0.027
+ATOM     34  CA  GLY    18     -16.151  -5.201 -12.585          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1422.80                                       ENERGY    -1.07850E+01
+ATOM      1  CA  GLY     1     -16.345   0.868   6.902          0.054
+ATOM      2  CA  ALA     2     -14.181  -1.563   4.923          0.035
+ATOM      3  CB  ALA     2     -14.371  -1.889   4.266          0.046
+ATOM      4  CA  ALA     3     -10.566  -0.572   5.494          0.046
+ATOM      5  CB  ALA     3     -10.223  -0.763   6.124          0.170
+ATOM      6  CA  ALA     4      -9.658  -3.145   2.828          0.051
+ATOM      7  CB  ALA     4      -9.991  -3.637   2.331          0.044
+ATOM      8  CA  CYS     5     -10.082  -0.406   0.170          0.012
+ATOM      9  CB  CYS     5     -11.247  -0.479  -0.159          0.025
+ATOM     10  CA  ALA     6      -8.791   1.872   2.946          0.002
+ATOM     11  CB  ALA     6      -9.263   2.016   3.567          0.009
+ATOM     12  CA  ALA     7      -5.594  -0.269   2.988          0.016
+ATOM     13  CB  ALA     7      -4.974  -0.637   2.865          0.026
+ATOM     14  CA  ALA     8      -4.526   1.800  -0.166          0.013
+ATOM     15  CB  ALA     8      -4.946   2.370  -0.295          0.045
+ATOM     16  CA  ALA     9      -1.091   2.144   1.355          0.046
+ATOM     17  CB  ALA     9      -0.959   2.668   1.831          0.125
+ATOM     18  CA  ALA    10      -0.509  -1.493   0.674          0.021
+ATOM     19  CB  ALA    10      -0.737  -1.945   1.163          0.015
+ATOM     20  CA  ALA    11      -2.937  -2.187  -2.187          0.027
+ATOM     21  CB  ALA    11      -2.531  -1.962  -2.745          0.073
+ATOM     22  CA  ALA    12      -6.169  -4.058  -1.845          0.071
+ATOM     23  CB  ALA    12      -6.553  -4.055  -1.182          0.020
+ATOM     24  CA  ALA    13      -7.704  -4.570  -5.164          0.007
+ATOM     25  CB  ALA    13      -7.085  -4.806  -5.532          0.000
+ATOM     26  CA  CYS    14     -11.257  -5.580  -4.176          0.063
+ATOM     27  CB  CYS    14     -10.985  -4.839  -3.213          0.013
+ATOM     28  CA  ALA    15     -12.814  -2.278  -5.179          0.042
+ATOM     29  CB  ALA    15     -12.553  -1.590  -4.919          0.079
+ATOM     30  CA  ALA    16     -11.682  -2.976  -8.725          0.006
+ATOM     31  CB  ALA    16     -11.243  -3.543  -8.612          0.077
+ATOM     32  CA  ALA    17     -14.591  -5.506  -8.583          0.030
+ATOM     33  CB  ALA    17     -15.099  -5.184  -8.137          0.049
+ATOM     34  CA  GLY    18     -15.443  -4.444 -12.185          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1427.80                                       ENERGY    -1.70774E+01
+ATOM      1  CA  GLY     1     -16.168  -0.610   7.434          0.053
+ATOM      2  CA  ALA     2     -14.324  -2.208   4.528          0.077
+ATOM      3  CB  ALA     2     -14.400  -2.331   3.810          0.028
+ATOM      4  CA  ALA     3     -10.937  -0.745   5.374          0.010
+ATOM      5  CB  ALA     3     -10.752  -0.705   6.109          0.017
+ATOM      6  CA  ALA     4      -9.363  -3.007   2.802          0.015
+ATOM      7  CB  ALA     4      -9.445  -3.716   2.515          0.124
+ATOM      8  CA  CYS     5     -10.004  -0.283   0.106          0.040
+ATOM      9  CB  CYS     5     -11.254  -0.258   0.254          0.024
+ATOM     10  CA  ALA     6      -8.684   2.418   2.392          0.004
+ATOM     11  CB  ALA     6      -8.847   2.867   2.992          0.022
+ATOM     12  CA  ALA     7      -5.341   0.735   2.750          0.046
+ATOM     13  CB  ALA     7      -5.709   0.116   2.799          0.094
+ATOM     14  CA  ALA     8      -4.251   1.740  -0.852          0.002
+ATOM     15  CB  ALA     8      -4.926   2.059  -0.829          0.061
+ATOM     16  CA  ALA     9      -1.193   1.926   1.323          0.040
+ATOM     17  CB  ALA     9      -0.926   1.882   2.102          0.093
+ATOM     18  CA  ALA    10      -0.337  -1.725   0.736          0.084
+ATOM     19  CB  ALA    10      -0.358  -2.171   1.332          0.070
+ATOM     20  CA  ALA    11      -2.365  -2.650  -2.228          0.032
+ATOM     21  CB  ALA    11      -2.392  -3.200  -2.723          0.055
+ATOM     22  CA  ALA    12      -6.132  -3.232  -2.381          0.008
+ATOM     23  CB  ALA    12      -6.290  -2.736  -1.897          0.137
+ATOM     24  CA  ALA    13      -7.851  -4.594  -5.462          0.028
+ATOM     25  CB  ALA    13      -7.787  -4.996  -6.146          0.035
+ATOM     26  CA  CYS    14     -10.936  -5.258  -3.465          0.056
+ATOM     27  CB  CYS    14     -11.182  -4.623  -2.369          0.044
+ATOM     28  CA  ALA    15     -13.012  -2.327  -4.724          0.031
+ATOM     29  CB  ALA    15     -13.384  -1.776  -4.319          0.142
+ATOM     30  CA  ALA    16     -11.837  -3.048  -8.289          0.055
+ATOM     31  CB  ALA    16     -11.198  -3.525  -8.555          0.128
+ATOM     32  CA  ALA    17     -14.589  -5.644  -8.552          0.011
+ATOM     33  CB  ALA    17     -15.165  -5.423  -8.203          0.043
+ATOM     34  CA  GLY    18     -15.658  -4.212 -11.869          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1432.79                                       ENERGY    -8.15250E+00
+ATOM      1  CA  GLY     1     -15.989  -3.184   7.167          0.070
+ATOM      2  CA  ALA     2     -14.064  -2.491   3.918          0.006
+ATOM      3  CB  ALA     2     -14.480  -2.257   3.347          0.038
+ATOM      4  CA  ALA     3     -11.127  -0.627   5.442          0.008
+ATOM      5  CB  ALA     3     -11.029  -0.666   6.130          0.067
+ATOM      6  CA  ALA     4      -8.829  -2.179   2.927          0.006
+ATOM      7  CB  ALA     4      -8.514  -2.767   2.543          0.060
+ATOM      8  CA  CYS     5     -10.379  -0.011   0.388          0.012
+ATOM      9  CB  CYS     5     -11.618  -0.046   0.113          0.015
+ATOM     10  CA  ALA     6      -8.557   3.013   2.017          0.050
+ATOM     11  CB  ALA     6      -8.877   3.342   2.615          0.041
+ATOM     12  CA  ALA     7      -5.686   0.801   2.836          0.001
+ATOM     13  CB  ALA     7      -5.647   0.101   3.187          0.058
+ATOM     14  CA  ALA     8      -4.300   1.221  -0.692          0.040
+ATOM     15  CB  ALA     8      -3.772   1.439  -1.204          0.105
+ATOM     16  CA  ALA     9      -0.721   1.719   0.666          0.006
+ATOM     17  CB  ALA     9      -1.155   2.213   1.098          0.223
+ATOM     18  CA  ALA    10      -0.288  -2.054   0.832          0.030
+ATOM     19  CB  ALA    10      -0.766  -2.477   1.200          0.015
+ATOM     20  CA  ALA    11      -2.125  -2.846  -2.363          0.002
+ATOM     21  CB  ALA    11      -1.604  -3.301  -2.707          0.028
+ATOM     22  CA  ALA    12      -5.910  -3.042  -2.489          0.013
+ATOM     23  CB  ALA    12      -6.187  -2.371  -2.553          0.097
+ATOM     24  CA  ALA    13      -8.338  -4.319  -5.170          0.007
+ATOM     25  CB  ALA    13      -7.804  -4.774  -5.266          0.011
+ATOM     26  CA  CYS    14     -11.352  -5.131  -3.105          0.008
+ATOM     27  CB  CYS    14     -11.251  -4.827  -1.903          0.001
+ATOM     28  CA  ALA    15     -13.267  -2.116  -4.361          0.018
+ATOM     29  CB  ALA    15     -12.584  -1.870  -4.290          0.117
+ATOM     30  CA  ALA    16     -12.227  -2.912  -7.891          0.047
+ATOM     31  CB  ALA    16     -11.837  -3.162  -8.569          0.054
+ATOM     32  CA  ALA    17     -14.859  -5.641  -8.413          0.014
+ATOM     33  CB  ALA    17     -15.000  -6.089  -7.789          0.040
+ATOM     34  CA  GLY    18     -15.894  -4.014 -11.742          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1437.79                                       ENERGY    -1.96802E+01
+ATOM      1  CA  GLY     1     -16.147  -5.235   5.987          0.131
+ATOM      2  CA  ALA     2     -13.723  -3.189   3.858          0.012
+ATOM      3  CB  ALA     2     -13.790  -2.645   3.441          0.181
+ATOM      4  CA  ALA     3     -11.094  -0.612   5.253          0.006
+ATOM      5  CB  ALA     3     -11.208  -0.782   5.944          0.031
+ATOM      6  CA  ALA     4      -8.535  -2.040   2.887          0.043
+ATOM      7  CB  ALA     4      -8.609  -2.673   2.638          0.009
+ATOM      8  CA  CYS     5      -9.861   0.200   0.091          0.014
+ATOM      9  CB  CYS     5     -11.005   0.131  -0.182          0.016
+ATOM     10  CA  ALA     6      -8.670   3.420   1.762          0.050
+ATOM     11  CB  ALA     6      -9.033   3.755   2.363          0.039
+ATOM     12  CA  ALA     7      -5.466   1.778   2.832          0.064
+ATOM     13  CB  ALA     7      -5.080   1.131   2.798          0.024
+ATOM     14  CA  ALA     8      -4.512   1.352  -0.834          0.068
+ATOM     15  CB  ALA     8      -5.001   1.559  -1.391          0.299
+ATOM     16  CA  ALA     9      -0.875   1.517   0.198          0.055
+ATOM     17  CB  ALA     9      -0.225   1.629   0.557          0.056
+ATOM     18  CA  ALA    10      -0.572  -2.151   0.773          0.022
+ATOM     19  CB  ALA    10      -0.845  -2.521   1.375          0.006
+ATOM     20  CA  ALA    11      -2.433  -2.891  -2.402          0.064
+ATOM     21  CB  ALA    11      -1.958  -3.134  -2.934          0.096
+ATOM     22  CA  ALA    12      -6.003  -3.893  -1.854          0.067
+ATOM     23  CB  ALA    12      -6.020  -3.278  -1.440          0.133
+ATOM     24  CA  ALA    13      -8.210  -4.415  -4.916          0.012
+ATOM     25  CB  ALA    13      -8.156  -4.865  -5.459          0.010
+ATOM     26  CA  CYS    14     -11.457  -5.056  -3.079          0.023
+ATOM     27  CB  CYS    14     -11.468  -4.513  -2.006          0.027
+ATOM     28  CA  ALA    15     -12.987  -1.801  -4.266          0.031
+ATOM     29  CB  ALA    15     -13.426  -1.283  -4.555          0.083
+ATOM     30  CA  ALA    16     -12.055  -2.715  -7.785          0.026
+ATOM     31  CB  ALA    16     -11.373  -2.767  -7.648          0.070
+ATOM     32  CA  ALA    17     -14.672  -5.409  -7.649          0.050
+ATOM     33  CB  ALA    17     -15.321  -5.260  -7.306          0.035
+ATOM     34  CA  GLY    18     -16.865  -4.824 -10.804          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1442.79                                       ENERGY    -1.22912E+01
+ATOM      1  CA  GLY     1     -16.467  -5.997   4.472          0.024
+ATOM      2  CA  ALA     2     -13.157  -4.109   3.845          0.009
+ATOM      3  CB  ALA     2     -13.265  -4.101   3.150          0.140
+ATOM      4  CA  ALA     3     -11.177  -0.897   4.698          0.010
+ATOM      5  CB  ALA     3     -11.051  -0.438   5.158          0.042
+ATOM      6  CA  ALA     4      -7.901  -1.580   2.923          0.014
+ATOM      7  CB  ALA     4      -7.723  -2.216   3.307          0.138
+ATOM      8  CA  CYS     5      -9.244   0.475  -0.013          0.011
+ATOM      9  CB  CYS     5     -10.441   0.134   0.056          0.090
+ATOM     10  CA  ALA     6      -8.556   3.662   1.972          0.009
+ATOM     11  CB  ALA     6      -9.027   3.874   2.471          0.011
+ATOM     12  CA  ALA     7      -5.176   1.990   2.745          0.022
+ATOM     13  CB  ALA     7      -5.298   1.375   3.295          0.004
+ATOM     14  CA  ALA     8      -4.588   2.018  -0.990          0.109
+ATOM     15  CB  ALA     8      -4.561   2.422  -1.665          0.209
+ATOM     16  CA  ALA     9      -0.908   1.710  -0.322          0.021
+ATOM     17  CB  ALA     9      -0.658   2.250   0.069          0.096
+ATOM     18  CA  ALA    10      -0.966  -2.021   0.443          0.038
+ATOM     19  CB  ALA    10      -1.455  -2.312   0.934          0.031
+ATOM     20  CA  ALA    11      -2.897  -3.369  -2.454          0.014
+ATOM     21  CB  ALA    11      -2.935  -4.085  -2.698          0.070
+ATOM     22  CA  ALA    12      -6.340  -4.593  -1.432          0.013
+ATOM     23  CB  ALA    12      -6.581  -4.330  -0.774          0.079
+ATOM     24  CA  ALA    13      -8.518  -4.451  -4.616          0.003
+ATOM     25  CB  ALA    13      -8.533  -4.986  -5.165          0.018
+ATOM     26  CA  CYS    14     -11.799  -4.499  -2.769          0.039
+ATOM     27  CB  CYS    14     -11.357  -4.576  -1.656          0.009
+ATOM     28  CA  ALA    15     -12.647  -1.122  -4.325          0.068
+ATOM     29  CB  ALA    15     -12.218  -0.603  -3.932          0.027
+ATOM     30  CA  ALA    16     -12.290  -2.585  -7.845          0.012
+ATOM     31  CB  ALA    16     -11.837  -2.738  -8.334          0.037
+ATOM     32  CA  ALA    17     -14.960  -5.179  -7.508          0.024
+ATOM     33  CB  ALA    17     -14.971  -5.278  -6.771          0.060
+ATOM     34  CA  GLY    18     -17.614  -5.580 -10.165          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time 1447.79                                       ENERGY    -1.44170E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -16.228  -5.675   3.933          0.010
+ATOM      2  CA  ALA     2     -12.675  -4.687   3.234          0.024
+ATOM      3  CB  ALA     2     -12.637  -5.146   2.565          0.076
+ATOM      4  CA  ALA     3     -11.680  -1.424   4.867          0.006
+ATOM      5  CB  ALA     3     -11.598  -0.981   5.532          0.223
+ATOM      6  CA  ALA     4      -8.034  -1.706   3.504          0.031
+ATOM      7  CB  ALA     4      -7.641  -2.181   3.009          0.006
+ATOM      8  CA  CYS     5      -9.058   0.243   0.446          0.045
+ATOM      9  CB  CYS     5     -10.138  -0.366   0.642          0.012
+ATOM     10  CA  ALA     6      -8.675   3.617   2.179          0.014
+ATOM     11  CB  ALA     6      -8.816   3.840   2.884          0.040
+ATOM     12  CA  ALA     7      -5.003   3.067   2.470          0.040
+ATOM     13  CB  ALA     7      -4.605   2.399   2.540          0.108
+ATOM     14  CA  ALA     8      -4.248   2.614  -1.329          0.032
+ATOM     15  CB  ALA     8      -3.884   3.086  -1.822          0.127
+ATOM     16  CA  ALA     9      -0.573   1.796  -0.732          0.020
+ATOM     17  CB  ALA     9      -0.147   2.165  -0.279          0.069
+ATOM     18  CA  ALA    10      -1.248  -1.892   0.261          0.011
+ATOM     19  CB  ALA    10      -1.805  -1.785   0.718          0.081
+ATOM     20  CA  ALA    11      -3.223  -4.042  -2.164          0.025
+ATOM     21  CB  ALA    11      -2.708  -4.596  -2.255          0.080
+ATOM     22  CA  ALA    12      -6.933  -4.446  -1.366          0.043
+ATOM     23  CB  ALA    12      -6.983  -3.695  -1.212          0.071
+ATOM     24  CA  ALA    13      -8.616  -5.005  -4.675          0.039
+ATOM     25  CB  ALA    13      -8.561  -5.358  -5.357          0.012
+ATOM     26  CA  CYS    14     -12.028  -4.592  -3.114          0.025
+ATOM     27  CB  CYS    14     -11.646  -4.083  -2.072          0.053
+ATOM     28  CA  ALA    15     -12.152  -1.020  -4.426          0.006
+ATOM     29  CB  ALA    15     -12.073  -0.334  -4.367          0.034
+ATOM     30  CA  ALA    16     -12.495  -2.521  -7.823          0.013
+ATOM     31  CB  ALA    16     -11.930  -2.926  -8.134          0.048
+ATOM     32  CA  ALA    17     -15.250  -4.948  -6.647          0.012
+ATOM     33  CB  ALA    17     -15.773  -4.889  -6.009          0.116
+ATOM     34  CA  GLY    18     -17.699  -6.011  -9.337          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time 1452.79                                       ENERGY    -9.26843E+00
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -16.059  -5.527   3.663          0.023
+ATOM      2  CA  ALA     2     -12.454  -4.987   2.767          0.025
+ATOM      3  CB  ALA     2     -11.697  -4.781   2.833          0.033
+ATOM      4  CA  ALA     3     -11.763  -1.991   4.932          0.005
+ATOM      5  CB  ALA     3     -12.150  -2.265   5.613          0.021
+ATOM      6  CA  ALA     4      -8.019  -1.743   4.057          0.035
+ATOM      7  CB  ALA     4      -7.680  -2.413   4.086          0.025
+ATOM      8  CA  CYS     5      -8.823  -0.229   0.632          0.039
+ATOM      9  CB  CYS     5      -9.910  -0.444   0.125          0.036
+ATOM     10  CA  ALA     6      -8.463   3.305   2.263          0.014
+ATOM     11  CB  ALA     6      -8.898   3.275   2.872          0.036
+ATOM     12  CA  ALA     7      -4.699   3.251   2.157          0.028
+ATOM     13  CB  ALA     7      -4.006   2.938   2.160          0.026
+ATOM     14  CA  ALA     8      -3.944   3.047  -1.497          0.003
+ATOM     15  CB  ALA     8      -4.533   3.390  -1.843          0.033
+ATOM     16  CA  ALA     9      -0.488   1.652  -1.143          0.007
+ATOM     17  CB  ALA     9       0.274   1.830  -0.795          0.065
+ATOM     18  CA  ALA    10      -1.961  -1.356   0.586          0.009
+ATOM     19  CB  ALA    10      -2.567  -1.168   1.078          0.076
+ATOM     20  CA  ALA    11      -2.677  -4.128  -1.915          0.010
+ATOM     21  CB  ALA    11      -2.665  -4.868  -1.789          0.050
+ATOM     22  CA  ALA    12      -6.518  -3.856  -2.417          0.025
+ATOM     23  CB  ALA    12      -6.719  -3.266  -2.785          0.308
+ATOM     24  CA  ALA    13      -9.074  -5.408  -4.645          0.012
+ATOM     25  CB  ALA    13      -9.112  -6.116  -4.522          0.075
+ATOM     26  CA  CYS    14     -11.926  -4.003  -2.584          0.048
+ATOM     27  CB  CYS    14     -11.569  -3.409  -1.519          0.017
+ATOM     28  CA  ALA    15     -12.104  -0.868  -4.698          0.004
+ATOM     29  CB  ALA    15     -11.332  -0.822  -4.743          0.064
+ATOM     30  CA  ALA    16     -13.032  -2.849  -7.826          0.017
+ATOM     31  CB  ALA    16     -12.565  -3.162  -8.313          0.124
+ATOM     32  CA  ALA    17     -15.906  -4.733  -6.236          0.070
+ATOM     33  CB  ALA    17     -16.113  -4.092  -5.847          0.034
+ATOM     34  CA  GLY    18     -17.948  -6.331  -8.977          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time 1457.79                                       ENERGY    -1.91337E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -15.561  -5.548   2.863          0.018
+ATOM      2  CA  ALA     2     -11.787  -5.503   3.336          0.005
+ATOM      3  CB  ALA     2     -11.670  -5.753   2.684          0.045
+ATOM      4  CA  ALA     3     -11.659  -1.895   4.453          0.001
+ATOM      5  CB  ALA     3     -12.147  -1.600   4.890          0.115
+ATOM      6  CA  ALA     4      -7.933  -1.883   4.468          0.056
+ATOM      7  CB  ALA     4      -7.507  -2.487   4.471          0.012
+ATOM      8  CA  CYS     5      -7.992  -0.701   0.810          0.072
+ATOM      9  CB  CYS     5      -9.006  -1.105   0.290          0.094
+ATOM     10  CA  ALA     6      -8.426   2.755   2.278          0.005
+ATOM     11  CB  ALA     6      -8.616   3.052   2.898          0.098
+ATOM     12  CA  ALA     7      -4.614   3.292   2.140          0.016
+ATOM     13  CB  ALA     7      -4.513   2.679   2.433          0.246
+ATOM     14  CA  ALA     8      -4.545   2.963  -1.746          0.013
+ATOM     15  CB  ALA     8      -4.102   3.365  -2.192          0.067
+ATOM     16  CA  ALA     9      -0.950   1.765  -1.488          0.013
+ATOM     17  CB  ALA     9      -0.743   2.097  -0.840          0.033
+ATOM     18  CA  ALA    10      -2.130  -1.173   0.713          0.010
+ATOM     19  CB  ALA    10      -2.633  -1.235   1.251          0.049
+ATOM     20  CA  ALA    11      -3.280  -3.729  -1.803          0.031
+ATOM     21  CB  ALA    11      -3.089  -4.419  -1.544          0.096
+ATOM     22  CA  ALA    12      -6.845  -3.354  -3.138          0.044
+ATOM     23  CB  ALA    12      -6.572  -2.919  -3.695          0.077
+ATOM     24  CA  ALA    13      -9.589  -5.639  -4.213          0.034
+ATOM     25  CB  ALA    13      -9.666  -6.394  -4.074          0.004
+ATOM     26  CA  CYS    14     -12.069  -3.161  -2.597          0.005
+ATOM     27  CB  CYS    14     -11.342  -3.049  -1.545          0.021
+ATOM     28  CA  ALA    15     -11.812  -0.703  -5.451          0.023
+ATOM     29  CB  ALA    15     -11.266  -0.301  -5.690          0.190
+ATOM     30  CA  ALA    16     -12.814  -3.549  -7.704          0.031
+ATOM     31  CB  ALA    16     -12.738  -4.327  -7.674          0.072
+ATOM     32  CA  ALA    17     -16.027  -3.841  -5.764          0.030
+ATOM     33  CB  ALA    17     -16.453  -3.419  -5.428          0.091
+ATOM     34  CA  GLY    18     -18.038  -6.350  -7.829          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time 1462.78                                       ENERGY    -1.82137E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -15.375  -5.743   3.214          0.006
+ATOM      2  CA  ALA     2     -11.624  -5.654   2.812          0.049
+ATOM      3  CB  ALA     2     -11.026  -5.825   2.335          0.121
+ATOM      4  CA  ALA     3     -11.526  -2.039   3.802          0.009
+ATOM      5  CB  ALA     3     -11.780  -1.791   4.415          0.121
+ATOM      6  CA  ALA     4      -7.898  -2.370   4.557          0.009
+ATOM      7  CB  ALA     4      -7.487  -2.717   5.054          0.018
+ATOM      8  CA  CYS     5      -7.058  -0.880   1.106          0.025
+ATOM      9  CB  CYS     5      -7.924  -1.686   0.656          0.110
+ATOM     10  CA  ALA     6      -8.321   2.601   1.799          0.017
+ATOM     11  CB  ALA     6      -8.823   2.749   2.334          0.030
+ATOM     12  CA  ALA     7      -4.735   3.807   2.135          0.013
+ATOM     13  CB  ALA     7      -4.083   3.849   2.332          0.087
+ATOM     14  CA  ALA     8      -4.742   2.646  -1.461          0.008
+ATOM     15  CB  ALA     8      -5.406   3.022  -1.510          0.133
+ATOM     16  CA  ALA     9      -1.061   1.904  -1.290          0.057
+ATOM     17  CB  ALA     9      -0.364   2.255  -1.105          0.021
+ATOM     18  CA  ALA    10      -1.821  -1.423   0.429          0.033
+ATOM     19  CB  ALA    10      -2.035  -0.951   0.941          0.041
+ATOM     20  CA  ALA    11      -3.879  -3.660  -1.783          0.041
+ATOM     21  CB  ALA    11      -3.827  -4.415  -1.912          0.056
+ATOM     22  CA  ALA    12      -7.322  -2.663  -3.012          0.064
+ATOM     23  CB  ALA    12      -7.315  -2.016  -3.337          0.078
+ATOM     24  CA  ALA    13      -9.927  -5.341  -3.891          0.008
+ATOM     25  CB  ALA    13     -10.047  -6.090  -3.910          0.030
+ATOM     26  CA  CYS    14     -12.330  -2.728  -2.506          0.015
+ATOM     27  CB  CYS    14     -11.656  -2.487  -1.497          0.052
+ATOM     28  CA  ALA    15     -11.428  -1.317  -5.955          0.022
+ATOM     29  CB  ALA    15     -10.719  -1.291  -6.214          0.048
+ATOM     30  CA  ALA    16     -13.194  -4.176  -7.605          0.006
+ATOM     31  CB  ALA    16     -12.748  -4.716  -8.039          0.158
+ATOM     32  CA  ALA    17     -16.229  -3.570  -5.360          0.014
+ATOM     33  CB  ALA    17     -16.509  -2.828  -5.301          0.015
+ATOM     34  CA  GLY    18     -18.383  -6.217  -7.132          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time 1467.78                                       ENERGY    -1.01921E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -14.905  -6.322   2.935          0.043
+ATOM      2  CA  ALA     2     -11.088  -5.759   3.020          0.004
+ATOM      3  CB  ALA     2     -11.062  -5.676   2.314          0.017
+ATOM      4  CA  ALA     3     -11.656  -2.109   3.659          0.003
+ATOM      5  CB  ALA     3     -12.079  -1.676   4.116          0.008
+ATOM      6  CA  ALA     4      -8.133  -2.407   4.903          0.041
+ATOM      7  CB  ALA     4      -7.495  -2.748   4.973          0.024
+ATOM      8  CA  CYS     5      -7.066  -0.987   1.624          0.024
+ATOM      9  CB  CYS     5      -8.154  -1.370   1.149          0.023
+ATOM     10  CA  ALA     6      -8.358   2.478   2.473          0.005
+ATOM     11  CB  ALA     6      -8.747   2.402   3.072          0.008
+ATOM     12  CA  ALA     7      -4.957   3.875   1.792          0.024
+ATOM     13  CB  ALA     7      -4.569   3.304   2.203          0.070
+ATOM     14  CA  ALA     8      -4.874   2.484  -1.779          0.046
+ATOM     15  CB  ALA     8      -5.308   2.741  -2.355          0.215
+ATOM     16  CA  ALA     9      -1.190   2.057  -1.459          0.003
+ATOM     17  CB  ALA     9      -0.591   2.491  -1.105          0.010
+ATOM     18  CA  ALA    10      -1.718  -1.410   0.009          0.041
+ATOM     19  CB  ALA    10      -1.897  -2.050   0.447          0.013
+ATOM     20  CA  ALA    11      -3.515  -3.553  -2.634          0.068
+ATOM     21  CB  ALA    11      -3.931  -4.037  -2.339          0.123
+ATOM     22  CA  ALA    12      -7.164  -2.672  -3.300          0.017
+ATOM     23  CB  ALA    12      -7.189  -2.199  -3.924          0.128
+ATOM     24  CA  ALA    13      -9.665  -5.420  -3.289          0.010
+ATOM     25  CB  ALA    13      -9.834  -5.801  -2.704          0.155
+ATOM     26  CA  CYS    14     -11.745  -2.307  -2.620          0.024
+ATOM     27  CB  CYS    14     -10.975  -1.959  -1.712          0.032
+ATOM     28  CA  ALA    15     -11.662  -1.261  -6.240          0.097
+ATOM     29  CB  ALA    15     -10.924  -1.187  -6.609          0.026
+ATOM     30  CA  ALA    16     -13.556  -4.343  -7.292          0.028
+ATOM     31  CB  ALA    16     -13.272  -4.828  -6.924          0.034
+ATOM     32  CA  ALA    17     -16.564  -3.475  -5.100          0.017
+ATOM     33  CB  ALA    17     -16.630  -2.890  -5.499          0.012
+ATOM     34  CA  GLY    18     -18.755  -6.013  -6.979          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time 1472.74                                       ENERGY    -1.87610E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -14.657  -7.175   2.972          0.024
+ATOM      2  CA  ALA     2     -11.288  -5.552   2.396          0.054
+ATOM      3  CB  ALA     2     -10.678  -5.458   1.943          0.026
+ATOM      4  CA  ALA     3     -11.975  -2.316   4.345          0.040
+ATOM      5  CB  ALA     3     -12.476  -2.448   4.870          0.136
+ATOM      6  CA  ALA     4      -8.298  -2.214   5.239          0.009
+ATOM      7  CB  ALA     4      -8.174  -2.809   5.660          0.049
+ATOM      8  CA  CYS     5      -7.431  -1.202   1.648          0.004
+ATOM      9  CB  CYS     5      -8.151  -1.397   0.711          0.026
+ATOM     10  CA  ALA     6      -8.465   2.422   2.364          0.017
+ATOM     11  CB  ALA     6      -8.674   2.639   3.047          0.122
+ATOM     12  CA  ALA     7      -4.850   3.555   1.816          0.014
+ATOM     13  CB  ALA     7      -4.189   3.491   2.030          0.037
+ATOM     14  CA  ALA     8      -5.093   2.331  -1.797          0.023
+ATOM     15  CB  ALA     8      -5.048   2.683  -2.538          0.127
+ATOM     16  CA  ALA     9      -1.282   1.930  -1.805          0.014
+ATOM     17  CB  ALA     9      -1.119   2.366  -1.293          0.057
+ATOM     18  CA  ALA    10      -1.568  -1.698  -0.499          0.066
+ATOM     19  CB  ALA    10      -1.701  -1.121  -0.041          0.081
+ATOM     20  CA  ALA    11      -3.115  -3.712  -3.309          0.005
+ATOM     21  CB  ALA    11      -3.087  -4.458  -3.133          0.051
+ATOM     22  CA  ALA    12      -6.678  -2.681  -4.018          0.031
+ATOM     23  CB  ALA    12      -6.870  -2.300  -4.613          0.045
+ATOM     24  CA  ALA    13      -9.533  -4.765  -2.501          0.047
+ATOM     25  CB  ALA    13      -9.025  -5.410  -2.593          0.039
+ATOM     26  CA  CYS    14     -11.975  -1.787  -2.321          0.002
+ATOM     27  CB  CYS    14     -11.164  -1.332  -1.504          0.003
+ATOM     28  CA  ALA    15     -11.875  -1.448  -6.078          0.029
+ATOM     29  CB  ALA    15     -11.280  -1.319  -6.461          0.019
+ATOM     30  CA  ALA    16     -13.387  -4.877  -6.517          0.034
+ATOM     31  CB  ALA    16     -12.966  -5.379  -6.120          0.167
+ATOM     32  CA  ALA    17     -16.546  -3.315  -5.262          0.019
+ATOM     33  CB  ALA    17     -16.739  -2.624  -5.041          0.061
+ATOM     34  CA  GLY    18     -19.336  -5.532  -6.591          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time 1477.74                                       ENERGY    -1.90327E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -14.612  -7.574   2.541          0.031
+ATOM      2  CA  ALA     2     -11.273  -5.793   2.093          0.026
+ATOM      3  CB  ALA     2     -11.518  -5.357   1.569          0.006
+ATOM      4  CA  ALA     3     -12.035  -2.783   4.358          0.034
+ATOM      5  CB  ALA     3     -12.506  -3.066   4.835          0.080
+ATOM      6  CA  ALA     4      -8.506  -1.970   5.570          0.034
+ATOM      7  CB  ALA     4      -8.025  -2.219   6.149          0.020
+ATOM      8  CA  CYS     5      -7.444  -1.051   2.062          0.008
+ATOM      9  CB  CYS     5      -8.223  -1.206   1.130          0.051
+ATOM     10  CA  ALA     6      -8.273   2.626   2.396          0.012
+ATOM     11  CB  ALA     6      -8.527   3.192   2.788          0.022
+ATOM     12  CA  ALA     7      -4.643   3.508   1.561          0.025
+ATOM     13  CB  ALA     7      -4.331   2.876   1.753          0.064
+ATOM     14  CA  ALA     8      -5.130   2.324  -1.986          0.048
+ATOM     15  CB  ALA     8      -5.758   2.389  -1.631          0.042
+ATOM     16  CA  ALA     9      -1.347   1.870  -2.527          0.017
+ATOM     17  CB  ALA     9      -0.827   2.266  -2.069          0.073
+ATOM     18  CA  ALA    10      -1.289  -1.465  -0.734          0.016
+ATOM     19  CB  ALA    10      -1.619  -2.053  -0.505          0.218
+ATOM     20  CA  ALA    11      -3.013  -3.289  -3.559          0.019
+ATOM     21  CB  ALA    11      -3.008  -4.026  -3.914          0.141
+ATOM     22  CA  ALA    12      -6.707  -2.400  -4.082          0.034
+ATOM     23  CB  ALA    12      -7.133  -2.115  -4.638          0.094
+ATOM     24  CA  ALA    13      -9.229  -4.798  -2.413          0.008
+ATOM     25  CB  ALA    13      -9.233  -5.168  -1.850          0.048
+ATOM     26  CA  CYS    14     -11.707  -1.933  -2.076          0.003
+ATOM     27  CB  CYS    14     -10.788  -1.263  -1.599          0.029
+ATOM     28  CA  ALA    15     -11.962  -1.354  -5.891          0.057
+ATOM     29  CB  ALA    15     -11.367  -1.371  -6.339          0.014
+ATOM     30  CA  ALA    16     -13.298  -4.902  -6.288          0.012
+ATOM     31  CB  ALA    16     -13.308  -5.685  -6.193          0.068
+ATOM     32  CA  ALA    17     -16.561  -3.720  -4.734          0.008
+ATOM     33  CB  ALA    17     -16.476  -2.946  -4.750          0.043
+ATOM     34  CA  GLY    18     -19.758  -4.904  -6.354          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time 1482.74                                       ENERGY    -1.19759E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -14.272  -8.293   1.455          0.009
+ATOM      2  CA  ALA     2     -11.713  -5.688   2.508          0.056
+ATOM      3  CB  ALA     2     -11.286  -5.411   1.937          0.007
+ATOM      4  CA  ALA     3     -12.277  -2.363   4.355          0.028
+ATOM      5  CB  ALA     3     -12.754  -2.415   4.918          0.036
+ATOM      6  CA  ALA     4      -8.642  -1.717   5.586          0.003
+ATOM      7  CB  ALA     4      -8.372  -2.118   6.093          0.057
+ATOM      8  CA  CYS     5      -7.545  -0.963   2.070          0.002
+ATOM      9  CB  CYS     5      -8.396  -1.368   1.304          0.014
+ATOM     10  CA  ALA     6      -7.943   2.744   2.821          0.028
+ATOM     11  CB  ALA     6      -8.308   2.651   3.484          0.058
+ATOM     12  CA  ALA     7      -4.416   3.288   1.695          0.052
+ATOM     13  CB  ALA     7      -3.827   3.128   2.197          0.068
+ATOM     14  CA  ALA     8      -5.243   1.740  -1.750          0.005
+ATOM     15  CB  ALA     8      -5.301   1.497  -2.425          0.120
+ATOM     16  CA  ALA     9      -1.649   1.892  -3.068          0.072
+ATOM     17  CB  ALA     9      -1.040   2.324  -3.106          0.030
+ATOM     18  CA  ALA    10      -1.003  -1.551  -1.536          0.074
+ATOM     19  CB  ALA    10      -1.217  -1.024  -0.955          0.008
+ATOM     20  CA  ALA    11      -3.207  -3.173  -4.117          0.007
+ATOM     21  CB  ALA    11      -3.209  -3.695  -4.590          0.108
+ATOM     22  CA  ALA    12      -6.694  -2.063  -3.390          0.000
+ATOM     23  CB  ALA    12      -7.229  -2.061  -3.976          0.047
+ATOM     24  CA  ALA    13      -9.178  -4.721  -2.716          0.030
+ATOM     25  CB  ALA    13      -8.831  -5.253  -2.315          0.006
+ATOM     26  CA  CYS    14     -11.787  -2.068  -2.150          0.026
+ATOM     27  CB  CYS    14     -11.018  -1.495  -1.372          0.031
+ATOM     28  CA  ALA    15     -11.890  -1.491  -6.020          0.005
+ATOM     29  CB  ALA    15     -11.159  -1.472  -6.249          0.132
+ATOM     30  CA  ALA    16     -13.501  -4.902  -6.297          0.102
+ATOM     31  CB  ALA    16     -12.951  -5.147  -5.811          0.024
+ATOM     32  CA  ALA    17     -16.582  -3.936  -4.227          0.011
+ATOM     33  CB  ALA    17     -16.280  -3.309  -3.986          0.023
+ATOM     34  CA  GLY    18     -19.870  -4.495  -5.960          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time 1487.74                                       ENERGY    -9.37918E+00
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -13.862  -7.824   0.533          0.033
+ATOM      2  CA  ALA     2     -11.759  -5.543   2.657          0.009
+ATOM      3  CB  ALA     2     -11.077  -5.460   2.905          0.032
+ATOM      4  CA  ALA     3     -12.452  -2.144   4.243          0.007
+ATOM      5  CB  ALA     3     -13.111  -2.032   4.496          0.026
+ATOM      6  CA  ALA     4      -8.929  -2.017   5.800          0.001
+ATOM      7  CB  ALA     4      -8.714  -2.718   5.815          0.027
+ATOM      8  CA  CYS     5      -7.459  -0.989   2.360          0.016
+ATOM      9  CB  CYS     5      -8.259  -1.220   1.509          0.038
+ATOM     10  CA  ALA     6      -7.757   2.829   2.945          0.014
+ATOM     11  CB  ALA     6      -7.472   3.288   3.436          0.036
+ATOM     12  CA  ALA     7      -4.208   2.885   1.459          0.017
+ATOM     13  CB  ALA     7      -3.672   2.506   1.803          0.140
+ATOM     14  CA  ALA     8      -5.159   1.588  -1.964          0.012
+ATOM     15  CB  ALA     8      -5.613   1.776  -2.523          0.101
+ATOM     16  CA  ALA     9      -1.633   2.361  -3.229          0.034
+ATOM     17  CB  ALA     9      -1.855   3.087  -3.076          0.076
+ATOM     18  CA  ALA    10      -0.352  -1.097  -2.494          0.032
+ATOM     19  CB  ALA    10       0.103  -1.607  -1.964          0.373
+ATOM     20  CA  ALA    11      -3.138  -2.868  -4.235          0.017
+ATOM     21  CB  ALA    11      -2.857  -3.593  -4.150          0.040
+ATOM     22  CA  ALA    12      -6.755  -2.469  -3.244          0.073
+ATOM     23  CB  ALA    12      -7.326  -2.267  -3.574          0.039
+ATOM     24  CA  ALA    13      -9.451  -5.148  -2.845          0.005
+ATOM     25  CB  ALA    13      -9.836  -5.667  -2.451          0.034
+ATOM     26  CA  CYS    14     -11.770  -2.304  -1.894          0.005
+ATOM     27  CB  CYS    14     -11.319  -1.452  -1.091          0.004
+ATOM     28  CA  ALA    15     -12.131  -1.480  -5.578          0.044
+ATOM     29  CB  ALA    15     -11.736  -0.957  -5.883          0.163
+ATOM     30  CA  ALA    16     -13.550  -4.801  -6.350          0.027
+ATOM     31  CB  ALA    16     -13.265  -5.436  -6.516          0.047
+ATOM     32  CA  ALA    17     -16.361  -4.408  -3.842          0.003
+ATOM     33  CB  ALA    17     -16.527  -3.788  -3.433          0.082
+ATOM     34  CA  GLY    18     -19.557  -4.077  -5.616          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time 1492.74                                       ENERGY    -1.03893E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -13.851  -7.177   0.289          0.003
+ATOM      2  CA  ALA     2     -11.491  -5.492   2.727          0.034
+ATOM      3  CB  ALA     2     -10.933  -5.384   2.195          0.124
+ATOM      4  CA  ALA     3     -12.264  -1.902   3.634          0.004
+ATOM      5  CB  ALA     3     -12.987  -1.788   3.882          0.026
+ATOM      6  CA  ALA     4      -9.094  -1.499   5.583          0.004
+ATOM      7  CB  ALA     4      -9.168  -1.570   6.303          0.124
+ATOM      8  CA  CYS     5      -7.118  -1.366   2.288          0.013
+ATOM      9  CB  CYS     5      -7.947  -1.395   1.364          0.009
+ATOM     10  CA  ALA     6      -7.424   2.479   2.593          0.083
+ATOM     11  CB  ALA     6      -7.691   2.966   2.970          0.084
+ATOM     12  CA  ALA     7      -3.816   1.882   1.409          0.018
+ATOM     13  CB  ALA     7      -3.316   1.396   1.693          0.027
+ATOM     14  CA  ALA     8      -5.253   1.387  -2.015          0.018
+ATOM     15  CB  ALA     8      -5.796   1.255  -1.521          0.040
+ATOM     16  CA  ALA     9      -2.203   2.827  -3.538          0.006
+ATOM     17  CB  ALA     9      -1.588   3.240  -3.330          0.099
+ATOM     18  CA  ALA    10      -0.391  -0.570  -3.130          0.021
+ATOM     19  CB  ALA    10      -0.246  -0.282  -2.521          0.097
+ATOM     20  CA  ALA    11      -3.390  -2.523  -4.251          0.014
+ATOM     21  CB  ALA    11      -3.128  -3.206  -4.154          0.010
+ATOM     22  CA  ALA    12      -6.686  -3.345  -2.555          0.009
+ATOM     23  CB  ALA    12      -6.695  -2.613  -2.569          0.059
+ATOM     24  CA  ALA    13      -9.978  -5.301  -3.205          0.027
+ATOM     25  CB  ALA    13      -9.921  -5.571  -2.524          0.017
+ATOM     26  CA  CYS    14     -11.845  -2.510  -1.579          0.032
+ATOM     27  CB  CYS    14     -11.159  -1.866  -0.800          0.016
+ATOM     28  CA  ALA    15     -12.538  -0.927  -5.023          0.189
+ATOM     29  CB  ALA    15     -12.094  -0.804  -5.573          0.098
+ATOM     30  CA  ALA    16     -13.858  -4.344  -6.282          0.049
+ATOM     31  CB  ALA    16     -13.550  -4.917  -6.252          0.071
+ATOM     32  CA  ALA    17     -16.255  -4.941  -3.411          0.010
+ATOM     33  CB  ALA    17     -16.409  -4.920  -2.704          0.039
+ATOM     34  CA  GLY    18     -19.014  -3.616  -5.749          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time 1497.74                                       ENERGY    -1.14462E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1     -14.101  -7.034   1.256          0.039
+ATOM      2  CA  ALA     2     -11.109  -5.227   2.822          0.064
+ATOM      3  CB  ALA     2     -10.715  -5.477   2.238          0.068
+ATOM      4  CA  ALA     3     -12.561  -1.734   3.235          0.020
+ATOM      5  CB  ALA     3     -13.100  -1.522   3.702          0.058
+ATOM      6  CA  ALA     4      -9.510  -1.175   5.475          0.019
+ATOM      7  CB  ALA     4      -9.098  -1.686   5.828          0.022
+ATOM      8  CA  CYS     5      -7.083  -1.672   2.620          0.021
+ATOM      9  CB  CYS     5      -8.097  -1.633   1.931          0.016
+ATOM     10  CA  ALA     6      -6.932   2.168   2.228          0.023
+ATOM     11  CB  ALA     6      -7.328   2.382   2.720          0.055
+ATOM     12  CA  ALA     7      -3.385   1.274   1.041          0.080
+ATOM     13  CB  ALA     7      -3.107   0.684   1.342          0.009
+ATOM     14  CA  ALA     8      -5.609   1.695  -2.042          0.063
+ATOM     15  CB  ALA     8      -6.082   2.231  -2.150          0.083
+ATOM     16  CA  ALA     9      -2.605   2.941  -3.950          0.043
+ATOM     17  CB  ALA     9      -2.509   3.628  -3.831          0.050
+ATOM     18  CA  ALA    10      -0.684  -0.234  -2.917          0.042
+ATOM     19  CB  ALA    10      -0.834  -0.732  -2.266          0.008
+ATOM     20  CA  ALA    11      -3.281  -2.582  -4.438          0.009
+ATOM     21  CB  ALA    11      -3.149  -2.927  -5.019          0.062
+ATOM     22  CA  ALA    12      -6.581  -3.314  -2.476          0.039
+ATOM     23  CB  ALA    12      -6.750  -2.641  -2.407          0.101
+ATOM     24  CA  ALA    13      -9.676  -5.391  -3.306          0.020
+ATOM     25  CB  ALA    13      -9.803  -6.135  -3.233          0.053
+ATOM     26  CA  CYS    14     -11.634  -2.587  -1.426          0.022
+ATOM     27  CB  CYS    14     -10.879  -2.102  -0.599          0.008
+ATOM     28  CA  ALA    15     -12.896  -0.947  -4.595          0.035
+ATOM     29  CB  ALA    15     -13.251  -0.570  -5.141          0.040
+ATOM     30  CA  ALA    16     -13.599  -4.379  -6.011          0.021
+ATOM     31  CB  ALA    16     -12.874  -4.614  -6.049          0.065
+ATOM     32  CA  ALA    17     -16.307  -5.177  -3.351          0.022
+ATOM     33  CB  ALA    17     -15.805  -4.999  -2.951          0.007
+ATOM     34  CA  GLY    18     -18.468  -2.597  -5.130          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
diff --git a/examples/unres/new/MD/DYN_SS/ss/min/fort.12 b/examples/unres/new/MD/DYN_SS/ss/min/fort.12
new file mode 100644
index 0000000..306733e
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/ss/min/fort.12
@@ -0,0 +1,4 @@
+DefPropRes 'coil' '! (helix | sheet)'
+XMacStand ribbon.mac
+DefPropRes 'coil' '! (helix | sheet)'
+XMacStand ribbon.mac
diff --git a/examples/unres/new/MD/DYN_SS/ss/min/small.inp b/examples/unres/new/MD/DYN_SS/ss/min/small.inp
new file mode 100644
index 0000000..53183ed
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/ss/min/small.inp
@@ -0,0 +1,20 @@
+small
+SEED=-1111333 MINIMIZE CART ONE_LETTER
+
+WSC=1.00000 WSCP=2.79405 WELEC=0.14581 WANG=1.95684 WSCLOC=0.17010             &
+WTOR=2.04698 WTORD=1.69624 WCORRH=1.84615 WCORR5=0.02730 WCORR6=0.00741        &
+WEL_LOC=1.21837 WTURN3=2.91386 WTURN4=0.73178 WTURN6=0.02391 WBOND=1.0         &
+CUTOFF=7.00000 WCORR4=0.00000 HT=3.0
+18
+GAAACAAAAAAAACAAAG
+2 5 14
+1 5 14
+ 0
+   90.0000   90.0000   90.0000  90.000   90.000   90.000   90.000   90.000
+   90.0000   90.0000   90.0000  90.000   90.000   90.000   90.000   90.000
+  180.0000  180.0000  180.0000 180.000  180.000  180.000  180.000  180.000
+  180.0000  180.0000  180.0000 180.000  180.000  180.000  180.000  180.000
+  110.0000  110.0000  110.0000 100.000  110.000  100.000  110.000  110.000
+  110.0000  110.0000  110.0000 100.000  110.000  100.000  110.000  110.000
+ -120.0000 -120.0000 -120.000 -120.000 -120.000 -120.000 -120.000 -120.000
+ -120.0000 -120.0000 -120.000 -120.000 -120.000 -120.000 -120.000 -120.000
diff --git a/examples/unres/new/MD/DYN_SS/ss/min/small.intin b/examples/unres/new/MD/DYN_SS/ss/min/small.intin
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/ss/min/small.out_GB000 b/examples/unres/new/MD/DYN_SS/ss/min/small.out_GB000
new file mode 100644
index 0000000..9cb3d56
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/ss/min/small.out_GB000
@@ -0,0 +1,349 @@
+--------------------------------------------------------------------------------
+                              FILE ASSIGNMENT
+--------------------------------------------------------------------------------
+ Input file                      : small.inp
+ Output file                     : small.out_GB000
+ 
+ Sidechain potential file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-
+ 10-8k
+ SCp potential file              : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm
+ Electrostatic potential file    : 
+ /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm
+ Cumulant coefficient file       : 
+ /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ Torsional parameter file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm
+ Double torsional parameter file : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/czarek/UNRES/GIT/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm
+ Bending parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm
+ Rotamer parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm
+ Threading database              : 
+ /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart
+--------------------------------------------------------------------------------
+********************************************************************************
+United-residue force field calculation - parallel job.
+********************************************************************************
+ ### LAST MODIFIED  03/28/12 23:29 by czarek
+ ++++ Compile info ++++
+ Version 3.1 build 41
+ compiled Fri Feb 15 01:43:03 2013
+ compiled by czarek@piasek3
+ OS name:    Linux 
+ OS release: 2.6.32-42-generic 
+ OS version: #96-Ubuntu SMP Wed Aug 15 19:37:37 UTC 2012 
+ flags:
+ INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
+ FC= ifort
+ OPT =  -O3 -ip -w 
+ FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
+ FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
+ FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
+ FFLAGSE = -c -w -O3 -ipo -ipo_obj  -opt_report ...
+ LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...
+ ARCH = LINUX
+ PP = /lib/cpp -P
+ object = unres.o arcos.o cartprint.o chainbuild...
+ GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ...
+ GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP...
+ E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR...
+ E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort...
+ ++++ End of compile info ++++
+
+Potential is GB , exponents are   6 12
+
+Disulfide bridge parameters:
+S-S bridge energy:      -5.50
+d0cm:      3.78 akcm:     15.10
+akth:     11.00 akct:     12.00
+v1ss:     -1.08 v2ss:      7.61 v3ss:     13.70
+ MPI: node=            0  iseed(4)=            0           0         -16
+      -62756
+ ran_num  6.422640197456531E-013
+RMSDBC =        3.0
+RMSDBC1 =        0.5
+RMSDBC1MAX =        1.5
+DRMS    =        0.1
+RMSDBCM =        3.0
+Time limit (min):     960.0
+ RESCALE_MODE           2
+Library  routine used to diagonalize matrices.
+
+********************************************************************************
+                    Options in energy minimization:
+********************************************************************************
+MaxMin: 2000 MaxFun: 5000MinMin: 2000 MinFun: 2000 TolF:   1.00000E-02 RTolF:   1.00000E-04
+
+Energy-term weights (unscaled):
+
+WSCC=     1.000000 (SC-SC)
+WSCP=     2.794050 (SC-p)
+WELEC=    0.145810 (p-p electr)
+WVDWPP=   0.145810 (p-p VDW)
+WBOND=    1.000000 (stretching)
+WANG=     1.956840 (bending)
+WSCLOC=   0.170100 (SC local)
+WTOR=     2.046980 (torsional)
+WTORD=    1.696240 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  1.218370 (multi-body 3-rd order)
+WCORR4=   1.846150 (multi-body 4th order)
+WCORR5=   0.027300 (multi-body 5th order)
+WCORR6=   0.007410 (multi-body 6th order)
+WSCCOR=   1.000000 (back-scloc correlation)
+WTURN3=   2.913860 (turns, 3rd order)
+WTURN4=   0.731780 (turns, 4th order)
+WTURN6=   0.023910 (turns, 6th order)
+
+Hydrogen-bonding correlation between contact pairs of peptide groups
+
+Scaling factor of 1,4 SC-p interactions:   0.400
+General scaling factor of SC-p interactions:   1.000
+
+Energy-term weights (scaled):
+
+WSCC=     1.000000 (SC-SC)
+WSCP=     2.794050 (SC-p)
+WELEC=    0.145810 (p-p electr)
+WVDWPP=   0.145810 (p-p VDW)
+WBOND=    1.000000 (stretching)
+WANG=     1.956840 (bending)
+WSCLOC=   0.170100 (SC local)
+WTOR=     2.046980 (torsional)
+WTORD=    1.696240 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  1.218370 (multi-body 3-rd order)
+WCORR4=   1.846150 (multi-body 4th order)
+WCORR5=   0.027300 (multi-body 5th order)
+WCORR6=   0.007410 (multi-body 6th order)
+WSCCOR=   1.000000 (back-scloc correlatkion)
+WTURN3=   2.913860 (turns, 3rd order)
+WTURN4=   0.731780 (turns, 4th order)
+WTURN6=   0.023910 (turns, 6th order)
+ Reference temperature for weights calculation:   300.000000000000     
+ Parameters of the SS-bond potential:
+ D0CM   3.78000000000000       AKCM   15.1000000000000       AKTH
+   11.0000000000000       AKCT   12.0000000000000     
+ V1SS  -1.08000000000000       V2SS   7.61000000000000       V3SS
+   13.7000000000000     
+ EBR  -5.50000000000000       SS_DEPTH  -6.90133843152500     
+  HT   3.00000000000000     
+ ITEL
+           1          10           1
+           2           9           1
+           3           9           1
+           4           9           1
+           5           1           1
+           6           9           1
+           7           9           1
+           8           9           1
+           9           9           1
+          10           9           1
+          11           9           1
+          12           9           1
+          13           9           1
+          14           1           1
+          15           9           1
+          16           9           1
+          17           9           1
+ ns=           2  iss:           5          14
+ nss=           1  ihpb,jhpb:            5          14
+Boundaries in phi angle sampling:
+GLY    1    -180.0     180.0
+ALA    2    -180.0     180.0
+ALA    3    -180.0     180.0
+ALA    4    -180.0     180.0
+CYS    5    -180.0     180.0
+ALA    6    -180.0     180.0
+ALA    7    -180.0     180.0
+ALA    8    -180.0     180.0
+ALA    9    -180.0     180.0
+ALA   10    -180.0     180.0
+ALA   11    -180.0     180.0
+ALA   12    -180.0     180.0
+ALA   13    -180.0     180.0
+CYS   14    -180.0     180.0
+ALA   15    -180.0     180.0
+ALA   16    -180.0     180.0
+ALA   17    -180.0     180.0
+GLY   18    -180.0     180.0
+ NZ_START=           1  NZ_END=          18
+ IZ_SC=           0
+ Processor           0  CG group           0  absolute rank           0  nhpb
+           1  link_start=           1  link_end           1
+Initial geometry will be read in.
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.800     0.000     0.000     0.743   110.000  -120.000
+ALA   3     3.800    90.000     0.000     0.743   110.000  -120.000
+ALA   4     3.800    90.000   180.000     0.743   110.000  -120.000
+CYS   5     3.800    90.000   180.000     1.237   100.000  -120.000
+ALA   6     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA   7     3.800    90.000   180.000     0.743   100.000  -120.000
+ALA   8     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA   9     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  10     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  11     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  12     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  13     3.800    90.000   180.000     0.743   100.000  -120.000
+CYS  14     3.800    90.000   180.000     1.237   110.000  -120.000
+ALA  15     3.800    90.000   180.000     0.743   100.000  -120.000
+ALA  16     3.800    90.000   180.000     0.743   110.000  -120.000
+ALA  17     3.800    90.000   180.000     0.743   110.000  -120.000
+GLY  18     3.800    90.000   180.000     0.000     0.000     0.000
+
+The chain contains  2 disulfide-bridging cysteines.
+   5  14
+
+Pre-formed links are:
+
+CYS(  5) -- CYS( 14)     0.000    -5.500     0.000
+
+
+
+********************************************************************************
+                    Processor   0: end reading molecular data.
+********************************************************************************
+
+
+Energy evaluation or minimization calculation.
+
+Conformations will be energy-minimized.
+********************************************************************************
+
+ Time for energy evaluation  0.000000000000000E+000
+
+Virtual-chain energies:
+
+EVDW=     -1.784016E+01 WEIGHT=    1.000000E+00 (SC-SC)
+EVDW2=     2.118779E+01 WEIGHT=    2.794050E+00 (SC-p)
+EES=      -8.122745E+00 WEIGHT=    1.458100E-01 (p-p)
+EVDWPP=   -2.540621E+01 WEIGHT=    1.458100E-01 (p-p VDW)
+ESTR=      4.237046E-27 WEIGHT=    1.000000E+00 (stretching)
+EBE=      -1.185178E+00 WEIGHT=    1.956840E+00 (bending)
+ESC=       1.520408E+02 WEIGHT=    1.701000E-01 (SC local)
+ETORS=     0.000000E+00 WEIGHT=    2.046980E+00 (torsional)
+ETORSD=   -2.194244E+00 WEIGHT=    1.696240E+00 (double torsional)
+EHPB=      7.073396E+03 WEIGHT=    1.000000E+00 (SS bridges & dist. cnstr.)
+ECORR4=   -5.324225E+00 WEIGHT=    1.846150E+00 (multi-body)
+ECORR5=    2.317900E+01 WEIGHT=    2.730000E-02 (multi-body)
+ECORR6=    1.215220E+01 WEIGHT=    7.410000E-03 (multi-body)
+EELLO=     3.759544E+01 WEIGHT=    1.218370E+00 (electrostatic-local)
+ETURN3=   -3.193381E+00 WEIGHT=    2.913860E+00 (turns, 3rd order)
+ETURN4=    1.424793E+01 WEIGHT=    7.317800E-01 (turns, 4th order)
+ETURN6=    0.000000E+00 WEIGHT=    2.391000E-02 (turns, 6th order)
+ESCCOR=    7.779132E+00 WEIGHT=    1.000000E+00 (backbone-rotamer corr)
+EDIHC=     0.000000E+00 (dihedral angle constraints)
+ESS=      -5.500000E+00 (disulfide-bridge intrinsic energy)
+UCONST=     0.000000E+00 (Constraint energy)
+ETOT=      7.175287E+03 (total)
+PP contact map:
+  1  GLY   1  ALA   3
+  2  ALA   2  ALA   4
+  3  ALA   3  CYS   5
+  4  ALA   4  ALA   6
+  5  CYS   5  ALA   7
+  6  ALA   6  ALA   8
+  7  ALA   7  ALA   9
+  8  ALA   8  ALA  10
+  9  ALA   9  ALA  11
+ 10  ALA  10  ALA  12
+ 11  ALA  11  ALA  13
+ 12  ALA  12  CYS  14
+ 13  ALA  13  ALA  15
+ 14  CYS  14  ALA  16
+ 15  ALA  15  ALA  17
+ Hairpins:
+Constants of electrostatic interaction energy expression.
+ 1 1     0.7659E+08    -0.1823E+05    -0.1306E+04     0.3727E+01
+ 1 2     0.4245E+08    -0.9703E+04    -0.1129E+04     0.0000E+00
+ 2 1     0.4245E+08    -0.9703E+04    -0.1129E+04     0.0000E+00
+ 2 2     0.6367E+08    -0.1565E+05    -0.3348E+03     0.5127E+01
+ Total average electrostatic energy:   -1.65572537591651     
+ VDW energy between peptide-group centers:   -10.4984841780933     
+ 
+ Electrostatic contacts before pruning: 
+ 
+ Electrostatic contacts after pruning: 
+ UNRES seq:
+ SC_move        1120  -13.8122160409231     
+PP contact map:
+  1  ALA   4  ALA   6
+  2  CYS   5  ALA   7
+  3  ALA   6  ALA   8
+  4  ALA   7  ALA   9
+  5  ALA   8  ALA  10
+  6  ALA  10  ALA  12
+  7  ALA  13  ALA  15
+ Hairpins:
+Constants of electrostatic interaction energy expression.
+ 1 1     0.7659E+08    -0.1823E+05    -0.1306E+04     0.3727E+01
+ 1 2     0.4245E+08    -0.9703E+04    -0.1129E+04     0.0000E+00
+ 2 1     0.4245E+08    -0.9703E+04    -0.1129E+04     0.0000E+00
+ 2 2     0.6367E+08    -0.1565E+05    -0.3348E+03     0.5127E+01
+ Total average electrostatic energy:   -2.87145783452203     
+ VDW energy between peptide-group centers:   -10.1835884388674     
+ 
+ Electrostatic contacts before pruning: 
+  1  ALA   4  ALA   6  -0.50110
+ 
+ Electrostatic contacts after pruning: 
+  1  ALA   4  ALA   6  -0.50110
+ UNRES seq:
+
+Virtual-chain energies:
+
+EVDW=     -3.188825E+01 WEIGHT=    1.000000E+00 (SC-SC)
+EVDW2=     1.572209E+01 WEIGHT=    2.794050E+00 (SC-p)
+EES=      -1.623973E+01 WEIGHT=    1.458100E-01 (p-p)
+EVDWPP=   -2.410152E+01 WEIGHT=    1.458100E-01 (p-p VDW)
+ESTR=      1.688850E-01 WEIGHT=    1.000000E+00 (stretching)
+EBE=      -1.848625E+01 WEIGHT=    1.956840E+00 (bending)
+ESC=      -5.330904E+00 WEIGHT=    1.701000E-01 (SC local)
+ETORS=     1.003218E+01 WEIGHT=    2.046980E+00 (torsional)
+ETORSD=    4.005547E-02 WEIGHT=    1.696240E+00 (double torsional)
+EHPB=     -1.187647E+01 WEIGHT=    1.000000E+00 (SS bridges & dist. cnstr.)
+ECORR4=   -1.168188E+01 WEIGHT=    1.846150E+00 (multi-body)
+ECORR5=    6.877311E+00 WEIGHT=    2.730000E-02 (multi-body)
+ECORR6=    2.150591E+01 WEIGHT=    7.410000E-03 (multi-body)
+EELLO=     4.572045E+00 WEIGHT=    1.218370E+00 (electrostatic-local)
+ETURN3=    6.204726E+00 WEIGHT=    2.913860E+00 (turns, 3rd order)
+ETURN4=    6.693131E+00 WEIGHT=    7.317800E-01 (turns, 4th order)
+ETURN6=   -2.421073E-01 WEIGHT=    2.391000E-02 (turns, 6th order)
+ESCCOR=   -1.545899E+01 WEIGHT=    1.000000E+00 (backbone-rotamer corr)
+EDIHC=     0.000000E+00 (dihedral angle constraints)
+ESS=      -5.500000E+00 (disulfide-bridge intrinsic energy)
+UCONST=     0.000000E+00 (Constraint energy)
+ETOT=     -3.016362E+01 (total)
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.802     0.000     0.000     0.742   131.239   -75.726
+ALA   3     3.807    94.222     0.000     0.742   132.313   -78.742
+ALA   4     3.802   126.490  -165.860     0.743   159.389   -84.704
+CYS   5     3.804   126.244   -83.777     1.237   133.758   -88.250
+ALA   6     3.803    93.779  -152.942     0.742   129.396   -78.021
+ALA   7     3.809    91.725    76.612     0.742   131.254   -77.909
+ALA   8     3.804    93.084    81.337     0.741   136.392  -105.856
+ALA   9     3.803   110.117   -98.088     0.742   139.402  -104.794
+ALA  10     3.802   106.661    88.380     0.742   166.703   -78.071
+ALA  11     3.801   125.157    83.555     0.741   127.223   -75.814
+ALA  12     3.812    92.065   175.242     0.742   143.680   -92.666
+ALA  13     3.801   121.336    81.849     0.741   167.362   -82.468
+CYS  14     3.804   124.257   -82.716     1.239   129.965  -104.400
+ALA  15     3.815    95.234  -174.358     0.745   144.535   -81.193
+ALA  16     3.802   130.505    87.291     0.741   164.523   -79.826
+ALA  17     3.804   128.136   -95.560     0.742   129.422   -76.024
+GLY  18     3.808    93.035  -166.188     0.000   180.000   180.000
+SUMSL return code:  4
+# of energy evaluations:                 952
+# of energy evaluations/sec:        1457.820
+CG processor   0 is finishing work.
+ Total wall clock time  0.726562500000000       sec
diff --git a/examples/unres/new/MD/DYN_SS/ss/min/small_GB000.int b/examples/unres/new/MD/DYN_SS/ss/min/small_GB000.int
new file mode 100644
index 0000000..1e31d98
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/ss/min/small_GB000.int
@@ -0,0 +1,9 @@
+    0     -30.164 1  23 32
+   94.2219  126.4898  126.2438   93.7788   91.7249   93.0837  110.1165  106.6607
+  125.1575   92.0650  121.3357  124.2571   95.2345  130.5054  128.1360   93.0353
+ -165.8597  -83.7767 -152.9424   76.6120   81.3368  -98.0882   88.3802   83.5550
+  175.2420   81.8485  -82.7157 -174.3585   87.2913  -95.5596 -166.1878
+  131.2386  132.3133  159.3888  133.7583  129.3963  131.2540  136.3920  139.4020
+  166.7033  127.2227  143.6798  167.3618  129.9654  144.5352  164.5225  129.4223
+  -75.7255  -78.7421  -84.7043  -88.2502  -78.0209  -77.9090 -105.8559 -104.7940
+  -78.0708  -75.8135  -92.6663  -82.4680 -104.3999  -81.1931  -79.8257  -76.0235
diff --git a/examples/unres/new/MD/DYN_SS/ss/min/small_GB000.mol2 b/examples/unres/new/MD/DYN_SS/ss/min/small_GB000.mol2
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/ss/min/small_GB000.pdb b/examples/unres/new/MD/DYN_SS/ss/min/small_GB000.pdb
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/ss/min/small_GB000.stat b/examples/unres/new/MD/DYN_SS/ss/min/small_GB000.stat
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/ss/min/unres_eval.csh b/examples/unres/new/MD/DYN_SS/ss/min/unres_eval.csh
new file mode 100755
index 0000000..787be7f
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/ss/min/unres_eval.csh
@@ -0,0 +1,24 @@
+#!/bin/csh
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX small
+setenv OUT1FILE NO
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN /users/czarek/UNRES/GIT/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+#-----------------------------------------------------------------------------
+setenv DD /users/czarek/UNRES/GIT/unres/PARAM
+setenv BONDPAR $DD/bond.parm
+setenv THETPAR $DD/thetaml.5parm
+setenv ROTPAR $DD/scgauss.parm
+setenv TORPAR $DD/torsion_631Gdp.parm
+setenv TORDPAR $DD/torsion_double_631Gdp.parm
+setenv ELEPAR $DD/electr_631Gdp.parm
+setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
+setenv SCPPAR $DD/scp.parm
+setenv PATTERN $DD/patterns.cart
+setenv PRINT_PARM NO
+#-----------------------------------------------------------------------------
+
+$UNRES_BIN $*
diff --git a/examples/unres/new/MD/DYN_SS/ss/test/small.inp b/examples/unres/new/MD/DYN_SS/ss/test/small.inp
new file mode 100644
index 0000000..84a5fc1
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/ss/test/small.inp
@@ -0,0 +1,14 @@
+small
+SEED=-1111333 MD ONE_LETTER pdbstart UNRES_PDB 
+nstep=500    dt=0.1 ntwe=1     ntwx=300   lang=0 tbf tau_bath=1.0 t_bath=300   &
+reset_moment=1000 reset_vel=0 damax=5.0 eq_time=1000 MDPDB  PRINT_COMPON rest  &
+
+WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
+WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
+WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
+WVDWPP=0.11371 WHPB=1.00000                                                    &
+CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0 
+ss.pdb
+2 5 14
+1 5 14
+ 0
diff --git a/examples/unres/new/MD/DYN_SS/ss/test/small.intin b/examples/unres/new/MD/DYN_SS/ss/test/small.intin
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/ss/test/small.out_GB000 b/examples/unres/new/MD/DYN_SS/ss/test/small.out_GB000
new file mode 100644
index 0000000..a87856c
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/ss/test/small.out_GB000
@@ -0,0 +1,400 @@
+--------------------------------------------------------------------------------
+                              FILE ASSIGNMENT
+--------------------------------------------------------------------------------
+ Input file                      : small.inp
+ Output file                     : small.out_GB000
+ 
+ Sidechain potential file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-
+ 10-8k
+ SCp potential file              : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm
+ Electrostatic potential file    : 
+ /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm
+ Cumulant coefficient file       : 
+ /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ Torsional parameter file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm
+ Double torsional parameter file : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/czarek/UNRES/GIT/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm
+ Bending parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm
+ Rotamer parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm
+ Threading database              : 
+ /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart
+--------------------------------------------------------------------------------
+********************************************************************************
+United-residue force field calculation - parallel job.
+********************************************************************************
+ ### LAST MODIFIED  03/28/12 23:29 by czarek
+ ++++ Compile info ++++
+ Version 3.1 build 41
+ compiled Fri Feb 15 01:43:03 2013
+ compiled by czarek@piasek3
+ OS name:    Linux 
+ OS release: 2.6.32-42-generic 
+ OS version: #96-Ubuntu SMP Wed Aug 15 19:37:37 UTC 2012 
+ flags:
+ INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
+ FC= ifort
+ OPT =  -O3 -ip -w 
+ FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
+ FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
+ FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
+ FFLAGSE = -c -w -O3 -ipo -ipo_obj  -opt_report ...
+ LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...
+ ARCH = LINUX
+ PP = /lib/cpp -P
+ object = unres.o arcos.o cartprint.o chainbuild...
+ GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ...
+ GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP...
+ E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR...
+ E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort...
+ ++++ End of compile info ++++
+
+Potential is GB , exponents are   6 12
+
+Disulfide bridge parameters:
+S-S bridge energy:      -5.50
+d0cm:      3.78 akcm:     15.10
+akth:     11.00 akct:     12.00
+v1ss:     -1.08 v2ss:      7.61 v3ss:     13.70
+ MPI: node=            0  iseed(4)=            0           0         -16
+      -62756
+ ran_num  6.422640197456531E-013
+RMSDBC =        3.0
+RMSDBC1 =        0.5
+RMSDBC1MAX =        1.5
+DRMS    =        0.1
+RMSDBCM =        3.0
+Time limit (min):     960.0
+ RESCALE_MODE           2
+Library  routine used to diagonalize matrices.
+ 
+=========================== Parameters of the MD run ===========================
+ 
+The units are:
+positions: angstrom, time: 48.9 fs
+velocity: angstrom/(48.9 fs), acceleration: angstrom/(48.9 fs)**2
+energy: kcal/mol, temperature: K
+ 
+                                       Number of time steps:       500
+                 Initial time step of numerical integration:   0.10000 natural units
+                                                               4.89000 fs
+Maximum acceleration threshold to reduce the time step/increase split number:   5.00000
+Maximum predicted energy drift to reduce the timestep/increase split number:  10.00000
+            Maximum velocity threshold to reduce velocities:  20.00000
+                               Frequency of property output:         1
+                             Frequency of coordinate output:       300
+Berendsen bath calculation
+                                                Temperature: 300.00000
+                                    Coupling constant (tau):   1.00000
+Momenta will be reset at zero every      1000 steps
+
+===== Calculation restarted ====
+
+
+============================== End of MD run setup =============================
+
+
+Energy-term weights (unscaled):
+
+WSCC=     1.352790 (SC-SC)
+WSCP=     1.593040 (SC-p)
+WELEC=    0.715340 (p-p electr)
+WVDWPP=   0.113710 (p-p VDW)
+WBOND=    1.000000 (stretching)
+WANG=     1.138730 (bending)
+WSCLOC=   0.162580 (SC local)
+WTOR=     1.985990 (torsional)
+WTORD=    1.570690 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  0.160360 (multi-body 3-rd order)
+WCORR4=   0.428870 (multi-body 4th order)
+WCORR5=   0.000000 (multi-body 5th order)
+WCORR6=   0.000000 (multi-body 6th order)
+WSCCOR=   0.000000 (back-scloc correlation)
+WTURN3=   1.687220 (turns, 3rd order)
+WTURN4=   0.662300 (turns, 4th order)
+WTURN6=   0.000000 (turns, 6th order)
+
+Hydrogen-bonding correlation between contact pairs of peptide groups
+
+Scaling factor of 1,4 SC-p interactions:   0.400
+General scaling factor of SC-p interactions:   1.000
+
+Energy-term weights (scaled):
+
+WSCC=     1.352790 (SC-SC)
+WSCP=     1.593040 (SC-p)
+WELEC=    0.715340 (p-p electr)
+WVDWPP=   0.113710 (p-p VDW)
+WBOND=    1.000000 (stretching)
+WANG=     1.138730 (bending)
+WSCLOC=   0.162580 (SC local)
+WTOR=     1.985990 (torsional)
+WTORD=    1.570690 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  0.160360 (multi-body 3-rd order)
+WCORR4=   0.428870 (multi-body 4th order)
+WCORR5=   0.000000 (multi-body 5th order)
+WCORR6=   0.000000 (multi-body 6th order)
+WSCCOR=   0.000000 (back-scloc correlatkion)
+WTURN3=   1.687220 (turns, 3rd order)
+WTURN4=   0.662300 (turns, 4th order)
+WTURN6=   0.000000 (turns, 6th order)
+ Reference temperature for weights calculation:   300.000000000000     
+ Parameters of the SS-bond potential:
+ D0CM   3.78000000000000       AKCM   15.1000000000000       AKTH
+   11.0000000000000       AKCT   12.0000000000000     
+ V1SS  -1.08000000000000       V2SS   7.61000000000000       V3SS
+   13.7000000000000     
+ EBR  -5.50000000000000       SS_DEPTH  -7.39571661678271     
+  HT  0.000000000000000E+000
+PDB data will be read from file ss.pdb
+ Nres:    18
+Backbone and SC coordinates as read from the PDB
+  1 10  GLY  18.887 -10.163 -10.608       18.887 -10.163 -10.608
+  2  9  ALA  18.562  -9.885  -6.834       18.353  -9.134  -6.608
+  3  9  ALA  16.754 -11.361  -3.915       16.860 -12.098  -3.836
+  4  9  ALA  16.762  -9.897  -0.433       16.145  -9.572  -0.328
+  5  1  CYS  15.755 -12.524   2.082       16.051 -13.633   1.487
+  6  9  ALA  15.104 -12.916   5.816       14.965 -12.382   6.257
+  7  9  ALA  12.233 -15.298   5.159       11.752 -15.096   4.590
+  8  9  ALA  12.615 -18.906   4.131       12.996 -18.890   4.861
+  9  9  ALA   9.909 -21.356   3.181        9.333 -20.985   3.212
+ 10  9  ALA  10.743 -20.954  -0.478       10.850 -20.324  -0.915
+ 11  9  ALA  12.566 -23.869  -1.971       12.731 -24.062  -2.616
+ 12  9  ALA  15.810 -21.927  -1.726       15.774 -21.687  -2.426
+ 13  9  ALA  18.582 -20.075   0.198       19.150 -20.569   0.255
+ 14  1  CYS  19.577 -16.394  -0.296       18.494 -15.682  -0.508
+ 15  9  ALA  22.406 -14.224   1.116       23.137 -14.120   1.199
+ 16  9  ALA  22.651 -10.366   0.632       22.481  -9.688   0.945
+ 17  9  ALA  25.991  -8.590   0.178       26.589  -8.669   0.306
+ 18 10  GLY  26.757  -7.435  -3.316       26.757  -7.435  -3.316
+nsup= 18 nstart_sup=  1
+ After sideadd
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.798     0.000     0.000     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
+GLY  18     3.759   115.636   105.386     0.000     0.000     0.000
+ ITEL
+           1          10           1
+           2           9           1
+           3           9           1
+           4           9           1
+           5           1           1
+           6           9           1
+           7           9           1
+           8           9           1
+           9           9           1
+          10           9           1
+          11           9           1
+          12           9           1
+          13           9           1
+          14           1           1
+          15           9           1
+          16           9           1
+          17           9           1
+ ns=           2  iss:           5          14
+ nss=           1  ihpb,jhpb:            5          14
+Boundaries in phi angle sampling:
+GLY    1    -180.0     180.0
+ALA    2    -180.0     180.0
+ALA    3    -180.0     180.0
+ALA    4    -180.0     180.0
+CYS    5    -180.0     180.0
+ALA    6    -180.0     180.0
+ALA    7    -180.0     180.0
+ALA    8    -180.0     180.0
+ALA    9    -180.0     180.0
+ALA   10    -180.0     180.0
+ALA   11    -180.0     180.0
+ALA   12    -180.0     180.0
+ALA   13    -180.0     180.0
+CYS   14    -180.0     180.0
+ALA   15    -180.0     180.0
+ALA   16    -180.0     180.0
+ALA   17    -180.0     180.0
+GLY   18    -180.0     180.0
+ NZ_START=           1  NZ_END=          18
+ IZ_SC=           0
+ Processor           0  CG group           0  absolute rank           0  nhpb
+           1  link_start=           1  link_end           1
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.798     0.000     0.000     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
+GLY  18     3.759   115.636   105.386     0.000     0.000     0.000
+
+The chain contains  2 disulfide-bridging cysteines.
+   5  14
+
+Pre-formed links are:
+
+CYS(  5) -- CYS( 14)     0.000    -5.500     0.000
+
+
+
+********************************************************************************
+                    Processor   0: end reading molecular data.
+********************************************************************************
+
+
+Mesoscopic molecular dynamics (MD) calculation.
+
+********************************************************************************
+
+ Calling chainbuild
+====================MD calculation start====================
+ File small_000.rst does not exist
+ Initial velocities randomly generated
+ Initial velocities
+  0   0.33890   0.02320   0.23659      0.00000   0.00000   0.00000
+  1  -0.15077  -0.23023  -0.18811      0.00000   0.00000   0.00000
+  2  -0.14850   0.36395   0.17819     -0.06593   0.14268   0.01033
+  3  -0.01216  -0.31272  -0.40265     -0.27199   0.03880  -0.26248
+  4   0.13139   0.25689   0.25345     -0.06906   0.09806   0.19560
+  5  -0.27858  -0.01261   0.04461     -0.15425  -0.01325  -0.02214
+  6   0.09914   0.11979   0.14915     -0.11171  -0.17646  -0.10207
+  7  -0.15740  -0.32760  -0.08342     -0.15559  -0.17162  -0.27142
+  8  -0.01757   0.19689  -0.31981     -0.04208   0.07236  -0.23178
+  9   0.29843  -0.21826   0.12725      0.01235  -0.10442  -0.18484
+ 10  -0.35680   0.17980  -0.11210     -0.00509  -0.02006   0.01600
+ 11   0.42311  -0.07463   0.22371      0.30508  -0.03813   0.04260
+ 12  -0.28440  -0.17000  -0.23671     -0.06923  -0.11283  -0.12729
+ 13   0.12013   0.21611   0.14782      0.07641   0.09993   0.18719
+ 14   0.15808   0.02556  -0.12952     -0.10167  -0.08786  -0.15044
+ 15  -0.16543  -0.08643   0.20762      0.03124  -0.00978   0.12744
+ 16   0.07008   0.14536  -0.28387      0.01006   0.26396  -0.15863
+ 17  -0.12394  -0.22493   0.30015     -0.38318  -0.15223   0.30217
+ 18   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
+ Calling the zero-angular  momentum subroutine
+ vcm right after adjustment:
+ -1.942234132913985E-017 -2.274688624133496E-018 -1.784755689704743E-017
+
+
+              alpha-carbon coordinates            centroid coordinates
+             X           Y           Z          X           Y           Z
+GLY(  1)     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+ALA(  2)     3.79816     0.00000     0.00000     4.09557     0.41221     0.63276
+ALA(  3)     6.74526    -2.29838     0.00000     6.76075    -2.76877    -0.58236
+ALA(  4)    10.31159    -1.20121     0.58755    10.49251    -1.37922     1.24552
+CYS(  5)    12.70448    -3.80621    -0.72715    12.00677    -4.42453    -1.62291
+ALA(  6)    16.44175    -4.52019    -0.93521    16.93092    -4.21944    -0.52386
+ALA(  7)    15.86025    -8.21957    -0.36540    15.35081    -8.39881     0.18621
+ALA(  8)    14.54201   -10.62082    -2.95704    15.23594   -10.34816    -3.30696
+ALA(  9)    13.65028   -14.25975    -2.52064    13.75752   -14.37646    -1.85337
+ALA( 10)     9.97261   -13.41422    -2.44808     9.57534   -12.87986    -2.05316
+ALA( 11)     8.11976   -14.33184    -5.57450     7.45061   -14.36484    -5.75243
+ALA( 12)     8.22776   -10.70552    -6.66675     7.55286   -10.55609    -6.40015
+ALA( 13)    10.03788    -7.45810    -7.66343    10.00976    -7.43698    -8.41753
+CYS( 14)     9.73131    -4.07719    -5.85807     9.66544    -4.28710    -4.56332
+ALA( 15)    11.05109    -0.55921    -6.62480    11.07862     0.01250    -7.09856
+ALA( 16)    10.83158     2.44432    -4.15315    11.20676     2.82955    -3.60782
+ALA( 17)    10.22466     6.01060    -5.34864    10.29490     6.35777    -5.85338
+GLY( 18)     6.77188     7.36501    -4.73819     6.77188     7.36501    -4.73819
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.798     0.000     0.000     0.812   126.829   -76.902
+ALA   3     3.737   142.050     0.000     0.749   137.463   -84.306
+ALA   4     3.777   124.464  -169.125     0.705   105.294   -78.108
+CYS   5     3.774   110.120  -160.528     1.293   158.619  -104.565
+ALA   6     3.811   140.379  -177.281     0.706   135.838   -82.329
+ALA   7     3.788    91.388   142.499     0.772   126.337   -76.931
+ALA   8     3.771   124.902    75.891     0.824   113.900  -118.360
+ALA   9     3.772   128.130  -174.931     0.686   107.064   -87.141
+ALA  10     3.774    90.943   102.826     0.774   157.826   -59.303
+ALA  11     3.748   114.254   105.902     0.693   119.632   -54.909
+ALA  12     3.789    89.544  -101.667     0.741   155.157  -110.619
+ALA  13     3.849   153.580    60.970     0.755   140.632   -99.009
+CYS  14     3.845   125.646  -120.233     1.313   150.049   -92.166
+ALA  15     3.835   133.262  -173.688     0.743   134.737   -34.633
+ALA  16     3.896   124.125  -171.229     0.766   131.592   -41.437
+ALA  17     3.810   122.109  -144.160     0.617   138.711   -49.120
+GLY  18     3.759   115.636   105.386     0.000   180.000   180.000
+ Potential energy and its components
+
+Virtual-chain energies:
+
+EVDW=     -2.922994E+01 WEIGHT=    1.352790E+00 (SC-SC)
+EVDW2=     1.284609E+01 WEIGHT=    1.593040E+00 (SC-p)
+EES=      -1.045287E+01 WEIGHT=    7.153400E-01 (p-p)
+EVDWPP=   -2.004779E+01 WEIGHT=    1.137100E-01 (p-p VDW)
+ESTR=      1.857136E+01 WEIGHT=    1.000000E+00 (stretching)
+EBE=      -1.634855E+01 WEIGHT=    1.138730E+00 (bending)
+ESC=       5.355337E+01 WEIGHT=    1.625800E-01 (SC local)
+ETORS=     8.666828E+00 WEIGHT=    1.985990E+00 (torsional)
+ETORSD=   -6.630800E-01 WEIGHT=    1.570690E+00 (double torsional)
+EHPB=     -1.208519E+01 WEIGHT=    1.000000E+00 (SS bridges & dist. cnstr.)
+ECORR4=   -8.168927E+00 WEIGHT=    4.288700E-01 (multi-body)
+ECORR5=    0.000000E+00 WEIGHT=    0.000000E+00 (multi-body)
+ECORR6=    0.000000E+00 WEIGHT=    0.000000E+00 (multi-body)
+EELLO=     1.099339E+01 WEIGHT=    1.603600E-01 (electrostatic-local)
+ETURN3=    4.828306E+00 WEIGHT=    1.687220E+00 (turns, 3rd order)
+ETURN4=    7.195922E+00 WEIGHT=    6.623000E-01 (turns, 4th order)
+ETURN6=    0.000000E+00 WEIGHT=    0.000000E+00 (turns, 6th order)
+ESCCOR=    0.000000E+00 WEIGHT=    0.000000E+00 (backbone-rotamer corr)
+EDIHC=     0.000000E+00 (dihedral angle constraints)
+ESS=      -5.500000E+00 (disulfide-bridge intrinsic energy)
+UCONST=     0.000000E+00 (Constraint energy)
+ETOT=     -4.915833E+00 (total)
+
+Initial:
+           Kinetic energy   3.03426E+01
+         potential energy  -4.91583E+00
+             total energy   2.54268E+01
+
+    maximum acceleration    2.53291E+00
+
+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    1.17188E-02
+           Energy & gradient evaluation:    1.13281E-01
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    1.30078E+00
+
+
+============================  End of MD calculation  ===========================
+CG processor   0 is finishing work.
+ Total wall clock time   1.33984375000000       sec
diff --git a/examples/unres/new/MD/DYN_SS/ss/test/small_000.rst b/examples/unres/new/MD/DYN_SS/ss/test/small_000.rst
new file mode 100644
index 0000000..12c999b
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/ss/test/small_000.rst
@@ -0,0 +1,74 @@
+   49.4875000000004        30.9142813810163       -25.0175995599212     
+   5.89668182109504        300.000000000000     
+   -0.27248E+00    0.40809E+00   -0.81823E-01
+   -0.21012E+00   -0.47583E+00    0.37072E-01
+    0.26421E+00    0.57698E-01    0.63238E-01
+   -0.88776E-01   -0.13223E+00    0.44004E-01
+    0.11234E+00    0.13919E-01   -0.17569E+00
+   -0.15586E+00    0.34037E-01   -0.10928E+00
+    0.23779E+00    0.23209E+00    0.15068E+00
+   -0.19063E+00   -0.44629E-01   -0.81595E-01
+   -0.40813E-01   -0.51682E-01    0.18249E+00
+    0.24932E+00   -0.37537E-01    0.26668E+00
+   -0.11184E+00    0.16340E+00   -0.43232E+00
+   -0.20466E+00   -0.54912E-01    0.13830E+00
+    0.12359E+00   -0.27606E+00   -0.18972E-01
+   -0.68508E-01   -0.97668E-02    0.11634E+00
+   -0.56226E-01    0.99183E-01   -0.25532E+00
+    0.20993E+00    0.19754E-01    0.20060E+00
+    0.20216E-01    0.44549E-01   -0.21696E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.79323E-01   -0.54593E+00    0.30230E-01
+    0.33070E+00   -0.10748E-01    0.18677E-02
+    0.28116E-01   -0.19111E+00    0.12297E-01
+    0.41551E-01    0.12592E+00    0.86390E-01
+   -0.30163E+00    0.69309E-02    0.24242E-01
+   -0.39703E-01    0.67354E-03    0.33479E+00
+   -0.81467E-01   -0.84779E-01    0.18364E-01
+    0.27932E+00    0.45682E-01   -0.76027E-01
+    0.67559E-01   -0.17977E+00    0.23296E-01
+    0.63238E-01   -0.81077E-01   -0.30217E+00
+   -0.35922E-02   -0.32633E+00    0.41372E-01
+    0.55593E-01   -0.17744E+00    0.15688E+00
+    0.42310E-01   -0.52047E-01   -0.10115E+00
+   -0.14881E-01    0.45082E+00   -0.24394E-01
+    0.31823E-01   -0.47700E-01    0.23989E+00
+    0.31254E-01    0.21495E+00   -0.64400E-02
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.80641E+00   -0.24881E+01   -0.27843E+01
+    0.70533E+00   -0.36928E+01    0.36789E+00
+    0.37353E+01   -0.70399E+00    0.13157E+00
+    0.15319E+01   -0.34701E+01   -0.68584E+00
+    0.30400E+01   -0.92460E+00   -0.19752E+01
+    0.39416E+00   -0.31252E+01    0.20674E+01
+   -0.28216E+01   -0.15614E+01   -0.19751E+01
+    0.21359E+01   -0.13504E+00   -0.30941E+01
+   -0.96030E+00   -0.36668E+01   -0.45519E+00
+   -0.20319E+01    0.11502E+01   -0.29418E+01
+   -0.22402E+01    0.21940E+01    0.21397E+01
+    0.18673E+01    0.32720E+01   -0.15199E+00
+   -0.16734E+01    0.31375E+01    0.13775E+01
+    0.17407E+01    0.33281E+01   -0.31152E+00
+   -0.14302E+01    0.34622E+01    0.31864E+00
+    0.87890E-01    0.24327E+01   -0.28766E+01
+   -0.68956E+00    0.33434E+01    0.16472E+01
+    0.26757E+02   -0.74350E+01   -0.33160E+01
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.26336E+00   -0.22134E+00   -0.58353E+00
+    0.23118E+00   -0.45355E+00   -0.55301E+00
+    0.36126E+00    0.40610E+00    0.54776E+00
+   -0.90532E+00   -0.44360E+00   -0.68389E+00
+    0.33003E+00    0.69616E+00    0.10683E+00
+    0.34160E+00   -0.47266E-01    0.64955E+00
+   -0.66958E+00    0.27213E+00    0.12238E+00
+    0.60120E+00   -0.37663E+00   -0.39965E-01
+   -0.16326E+00   -0.37948E+00    0.62673E+00
+   -0.52778E+00   -0.16242E+00   -0.52337E+00
+    0.28533E-02    0.24125E+00    0.73001E+00
+    0.27985E+00    0.23220E-01   -0.65163E+00
+    0.61393E+00    0.81345E-01    0.11115E+01
+    0.51155E+00   -0.14803E+00   -0.51477E+00
+    0.67669E-01    0.47796E+00    0.62097E+00
+   -0.57033E+00   -0.13259E+00   -0.46339E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
diff --git a/examples/unres/new/MD/DYN_SS/ss/test/small_GB000.int b/examples/unres/new/MD/DYN_SS/ss/test/small_GB000.int
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/ss/test/small_GB000.mol2 b/examples/unres/new/MD/DYN_SS/ss/test/small_GB000.mol2
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/ss/test/small_GB000.pdb b/examples/unres/new/MD/DYN_SS/ss/test/small_GB000.pdb
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/MD/DYN_SS/ss/test/small_GB000.stat b/examples/unres/new/MD/DYN_SS/ss/test/small_GB000.stat
new file mode 100644
index 0000000..9d81d8a
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/ss/test/small_GB000.stat
@@ -0,0 +1,502 @@
+                                                                                                                 #   EVDW SC-SC  EVDW2 SC-p  EES p-p     EBE bend    ESC SCloc   ETORS       ETORSD      ECORR4      ECORR5      ECORR6      EELLO       ETURN3      ETURN4      ETURN6      UCONST      EVDW2_14    EHPB        ESTR        EVDWPP      ESCCOR    
+         0           0.00      30.343      -4.916      25.427       2.533     299.574     300.000       8.016    0      -29.230      12.846     -10.453     -16.349      53.553       8.667      -0.663      -8.169       0.000       0.000      10.993       4.828       7.196       0.000       0.000       0.000     -12.085      18.571     -20.048       0.000
+         1           0.10      26.057      -0.308      25.748       0.957     257.260     300.000       8.013    0      -29.272      12.917     -10.463     -16.218      54.690       8.621      -0.654      -8.171       0.000       0.000      11.111       4.864       7.196       0.000       0.000       0.000     -11.964      22.678     -20.075       0.000
+         2           0.20      27.787      -1.700      26.088       0.674     274.344     300.000       8.010    0      -29.231      12.934     -10.495     -16.083      56.013       8.554      -0.646      -8.191       0.000       0.000      11.216       4.876       7.199       0.000       0.000       0.000     -11.811      20.801     -20.115       0.000
+         3           0.30      33.607      -7.671      25.936       1.168     331.807     300.000       8.006    0      -29.151      12.905     -10.550     -15.998      56.999       8.488      -0.643      -8.225       0.000       0.000      11.278       4.866       7.195       0.000       0.000       0.000     -11.627      14.520     -20.165       0.000
+         4           0.40      37.530     -12.167      25.363       1.271     370.538     300.000       8.003    0      -29.094      12.866     -10.625     -15.928      57.373       8.444      -0.643      -8.272       0.000       0.000      11.282       4.846       7.178       0.000       0.000       0.000     -11.421       9.877     -20.222       0.000
+         5           0.50      36.303     -11.533      24.771       1.658     358.422     300.000       7.999    0      -29.070      12.849     -10.713     -15.796      57.634       8.430      -0.642      -8.324       0.000       0.000      11.233       4.829       7.146       0.000       0.000       0.000     -11.204      10.271     -20.279       0.000
+         6           0.60      32.033      -7.606      24.427       1.411     316.267     300.000       7.997    0      -29.042      12.864     -10.801     -15.558      58.458       8.445      -0.637      -8.373       0.000       0.000      11.156       4.826       7.105       0.000       0.000       0.000     -10.993      13.613     -20.326       0.000
+         7           0.70      28.502      -4.136      24.367       1.204     281.403     300.000       7.995    0      -28.974      12.897     -10.870     -15.229      59.972       8.478      -0.629      -8.406       0.000       0.000      11.077       4.841       7.060       0.000       0.000       0.000     -10.806      16.138     -20.354       0.000
+         8           0.80      27.325      -2.807      24.518       1.008     269.781     300.000       7.994    0      -28.873      12.923     -10.905     -14.865      61.776       8.514      -0.624      -8.416       0.000       0.000      11.021       4.869       7.015       0.000       0.000       0.000     -10.666      16.383     -20.352       0.000
+         9           0.90      27.867      -3.120      24.747       1.012     275.136     300.000       7.995    0      -28.774      12.914     -10.897     -14.538      63.288       8.541      -0.625      -8.398       0.000       0.000      11.001       4.896       6.975       0.000       0.000       0.000     -10.595      15.177     -20.318       0.000
+        10           1.00      28.790      -3.860      24.931       1.483     284.247     300.000       7.997    0      -28.704      12.855     -10.849     -14.320      63.981       8.550      -0.635      -8.355       0.000       0.000      11.018       4.909       6.945       0.000       0.000       0.000     -10.612      14.023     -20.254       0.000
+        11           1.10      29.083      -3.991      25.092       1.325     287.142     300.000       7.999    0      -28.660      12.754     -10.779     -14.244      63.456       8.542      -0.650      -8.298       0.000       0.000      11.061       4.903       6.928       0.000       0.000       0.000     -10.717      14.069     -20.176       0.000
+        12           1.20      28.864      -3.549      25.315       1.247     284.973     300.000       8.001    0      -28.630      12.641     -10.710     -14.288      61.504       8.522      -0.665      -8.244       0.000       0.000      11.118       4.881       6.924       0.000       0.000       0.000     -10.894      15.206     -20.102       0.000
+        13           1.30      29.383      -3.837      25.546       1.002     290.098     300.000       8.002    0      -28.606      12.555     -10.667     -14.384      58.214       8.497      -0.669      -8.206       0.000       0.000      11.175       4.854       6.931       0.000       0.000       0.000     -11.111      15.921     -20.051       0.000
+        14           1.40      31.510      -5.923      25.587       1.067     311.096     300.000       8.001    0      -28.600      12.522     -10.662     -14.457      53.997       8.473      -0.657      -8.195       0.000       0.000      11.227       4.833       6.945       0.000       0.000       0.000     -11.336      14.907     -20.037       0.000
+        15           1.50      34.175      -8.862      25.313       0.905     337.410     300.000       7.999    0      -28.633      12.550     -10.701     -14.450      49.117       8.457      -0.625      -8.213       0.000       0.000      11.269       4.827       6.962       0.000       0.000       0.000     -11.544      12.975     -20.062       0.000
+        16           1.60      34.926     -10.113      24.812       1.245     344.824     300.000       7.996    0      -28.705      12.627     -10.774     -14.335      43.658       8.449      -0.578      -8.256       0.000       0.000      11.299       4.836       6.978       0.000       0.000       0.000     -11.720      12.620     -20.121       0.000
+        17           1.70      32.825      -8.318      24.507       2.097     324.086     300.000       7.992    0      -28.773      12.728     -10.867     -14.120      39.608       8.451      -0.526      -8.314       0.000       0.000      11.322       4.856       6.991       0.000       0.000       0.000     -11.867      14.875     -20.203       0.000
+        18           1.80      30.268      -5.780      24.488       1.770     298.841     300.000       7.989    0      -28.821      12.819     -10.964     -13.877      37.817       8.462      -0.483      -8.376       0.000       0.000      11.345       4.879       7.000       0.000       0.000       0.000     -11.987      17.437     -20.293       0.000
+        19           1.90      30.350      -5.838      24.512       1.419     299.646     300.000       7.988    0      -28.891      12.875     -11.051     -13.717      37.850       8.478      -0.457      -8.429       0.000       0.000      11.372       4.894       7.006       0.000       0.000       0.000     -12.086      17.284     -20.375       0.000
+        20           2.00      33.025      -8.721      24.304       0.851     326.053     300.000       7.987    0      -28.992      12.883     -11.119     -13.722      38.858       8.495      -0.451      -8.467       0.000       0.000      11.408       4.892       7.008       0.000       0.000       0.000     -12.165      14.471     -20.439       0.000
+        21           2.10      35.212     -11.371      23.841       3.135     347.652     300.000       7.988    0      -29.103      12.850     -11.164     -13.915      40.428       8.511      -0.461      -8.486       0.000       0.000      11.450       4.867       7.007       0.000       0.000       0.000     -12.223      12.112     -20.477       0.000
+        22           2.20      34.382     -10.999      23.383       2.473     339.451     300.000       7.990    0      -29.214      12.792     -11.187     -14.292      42.763       8.525      -0.481      -8.487       0.000       0.000      11.499       4.823       7.005       0.000       0.000       0.000     -12.259      12.903     -20.489       0.000
+        23           2.30      31.432      -8.201      23.232       1.769     310.331     300.000       7.991    0      -29.322      12.730     -11.193     -14.818      45.241       8.541      -0.505      -8.476       0.000       0.000      11.555       4.768       7.003       0.000       0.000       0.000     -12.276      16.247     -20.483       0.000
+        24           2.40      29.520      -6.288      23.232       2.253     291.452     300.000       7.992    0      -29.416      12.685     -11.185     -15.383      45.824       8.555      -0.524      -8.460       0.000       0.000      11.618       4.714       7.004       0.000       0.000       0.000     -12.277      18.976     -20.469       0.000
+        25           2.50      30.441      -7.165      23.276       2.077     300.546     300.000       7.992    0      -29.484      12.676     -11.171     -15.825      45.235       8.566      -0.533      -8.443       0.000       0.000      11.686       4.675       7.011       0.000       0.000       0.000     -12.266      18.821     -20.460       0.000
+        26           2.60      33.318     -10.188      23.130       2.944     328.953     300.000       7.991    0      -29.534      12.719     -11.160     -16.029      43.779       8.569      -0.529      -8.435       0.000       0.000      11.757       4.660       7.025       0.000       0.000       0.000     -12.250      16.230     -20.471       0.000
+        27           2.70      36.021     -13.289      22.732       1.710     355.635     300.000       7.989    0      -29.608      12.813     -11.161     -16.001      42.124       8.571      -0.519      -8.438       0.000       0.000      11.825       4.673       7.047       0.000       0.000       0.000     -12.231      13.237     -20.511       0.000
+        28           2.80      37.010     -14.882      22.128       1.129     365.401     300.000       7.986    0      -29.753      12.936     -11.180     -15.830      40.846       8.581      -0.512      -8.457       0.000       0.000      11.879       4.708       7.072       0.000       0.000       0.000     -12.209      11.550     -20.581       0.000
+        29           2.90      36.082     -14.566      21.516       1.269     356.235     300.000       7.983    0      -29.970      13.056     -11.217     -15.623      40.551       8.604      -0.516      -8.488       0.000       0.000      11.911       4.754       7.098       0.000       0.000       0.000     -12.182      11.665     -20.674       0.000
+        30           3.00      34.347     -13.319      21.027       1.027     339.105     300.000       7.979    0      -30.213      13.149     -11.266     -15.469      41.802       8.638      -0.536      -8.529       0.000       0.000      11.925       4.795       7.127       0.000       0.000       0.000     -12.149      12.618     -20.778       0.000
+        31           3.10      33.122     -12.478      20.645       1.818     327.017     300.000       7.974    0      -30.435      13.209     -11.321     -15.430      44.349       8.675      -0.570      -8.571       0.000       0.000      11.932       4.815       7.161       0.000       0.000       0.000     -12.109      13.155     -20.877       0.000
+        32           3.20      32.549     -12.244      20.306       1.815     321.360     300.000       7.970    0      -30.611      13.250     -11.373     -15.512      46.243       8.705      -0.612      -8.609       0.000       0.000      11.954       4.806       7.203       0.000       0.000       0.000     -12.064      13.356     -20.960       0.000
+        33           3.30      31.894     -11.812      20.081       1.558     314.886     300.000       7.966    0      -30.731      13.288     -11.416     -15.640      47.182       8.723      -0.651      -8.636       0.000       0.000      12.004       4.774       7.253       0.000       0.000       0.000     -12.018      13.925     -21.022       0.000
+        34           3.40      31.001     -11.046      19.955       1.081     306.075     300.000       7.963    0      -30.811      13.340     -11.451     -15.698      47.892       8.729      -0.675      -8.653       0.000       0.000      12.084       4.729       7.304       0.000       0.000       0.000     -11.977      14.718     -21.066       0.000
+        35           3.50      30.266     -10.348      19.918       0.865     298.814     300.000       7.962    0      -30.888      13.413     -11.480     -15.633      48.600       8.727      -0.680      -8.662       0.000       0.000      12.180       4.687       7.350       0.000       0.000       0.000     -11.944      15.248     -21.102       0.000
+        36           3.60      30.168     -10.196      19.972       1.402     297.849     300.000       7.961    0      -30.992      13.502     -11.507     -15.490      49.528       8.723      -0.666      -8.670       0.000       0.000      12.268       4.656       7.381       0.000       0.000       0.000     -11.922      15.093     -21.137       0.000
+        37           3.70      31.146     -11.179      19.967       0.885     307.507     300.000       7.962    0      -31.115      13.584     -11.533     -15.344      50.898       8.722      -0.646      -8.679       0.000       0.000      12.329       4.637       7.394       0.000       0.000       0.000     -11.909      13.754     -21.175       0.000
+        38           3.80      32.648     -12.874      19.773       0.811     322.332     300.000       7.964    0      -31.223      13.634     -11.554     -15.241      52.600       8.729      -0.632      -8.691       0.000       0.000      12.353       4.623       7.390       0.000       0.000       0.000     -11.905      11.741     -21.214       0.000
+        39           3.90      33.082     -13.615      19.467       1.070     326.620     300.000       7.966    0      -31.290      13.636     -11.568     -15.182      54.049       8.742      -0.636      -8.704       0.000       0.000      12.348       4.604       7.378       0.000       0.000       0.000     -11.905      10.823     -21.247       0.000
+        40           4.00      31.608     -12.342      19.265       1.764     312.063     300.000       7.969    0      -31.319      13.598     -11.570     -15.161      54.714       8.757      -0.659      -8.715       0.000       0.000      12.335       4.577       7.372       0.000       0.000       0.000     -11.906      12.132     -21.266       0.000
+        41           4.10      29.501     -10.197      19.304       1.892     291.267     300.000       7.970    0      -31.334      13.545     -11.564     -15.181      54.441       8.763      -0.690      -8.723       0.000       0.000      12.341       4.543       7.385       0.000       0.000       0.000     -11.907      14.533     -21.268       0.000
+        42           4.20      28.992      -9.564      19.428       1.781     286.237     300.000       7.972    0      -31.355      13.502     -11.551     -15.255      53.303       8.754      -0.715      -8.726       0.000       0.000      12.379       4.509       7.427       0.000       0.000       0.000     -11.908      15.607     -21.256       0.000
+        43           4.30      30.295     -10.897      19.398       0.997     299.103     300.000       7.972    0      -31.392      13.484     -11.540     -15.386      51.668       8.730      -0.721      -8.726       0.000       0.000      12.441       4.483       7.494       0.000       0.000       0.000     -11.910      14.807     -21.239       0.000
+        44           4.40      31.038     -11.742      19.296       0.902     306.441     300.000       7.970    0      -31.449      13.493     -11.539     -15.563      50.263       8.695      -0.700      -8.728       0.000       0.000      12.504       4.469       7.574       0.000       0.000       0.000     -11.917      14.455     -21.228       0.000
+        45           4.50      29.907     -10.529      19.378       1.555     295.276     300.000       7.968    0      -31.545      13.523     -11.555     -15.763      49.877       8.653      -0.657      -8.736       0.000       0.000      12.537       4.467       7.650       0.000       0.000       0.000     -11.929      16.033     -21.236       0.000
+        46           4.60      29.001      -9.375      19.627       1.293     286.330     300.000       7.964    0      -31.705      13.555     -11.595     -15.947      51.283       8.609      -0.603      -8.756       0.000       0.000      12.523       4.471       7.705       0.000       0.000       0.000     -11.946      17.354     -21.268       0.000
+        47           4.70      30.775     -11.076      19.699       2.365     303.845     300.000       7.959    0      -31.937      13.577     -11.659     -16.054      54.181       8.566      -0.556      -8.794       0.000       0.000      12.462       4.473       7.733       0.000       0.000       0.000     -11.967      15.668     -21.326       0.000
+        48           4.80      33.896     -14.522      19.374       1.942     334.657     300.000       7.954    0      -32.220      13.591     -11.746     -15.995      57.038       8.525      -0.526      -8.849       0.000       0.000      12.374       4.470       7.737       0.000       0.000       0.000     -11.988      12.221     -21.409       0.000
+        49           4.90      34.588     -15.637      18.951       1.616     341.487     300.000       7.950    0      -32.515      13.609     -11.851     -15.719      59.132       8.483      -0.512      -8.918       0.000       0.000      12.290       4.463       7.727       0.000       0.000       0.000     -12.009      11.051     -21.509       0.000
+        50           5.00      32.227     -13.457      18.770       0.963     318.177     300.000       7.945    0      -32.773      13.645     -11.967     -15.289      60.122       8.437      -0.508      -8.997       0.000       0.000      12.245       4.460       7.720       0.000       0.000       0.000     -12.030      13.124     -21.615       0.000
+        51           5.10      30.248     -11.479      18.769       1.298     298.643     300.000       7.941    0      -32.953      13.702     -12.082     -14.880      60.178       8.381      -0.505      -9.078       0.000       0.000      12.258       4.470       7.729       0.000       0.000       0.000     -12.055      15.013     -21.716       0.000
+        52           5.20      31.068     -12.391      18.677       0.891     306.739     300.000       7.938    0      -33.034      13.765     -12.183     -14.671      59.743       8.316      -0.494      -9.150       0.000       0.000      12.332       4.492       7.759       0.000       0.000       0.000     -12.085      14.128     -21.801       0.000
+        53           5.30      33.218     -14.776      18.442       1.083     327.960     300.000       7.934    0      -33.026      13.813     -12.258     -14.718      58.953       8.247      -0.474      -9.205       0.000       0.000      12.445       4.519       7.804       0.000       0.000       0.000     -12.118      11.970     -21.862       0.000
+        54           5.40      34.387     -16.242      18.145       1.483     339.507     300.000       7.931    0      -32.972      13.825     -12.304     -14.954      57.831       8.179      -0.447      -9.239       0.000       0.000      12.562       4.534       7.852       0.000       0.000       0.000     -12.149      10.962     -21.900       0.000
+        55           5.50      34.285     -16.517      17.768       1.550     338.498     300.000       7.928    0      -32.932      13.799     -12.325     -15.256      56.436       8.118      -0.421      -9.256       0.000       0.000      12.656       4.528       7.889       0.000       0.000       0.000     -12.175      11.348     -21.921       0.000
+        56           5.60      33.394     -16.025      17.369       1.763     329.700     300.000       7.926    0      -32.921      13.753     -12.340     -15.488      54.911       8.067      -0.402      -9.265       0.000       0.000      12.718       4.497       7.911       0.000       0.000       0.000     -12.191      12.542     -21.944       0.000
+        57           5.70      32.019     -14.887      17.132       1.422     316.126     300.000       7.923    0      -32.916      13.725     -12.373     -15.554      53.431       8.028      -0.393      -9.282       0.000       0.000      12.757       4.454       7.921       0.000       0.000       0.000     -12.193      14.194     -21.989       0.000
+        58           5.80      31.179     -14.129      17.050       0.533     307.832     300.000       7.920    0      -32.932      13.757     -12.447     -15.440      52.094       7.998      -0.389      -9.322       0.000       0.000      12.792       4.414       7.934       0.000       0.000       0.000     -12.183      15.186     -22.074       0.000
+        59           5.90      31.833     -14.907      16.926       0.681     314.290     300.000       7.916    0      -32.993      13.867     -12.578     -15.221      50.756       7.974      -0.383      -9.393       0.000       0.000      12.841       4.397       7.963       0.000       0.000       0.000     -12.164      14.444     -22.207       0.000
+        60           6.00      33.189     -16.537      16.653       0.984     327.679     300.000       7.912    0      -33.060      14.050     -12.762     -15.047      48.884       7.949      -0.368      -9.495       0.000       0.000      12.913       4.407       8.018       0.000       0.000       0.000     -12.139      12.852     -22.381       0.000
+        61           6.10      33.620     -17.256      16.364       1.540     331.929     300.000       7.907    0      -33.060      14.269     -12.977     -15.067      46.807       7.920      -0.343      -9.614       0.000       0.000      13.008       4.438       8.101       0.000       0.000       0.000     -12.111      12.239     -22.574       0.000
+        62           6.20      33.242     -17.059      16.184       2.068     328.204     300.000       7.903    0      -32.986      14.463     -13.185     -15.279      45.316       7.884      -0.308      -9.730       0.000       0.000      13.111       4.470       8.200       0.000       0.000       0.000     -12.087      12.583     -22.757       0.000
+        63           6.30      33.949     -18.013      15.936       1.004     335.176     300.000       7.898    0      -32.893      14.575     -13.345     -15.602      44.780       7.843      -0.273      -9.823       0.000       0.000      13.201       4.482       8.298       0.000       0.000       0.000     -12.069      11.863     -22.902       0.000
+        64           6.40      35.873     -20.537      15.335       0.863     354.171     300.000       7.895    0      -32.823      14.576     -13.435     -16.015      45.400       7.801      -0.248      -9.883       0.000       0.000      13.265       4.458       8.373       0.000       0.000       0.000     -12.057       9.724     -22.998       0.000
+        65           6.50      35.823     -21.220      14.603       1.395     353.682     300.000       7.891    0      -32.774      14.494     -13.461     -16.433      47.003       7.765      -0.237      -9.914       0.000       0.000      13.304       4.403       8.411       0.000       0.000       0.000     -12.044       9.464     -23.055       0.000
+        66           6.60      32.014     -17.727      14.287       1.364     316.076     300.000       7.888    0      -32.728      14.396     -13.456     -16.715      48.602       7.739      -0.241      -9.932       0.000       0.000      13.334       4.338       8.416       0.000       0.000       0.000     -12.025      13.262     -23.097       0.000
+        67           6.70      27.865     -13.414      14.452       1.466     275.113     300.000       7.884    0      -32.686      14.350     -13.463     -16.847      49.608       7.725      -0.255      -9.957       0.000       0.000      13.374       4.286       8.403       0.000       0.000       0.000     -11.993      17.706     -23.156       0.000
+        68           6.80      27.725     -13.036      14.690       1.001     273.734     300.000       7.880    0      -32.649      14.399     -13.524     -16.838      50.387       7.724      -0.274     -10.008       0.000       0.000      13.437       4.268       8.393       0.000       0.000       0.000     -11.948      17.911     -23.255       0.000
+        69           6.90      31.087     -16.427      14.660       0.710     306.918     300.000       7.874    0      -32.590      14.553     -13.659     -16.655      50.981       7.731      -0.294     -10.092       0.000       0.000      13.528       4.291       8.403       0.000       0.000       0.000     -11.895      13.944     -23.407       0.000
+        70           7.00      33.647     -19.248      14.399       0.898     332.196     300.000       7.869    0      -32.480      14.790     -13.863     -16.353      51.353       7.740      -0.310     -10.202       0.000       0.000      13.647       4.347       8.442       0.000       0.000       0.000     -11.844      10.223     -23.599       0.000
+        71           7.10      32.819     -18.666      14.153       1.472     324.023     300.000       7.863    0      -32.331      15.062     -14.107     -16.121      51.570       7.747      -0.319     -10.321       0.000       0.000      13.788       4.419       8.509       0.000       0.000       0.000     -11.804       9.893     -23.809       0.000
+        72           7.20      30.037     -15.916      14.121       1.599     296.552     300.000       7.857    0      -32.194      15.314     -14.348     -16.079      51.972       7.748      -0.319     -10.428       0.000       0.000      13.940       4.484       8.596       0.000       0.000       0.000     -11.781      11.967     -24.007       0.000
+        73           7.30      28.333     -14.093      14.240       1.452     279.731     300.000       7.852    0      -32.121      15.503     -14.551     -16.130      53.039       7.747      -0.314     -10.512       0.000       0.000      14.083       4.526       8.684       0.000       0.000       0.000     -11.774      13.310     -24.173       0.000
+        74           7.40      28.723     -14.395      14.328       0.891     283.581     300.000       7.847    0      -32.117      15.611     -14.696     -16.058      55.017       7.749      -0.306     -10.574       0.000       0.000      14.201       4.538       8.754       0.000       0.000       0.000     -11.779      12.475     -24.302       0.000
+        75           7.50      29.487     -15.113      14.374       0.804     291.123     300.000       7.842    0      -32.117      15.655     -14.790     -15.823      57.603       7.757      -0.301     -10.626       0.000       0.000      14.286       4.526       8.790       0.000       0.000       0.000     -11.789      11.067     -24.407       0.000
+        76           7.60      29.028     -14.504      14.524       1.365     286.598     300.000       7.838    0      -32.060      15.679     -14.857     -15.654      60.028       7.773      -0.299     -10.689       0.000       0.000      14.341       4.506       8.789       0.000       0.000       0.000     -11.808      11.072     -24.508       0.000
+        77           7.70      28.194     -13.396      14.798       0.974     278.362     300.000       7.833    0      -32.002      15.724     -14.935     -15.752      61.400       7.793      -0.300     -10.778       0.000       0.000      14.371       4.491       8.760       0.000       0.000       0.000     -11.842      12.059     -24.624       0.000
+        78           7.80      28.666     -13.670      14.996       1.319     283.018     300.000       7.828    0      -32.076      15.814     -15.051     -16.073      61.274       7.813      -0.302     -10.898       0.000       0.000      14.382       4.489       8.721       0.000       0.000       0.000     -11.901      12.330     -24.762       0.000
+        79           7.90      30.013     -14.982      15.031       1.613     296.323     300.000       7.823    0      -32.268      15.943     -15.215     -16.394      59.923       7.829      -0.304     -11.040       0.000       0.000      14.381       4.501       8.694       0.000       0.000       0.000     -11.989      11.912     -24.919       0.000
+        80           8.00      30.454     -15.386      15.068       0.853     300.677     300.000       7.818    0      -32.435      16.092     -15.412     -16.543      58.128       7.834      -0.305     -11.182       0.000       0.000      14.379       4.521       8.697       0.000       0.000       0.000     -12.099      12.244     -25.084       0.000
+        81           8.10      30.033     -14.839      15.195       0.780     296.521     300.000       7.815    0      -32.523      16.238     -15.613     -16.546      56.734       7.826      -0.305     -11.299       0.000       0.000      14.383       4.537       8.743       0.000       0.000       0.000     -12.217      13.193     -25.238       0.000
+        82           8.20      30.426     -15.181      15.245       0.957     300.400     300.000       7.813    0      -32.577      16.360     -15.795     -16.514      56.270       7.807      -0.304     -11.376       0.000       0.000      14.393       4.543       8.827       0.000       0.000       0.000     -12.325      13.024     -25.360       0.000
+        83           8.30      31.677     -16.596      15.081       1.304     312.748     300.000       7.812    0      -32.639      16.445     -15.942     -16.488      56.776       7.782      -0.306     -11.410       0.000       0.000      14.399       4.531       8.932       0.000       0.000       0.000     -12.411      11.662     -25.437       0.000
+        84           8.40      31.751     -16.860      14.891       1.395     313.480     300.000       7.810    0      -32.723      16.491     -16.050     -16.453      57.785       7.760      -0.310     -11.415       0.000       0.000      14.389       4.502       9.030       0.000       0.000       0.000     -12.465      11.407     -25.472       0.000
+        85           8.50      30.144     -15.212      14.932       1.112     297.611     300.000       7.808    0      -32.823      16.506     -16.119     -16.431      58.449       7.750      -0.315     -11.413       0.000       0.000      14.360       4.463       9.097       0.000       0.000       0.000     -12.488      13.160     -25.488       0.000
+        86           8.60      29.297     -14.204      15.092       0.758     289.247     300.000       7.805    0      -32.931      16.511     -16.163     -16.481      57.926       7.756      -0.318     -11.424       0.000       0.000      14.315       4.427       9.121       0.000       0.000       0.000     -12.482      14.524     -25.516       0.000
+        87           8.70      30.835     -15.766      15.069       1.198     304.440     300.000       7.801    0      -33.045      16.532     -16.202     -16.609      55.924       7.780      -0.318     -11.465       0.000       0.000      14.259       4.410       9.108       0.000       0.000       0.000     -12.453      13.582     -25.578       0.000
+        88           8.80      32.944     -18.081      14.863       1.329     325.253     300.000       7.796    0      -33.177      16.588     -16.264     -16.736      52.916       7.817      -0.315     -11.540       0.000       0.000      14.202       4.425       9.071       0.000       0.000       0.000     -12.411      11.962     -25.676       0.000
+        89           8.90      33.573     -18.896      14.677       0.951     331.464     300.000       7.791    0      -33.345      16.681     -16.365     -16.783      49.725       7.863      -0.309     -11.639       0.000       0.000      14.149       4.480       9.028       0.000       0.000       0.000     -12.360      11.720     -25.800       0.000
+        90           9.00      33.648     -19.170      14.478       1.121     332.211     300.000       7.786    0      -33.559      16.795     -16.506     -16.779      46.898       7.912      -0.302     -11.747       0.000       0.000      14.103       4.568       8.995       0.000       0.000       0.000     -12.306      11.891     -25.929       0.000
+        91           9.10      34.597     -20.538      14.059       1.071     341.575     300.000       7.781    0      -33.778      16.907     -16.676     -16.848      44.647       7.960      -0.298     -11.846       0.000       0.000      14.059       4.670       8.977       0.000       0.000       0.000     -12.253      10.952     -26.043       0.000
+        92           9.20      35.229     -21.741      13.488       1.586     347.817     300.000       7.778    0      -33.922      16.995     -16.857     -17.053      43.158       8.007      -0.296     -11.926       0.000       0.000      14.007       4.764       8.970       0.000       0.000       0.000     -12.202      10.162     -26.122       0.000
+        93           9.30      33.884     -20.804      13.080       1.445     334.538     300.000       7.775    0      -33.971      17.047     -17.032     -17.309      42.208       8.052      -0.299     -11.984       0.000       0.000      13.933       4.825       8.962       0.000       0.000       0.000     -12.154      11.460     -26.154       0.000
+        94           9.40      31.870     -18.934      12.936       1.421     314.655     300.000       7.773    0      -34.025      17.058     -17.185     -17.479      41.259       8.099      -0.302     -12.024       0.000       0.000      13.830       4.845       8.940       0.000       0.000       0.000     -12.111      13.726     -26.144       0.000
+        95           9.50      31.883     -19.085      12.798       1.298     314.780     300.000       7.771    0      -34.192      17.036     -17.301     -17.518      40.395       8.150      -0.304     -12.056       0.000       0.000      13.698       4.826       8.897       0.000       0.000       0.000     -12.070      14.058     -26.112       0.000
+        96           9.60      33.908     -21.439      12.468       1.652     334.773     300.000       7.769    0      -34.450      17.004     -17.375     -17.432      41.024       8.201      -0.302     -12.086       0.000       0.000      13.546       4.785       8.839       0.000       0.000       0.000     -12.029      11.951     -26.087       0.000
+        97           9.70      35.469     -23.449      12.021       1.455     350.190     300.000       7.767    0      -34.703      16.988     -17.413     -17.154      43.906       8.246      -0.292     -12.116       0.000       0.000      13.388       4.741       8.780       0.000       0.000       0.000     -11.981       9.549     -26.087       0.000
+        98           9.80      35.092     -23.564      11.528       1.791     346.465     300.000       7.767    0      -34.914      17.000     -17.438     -16.627      47.490       8.278      -0.276     -12.147       0.000       0.000      13.240       4.713       8.740       0.000       0.000       0.000     -11.922       8.500     -26.113       0.000
+        99           9.90      33.363     -22.250      11.114       1.650     329.398     300.000       7.766    0      -35.109      17.038     -17.475     -16.014      50.035       8.291      -0.254     -12.180       0.000       0.000      13.114       4.708       8.729       0.000       0.000       0.000     -11.851       8.859     -26.151       0.000
+       100          10.00      31.315     -20.443      10.871       2.473     309.170     300.000       7.766    0      -35.297      17.087     -17.545     -15.659      51.744       8.284      -0.229     -12.212       0.000       0.000      13.011       4.724       8.744       0.000       0.000       0.000     -11.772      10.101     -26.181       0.000
+       101          10.10      29.975     -19.134      10.841       2.219     295.946     300.000       7.766    0      -35.444      17.138     -17.657     -15.780      53.502       8.259      -0.204     -12.247       0.000       0.000      12.934       4.755       8.774       0.000       0.000       0.000     -11.692      11.345     -26.191       0.000
+       102          10.20      29.923     -19.115      10.809       1.048     295.435     300.000       7.766    0      -35.514      17.183     -17.806     -16.295      54.256       8.225      -0.179     -12.286       0.000       0.000      12.880       4.791       8.805       0.000       0.000       0.000     -11.622      11.860     -26.179       0.000
+       103          10.30      30.175     -19.410      10.765       0.770     297.920     300.000       7.764    0      -35.506      17.223     -17.975     -16.855      53.990       8.188      -0.155     -12.335       0.000       0.000      12.849       4.824       8.821       0.000       0.000       0.000     -11.573      12.238     -26.163       0.000
+       104          10.40      29.722     -18.850      10.872       0.485     293.447     300.000       7.761    0      -35.444      17.260     -18.133     -17.157      53.229       8.156      -0.133     -12.396       0.000       0.000      12.843       4.848       8.813       0.000       0.000       0.000     -11.553      13.237     -26.174       0.000
+       105          10.50      29.706     -18.640      11.067       1.167     293.291     300.000       7.757    0      -35.354      17.307     -18.255     -17.221      52.452       8.136      -0.116     -12.469       0.000       0.000      12.860       4.866       8.777       0.000       0.000       0.000     -11.565      13.592     -26.243       0.000
+       106          10.60      31.459     -20.434      11.025       1.894     310.593     300.000       7.752    0      -35.240      17.375     -18.334     -17.195      52.027       8.127      -0.103     -12.554       0.000       0.000      12.895       4.883       8.717       0.000       0.000       0.000     -11.609      11.730     -26.374       0.000
+       107          10.70      33.275     -22.572      10.703       1.794     328.523     300.000       7.748    0      -35.105      17.468     -18.389     -17.112      52.116       8.130      -0.096     -12.647       0.000       0.000      12.932       4.904       8.643       0.000       0.000       0.000     -11.678       9.310     -26.543       0.000
+       108          10.80      32.565     -22.086      10.479       1.603     321.513     300.000       7.745    0      -34.980      17.576     -18.444     -16.982      52.726       8.141      -0.095     -12.742       0.000       0.000      12.955       4.928       8.566       0.000       0.000       0.000     -11.761       9.374     -26.713       0.000
+       109          10.90      30.532     -20.000      10.532       1.326     301.444     300.000       7.742    0      -34.927      17.675     -18.518     -16.929      53.740       8.156      -0.097     -12.829       0.000       0.000      12.948       4.950       8.499       0.000       0.000       0.000     -11.848      11.179     -26.855       0.000
+       110          11.00      30.640     -20.119      10.521       0.857     302.509     300.000       7.740    0      -34.992      17.744     -18.617     -17.029      54.983       8.172      -0.099     -12.904       0.000       0.000      12.905       4.965       8.450       0.000       0.000       0.000     -11.929      11.132     -26.953       0.000
+       111          11.10      32.601     -22.422      10.179       0.994     321.871     300.000       7.738    0      -35.133      17.781     -18.742     -17.111      56.317       8.183      -0.097     -12.964       0.000       0.000      12.831       4.972       8.419       0.000       0.000       0.000     -11.995       9.019     -27.005       0.000
+       112          11.20      32.335     -22.473       9.862       1.035     319.245     300.000       7.737    0      -35.254      17.805     -18.882     -16.907      57.559       8.184      -0.087     -13.013       0.000       0.000      12.739       4.976       8.405       0.000       0.000       0.000     -12.040       8.827     -27.018       0.000
+       113          11.30      29.116     -19.092      10.024       2.096     287.466     300.000       7.735    0      -35.306      17.840     -19.019     -16.455      58.314       8.171      -0.069     -13.059       0.000       0.000      12.651       4.983       8.403       0.000       0.000       0.000     -12.064      11.728     -27.014       0.000
+       114          11.40      27.722     -17.329      10.393       1.969     273.700     300.000       7.734    0      -35.327      17.905     -19.133     -16.121      58.119       8.139      -0.046     -13.105       0.000       0.000      12.586       4.995       8.408       0.000       0.000       0.000     -12.070      13.190     -27.025       0.000
+       115          11.50      30.937     -20.564      10.373       1.415     305.441     300.000       7.733    0      -35.374      18.006     -19.220     -16.113      56.829       8.085      -0.019     -13.155       0.000       0.000      12.556       5.012       8.412       0.000       0.000       0.000     -12.066      10.180     -27.071       0.000
+       116          11.60      34.648     -24.702       9.946       0.961     342.080     300.000       7.732    0      -35.460      18.133     -19.291     -16.310      54.792       8.015       0.007     -13.214       0.000       0.000      12.553       5.028       8.409       0.000       0.000       0.000     -12.059       6.664     -27.152       0.000
+       117          11.70      34.084     -24.477       9.607       1.583     336.508     300.000       7.732    0      -35.549      18.262     -19.372     -16.476      52.865       7.935       0.031     -13.283       0.000       0.000      12.558       5.033       8.394       0.000       0.000       0.000     -12.055       7.524     -27.243       0.000
+       118          11.80      30.778     -21.212       9.566       1.810     303.869     300.000       7.731    0      -35.609      18.364     -19.484     -16.505      51.932       7.855       0.053     -13.361       0.000       0.000      12.549       5.020       8.366       0.000       0.000       0.000     -12.053      11.178     -27.318       0.000
+       119          11.90      29.193     -19.634       9.559       1.410     288.226     300.000       7.731    0      -35.633      18.429     -19.638     -16.459      52.007       7.782       0.074     -13.447       0.000       0.000      12.519       4.991       8.331       0.000       0.000       0.000     -12.047      12.956     -27.360       0.000
+       120          12.00      29.746     -20.295       9.451       1.137     293.681     300.000       7.730    0      -35.638      18.467     -19.833     -16.377      52.633       7.721       0.096     -13.538       0.000       0.000      12.474       4.961       8.298       0.000       0.000       0.000     -12.032      12.376     -27.365       0.000
+       121          12.10      29.529     -20.037       9.492       0.864     291.537     300.000       7.728    0      -35.645      18.509     -20.049     -16.207      53.448       7.675       0.119     -13.632       0.000       0.000      12.430       4.950       8.274       0.000       0.000       0.000     -12.001      12.509     -27.346       0.000
+       122          12.20      28.291     -18.486       9.805       0.430     279.316     300.000       7.725    0      -35.653      18.584     -20.257     -15.952      54.117       7.647       0.141     -13.729       0.000       0.000      12.404       4.970       8.262       0.000       0.000       0.000     -11.955      13.692     -27.335       0.000
+       123          12.30      28.727     -18.683      10.044       1.239     283.627     300.000       7.721    0      -35.640      18.709     -20.423     -15.703      54.394       7.635       0.163     -13.826       0.000       0.000      12.409       5.019       8.260       0.000       0.000       0.000     -11.893      12.962     -27.372       0.000
+       124          12.40      30.905     -20.958       9.947       1.836     305.129     300.000       7.716    0      -35.582      18.881     -20.529     -15.469      54.253       7.636       0.182     -13.923       0.000       0.000      12.443       5.082       8.258       0.000       0.000       0.000     -11.817      10.001     -27.484       0.000
+       125          12.50      31.383     -21.602       9.781       1.731     309.843     300.000       7.710    0      -35.477      19.080     -20.580     -15.200      53.778       7.648       0.196     -14.018       0.000       0.000      12.492       5.135       8.244       0.000       0.000       0.000     -11.731       8.549     -27.664       0.000
+       126          12.60      28.887     -18.988       9.899       1.210     285.199     300.000       7.705    0      -35.367      19.271     -20.604     -14.925      53.111       7.666       0.204     -14.110       0.000       0.000      12.532       5.156       8.210       0.000       0.000       0.000     -11.636      10.421     -27.875       0.000
+       127          12.70      26.444     -16.178      10.265       0.760     261.081     300.000       7.702    0      -35.311      19.423     -20.636     -14.738      52.697       7.685       0.211     -14.200       0.000       0.000      12.547       5.135       8.162       0.000       0.000       0.000     -11.532      12.766     -28.073       0.000
+       128          12.80      26.906     -16.296      10.610       0.576     265.640     300.000       7.699    0      -35.338      19.528     -20.713     -14.717      52.920       7.697       0.219     -14.291       0.000       0.000      12.535       5.078       8.114       0.000       0.000       0.000     -11.422      12.551     -28.228       0.000
+       129          12.90      29.371     -18.612      10.759       0.678     289.977     300.000       7.697    0      -35.434      19.602     -20.860     -14.891      53.673       7.695       0.235     -14.391       0.000       0.000      12.503       5.008       8.085       0.000       0.000       0.000     -11.312      10.494     -28.329       0.000
+       130          13.00      30.910     -20.140      10.770       1.068     305.175     300.000       7.696    0      -35.561      19.675     -21.092     -15.224      54.582       7.677       0.260     -14.508       0.000       0.000      12.469       4.955       8.090       0.000       0.000       0.000     -11.213       9.463     -28.381       0.000
+       131          13.10      30.353     -19.528      10.825       1.348     299.671     300.000       7.695    0      -35.685      19.775     -21.396     -15.591      55.241       7.646       0.290     -14.649       0.000       0.000      12.448       4.942       8.139       0.000       0.000       0.000     -11.137      10.606     -28.410       0.000
+       132          13.20      29.315     -18.347      10.967       1.558     289.427     300.000       7.692    0      -35.783      19.922     -21.735     -15.857      55.360       7.607       0.324     -14.818       0.000       0.000      12.461       4.975       8.225       0.000       0.000       0.000     -11.100      12.161     -28.463       0.000
+       133          13.30      29.636     -18.602      11.034       1.296     292.596     300.000       7.688    0      -35.850      20.123     -22.059     -15.969      54.943       7.569       0.358     -15.012       0.000       0.000      12.523       5.039       8.333       0.000       0.000       0.000     -11.111      12.049     -28.598       0.000
+       134          13.40      30.669     -19.718      10.951       0.852     302.798     300.000       7.682    0      -35.891      20.365     -22.321     -15.939      54.467       7.541       0.387     -15.223       0.000       0.000      12.637       5.108       8.442       0.000       0.000       0.000     -11.172      10.816     -28.842       0.000
+       135          13.50      30.406     -19.490      10.916       0.867     300.203     300.000       7.676    0      -35.906      20.620     -22.497     -15.841      54.592       7.529       0.409     -15.438       0.000       0.000      12.792       5.152       8.530       0.000       0.000       0.000     -11.274      10.714     -29.168       0.000
+       136          13.60      28.993     -17.881      11.112       1.385     286.248     300.000       7.670    0      -35.910      20.845     -22.593     -15.826      55.413       7.537       0.424     -15.641       0.000       0.000      12.971       5.150       8.587       0.000       0.000       0.000     -11.400      12.036     -29.509       0.000
+       137          13.70      29.060     -17.695      11.365       1.240     286.915     300.000       7.666    0      -35.940      21.007     -22.633     -16.034      56.239       7.566       0.432     -15.818       0.000       0.000      13.162       5.095       8.618       0.000       0.000       0.000     -11.532      12.349     -29.805       0.000
+       138          13.80      31.783     -20.465      11.317       0.934     313.792     300.000       7.664    0      -36.023      21.091     -22.656     -16.456      56.678       7.609       0.438     -15.967       0.000       0.000      13.364       4.999       8.637       0.000       0.000       0.000     -11.653      10.218     -30.032       0.000
+       139          13.90      34.458     -23.527      10.931       0.749     340.204     300.000       7.664    0      -36.143      21.118     -22.710     -16.895      56.665       7.658       0.442     -16.099       0.000       0.000      13.578       4.890       8.662       0.000       0.000       0.000     -11.753       8.021     -30.197       0.000
+       140          14.00      33.959     -23.388      10.570       2.126     335.274     300.000       7.664    0      -36.257      21.135     -22.838     -17.124      55.788       7.703       0.444     -16.236       0.000       0.000      13.805       4.801       8.710       0.000       0.000       0.000     -11.829       8.921     -30.324       0.000
+       141          14.10      31.297     -20.821      10.476       1.743     308.996     300.000       7.664    0      -36.362      21.201     -23.068     -17.147      53.800       7.735       0.444     -16.400       0.000       0.000      14.042       4.755       8.786       0.000       0.000       0.000     -11.887      12.105     -30.439       0.000
+       142          14.20      30.093     -19.631      10.462       1.095     297.108     300.000       7.662    0      -36.481      21.355     -23.394     -17.163      50.886       7.752       0.443     -16.608       0.000       0.000      14.284       4.760       8.884       0.000       0.000       0.000     -11.936      13.944     -30.567       0.000
+       143          14.30      31.251     -20.937      10.314       0.783     308.537     300.000       7.658    0      -36.620      21.604     -23.786     -17.301      48.043       7.759       0.442     -16.863       0.000       0.000      14.520       4.800       8.994       0.000       0.000       0.000     -11.983      13.313     -30.719       0.000
+       144          14.40      32.506     -22.370      10.136       0.820     320.933     300.000       7.652    0      -36.746      21.911     -24.188     -17.528      46.208       7.760       0.445     -17.150       0.000       0.000      14.729       4.846       9.097       0.000       0.000       0.000     -12.028      12.407     -30.898       0.000
+       145          14.50      32.820     -22.789      10.030       0.859     324.030     300.000       7.645    0      -36.828      22.216     -24.541     -17.746      45.455       7.762       0.452     -17.443       0.000       0.000      14.891       4.862       9.182       0.000       0.000       0.000     -12.067      12.300     -31.097       0.000
+       146          14.60      33.466     -23.663       9.804       1.955     330.416     300.000       7.639    0      -36.862      22.460     -24.809     -17.816      45.506       7.766       0.462     -17.716       0.000       0.000      15.001       4.825       9.248       0.000       0.000       0.000     -12.096      11.494     -31.301       0.000
+       147          14.70      34.504     -25.194       9.310       1.389     340.661     300.000       7.633    0      -36.850      22.621     -25.000     -17.586      46.122       7.773       0.473     -17.957       0.000       0.000      15.070       4.736       9.304       0.000       0.000       0.000     -12.112       9.676     -31.498       0.000
+       148          14.80      33.638     -24.822       8.816       1.102     332.109     300.000       7.629    0      -36.778      22.729     -25.159     -17.051      47.303       7.779       0.481     -18.171       0.000       0.000      15.122       4.622       9.361       0.000       0.000       0.000     -12.116       9.329     -31.677       0.000
+       149          14.90      30.256     -21.533       8.723       0.749     298.714     300.000       7.625    0      -36.651      22.841     -25.346     -16.418      48.494       7.784       0.485     -18.380       0.000       0.000      15.186       4.518       9.432       0.000       0.000       0.000     -12.115      11.696     -31.827       0.000
+       150          15.00      27.626     -18.636       8.989       0.709     272.749     300.000       7.622    0      -36.546      23.017     -25.612     -15.957      48.688       7.783       0.484     -18.603       0.000       0.000      15.282       4.454       9.524       0.000       0.000       0.000     -12.121      13.952     -31.940       0.000
+       151          15.10      29.042     -19.833       9.209       0.678     286.732     300.000       7.620    0      -36.599      23.287     -25.976     -15.864      48.212       7.775       0.480     -18.853       0.000       0.000      15.417       4.441       9.633       0.000       0.000       0.000     -12.144      12.718     -32.007       0.000
+       152          15.20      33.270     -24.244       9.027       0.523     328.480     300.000       7.617    0      -36.845      23.635     -26.418     -16.140      47.590       7.760       0.475     -19.123       0.000       0.000      15.585       4.467       9.741       0.000       0.000       0.000     -12.183       8.869     -32.027       0.000
+       153          15.30      35.746     -27.201       8.545       1.136     352.925     300.000       7.615    0      -37.129      24.000     -26.881     -16.601      47.145       7.739       0.471     -19.392       0.000       0.000      15.763       4.507       9.824       0.000       0.000       0.000     -12.227       6.697     -32.014       0.000
+       154          15.40      34.084     -25.935       8.149       1.410     336.514     300.000       7.614    0      -37.291      24.301     -27.294     -17.018      47.360       7.717       0.471     -19.634       0.000       0.000      15.922       4.526       9.862       0.000       0.000       0.000     -12.261       8.536     -31.997       0.000
+       155          15.50      30.593     -22.561       8.032       1.099     302.044     300.000       7.613    0      -37.299      24.478     -27.601     -17.226      48.521       7.697       0.474     -19.831       0.000       0.000      16.033       4.502       9.842       0.000       0.000       0.000     -12.273      12.077     -32.009       0.000
+       156          15.60      28.850     -20.803       8.047       0.755     284.835     300.000       7.612    0      -37.228      24.529     -27.791     -17.162      50.704       7.679       0.480     -19.984       0.000       0.000      16.081       4.433       9.770       0.000       0.000       0.000     -12.260      13.605     -32.061       0.000
+       157          15.70      29.294     -21.255       8.039       0.885     289.217     300.000       7.611    0      -37.155      24.515     -27.908     -16.890      53.550       7.667       0.488     -20.116       0.000       0.000      16.070       4.341       9.659       0.000       0.000       0.000     -12.225      12.660     -32.136       0.000
+       158          15.80      29.712     -21.628       8.084       1.342     293.349     300.000       7.607    0      -37.108      24.526     -28.024     -16.583      55.252       7.661       0.500     -20.258       0.000       0.000      16.016       4.258       9.530       0.000       0.000       0.000     -12.179      11.914     -32.213       0.000
+       159          15.90      29.130     -20.855       8.275       1.342     287.604     300.000       7.602    0      -37.084      24.639     -28.220     -16.439      55.374       7.664       0.515     -20.443       0.000       0.000      15.941       4.212       9.406       0.000       0.000       0.000     -12.134      12.614     -32.272       0.000
+       160          16.00      29.381     -20.852       8.529       0.739     290.083     300.000       7.596    0      -37.112      24.892     -28.541     -16.562      56.122       7.674       0.533     -20.689       0.000       0.000      15.861       4.211       9.308       0.000       0.000       0.000     -12.103      12.611     -32.309       0.000
+       161          16.10      31.841     -23.355       8.486       0.586     314.363     300.000       7.588    0      -37.237      25.263     -28.992     -16.910      57.500       7.690       0.550     -20.991       0.000       0.000      15.787       4.252       9.244       0.000       0.000       0.000     -12.091      10.227     -32.323       0.000
+       162          16.20      34.416     -26.281       8.136       0.947     339.793     300.000       7.581    0      -37.434      25.685     -29.531     -17.307      58.890       7.709       0.563     -21.323       0.000       0.000      15.719       4.315       9.215       0.000       0.000       0.000     -12.099       7.522     -32.320       0.000
+       163          16.30      34.393     -26.656       7.737       1.673     339.564     300.000       7.575    0      -37.619      26.074     -30.087     -17.571      59.520       7.724       0.569     -21.647       0.000       0.000      15.655       4.378       9.205       0.000       0.000       0.000     -12.117       7.398     -32.306       0.000
+       164          16.40      32.023     -24.546       7.477       1.086     316.166     300.000       7.570    0      -37.744      26.361     -30.580     -17.631      59.121       7.733       0.570     -21.924       0.000       0.000      15.586       4.421       9.193       0.000       0.000       0.000     -12.132       9.766     -32.295       0.000
+       165          16.50      29.456     -22.051       7.405       1.050     290.819     300.000       7.567    0      -37.822      26.525     -30.950     -17.524      58.396       7.734       0.565     -22.134       0.000       0.000      15.501       4.434       9.157       0.000       0.000       0.000     -12.131      12.475     -32.294       0.000
+       166          16.60      28.203     -20.666       7.537       0.677     278.451     300.000       7.565    0      -37.886      26.596     -31.168     -17.356      58.488       7.725       0.557     -22.275       0.000       0.000      15.391       4.421       9.083       0.000       0.000       0.000     -12.106      13.942     -32.310       0.000
+       167          16.70      28.762     -21.003       7.759       0.928     283.972     300.000       7.564    0      -37.963      26.629     -31.255     -17.239      59.984       7.708       0.546     -22.366       0.000       0.000      15.262       4.394       8.967       0.000       0.000       0.000     -12.051      13.522     -32.344       0.000
+       168          16.80      30.865     -23.032       7.834       1.254     304.734     300.000       7.564    0      -38.061      26.677     -31.268     -17.237      62.722       7.686       0.533     -22.436       0.000       0.000      15.135       4.372       8.818       0.000       0.000       0.000     -11.968      11.285     -32.390       0.000
+       169          16.90      33.026     -25.378       7.648       0.994     326.071     300.000       7.563    0      -38.168      26.767     -31.281     -17.319      64.976       7.663       0.522     -22.519       0.000       0.000      15.034       4.362       8.655       0.000       0.000       0.000     -11.866       8.821     -32.437       0.000
+       170          17.00      33.130     -25.797       7.333       1.350     327.096     300.000       7.562    0      -38.247      26.902     -31.354     -17.338      65.341       7.644       0.511     -22.636       0.000       0.000      14.968       4.363       8.493       0.000       0.000       0.000     -11.756       8.424     -32.474       0.000
+       171          17.10      31.016     -23.801       7.216       0.979     306.225     300.000       7.562    0      -38.272      27.065     -31.517     -17.115      65.391       7.634       0.500     -22.795       0.000       0.000      14.934       4.368       8.346       0.000       0.000       0.000     -11.651      10.144     -32.490       0.000
+       172          17.20      28.890     -21.630       7.260       0.836     285.230     300.000       7.562    0      -38.244      27.227     -31.772     -16.641      65.979       7.637       0.491     -22.993       0.000       0.000      14.921       4.371       8.225       0.000       0.000       0.000     -11.565      11.649     -32.476       0.000
+       173          17.30      28.170     -20.815       7.355       0.791     278.121     300.000       7.562    0      -38.199      27.363     -32.093     -16.104      67.364       7.652       0.486     -23.219       0.000       0.000      14.908       4.366       8.131       0.000       0.000       0.000     -11.509      11.665     -32.433       0.000
+       174          17.40      28.125     -20.601       7.524       0.794     277.679     300.000       7.563    0      -38.173      27.462     -32.441     -15.665      69.476       7.675       0.487     -23.454       0.000       0.000      14.874       4.355       8.054       0.000       0.000       0.000     -11.491      11.195     -32.372       0.000
+       175          17.50      27.975     -20.180       7.795       0.773     276.202     300.000       7.563    0      -38.179      27.533     -32.768     -15.374      71.761       7.700       0.492     -23.684       0.000       0.000      14.792       4.343       7.984       0.000       0.000       0.000     -11.515      11.182     -32.325       0.000
+       176          17.60      28.181     -20.093       8.088       0.926     278.229     300.000       7.562    0      -38.216      27.602     -33.036     -15.255      73.343       7.720       0.500     -23.898       0.000       0.000      14.650       4.338       7.907       0.000       0.000       0.000     -11.579      11.196     -32.344       0.000
+       177          17.70      29.323     -21.035       8.288       0.786     289.512     300.000       7.560    0      -38.279      27.700     -33.224     -15.346      73.675       7.729       0.508     -24.089       0.000       0.000      14.459       4.347       7.822       0.000       0.000       0.000     -11.677      10.603     -32.483       0.000
+       178          17.80      30.952     -22.647       8.305       1.086     305.586     300.000       7.556    0      -38.354      27.842     -33.330     -15.644      72.881       7.727       0.513     -24.257       0.000       0.000      14.247       4.375       7.734       0.000       0.000       0.000     -11.798       9.677     -32.760       0.000
+       179          17.90      31.778     -23.595       8.183       1.206     313.742     300.000       7.550    0      -38.417      28.012     -33.376     -16.014      71.534       7.718       0.515     -24.404       0.000       0.000      14.051       4.419       7.652       0.000       0.000       0.000     -11.930       9.484     -33.145       0.000
+       180          18.00      31.070     -22.966       8.104       1.756     306.757     300.000       7.545    0      -38.459      28.168     -33.390     -16.261      70.160       7.708       0.512     -24.531       0.000       0.000      13.898       4.469       7.585       0.000       0.000       0.000     -12.060      10.678     -33.568       0.000
+       181          18.10      29.835     -21.665       8.171       1.701     294.566     300.000       7.541    0      -38.490      28.271     -33.395     -16.300      68.901       7.704       0.507     -24.643       0.000       0.000      13.802       4.509       7.537       0.000       0.000       0.000     -12.178      12.314     -33.959       0.000
+       182          18.20      29.900     -21.651       8.249       1.018     295.206     300.000       7.538    0      -38.516      28.298     -33.406     -16.197      68.129       7.712       0.501     -24.740       0.000       0.000      13.760       4.529       7.511       0.000       0.000       0.000     -12.277      12.498     -34.273       0.000
+       183          18.22      30.246     -21.950       8.296       0.024     298.621     300.000       7.538    0      -38.521      28.292     -33.410     -16.169      68.135       7.716       0.500     -24.762       0.000       0.000      13.756       4.530       7.506       0.000       0.000       0.000     -12.299      12.218     -34.336       0.000
+       184          18.24      30.450     -22.140       8.309       0.006     300.629     300.000       7.538    0      -38.524      28.288     -33.412     -16.154      68.199       7.718       0.500     -24.773       0.000       0.000      13.754       4.530       7.504       0.000       0.000       0.000     -12.309      12.031     -34.366       0.000
+       185          18.25      30.652     -22.349       8.303       0.006     302.627     300.000       7.538    0      -38.527      28.282     -33.414     -16.141      68.320       7.721       0.499     -24.784       0.000       0.000      13.753       4.529       7.502       0.000       0.000       0.000     -12.319      11.815     -34.394       0.000
+       186          18.26      30.846     -22.570       8.275       0.006     304.540     300.000       7.538    0      -38.530      28.275     -33.416     -16.127      68.518       7.723       0.499     -24.794       0.000       0.000      13.753       4.529       7.500       0.000       0.000       0.000     -12.328      11.578     -34.420       0.000
+       187          18.27      30.999     -22.786       8.212       0.029     306.050     300.000       7.538    0      -38.532      28.268     -33.419     -16.115      68.862       7.726       0.499     -24.805       0.000       0.000      13.753       4.527       7.498       0.000       0.000       0.000     -12.337      11.323     -34.445       0.000
+       188          18.37      32.027     -23.792       8.234       2.233     316.199     300.000       7.541    0      -38.546      28.170     -33.442     -16.029      75.431       7.755       0.501     -24.882       0.000       0.000      13.773       4.504       7.487       0.000       0.000       0.000     -12.398       9.436     -34.597       0.000
+       189          18.47      31.999     -23.746       8.253       1.287     315.927     300.000       7.544    0      -38.557      28.036     -33.464     -16.024      76.332       7.787       0.507     -24.958       0.000       0.000      13.821       4.465       7.471       0.000       0.000       0.000     -12.438       9.656     -34.699       0.000
+       190          18.57      31.037     -22.756       8.280       1.569     306.425     300.000       7.548    0      -38.590      27.886     -33.486     -16.115      75.377       7.819       0.517     -25.041       0.000       0.000      13.854       4.427       7.433       0.000       0.000       0.000     -12.461      11.276     -34.795       0.000
+       191          18.67      31.588     -23.344       8.244       1.879     311.865     300.000       7.550    0      -38.656      27.753     -33.513     -16.262      74.423       7.850       0.529     -25.142       0.000       0.000      13.857       4.409       7.370       0.000       0.000       0.000     -12.472      11.393     -34.915       0.000
+       192          18.77      33.832     -25.919       7.913       1.058     334.026     300.000       7.551    0      -38.756      27.665     -33.558     -16.396      73.432       7.880       0.539     -25.264       0.000       0.000      13.832       4.424       7.288       0.000       0.000       0.000     -12.478       9.467     -35.053       0.000
+       193          18.87      34.968     -27.550       7.418       0.795     345.239     300.000       7.549    0      -38.869      27.634     -33.636     -16.464      72.466       7.914       0.547     -25.406       0.000       0.000      13.789       4.478       7.198       0.000       0.000       0.000     -12.486       8.310     -35.177       0.000
+       194          18.97      33.296     -26.224       7.073       0.915     328.734     300.000       7.547    0      -38.967      27.649     -33.754     -16.454      71.713       7.951       0.549     -25.561       0.000       0.000      13.740       4.565       7.109       0.000       0.000       0.000     -12.502       9.873     -35.253       0.000
+       195          19.07      30.672     -23.689       6.982       1.154     302.823     300.000       7.544    0      -39.025      27.692     -33.908     -16.416      71.333       7.990       0.547     -25.717       0.000       0.000      13.695       4.667       7.032       0.000       0.000       0.000     -12.529      12.455     -35.266       0.000
+       196          19.17      29.896     -22.909       6.987       1.207     295.167     300.000       7.543    0      -39.051      27.744     -34.090     -16.412      71.434       8.028       0.541     -25.868       0.000       0.000      13.660       4.762       6.972       0.000       0.000       0.000     -12.565      13.210     -35.226       0.000
+       197          19.27      31.311     -24.403       6.908       0.991     309.133     300.000       7.543    0      -39.069      27.801     -34.287     -16.450      72.121       8.059       0.534     -26.007       0.000       0.000      13.644       4.831       6.933       0.000       0.000       0.000     -12.602      11.674     -35.149       0.000
+       198          19.38      32.951     -26.251       6.700       0.807     325.326     300.000       7.544    0      -39.100      27.862     -34.486     -16.476      73.282       8.080       0.530     -26.133       0.000       0.000      13.649       4.863       6.913       0.000       0.000       0.000     -12.631       9.750     -35.060       0.000
+       199          19.48      33.154     -26.692       6.462       0.927     327.330     300.000       7.546    0      -39.146      27.920     -34.665     -16.430      74.552       8.089       0.531     -26.244       0.000       0.000      13.674       4.858       6.904       0.000       0.000       0.000     -12.640       9.186     -34.994       0.000
+       200          19.58      32.300     -25.994       6.306       0.839     318.903     300.000       7.548    0      -39.196      27.965     -34.799     -16.309      75.534       8.090       0.537     -26.339       0.000       0.000      13.712       4.829       6.895       0.000       0.000       0.000     -12.621       9.735     -34.988       0.000
+       201          19.68      32.059     -25.898       6.162       0.825     316.520     300.000       7.550    0      -39.229      27.984     -34.867     -16.173      75.887       8.087       0.548     -26.412       0.000       0.000      13.754       4.797       6.877       0.000       0.000       0.000     -12.571       9.723     -35.057       0.000
+       202          19.78      32.921     -27.046       5.876       0.859     325.034     300.000       7.551    0      -39.225      27.972     -34.870     -16.122      75.310       8.087       0.559     -26.462       0.000       0.000      13.786       4.785       6.842       0.000       0.000       0.000     -12.492       8.602     -35.173       0.000
+       203          19.88      33.223     -27.732       5.491       1.457     328.009     300.000       7.552    0      -39.166      27.932     -34.830     -16.244      73.324       8.097       0.569     -26.488       0.000       0.000      13.801       4.815       6.786       0.000       0.000       0.000     -12.391       8.204     -35.275       0.000
+       204          19.98      31.440     -26.160       5.280       1.206     310.406     300.000       7.552    0      -39.043      27.871     -34.781     -16.574      70.422       8.125       0.575     -26.500       0.000       0.000      13.797       4.893       6.703       0.000       0.000       0.000     -12.280      10.275     -35.305       0.000
+       205          20.08      28.933     -23.538       5.396       1.085     285.661     300.000       7.552    0      -38.868      27.789     -34.756     -17.054      68.069       8.173       0.578     -26.507       0.000       0.000      13.778       5.012       6.594       0.000       0.000       0.000     -12.169      13.361     -35.234       0.000
+       206          20.18      28.717     -23.128       5.588       0.942     283.520     300.000       7.552    0      -38.664      27.694     -34.784     -17.547      67.217       8.242       0.578     -26.525       0.000       0.000      13.754       5.146       6.456       0.000       0.000       0.000     -12.065      13.981     -35.058       0.000
+       207          20.28      31.225     -25.670       5.555       1.365     308.283     300.000       7.553    0      -38.466      27.605     -34.882     -17.908      68.291       8.326       0.579     -26.564       0.000       0.000      13.732       5.268       6.295       0.000       0.000       0.000     -11.973      11.252     -34.788       0.000
+       208          20.38      33.559     -28.263       5.296       2.301     331.329     300.000       7.555    0      -38.308      27.551     -35.064     -18.114      70.429       8.418       0.585     -26.632       0.000       0.000      13.721       5.354       6.118       0.000       0.000       0.000     -11.897       8.242     -34.434       0.000
+       209          20.48      33.414     -28.371       5.043       1.978     329.898     300.000       7.557    0      -38.205      27.557     -35.333     -18.302      72.600       8.508       0.601     -26.735       0.000       0.000      13.733       5.399       5.937       0.000       0.000       0.000     -11.838       7.813     -34.010       0.000
+       210          20.58      31.781     -26.893       4.888       0.966     313.777     300.000       7.561    0      -38.162      27.630     -35.674     -18.598      74.259       8.587       0.623     -26.875       0.000       0.000      13.773       5.412       5.766       0.000       0.000       0.000     -11.795       9.285     -33.538       0.000
+       211          20.68      30.759     -25.992       4.767       1.235     303.683     300.000       7.565    0      -38.181      27.752     -36.062     -18.961      75.130       8.646       0.649     -27.045       0.000       0.000      13.838       5.412       5.617       0.000       0.000       0.000     -11.763      10.481     -33.053       0.000
+       212          20.78      30.735     -26.059       4.677       1.519     303.453     300.000       7.568    0      -38.255      27.896     -36.458     -19.253      75.003       8.682       0.672     -27.228       0.000       0.000      13.915       5.420       5.500       0.000       0.000       0.000     -11.736      10.865     -32.594       0.000
+       213          20.88      31.063     -26.415       4.648       1.380     306.684     300.000       7.571    0      -38.360      28.030     -36.820     -19.413      73.800       8.691       0.690     -27.406       0.000       0.000      13.988       5.454       5.420       0.000       0.000       0.000     -11.706      11.013     -32.202       0.000
+       214          20.98      31.707     -27.112       4.595       1.776     313.049     300.000       7.573    0      -38.461      28.132     -37.108     -19.537      71.771       8.678       0.702     -27.556       0.000       0.000      14.046       5.521       5.370       0.000       0.000       0.000     -11.664      10.874     -31.917       0.000
+       215          21.08      32.740     -28.331       4.409       0.935     323.242     300.000       7.574    0      -38.529      28.192     -37.290     -19.741      69.137       8.650       0.713     -27.661       0.000       0.000      14.084       5.613       5.334       0.000       0.000       0.000     -11.608      10.317     -31.761       0.000
+       216          21.18      33.515     -29.390       4.125       0.695     330.899     300.000       7.575    0      -38.557      28.210     -37.354     -19.987      66.339       8.615       0.726     -27.710       0.000       0.000      14.107       5.709       5.293       0.000       0.000       0.000     -11.543       9.909     -31.728       0.000
+       217          21.28      33.577     -29.739       3.838       1.521     331.504     300.000       7.575    0      -38.552      28.195     -37.312     -20.116      64.394       8.583       0.748     -27.702       0.000       0.000      14.123       5.785       5.228       0.000       0.000       0.000     -11.480       9.892     -31.772       0.000
+       218          21.38      33.266     -29.749       3.517       1.134     328.437     300.000       7.577    0      -38.514      28.162     -37.209     -20.061      63.566       8.560       0.780     -27.652       0.000       0.000      14.143       5.822       5.130       0.000       0.000       0.000     -11.434       9.815     -31.829       0.000
+       219          21.48      32.586     -29.410       3.176       1.284     321.720     300.000       7.579    0      -38.433      28.127     -37.106     -19.884      63.244       8.548       0.819     -27.589       0.000       0.000      14.175       5.819       5.003       0.000       0.000       0.000     -11.414       9.879     -31.838       0.000
+       220          21.58      31.068     -28.081       2.986       1.154     306.732     300.000       7.581    0      -38.303      28.102     -37.061     -19.653      63.079       8.546       0.858     -27.541       0.000       0.000      14.216       5.792       4.860       0.000       0.000       0.000     -11.425      10.860     -31.763       0.000
+       221          21.68      29.297     -26.256       3.041       1.050     289.252     300.000       7.583    0      -38.149      28.090     -37.109     -19.409      63.180       8.551       0.891     -27.526       0.000       0.000      14.254       5.763       4.720       0.000       0.000       0.000     -11.459      12.318     -31.593       0.000
+       222          21.78      28.870     -25.675       3.195       1.074     285.038     300.000       7.585    0      -38.016      28.085     -37.246     -19.225      63.381       8.560       0.913     -27.547       0.000       0.000      14.271       5.756       4.597       0.000       0.000       0.000     -11.503      12.643     -31.352       0.000
+       223          21.88      30.253     -27.003       3.250       1.004     298.689     300.000       7.586    0      -37.928      28.079     -37.438     -19.171      63.106       8.573       0.927     -27.592       0.000       0.000      14.246       5.789       4.500       0.000       0.000       0.000     -11.538      11.321     -31.095       0.000
+       224          21.98      31.948     -28.803       3.145       0.903     315.420     300.000       7.586    0      -37.862      28.065     -37.626     -19.245      61.666       8.591       0.934     -27.638       0.000       0.000      14.159       5.864       4.427       0.000       0.000       0.000     -11.552       9.806     -30.894       0.000
+       225          22.08      32.333     -29.344       2.988       1.530     319.222     300.000       7.587    0      -37.788      28.037     -37.749     -19.367      59.416       8.616       0.940     -27.656       0.000       0.000      14.004       5.970       4.366       0.000       0.000       0.000     -11.536       9.612     -30.810       0.000
+       226          22.18      31.517     -28.645       2.871       1.714     311.164     300.000       7.587    0      -37.700      27.986     -37.764     -19.437      57.517       8.647       0.947     -27.623       0.000       0.000      13.794       6.082       4.307       0.000       0.000       0.000     -11.492      10.431     -30.866       0.000
+       227          22.28      30.613     -27.829       2.784       1.569     302.245     300.000       7.589    0      -37.607      27.908     -37.654     -19.414      56.887       8.680       0.956     -27.527       0.000       0.000      13.560       6.171       4.245       0.000       0.000       0.000     -11.430      11.008     -31.046       0.000
+       228          22.38      30.094     -27.340       2.754       1.016     297.119     300.000       7.591    0      -37.512      27.803     -37.432     -19.323      58.072       8.708       0.963     -27.369       0.000       0.000      13.337       6.218       4.182       0.000       0.000       0.000     -11.360      10.908     -31.321       0.000
+       229          22.48      30.026     -27.182       2.843       0.954     296.445     300.000       7.593    0      -37.413      27.677     -37.132     -19.230      60.320       8.721       0.962     -27.169       0.000       0.000      13.145       6.220       4.125       0.000       0.000       0.000     -11.294      10.371     -31.660       0.000
+       230          22.58      30.629     -27.787       2.843       0.602     302.406     300.000       7.596    0      -37.310      27.539     -36.793     -19.218      62.008       8.712       0.951     -26.946       0.000       0.000      12.985       6.186       4.084       0.000       0.000       0.000     -11.240       9.355     -32.039       0.000
+       231          22.68      31.702     -28.905       2.798       1.283     312.998     300.000       7.599    0      -37.211      27.394     -36.448     -19.352      63.389       8.679       0.932     -26.722       0.000       0.000      12.843       6.137       4.060       0.000       0.000       0.000     -11.204       8.146     -32.426       0.000
+       232          22.78      32.356     -29.762       2.594       1.899     319.451     300.000       7.601    0      -37.132      27.242     -36.122     -19.623      62.835       8.627       0.909     -26.510       0.000       0.000      12.691       6.098       4.048       0.000       0.000       0.000     -11.191       7.766     -32.795       0.000
+       233          22.88      32.002     -29.544       2.458       1.756     315.954     300.000       7.603    0      -37.079      27.073     -35.823     -19.931      61.116       8.570       0.888     -26.317       0.000       0.000      12.507       6.083       4.038       0.000       0.000       0.000     -11.200       8.771     -33.134       0.000
+       234          22.98      31.591     -29.190       2.401       1.559     311.896     300.000       7.605    0      -37.041      26.876     -35.549     -20.191      58.969       8.525       0.872     -26.146       0.000       0.000      12.284       6.096       4.019       0.000       0.000       0.000     -11.229       9.967     -33.454       0.000
+       235          23.08      32.424     -30.196       2.228       1.185     320.121     300.000       7.606    0      -37.001      26.660     -35.294     -20.357      56.587       8.507       0.864     -25.996       0.000       0.000      12.022       6.133       3.987       0.000       0.000       0.000     -11.273       9.712     -33.771       0.000
+       236          23.18      33.671     -31.829       1.842       0.646     332.436     300.000       7.607    0      -36.942      26.455     -35.066     -20.369      54.450       8.524       0.862     -25.869       0.000       0.000      11.734       6.183       3.942       0.000       0.000       0.000     -11.326       8.516     -34.080       0.000
+       237          23.28      32.989     -31.547       1.442       1.063     325.705     300.000       7.607    0      -36.860      26.304     -34.886     -20.190      53.118       8.574       0.867     -25.771       0.000       0.000      11.444       6.237       3.888       0.000       0.000       0.000     -11.380       8.739     -34.352       0.000
+       238          23.38      29.739     -28.398       1.341       2.263     293.613     300.000       7.606    0      -36.767      26.235     -34.778     -19.865      52.303       8.645       0.876     -25.708       0.000       0.000      11.171       6.291       3.833       0.000       0.000       0.000     -11.430      11.437     -34.559       0.000
+       239          23.48      26.515     -24.848       1.667       2.060     261.788     300.000       7.606    0      -36.674      26.246     -34.752     -19.517      52.288       8.722       0.884     -25.682       0.000       0.000      10.926       6.341       3.782       0.000       0.000       0.000     -11.468      14.297     -34.684       0.000
+       240          23.58      26.776     -24.692       2.083       1.297     264.357     300.000       7.605    0      -36.588      26.314     -34.803     -19.270      53.045       8.791       0.887     -25.689       0.000       0.000      10.711       6.381       3.738       0.000       0.000       0.000     -11.490      13.743     -34.721       0.000
+       241          23.68      30.411     -28.260       2.151       1.085     300.252     300.000       7.606    0      -36.496      26.404     -34.915     -19.144      54.310       8.843       0.883     -25.719       0.000       0.000      10.526       6.411       3.701       0.000       0.000       0.000     -11.493       9.554     -34.668       0.000
+       242          23.78      33.081     -31.194       1.888       1.303     326.614     300.000       7.608    0      -36.379      26.475     -35.052     -19.021      55.862       8.879       0.871     -25.751       0.000       0.000      10.370       6.430       3.668       0.000       0.000       0.000     -11.477       6.001     -34.543       0.000
+       243          23.88      31.418     -29.693       1.725       1.042     310.190     300.000       7.610    0      -36.230      26.494     -35.169     -18.789      57.460       8.903       0.855     -25.763       0.000       0.000      10.237       6.439       3.639       0.000       0.000       0.000     -11.448       6.795     -34.391       0.000
+       244          23.98      27.247     -25.308       1.939       1.665     269.006     300.000       7.613    0      -36.072      26.446     -35.221     -18.492      58.772       8.924       0.836     -25.740       0.000       0.000      10.120       6.442       3.616       0.000       0.000       0.000     -11.415      10.488     -34.277       0.000
+       245          24.08      24.945     -22.578       2.367       1.104     246.282     300.000       7.616    0      -35.938      26.353     -35.188     -18.253      59.564       8.947       0.818     -25.682       0.000       0.000      10.011       6.442       3.604       0.000       0.000       0.000     -11.388      12.713     -34.251       0.000
+       246          24.18      25.875     -23.148       2.727       1.196     255.467     300.000       7.618    0      -35.851      26.268     -35.095     -18.110      60.016       8.972       0.801     -25.607       0.000       0.000       9.908       6.448       3.611       0.000       0.000       0.000     -11.376      11.798     -34.315       0.000
+       247          24.28      27.370     -24.352       3.017       1.038     270.220     300.000       7.619    0      -35.815      26.247     -34.999     -17.972      60.689       8.993       0.787     -25.546       0.000       0.000       9.815       6.466       3.639       0.000       0.000       0.000     -11.386      10.187     -34.426       0.000
+       248          24.38      27.226     -23.811       3.415       1.336     268.805     300.000       7.618    0      -35.821      26.319     -34.963     -17.750      61.880       9.003       0.778     -25.531       0.000       0.000       9.734       6.495       3.688       0.000       0.000       0.000     -11.418      10.112     -34.526       0.000
+       249          24.48      26.674     -22.792       3.881       0.937     263.349     300.000       7.618    0      -35.853      26.469     -35.026     -17.458      63.097       8.996       0.771     -25.578       0.000       0.000       9.666       6.531       3.745       0.000       0.000       0.000     -11.469      10.461     -34.565       0.000
+       250          24.58      27.552     -23.362       4.191       1.178     272.023     300.000       7.617    0      -35.894      26.655     -35.194     -17.173      63.612       8.972       0.764     -25.684       0.000       0.000       9.610       6.564       3.795       0.000       0.000       0.000     -11.531       9.443     -34.513       0.000
+       251          24.68      28.906     -24.598       4.308       1.584     285.390     300.000       7.617    0      -35.916      26.832     -35.442     -16.939      63.299       8.932       0.756     -25.832       0.000       0.000       9.574       6.584       3.822       0.000       0.000       0.000     -11.596       8.076     -34.362       0.000
+       252          24.78      28.542     -24.082       4.460       1.707     281.798     300.000       7.617    0      -35.883      26.973     -35.728     -16.776      62.566       8.884       0.744     -25.996       0.000       0.000       9.567       6.585       3.815       0.000       0.000       0.000     -11.657       8.683     -34.136       0.000
+       253          24.88      26.612     -21.791       4.821       1.395     262.742     300.000       7.618    0      -35.763      27.076     -36.005     -16.738      61.856       8.836       0.731     -26.150       0.000       0.000       9.592       6.570       3.776       0.000       0.000       0.000     -11.706      11.167     -33.888       0.000
+       254          24.98      25.486     -20.170       5.315       0.564     251.619     300.000       7.618    0      -35.540      27.165     -36.239     -16.847      61.558       8.795       0.718     -26.278       0.000       0.000       9.642       6.549       3.716       0.000       0.000       0.000     -11.743      12.924     -33.685       0.000
+       255          25.08      26.608     -20.864       5.744       0.544     262.700     300.000       7.618    0      -35.256      27.273     -36.422     -17.006      62.101       8.762       0.706     -26.383       0.000       0.000       9.698       6.534       3.654       0.000       0.000       0.000     -11.771      12.099     -33.578       0.000
+       256          25.18      28.923     -22.936       5.988       0.860     285.562     300.000       7.618    0      -35.048      27.430     -36.575     -17.079      63.202       8.740       0.695     -26.477       0.000       0.000       9.737       6.539       3.608       0.000       0.000       0.000     -11.797       9.653     -33.570       0.000
+       257          25.28      30.451     -24.381       6.070       2.196     300.644     300.000       7.616    0      -35.000      27.640     -36.744     -17.047      63.439       8.728       0.684     -26.584       0.000       0.000       9.736       6.574       3.587       0.000       0.000       0.000     -11.823       7.924     -33.620       0.000
+       258          25.38      30.309     -24.217       6.092       1.500     299.244     300.000       7.615    0      -34.991      27.883     -36.973     -17.008      62.387       8.724       0.673     -26.724       0.000       0.000       9.691       6.639       3.591       0.000       0.000       0.000     -11.845       7.991     -33.659       0.000
+       259          25.48      29.008     -22.855       6.153       0.845     286.401     300.000       7.614    0      -34.845      28.114     -37.279     -17.038      60.778       8.723       0.662     -26.900       0.000       0.000       9.614       6.720       3.607       0.000       0.000       0.000     -11.853       9.264     -33.632       0.000
+       260          25.58      27.442     -21.112       6.330       0.596     270.938     300.000       7.614    0      -34.548      28.290     -37.639     -17.089      59.304       8.726       0.656     -27.095       0.000       0.000       9.524       6.801       3.616       0.000       0.000       0.000     -11.838      10.811     -33.511       0.000
+       261          25.68      26.266     -19.602       6.665       0.740     259.328     300.000       7.615    0      -34.231      28.378     -37.994     -17.057      58.219       8.739       0.656     -27.276       0.000       0.000       9.444       6.866       3.599       0.000       0.000       0.000     -11.802      12.054     -33.304       0.000
+       262          25.78      26.005     -18.900       7.105       1.505     256.744     300.000       7.617    0      -34.038      28.375     -38.278     -16.933      57.487       8.767       0.662     -27.409       0.000       0.000       9.394       6.908       3.544       0.000       0.000       0.000     -11.753      12.566     -33.049       0.000
+       263          25.88      26.852     -19.341       7.511       1.408     265.112     300.000       7.621    0      -34.014      28.316     -38.451     -16.832      57.397       8.816       0.673     -27.478       0.000       0.000       9.381       6.928       3.451       0.000       0.000       0.000     -11.699      12.076     -32.800       0.000
+       264          25.98      28.130     -20.348       7.781       1.343     277.726     300.000       7.624    0      -34.102      28.261     -38.514     -16.845      58.517       8.880       0.685     -27.489       0.000       0.000       9.400       6.937       3.334       0.000       0.000       0.000     -11.646      10.993     -32.603       0.000
+       265          26.08      28.619     -20.635       7.984       1.021     282.560     300.000       7.626    0      -34.204      28.272     -38.516     -16.925      60.792       8.950       0.699     -27.476       0.000       0.000       9.431       6.949       3.212       0.000       0.000       0.000     -11.594      10.373     -32.481       0.000
+       266          26.18      27.895     -19.679       8.217       0.577     275.411     300.000       7.628    0      -34.256      28.376     -38.526     -16.988      63.018       9.012       0.713     -27.483       0.000       0.000       9.455       6.976       3.107       0.000       0.000       0.000     -11.542      10.772     -32.435       0.000
+       267          26.28      26.814     -18.262       8.552       0.519     264.734     300.000       7.627    0      -34.241      28.560     -38.607     -17.028      64.636       9.057       0.723     -27.547       0.000       0.000       9.451       7.027       3.028       0.000       0.000       0.000     -11.484      11.548     -32.441       0.000
+       268          26.38      26.530     -17.595       8.935       1.516     261.936     300.000       7.626    0      -34.169      28.784     -38.802     -17.088      65.357       9.085       0.729     -27.687       0.000       0.000       9.410       7.106       2.974       0.000       0.000       0.000     -11.414      11.685     -32.458       0.000
+       269          26.48      27.301     -18.019       9.282       1.090     269.543     300.000       7.625    0      -34.072      29.012     -39.115     -17.143      65.140       9.104       0.731     -27.896       0.000       0.000       9.331       7.214       2.932       0.000       0.000       0.000     -11.325      10.906     -32.442       0.000
+       270          26.58      28.458     -18.909       9.549       1.223     280.965     300.000       7.623    0      -34.003      29.216     -39.518     -17.112      64.572       9.128       0.732     -28.147       0.000       0.000       9.227       7.347       2.887       0.000       0.000       0.000     -11.214       9.703     -32.362       0.000
+       271          26.68      29.244     -19.530       9.714       0.868     288.730     300.000       7.623    0      -34.007      29.385     -39.956     -16.999      64.334       9.168       0.734     -28.400       0.000       0.000       9.120       7.495       2.821       0.000       0.000       0.000     -11.087       8.736     -32.205       0.000
+       272          26.78      29.134     -19.336       9.797       1.079     287.636     300.000       7.623    0      -34.091      29.514     -40.367     -16.944      64.834       9.228       0.736     -28.616       0.000       0.000       9.032       7.640       2.724       0.000       0.000       0.000     -10.958       8.636     -31.990       0.000
+       273          26.88      27.756     -17.818       9.938       1.341     274.035     300.000       7.624    0      -34.207      29.606     -40.701     -17.077      66.203       9.306       0.739     -28.772       0.000       0.000       8.979       7.765       2.595       0.000       0.000       0.000     -10.840       9.979     -31.755       0.000
+       274          26.98      25.561     -15.231      10.330       1.175     252.363     300.000       7.626    0      -34.283      29.673     -40.935     -17.388      68.326       9.387       0.743     -28.869       0.000       0.000       8.969       7.855       2.447       0.000       0.000       0.000     -10.743      12.439     -31.547       0.000
+       275          27.08      24.457     -13.482      10.975       0.925     241.468     300.000       7.628    0      -34.284      29.732     -41.076     -17.735      70.533       9.460       0.748     -28.925       0.000       0.000       8.998       7.905       2.295       0.000       0.000       0.000     -10.671      14.029     -31.406       0.000
+       276          27.18      26.173     -14.684      11.489       0.532     258.404     300.000       7.630    0      -34.250      29.796     -41.158     -17.997      71.160       9.514       0.752     -28.972       0.000       0.000       9.053       7.925       2.153       0.000       0.000       0.000     -10.620      12.835     -31.343       0.000
+       277          27.28      29.315     -17.647      11.669       0.608     289.429     300.000       7.631    0      -34.242      29.880     -41.227     -18.158      70.726       9.550       0.755     -29.037       0.000       0.000       9.114       7.933       2.030       0.000       0.000       0.000     -10.590      10.011     -31.328       0.000
+       278          27.38      30.491     -18.803      11.688       0.989     301.036     300.000       7.633    0      -34.275      29.995     -41.319     -18.200      70.158       9.575       0.754     -29.133       0.000       0.000       9.160       7.949       1.928       0.000       0.000       0.000     -10.580       8.932     -31.324       0.000
+       279          27.48      28.780     -16.896      11.884       1.828     284.141     300.000       7.635    0      -34.351      30.148     -41.449     -18.113      69.219       9.606       0.751     -29.253       0.000       0.000       9.175       7.991       1.838       0.000       0.000       0.000     -10.594      10.839     -31.298       0.000
+       280          27.58      27.076     -14.825      12.251       2.107     267.324     300.000       7.637    0      -34.494      30.327     -41.613     -18.003      67.330       9.653       0.745     -29.380       0.000       0.000       9.155       8.060       1.751       0.000       0.000       0.000     -10.640      13.071     -31.230       0.000
+       281          27.68      28.129     -15.612      12.517       1.903     277.723     300.000       7.641    0      -34.719      30.506     -41.795     -18.055      65.160       9.724       0.735     -29.497       0.000       0.000       9.110       8.146       1.658       0.000       0.000       0.000     -10.715      12.757     -31.117       0.000
+       282          27.78      30.793     -18.282      12.511       1.128     304.023     300.000       7.646    0      -34.984      30.654     -41.979     -18.324      63.321       9.809       0.723     -29.591       0.000       0.000       9.059       8.227       1.560       0.000       0.000       0.000     -10.804      10.842     -30.966       0.000
+       283          27.88      31.954     -19.512      12.442       0.820     315.487     300.000       7.650    0      -35.229      30.756     -42.156     -18.643      61.956       9.891       0.712     -29.666       0.000       0.000       9.026       8.280       1.466       0.000       0.000       0.000     -10.884      10.417     -30.782       0.000
+       284          27.98      31.402     -18.917      12.485       0.622     310.029     300.000       7.654    0      -35.430      30.818     -42.336     -18.848      60.894       9.947       0.706     -29.739       0.000       0.000       9.031       8.297       1.390       0.000       0.000       0.000     -10.942      11.705     -30.561       0.000
+       285          28.08      31.728     -19.286      12.442       1.278     313.248     300.000       7.655    0      -35.588      30.864     -42.534     -18.960      59.942       9.963       0.702     -29.832       0.000       0.000       9.086       8.288       1.337       0.000       0.000       0.000     -10.971      11.956     -30.297       0.000
+       286          28.18      33.530     -21.416      12.113       2.274     331.042     300.000       7.655    0      -35.706      30.925     -42.762     -19.096      59.417       9.938       0.699     -29.960       0.000       0.000       9.201       8.280       1.307       0.000       0.000       0.000     -10.973      10.384     -29.994       0.000
+       287          28.28      34.276     -22.594      11.682       2.240     338.407     300.000       7.654    0      -35.810      31.033     -43.011     -19.301      59.950       9.883       0.695     -30.121       0.000       0.000       9.372       8.297       1.292       0.000       0.000       0.000     -10.953       9.579     -29.667       0.000
+       288          28.38      32.685     -21.241      11.444       1.562     322.701     300.000       7.653    0      -35.950      31.199     -43.252     -19.517      61.738       9.819       0.690     -30.292       0.000       0.000       9.590       8.353       1.278       0.000       0.000       0.000     -10.928      11.009     -29.342       0.000
+       289          28.48      31.050     -19.629      11.422       0.774     306.562     300.000       7.652    0      -36.159      31.403     -43.440     -19.686      64.265       9.765       0.689     -30.441       0.000       0.000       9.836       8.440       1.248       0.000       0.000       0.000     -10.916      12.459     -29.050       0.000
+       290          28.58      31.926     -20.645      11.281       0.373     315.204     300.000       7.654    0      -36.425      31.594     -43.531     -19.793      65.578       9.732       0.698     -30.536       0.000       0.000      10.085       8.530       1.190       0.000       0.000       0.000     -10.928      11.399     -28.831       0.000
+       291          28.68      34.342     -23.422      10.920       0.877     339.061     300.000       7.658    0      -36.699      31.715     -43.500     -19.820      66.017       9.722       0.719     -30.562       0.000       0.000      10.315       8.590       1.104       0.000       0.000       0.000     -10.958       8.669     -28.711       0.000
+       292          28.78      35.348     -24.920      10.428       2.331     348.990     300.000       7.663    0      -36.926      31.726     -43.356     -19.771      66.442       9.723       0.752     -30.521       0.000       0.000      10.504       8.594       1.008       0.000       0.000       0.000     -10.993       7.220     -28.684       0.000
+       293          28.88      33.787     -23.766      10.021       1.812     333.582     300.000       7.669    0      -37.087      31.625     -43.139     -19.727      66.785       9.720       0.792     -30.434       0.000       0.000      10.637       8.540       0.927       0.000       0.000       0.000     -11.026       8.556     -28.716       0.000
+       294          28.98      31.213     -21.363       9.850       1.650     308.162     300.000       7.675    0      -37.206      31.439     -42.902     -19.797      67.098       9.700       0.833     -30.325       0.000       0.000      10.708       8.450       0.884       0.000       0.000       0.000     -11.052      11.404     -28.760       0.000
+       295          29.08      30.045     -20.206       9.840       1.425     296.639     300.000       7.680    0      -37.309      31.207     -42.684     -20.018      67.402       9.659       0.866     -30.215       0.000       0.000      10.729       8.355       0.892       0.000       0.000       0.000     -11.067      13.269     -28.784       0.000
+       296          29.18      31.180     -21.379       9.801       1.008     307.841     300.000       7.684    0      -37.399      30.968     -42.507     -20.296      67.660       9.600       0.883     -30.112       0.000       0.000      10.723       8.286       0.950       0.000       0.000       0.000     -11.060      12.862     -28.773       0.000
+       297          29.28      33.443     -23.840       9.603       1.876     330.182     300.000       7.688    0      -37.468      30.749     -42.368     -20.513      67.947       9.535       0.882     -30.015       0.000       0.000      10.721       8.257       1.048       0.000       0.000       0.000     -11.021      10.975     -28.728       0.000
+       298          29.38      35.129     -25.880       9.248       1.475     346.827     300.000       7.691    0      -37.529      30.559     -42.251     -20.675      68.494       9.477       0.864     -29.918       0.000       0.000      10.752       8.268       1.167       0.000       0.000       0.000     -10.952       9.254     -28.659       0.000
+       299          29.48      35.599     -26.811       8.788       1.357     351.470     300.000       7.694    0      -37.605      30.390     -42.135     -20.871      69.447       9.434       0.839     -29.819       0.000       0.000      10.831       8.302       1.286       0.000       0.000       0.000     -10.861       8.516     -28.583       0.000
+       300          29.58      35.093     -26.839       8.254       0.779     346.476     300.000       7.698    0      -37.700      30.224     -42.009     -21.110      70.745       9.410       0.815     -29.721       0.000       0.000      10.953       8.334       1.388       0.000       0.000       0.000     -10.770       8.654     -28.521       0.000
+       301          29.68      33.657     -25.879       7.778       0.954     332.298     300.000       7.703    0      -37.793      30.049     -41.875     -21.307      72.345       9.401       0.801     -29.625       0.000       0.000      11.097       8.345       1.465       0.000       0.000       0.000     -10.699       9.718     -28.483       0.000
+       302          29.78      31.620     -24.065       7.555       1.650     312.188     300.000       7.709    0      -37.843      29.862     -41.743     -21.429      74.326       9.397       0.799     -29.532       0.000       0.000      11.233       8.325       1.524       0.000       0.000       0.000     -10.662      11.527     -28.471       0.000
+       303          29.88      30.522     -22.999       7.523       1.871     301.349     300.000       7.715    0      -37.798      29.666     -41.629     -21.552      76.777       9.383       0.807     -29.449       0.000       0.000      11.337       8.280       1.579       0.000       0.000       0.000     -10.659      12.504     -28.487       0.000
+       304          29.98      31.366     -23.966       7.400       1.375     309.678     300.000       7.721    0      -37.612      29.467     -41.543     -21.737      79.728       9.353       0.821     -29.381       0.000       0.000      11.397       8.226       1.648       0.000       0.000       0.000     -10.685      11.350     -28.535       0.000
+       305          30.08      32.564     -25.419       7.145       0.966     321.506     300.000       7.727    0      -37.301      29.272     -41.487     -21.925      83.094       9.304       0.833     -29.328       0.000       0.000      11.416       8.178       1.742       0.000       0.000       0.000     -10.733       9.539     -28.610       0.000
+       306          30.18      32.183     -25.183       7.000       0.890     317.743     300.000       7.732    0      -37.033      29.085     -41.447     -22.018      86.480       9.243       0.842     -29.283       0.000       0.000      11.413       8.147       1.857       0.000       0.000       0.000     -10.799       9.379     -28.700       0.000
+       307          30.28      31.333     -24.319       7.014       0.641     309.351     300.000       7.736    0      -37.053      28.906     -41.396     -22.012      89.118       9.179       0.847     -29.229       0.000       0.000      11.406       8.131       1.980       0.000       0.000       0.000     -10.883      10.221     -28.792       0.000
+       308          30.38      32.444     -25.569       6.875       1.137     320.323     300.000       7.740    0      -37.386      28.728     -41.299     -21.967      90.417       9.120       0.850     -29.146       0.000       0.000      11.412       8.124       2.093       0.000       0.000       0.000     -10.985       9.500     -28.897       0.000
+       309          30.48      34.659     -28.280       6.379       1.588     342.189     300.000       7.743    0      -37.793      28.549     -41.130     -21.874      91.452       9.070       0.855     -29.019       0.000       0.000      11.433       8.118       2.178       0.000       0.000       0.000     -11.098       7.347     -29.032       0.000
+       310          30.58      34.314     -28.438       5.876       1.234     338.782     300.000       7.747    0      -38.041      28.367     -40.891     -21.668      94.133       9.032       0.860     -28.853       0.000       0.000      11.458       8.107       2.229       0.000       0.000       0.000     -11.213       7.082     -29.205       0.000
+       311          30.68      30.682     -24.936       5.746       1.007     302.921     300.000       7.750    0      -38.076      28.182     -40.623     -21.363      97.710       9.004       0.863     -28.669       0.000       0.000      11.474       8.096       2.255       0.000       0.000       0.000     -11.319       9.904     -29.387       0.000
+       312          30.78      27.518     -21.553       5.965       0.674     271.688     300.000       7.753    0      -37.979      27.994     -40.381     -21.076     100.965       8.980       0.860     -28.500       0.000       0.000      11.475       8.087       2.274       0.000       0.000       0.000     -11.414      12.519     -29.532       0.000
+       313          30.79      26.744     -20.918       5.826       0.492     264.049     300.000       7.753    0      -37.963      27.971     -40.357     -21.048     104.115       8.977       0.859     -28.482       0.000       0.000      11.475       8.086       2.278       0.000       0.000       0.000     -11.425      12.619     -29.545       0.000
+       314          30.89      27.547     -23.261       4.285       4.199     271.969     300.000       7.755    0      -37.849      27.805     -40.209     -20.959     102.016       8.947       0.859     -28.372       0.000       0.000      11.563       8.069       2.335       0.000       0.000       0.000     -11.509      10.602     -29.616       0.000
+       315          30.99      30.998     -26.672       4.326       0.579     306.044     300.000       7.757    0      -37.796      27.665     -40.174     -21.017     102.314       8.909       0.852     -28.327       0.000       0.000      11.655       8.051       2.424       0.000       0.000       0.000     -11.593       7.439     -29.584       0.000
+       316          31.09      32.229     -27.989       4.240       1.158     318.198     300.000       7.759    0      -37.806      27.559     -40.232     -21.150     102.397       8.863       0.841     -28.341       0.000       0.000      11.761       8.022       2.547       0.000       0.000       0.000     -11.682       6.627     -29.477       0.000
+       317          31.19      30.958     -26.751       4.207       1.359     305.650     300.000       7.762    0      -37.843      27.479     -40.323     -21.300     102.331       8.810       0.828     -28.384       0.000       0.000      11.891       7.969       2.695       0.000       0.000       0.000     -11.776       8.487     -29.370       0.000
+       318          31.29      29.391     -25.126       4.265       1.279     290.177     300.000       7.765    0      -37.848      27.405     -40.370     -21.467     102.038       8.753       0.817     -28.418       0.000       0.000      12.042       7.883       2.849       0.000       0.000       0.000     -11.868      10.760     -29.345       0.000
+       319          31.39      29.215     -24.849       4.367       1.235     288.445     300.000       7.769    0      -37.770      27.324     -40.320     -21.628     101.409       8.697       0.809     -28.416       0.000       0.000      12.203       7.767       2.991       0.000       0.000       0.000     -11.951      11.601     -29.444       0.000
+       320          31.49      30.439     -26.012       4.427       1.017     300.527     300.000       7.773    0      -37.608      27.240     -40.166     -21.715     100.306       8.646       0.804     -28.373       0.000       0.000      12.361       7.642       3.107       0.000       0.000       0.000     -12.018      10.811     -29.646       0.000
+       321          31.59      32.081     -27.732       4.348       0.911     316.733     300.000       7.777    0      -37.403      27.163     -39.944     -21.773      98.361       8.600       0.800     -28.304       0.000       0.000      12.504       7.535       3.192       0.000       0.000       0.000     -12.067       9.406     -29.887       0.000
+       322          31.69      33.008     -28.886       4.122       1.083     325.892     300.000       7.781    0      -37.206      27.095     -39.716     -21.930      94.954       8.558       0.795     -28.235       0.000       0.000      12.633       7.466       3.249       0.000       0.000       0.000     -12.102       8.843     -30.099       0.000
+       323          31.79      32.705     -28.821       3.884       0.985     322.896     300.000       7.784    0      -37.044      27.034     -39.533     -22.172      90.481       8.516       0.787     -28.190       0.000       0.000      12.756       7.436       3.289       0.000       0.000       0.000     -12.125       9.777     -30.246       0.000
+       324          31.89      31.788     -28.060       3.728       0.606     313.843     300.000       7.787    0      -36.909      26.982     -39.417     -22.283      86.311       8.471       0.777     -28.176       0.000       0.000      12.883       7.430       3.323       0.000       0.000       0.000     -12.138      11.253     -30.330       0.000
+       325          31.99      31.433     -27.811       3.623       1.292     310.341     300.000       7.788    0      -36.781      26.944     -39.359     -22.085      83.129       8.420       0.768     -28.186       0.000       0.000      13.023       7.420       3.359       0.000       0.000       0.000     -12.139      11.734     -30.383       0.000
+       326          32.09      32.147     -28.657       3.490       1.591     317.387     300.000       7.790    0      -36.642      26.931     -39.331     -21.666      81.037       8.365       0.762     -28.204       0.000       0.000      13.176       7.384       3.398       0.000       0.000       0.000     -12.124      10.695     -30.445       0.000
+       327          32.19      33.386     -30.164       3.222       1.395     329.624     300.000       7.792    0      -36.490      26.949     -39.306     -21.226      80.129       8.310       0.758     -28.217       0.000       0.000      13.331       7.307       3.439       0.000       0.000       0.000     -12.092       8.757     -30.547       0.000
+       328          32.29      33.706     -30.900       2.807       1.040     332.784     300.000       7.794    0      -36.329      27.002     -39.266     -20.798      80.612       8.261       0.756     -28.218       0.000       0.000      13.472       7.197       3.477       0.000       0.000       0.000     -12.045       7.333     -30.685       0.000
+       329          32.39      31.800     -29.266       2.534       0.721     313.964     300.000       7.797    0      -36.155      27.084     -39.205     -20.311      81.928       8.218       0.752     -28.210       0.000       0.000      13.588       7.075       3.517       0.000       0.000       0.000     -11.991       8.002     -30.837       0.000
+       330          32.49      28.764     -26.136       2.628       0.728     283.992     300.000       7.799    0      -35.979      27.179     -39.125     -19.821      82.278       8.181       0.742     -28.194       0.000       0.000      13.675       6.968       3.566       0.000       0.000       0.000     -11.940      10.250     -30.984       0.000
+       331          32.59      27.682     -24.807       2.875       0.845     273.306     300.000       7.801    0      -35.845      27.264     -39.025     -19.464      81.244       8.145       0.726     -28.174       0.000       0.000      13.742       6.898       3.631       0.000       0.000       0.000     -11.898      11.079     -31.115       0.000
+       332          32.69      29.371     -26.445       2.926       0.997     289.982     300.000       7.802    0      -35.794      27.310     -38.908     -19.280      79.840       8.110       0.706     -28.147       0.000       0.000      13.800       6.869       3.717       0.000       0.000       0.000     -11.873       9.292     -31.227       0.000
+       333          32.79      30.774     -27.920       2.853       1.700     303.829     300.000       7.803    0      -35.813      27.299     -38.769     -19.186      78.494       8.075       0.688     -28.111       0.000       0.000      13.858       6.869       3.824       0.000       0.000       0.000     -11.869       7.881     -31.317       0.000
+       334          32.89      29.821     -26.823       2.998       1.574     294.428     300.000       7.804    0      -35.852      27.231     -38.613     -19.114      77.318       8.042       0.676     -28.063       0.000       0.000      13.922       6.873       3.942       0.000       0.000       0.000     -11.891       9.135     -31.386       0.000
+       335          32.99      28.955     -25.699       3.256       1.078     285.873     300.000       7.806    0      -35.878      27.126     -38.450     -19.091      76.171       8.014       0.673     -28.006       0.000       0.000      13.994       6.856       4.057       0.000       0.000       0.000     -11.939      10.536     -31.432       0.000
+       336          33.09      30.565     -27.325       3.240       0.635     301.772     300.000       7.809    0      -35.891      27.019     -38.305     -19.155      75.011       7.993       0.677     -27.951       0.000       0.000      14.073       6.804       4.155       0.000       0.000       0.000     -12.012       9.355     -31.441       0.000
+       337          33.19      32.531     -29.527       3.004       0.915     321.175     300.000       7.813    0      -35.906      26.944     -38.211     -19.277      74.041       7.978       0.683     -27.912       0.000       0.000      14.149       6.718       4.228       0.000       0.000       0.000     -12.100       7.693     -31.395       0.000
+       338          33.29      32.215     -29.305       2.911       1.481     318.061     300.000       7.819    0      -35.918      26.909     -38.192     -19.407      73.239       7.972       0.687     -27.903       0.000       0.000      14.215       6.617       4.274       0.000       0.000       0.000     -12.190       8.459     -31.291       0.000
+       339          33.39      31.253     -28.330       2.923       1.055     308.560     300.000       7.826    0      -35.914      26.902     -38.248     -19.511      72.429       7.976       0.686     -27.926       0.000       0.000      14.262       6.527       4.297       0.000       0.000       0.000     -12.266       9.922     -31.146       0.000
+       340          33.49      31.994     -29.281       2.713       1.666     315.874     300.000       7.832    0      -35.893      26.904     -38.353     -19.543      71.516       7.992       0.679     -27.971       0.000       0.000      14.289       6.475       4.302       0.000       0.000       0.000     -12.318       9.312     -30.989       0.000
+       341          33.59      32.817     -30.460       2.357       1.296     324.003     300.000       7.838    0      -35.875      26.910     -38.465     -19.442      70.544       8.019       0.672     -28.018       0.000       0.000      14.296       6.474       4.295       0.000       0.000       0.000     -12.341       8.214     -30.852       0.000
+       342          33.69      31.469     -29.222       2.247       1.448     310.694     300.000       7.842    0      -35.890      26.915     -38.534     -19.241      69.636       8.050       0.667     -28.043       0.000       0.000      14.284       6.518       4.278       0.000       0.000       0.000     -12.333       9.306     -30.755       0.000
+       343          33.79      29.862     -27.480       2.381       1.335     294.824     300.000       7.845    0      -35.954      26.906     -38.522     -19.115      68.825       8.081       0.672     -28.025       0.000       0.000      14.259       6.586       4.251       0.000       0.000       0.000     -12.298      10.921     -30.714       0.000
+       344          33.89      30.985     -28.645       2.340       1.214     305.915     300.000       7.847    0      -36.040      26.860     -38.411     -19.214      68.062       8.104       0.687     -27.957       0.000       0.000      14.226       6.644       4.218       0.000       0.000       0.000     -12.239       9.879     -30.737       0.000
+       345          33.99      33.371     -31.399       1.972       1.558     329.469     300.000       7.847    0      -36.097      26.769     -38.215     -19.501      67.390       8.112       0.711     -27.843       0.000       0.000      14.191       6.668       4.184       0.000       0.000       0.000     -12.163       7.458     -30.819       0.000
+       346          34.09      33.076     -31.434       1.642       1.581     326.563     300.000       7.848    0      -36.078      26.641     -37.969     -19.782      66.925       8.107       0.739     -27.699       0.000       0.000      14.152       6.647       4.163       0.000       0.000       0.000     -12.078       7.711     -30.948       0.000
+       347          34.19      30.049     -28.384       1.664       1.066     296.671     300.000       7.849    0      -35.982      26.486     -37.711     -19.881      66.685       8.092       0.764     -27.541       0.000       0.000      14.100       6.595       4.162       0.000       0.000       0.000     -11.989      10.796     -31.111       0.000
+       348          34.29      28.336     -26.454       1.882       0.964     279.762     300.000       7.852    0      -35.845      26.320     -37.462     -19.767      66.540       8.077       0.777     -27.380       0.000       0.000      14.023       6.536       4.185       0.000       0.000       0.000     -11.901      12.492     -31.304       0.000
+       349          34.39      30.203     -28.296       1.908       0.522     298.200     300.000       7.855    0      -35.708      26.158     -37.226     -19.530      66.293       8.072       0.777     -27.216       0.000       0.000      13.914       6.496       4.228       0.000       0.000       0.000     -11.814      10.255     -31.518       0.000
+       350          34.49      32.901     -31.276       1.624       0.359     324.828     300.000       7.859    0      -35.587      26.019     -36.993     -19.271      65.948       8.084       0.765     -27.044       0.000       0.000      13.774       6.493       4.282       0.000       0.000       0.000     -11.727       6.779     -31.731       0.000
+       351          34.59      32.374     -31.008       1.366       2.806     319.634     300.000       7.863    0      -35.471      25.907     -36.744     -19.068      65.618       8.111       0.747     -26.853       0.000       0.000      13.613       6.525       4.335       0.000       0.000       0.000     -11.641       6.477     -31.915       0.000
+       352          34.69      28.884     -27.408       1.476       2.408     285.175     300.000       7.867    0      -35.340      25.802     -36.458     -19.025      65.307       8.148       0.731     -26.633       0.000       0.000      13.445       6.574       4.375       0.000       0.000       0.000     -11.556       9.571     -32.059       0.000
+       353          34.79      26.832     -24.991       1.841       1.406     264.912     300.000       7.871    0      -35.190      25.668     -36.123     -19.245      65.745       8.188       0.723     -26.381       0.000       0.000      13.282       6.617       4.392       0.000       0.000       0.000     -11.479      11.640     -32.169       0.000
+       354          34.89      28.819     -26.819       2.000       0.636     284.531     300.000       7.874    0      -35.047      25.475     -35.742     -19.659      67.287       8.228       0.725     -26.103       0.000       0.000      13.136       6.637       4.381       0.000       0.000       0.000     -11.413       9.616     -32.255       0.000
+       355          34.99      31.850     -30.020       1.829       0.411     314.451     300.000       7.876    0      -34.943      25.218     -35.341     -19.991      68.974       8.264       0.733     -25.815       0.000       0.000      13.014       6.632       4.346       0.000       0.000       0.000     -11.354       6.291     -32.323       0.000
+       356          35.09      31.534     -29.826       1.707       0.657     311.332     300.000       7.878    0      -34.892      24.926     -34.956     -20.024      69.883       8.299       0.743     -25.533       0.000       0.000      12.916       6.613       4.294       0.000       0.000       0.000     -11.292       6.314     -32.373       0.000
+       357          35.19      28.627     -26.691       1.936       1.786     282.637     300.000       7.881    0      -34.891      24.639     -34.614     -19.829      70.601       8.338       0.749     -25.274       0.000       0.000      12.830       6.602       4.236       0.000       0.000       0.000     -11.215       9.123     -32.413       0.000
+       358          35.29      27.587     -25.404       2.183       1.663     272.368     300.000       7.883    0      -34.929      24.400     -34.331     -19.612      71.462       8.384       0.748     -25.050       0.000       0.000      12.738       6.616       4.181       0.000       0.000       0.000     -11.115       9.998     -32.452       0.000
+       359          35.39      29.100     -26.942       2.158       1.202     287.308     300.000       7.886    0      -34.962      24.240     -34.109     -19.472      72.298       8.437       0.744     -24.862       0.000       0.000      12.629       6.660       4.138       0.000       0.000       0.000     -10.997       7.989     -32.503       0.000
+       360          35.49      29.235     -27.059       2.176       1.025     288.639     300.000       7.888    0      -34.942      24.164     -33.931     -19.383      72.858       8.490       0.739     -24.703       0.000       0.000      12.505       6.719       4.113       0.000       0.000       0.000     -10.883       7.308     -32.576       0.000
+       361          35.59      26.799     -24.221       2.578       0.683     264.587     300.000       7.892    0      -34.886      24.146     -33.766     -19.337      72.977       8.534       0.740     -24.561       0.000       0.000      12.383       6.769       4.109       0.000       0.000       0.000     -10.800       9.627     -32.676       0.000
+       362          35.69      25.515     -22.402       3.113       0.678     251.906     300.000       7.895    0      -34.855      24.135     -33.584     -19.398      72.690       8.560       0.748     -24.422       0.000       0.000      12.280       6.783       4.129       0.000       0.000       0.000     -10.772      11.251     -32.803       0.000
+       363          35.79      27.485     -24.090       3.396       0.694     271.363     300.000       7.898    0      -34.854      24.090     -33.369     -19.581      72.613       8.561       0.763     -24.276       0.000       0.000      12.208       6.748       4.172       0.000       0.000       0.000     -10.797       9.695     -32.945       0.000
+       364          35.89      29.948     -26.443       3.505       1.402     295.679     300.000       7.901    0      -34.818      23.999     -33.125     -19.784      73.604       8.537       0.780     -24.124       0.000       0.000      12.173       6.672       4.230       0.000       0.000       0.000     -10.853       7.455     -33.077       0.000
+       365          35.99      30.431     -26.782       3.649       1.170     300.447     300.000       7.902    0      -34.727      23.881     -32.873     -19.910      74.232       8.494       0.793     -23.973       0.000       0.000      12.168       6.580       4.292       0.000       0.000       0.000     -10.904       7.219     -33.176       0.000
+       366          36.09      29.887     -26.145       3.742       0.879     295.078     300.000       7.903    0      -34.631      23.767     -32.626     -19.984      73.144       8.443       0.799     -23.827       0.000       0.000      12.184       6.501       4.348       0.000       0.000       0.000     -10.927       8.146     -33.237       0.000
+       367          36.19      29.711     -25.959       3.752       1.081     293.335     300.000       7.902    0      -34.588      23.683     -32.402     -20.082      71.747       8.392       0.797     -23.693       0.000       0.000      12.219       6.458       4.393       0.000       0.000       0.000     -10.917       8.662     -33.266       0.000
+       368          36.29      29.525     -25.742       3.784       1.067     291.504     300.000       7.901    0      -34.613      23.646     -32.219     -20.191      71.102       8.344       0.791     -23.582       0.000       0.000      12.277       6.457       4.427       0.000       0.000       0.000     -10.888       9.070     -33.270       0.000
+       369          36.39      29.045     -25.075       3.970       0.952     286.759     300.000       7.900    0      -34.706      23.656     -32.093     -20.246      71.568       8.298       0.786     -23.503       0.000       0.000      12.370       6.482       4.457       0.000       0.000       0.000     -10.863       9.704     -33.260       0.000
+       370          36.49      29.511     -25.342       4.168       1.029     291.361     300.000       7.900    0      -34.875      23.698     -32.031     -20.264      72.362       8.251       0.785     -23.462       0.000       0.000      12.508       6.506       4.495       0.000       0.000       0.000     -10.862       9.433     -33.246       0.000
+       371          36.59      31.434     -27.297       4.137       1.125     310.345     300.000       7.900    0      -35.110      23.749     -32.034     -20.330      72.400       8.201       0.788     -23.467       0.000       0.000      12.697       6.501       4.552       0.000       0.000       0.000     -10.891       7.852     -33.229       0.000
+       372          36.69      33.146     -29.229       3.917       0.809     327.251     300.000       7.901    0      -35.360      23.793     -32.107     -20.451      72.117       8.148       0.792     -23.520       0.000       0.000      12.930       6.452       4.636       0.000       0.000       0.000     -10.935       6.574     -33.205       0.000
+       373          36.79      33.112     -29.438       3.674       1.089     326.918     300.000       7.903    0      -35.580      23.831     -32.248     -20.531      71.788       8.098       0.794     -23.620       0.000       0.000      13.187       6.368       4.745       0.000       0.000       0.000     -10.973       7.051     -33.160       0.000
+       374          36.89      31.973     -28.432       3.542       0.937     315.673     300.000       7.905    0      -35.755      23.879     -32.447     -20.508      71.059       8.055       0.787     -23.754       0.000       0.000      13.434       6.273       4.866       0.000       0.000       0.000     -10.989       8.653     -33.088       0.000
+       375          36.99      31.755     -28.288       3.467       1.335     313.516     300.000       7.906    0      -35.882      23.959     -32.679     -20.438      68.884       8.025       0.772     -23.903       0.000       0.000      13.639       6.199       4.981       0.000       0.000       0.000     -10.980       9.425     -32.990       0.000
+       376          37.09      33.232     -30.043       3.189       1.110     328.097     300.000       7.907    0      -35.939      24.081     -32.910     -20.378      64.767       8.012       0.748     -24.043       0.000       0.000      13.785       6.163       5.077       0.000       0.000       0.000     -10.957       8.379     -32.883       0.000
+       377          37.19      34.639     -31.907       2.731       0.999     341.987     300.000       7.907    0      -35.905      24.239     -33.105     -20.308      60.806       8.014       0.722     -24.152       0.000       0.000      13.866       6.167       5.145       0.000       0.000       0.000     -10.939       6.910     -32.789       0.000
+       378          37.29      33.806     -31.483       2.324       0.947     333.772     300.000       7.908    0      -35.784      24.409     -33.237     -20.209      58.163       8.028       0.697     -24.217       0.000       0.000      13.889       6.195       5.187       0.000       0.000       0.000     -10.945       7.273     -32.729       0.000
+       379          37.39      31.325     -29.148       2.178       0.889     309.277     300.000       7.909    0      -35.595      24.555     -33.299     -20.123      57.009       8.043       0.677     -24.240       0.000       0.000      13.874       6.217       5.214       0.000       0.000       0.000     -10.986       9.252     -32.718       0.000
+       380          37.49      29.884     -27.734       2.150       0.731     295.047     300.000       7.911    0      -35.346      24.651     -33.308     -20.085      57.086       8.050       0.664     -24.234       0.000       0.000      13.851       6.209       5.241       0.000       0.000       0.000     -11.061      10.209     -32.752       0.000
+       381          37.59      30.282     -28.227       2.054       0.965     298.971     300.000       7.914    0      -35.019      24.693     -33.301     -20.036      57.808       8.041       0.656     -24.220       0.000       0.000      13.847       6.161       5.285       0.000       0.000       0.000     -11.157       9.207     -32.802       0.000
+       382          37.69      30.551     -28.565       1.985       0.999     301.628     300.000       7.916    0      -34.614      24.705     -33.324     -19.879      57.297       8.016       0.650     -24.219       0.000       0.000      13.877       6.087       5.351       0.000       0.000       0.000     -11.254       8.459     -32.827       0.000
+       383          37.79      29.514     -27.435       2.079       0.922     291.395     300.000       7.919    0      -34.168      24.718     -33.412     -19.612      54.753       7.979       0.642     -24.244       0.000       0.000      13.946       6.014       5.438       0.000       0.000       0.000     -11.336       9.366     -32.792       0.000
+       384          37.89      28.685     -26.413       2.272       0.957     283.211     300.000       7.919    0      -33.735      24.758     -33.574     -19.389      51.790       7.940       0.630     -24.296       0.000       0.000      14.041       5.975       5.533       0.000       0.000       0.000     -11.396      10.234     -32.675       0.000
+       385          37.99      29.328     -26.982       2.346       1.333     289.559     300.000       7.919    0      -33.340      24.835     -33.790     -19.354      49.218       7.909       0.615     -24.364       0.000       0.000      14.138       5.990       5.616       0.000       0.000       0.000     -11.432       9.572     -32.478       0.000
+       386          38.09      30.239     -27.868       2.370       1.487     298.547     300.000       7.917    0      -32.996      24.943     -34.010     -19.507      47.095       7.889       0.601     -24.429       0.000       0.000      14.218       6.057       5.669       0.000       0.000       0.000     -11.449       8.644     -32.232       0.000
+       387          38.19      30.476     -27.989       2.486       1.441     300.886     300.000       7.915    0      -32.775      25.053     -34.172     -19.763      45.406       7.884       0.593     -24.468       0.000       0.000      14.267       6.152       5.680       0.000       0.000       0.000     -11.458       8.576     -31.994       0.000
+       388          38.29      31.198     -28.681       2.517       1.043     308.019     300.000       7.914    0      -32.785      25.130     -34.229     -20.018      44.333       7.889       0.594     -24.466       0.000       0.000      14.284       6.241       5.650       0.000       0.000       0.000     -11.472       8.131     -31.825       0.000
+       389          38.39      32.686     -30.409       2.277       0.889     322.709     300.000       7.915    0      -33.050      25.148     -34.172     -20.133      44.235       7.897       0.604     -24.423       0.000       0.000      14.282       6.294       5.592       0.000       0.000       0.000     -11.500       6.757     -31.745       0.000
+       390          38.49      32.948     -30.971       1.977       0.774     325.297     300.000       7.917    0      -33.448      25.107     -34.044     -19.992      45.318       7.902       0.620     -24.348       0.000       0.000      14.277       6.298       5.530       0.000       0.000       0.000     -11.549       6.385     -31.714       0.000
+       391          38.59      31.307     -29.418       1.889       1.123     309.097     300.000       7.921    0      -33.808      25.030     -33.921     -19.617      47.150       7.897       0.636     -24.269       0.000       0.000      14.280       6.264       5.488       0.000       0.000       0.000     -11.619       7.831     -31.659       0.000
+       392          38.69      29.923     -28.011       1.913       1.139     295.434     300.000       7.926    0      -34.023      24.953     -33.875     -19.176      48.820       7.882       0.648     -24.215       0.000       0.000      14.294       6.213       5.482       0.000       0.000       0.000     -11.704       8.990     -31.512       0.000
+       393          38.79      30.251     -28.382       1.868       1.439     298.664     300.000       7.930    0      -34.063      24.909     -33.949     -18.875      50.179       7.860       0.653     -24.205       0.000       0.000      14.309       6.174       5.512       0.000       0.000       0.000     -11.798       8.370     -31.238       0.000
+       394          38.89      31.008     -29.236       1.772       1.166     306.144     300.000       7.934    0      -33.937      24.921     -34.137     -18.822      51.615       7.835       0.649     -24.239       0.000       0.000      14.308       6.169       5.567       0.000       0.000       0.000     -11.890       7.257     -30.842       0.000
+       395          38.99      30.762     -28.987       1.775       0.862     303.718     300.000       7.937    0      -33.682      24.987     -34.386     -19.001      52.704       7.815       0.640     -24.298       0.000       0.000      14.275       6.203       5.625       0.000       0.000       0.000     -11.973       7.281     -30.380       0.000
+       396          39.09      29.925     -28.159       1.766       1.026     295.451     300.000       7.940    0      -33.385      25.076     -34.619     -19.328      51.510       7.803       0.631     -24.352       0.000       0.000      14.201       6.267       5.661       0.000       0.000       0.000     -12.044       8.261     -29.947       0.000
+       397          39.19      29.579     -27.716       1.863       1.046     292.035     300.000       7.944    0      -33.158      25.144     -34.765     -19.683      50.293       7.805       0.626     -24.378       0.000       0.000      14.088       6.336       5.659       0.000       0.000       0.000     -12.103       8.939     -29.649       0.000
+       398          39.29      30.273     -28.380       1.893       1.077     298.881     300.000       7.948    0      -33.070      25.151     -34.785     -19.932      50.507       7.819       0.630     -24.360       0.000       0.000      13.942       6.384       5.611       0.000       0.000       0.000     -12.150       8.375     -29.545       0.000
+       399          39.39      31.147     -29.382       1.765       0.770     307.519     300.000       7.952    0      -33.114      25.086     -34.689     -19.978      52.091       7.842       0.645     -24.305       0.000       0.000      13.776       6.396       5.527       0.000       0.000       0.000     -12.183       7.272     -29.600       0.000
+       400          39.49      30.446     -28.767       1.679       0.772     300.595     300.000       7.957    0      -33.245      24.973     -34.536     -19.842      54.668       7.865       0.668     -24.233       0.000       0.000      13.610       6.376       5.425       0.000       0.000       0.000     -12.199       7.606     -29.710       0.000
+       401          39.59      28.382     -26.487       1.895       1.450     280.219     300.000       7.961    0      -33.432      24.847     -34.393     -19.672      57.123       7.881       0.694     -24.170       0.000       0.000      13.462       6.338       5.329       0.000       0.000       0.000     -12.199       9.701     -29.771       0.000
+       402          39.69      27.901     -25.652       2.249       1.284     275.465     300.000       7.964    0      -33.662      24.742     -34.310     -19.650      58.405       7.887       0.719     -24.136       0.000       0.000      13.348       6.307       5.256       0.000       0.000       0.000     -12.190      10.763     -29.731       0.000
+       403          39.79      30.782     -28.451       2.331       0.946     303.912     300.000       7.965    0      -33.906      24.682     -34.299     -19.881      58.608       7.881       0.738     -24.135       0.000       0.000      13.276       6.300       5.215       0.000       0.000       0.000     -12.181       8.618     -29.602       0.000
+       404          39.89      34.443     -32.434       2.009       1.384     340.053     300.000       7.966    0      -34.095      24.672     -34.327     -20.333      58.460       7.868       0.750     -24.152       0.000       0.000      13.244       6.326       5.202       0.000       0.000       0.000     -12.174       5.427     -29.457       0.000
+       405          39.99      35.232     -33.616       1.616       1.272     347.850     300.000       7.965    0      -34.147      24.689     -34.334     -20.848      59.690       7.854       0.758     -24.162       0.000       0.000      13.242       6.377       5.203       0.000       0.000       0.000     -12.169       4.600     -29.403       0.000
+       406          40.09      33.429     -32.115       1.313       0.775     330.042     300.000       7.965    0      -34.021      24.684     -34.249     -21.246      62.360       7.847       0.767     -24.133       0.000       0.000      13.254       6.433       5.197       0.000       0.000       0.000     -12.159       5.798     -29.533       0.000
+       407          40.19      31.366     -30.346       1.020       1.494     309.680     300.000       7.965    0      -33.731      24.606     -34.026     -21.415      65.963       7.850       0.777     -24.041       0.000       0.000      13.265       6.472       5.175       0.000       0.000       0.000     -12.138       6.649     -29.871       0.000
+       408          40.29      29.609     -28.721       0.887       1.639     292.326     300.000       7.967    0      -33.327      24.430     -33.653     -21.366      70.587       7.864       0.791     -23.877       0.000       0.000      13.259       6.477       5.134       0.000       0.000       0.000     -12.102       6.850     -30.345       0.000
+       409          40.39      27.845     -26.814       1.031       1.277     274.915     300.000       7.970    0      -32.882      24.165     -33.163     -21.228      75.127       7.883       0.807     -23.646       0.000       0.000      13.226       6.445       5.081       0.000       0.000       0.000     -12.051       7.267     -30.832       0.000
+       410          40.49      26.832     -25.488       1.344       1.275     264.909     300.000       7.974    0      -32.477      23.841     -32.617     -21.165      79.164       7.903       0.822     -23.372       0.000       0.000      13.164       6.389       5.024       0.000       0.000       0.000     -11.988       7.387     -31.222       0.000
+       411          40.59      27.125     -25.506       1.619       0.722     267.806     300.000       7.978    0      -32.160      23.506     -32.087     -21.264      82.760       7.919       0.830     -23.086       0.000       0.000      13.080       6.327       4.973       0.000       0.000       0.000     -11.921       6.569     -31.462       0.000
+       412          40.69      27.619     -25.754       1.865       0.730     272.687     300.000       7.982    0      -31.945      23.206     -31.634     -21.484      85.821       7.931       0.830     -22.820       0.000       0.000      12.991       6.276       4.933       0.000       0.000       0.000     -11.858       5.874     -31.555       0.000
+       413          40.79      27.300     -25.108       2.191       0.551     269.532     300.000       7.985    0      -31.843      22.976     -31.290     -21.707      88.242       7.936       0.821     -22.597       0.000       0.000      12.915       6.248       4.909       0.000       0.000       0.000     -11.801       6.288     -31.540       0.000
+       414          40.89      26.790     -24.224       2.567       0.496     264.502     300.000       7.989    0      -31.879      22.823     -31.052     -21.858      90.022       7.936       0.808     -22.427       0.000       0.000      12.868       6.244       4.897       0.000       0.000       0.000     -11.751       7.090     -31.478       0.000
+       415          40.99      26.975     -24.053       2.921       1.739     266.320     300.000       7.992    0      -32.076      22.727     -30.886     -21.940      91.269       7.931       0.797     -22.301       0.000       0.000      12.865       6.253       4.892       0.000       0.000       0.000     -11.710       7.365     -31.432       0.000
+       416          41.09      27.781     -24.549       3.233       1.151     274.287     300.000       7.996    0      -32.427      22.657     -30.739     -21.984      92.172       7.924       0.791     -22.202       0.000       0.000      12.909       6.261       4.887       0.000       0.000       0.000     -11.679       7.191     -31.451       0.000
+       417          41.19      28.627     -25.183       3.445       0.582     282.638     300.000       8.000    0      -32.875      22.582     -30.561     -22.002      92.919       7.915       0.792     -22.106       0.000       0.000      12.998       6.250       4.876       0.000       0.000       0.000     -11.664       7.036     -31.540       0.000
+       418          41.29      28.735     -25.153       3.582       0.737     283.701     300.000       8.004    0      -33.334      22.479     -30.321     -22.008      93.590       7.906       0.799     -21.988       0.000       0.000      13.117       6.212       4.856       0.000       0.000       0.000     -11.670       7.610     -31.662       0.000
+       419          41.39      27.748     -23.925       3.823       0.734     273.960     300.000       8.008    0      -33.727      22.333     -30.012     -22.042      94.137       7.898       0.809     -21.831       0.000       0.000      13.244       6.152       4.829       0.000       0.000       0.000     -11.694       9.396     -31.762       0.000
+       420          41.49      26.808     -22.594       4.214       1.209     264.679     300.000       8.011    0      -34.004      22.139     -29.651     -22.136      94.363       7.891       0.817     -21.632       0.000       0.000      13.359       6.083       4.800       0.000       0.000       0.000     -11.730      11.298     -31.803       0.000
+       421          41.59      27.466     -22.919       4.547       0.788     271.173     300.000       8.013    0      -34.148      21.904     -29.264     -22.258      93.621       7.884       0.820     -21.400       0.000       0.000      13.447       6.023       4.774       0.000       0.000       0.000     -11.768      11.575     -31.781       0.000
+       422          41.69      29.175     -24.489       4.686       1.198     288.048     300.000       8.012    0      -34.164      21.652     -28.875     -22.304      91.465       7.880       0.816     -21.151       0.000       0.000      13.507       5.986       4.751       0.000       0.000       0.000     -11.800      10.552     -31.720       0.000
+       423          41.79      30.119     -25.291       4.828       1.153     297.365     300.000       8.010    0      -34.056      21.415     -28.500     -22.184      89.334       7.881       0.806     -20.904       0.000       0.000      13.542       5.980       4.732       0.000       0.000       0.000     -11.825       9.867     -31.655       0.000
+       424          41.89      30.514     -25.548       4.966       0.904     301.269     300.000       8.007    0      -33.851      21.215     -28.148     -21.915      88.206       7.890       0.794     -20.672       0.000       0.000      13.562       6.000       4.715       0.000       0.000       0.000     -11.843       9.168     -31.619       0.000
+       425          41.99      31.568     -26.702       4.866       0.830     311.676     300.000       8.004    0      -33.603      21.061     -27.822     -21.619      88.108       7.909       0.783     -20.463       0.000       0.000      13.576       6.031       4.699       0.000       0.000       0.000     -11.858       7.230     -31.623       0.000
+       426          42.09      32.123     -27.520       4.603       0.645     317.151     300.000       8.001    0      -33.350      20.946     -27.528     -21.423      88.529       7.938       0.775     -20.281       0.000       0.000      13.600       6.058       4.684       0.000       0.000       0.000     -11.874       5.608     -31.658       0.000
+       427          42.19      30.441     -25.976       4.465       1.765     300.543     300.000       8.000    0      -33.087      20.858     -27.272     -21.370      87.569       7.974       0.772     -20.129       0.000       0.000      13.645       6.066       4.670       0.000       0.000       0.000     -11.891       6.729     -31.698       0.000
+       428          42.29      27.761     -23.062       4.699       1.105     274.086     300.000       7.999    0      -32.799      20.781     -27.057     -21.430      86.967       8.007       0.773     -20.004       0.000       0.000      13.721       6.045       4.663       0.000       0.000       0.000     -11.912       9.315     -31.719       0.000
+       429          42.39      27.104     -22.082       5.023       0.469     267.601     300.000       8.000    0      -32.511      20.710     -26.892     -21.531      88.056       8.028       0.778     -19.905       0.000       0.000      13.832       5.997       4.666       0.000       0.000       0.000     -11.939       9.835     -31.702       0.000
+       430          42.49      29.021     -23.859       5.162       0.295     286.526     300.000       8.000    0      -32.284      20.645     -26.785     -21.600      88.551       8.030       0.782     -19.832       0.000       0.000      13.971       5.935       4.681       0.000       0.000       0.000     -11.976       7.835     -31.645       0.000
+       431          42.59      30.818     -25.627       5.191       0.972     304.264     300.000       8.001    0      -32.180      20.600     -26.736     -21.559      86.912       8.013       0.784     -19.784       0.000       0.000      14.126       5.877       4.708       0.000       0.000       0.000     -12.024       6.284     -31.554       0.000
+       432          42.69      31.022     -25.771       5.251       1.723     306.286     300.000       8.001    0      -32.237      20.591     -26.737     -21.367      83.700       7.983       0.782     -19.759       0.000       0.000      14.281       5.840       4.741       0.000       0.000       0.000     -12.083       6.653     -31.447       0.000
+       433          42.79      30.898     -25.644       5.254       1.515     305.055     300.000       8.001    0      -32.437      20.625     -26.774     -21.077      79.759       7.947       0.779     -19.750       0.000       0.000      14.418       5.833       4.770       0.000       0.000       0.000     -12.152       7.434     -31.338       0.000
+       434          42.89      31.318     -26.190       5.128       1.010     309.202     300.000       8.000    0      -32.693      20.693     -26.823     -20.809      75.840       7.917       0.777     -19.747       0.000       0.000      14.526       5.853       4.783       0.000       0.000       0.000     -12.223       7.557     -31.245       0.000
+       435          42.99      31.389     -26.419       4.971       0.692     309.909     300.000       7.999    0      -32.915      20.774     -26.861     -20.654      72.540       7.901       0.777     -19.739       0.000       0.000      14.592       5.886       4.773       0.000       0.000       0.000     -12.293       7.915     -31.176       0.000
+       436          43.09      30.404     -25.485       4.919       1.107     300.178     300.000       7.998    0      -33.062      20.838     -26.863     -20.599      70.032       7.906       0.779     -19.713       0.000       0.000      14.614       5.915       4.738       0.000       0.000       0.000     -12.359       9.301     -31.134       0.000
+       437          43.19      29.201     -24.176       5.025       1.327     288.301     300.000       7.997    0      -33.140      20.861     -26.815     -20.557      67.984       7.929       0.783     -19.662       0.000       0.000      14.600       5.923       4.688       0.000       0.000       0.000     -12.421      10.937     -31.114       0.000
+       438          43.29      29.299     -24.108       5.191       0.809     289.270     300.000       7.997    0      -33.174      20.833     -26.718     -20.463      65.794       7.963       0.787     -19.588       0.000       0.000      14.568       5.901       4.643       0.000       0.000       0.000     -12.479      11.298     -31.105       0.000
+       439          43.39      31.146     -25.935       5.211       0.606     307.505     300.000       7.997    0      -33.190      20.765     -26.594     -20.303      62.984       7.998       0.791     -19.503       0.000       0.000      14.537       5.853       4.624       0.000       0.000       0.000     -12.532       9.825     -31.093       0.000
+       440          43.49      33.298     -28.299       4.998       1.046     328.751     300.000       7.996    0      -33.200      20.691     -26.484     -20.055      59.462       8.027       0.792     -19.429       0.000       0.000      14.522       5.794       4.641       0.000       0.000       0.000     -12.577       7.847     -31.072       0.000
+       441          43.59      33.916     -29.213       4.703       1.225     334.852     300.000       7.995    0      -33.198      20.647     -26.431     -19.699      55.252       8.043       0.792     -19.391       0.000       0.000      14.526       5.744       4.690       0.000       0.000       0.000     -12.609       7.273     -31.045       0.000
+       442          43.69      33.019     -28.565       4.454       1.293     326.002     300.000       7.993    0      -33.175      20.665     -26.466     -19.300      50.800       8.049       0.791     -19.404       0.000       0.000      14.544       5.720       4.758       0.000       0.000       0.000     -12.630       8.161     -31.018       0.000
+       443          43.79      32.243     -27.997       4.246       0.971     318.333     300.000       7.990    0      -33.137      20.753     -26.594     -19.013      47.923       8.050       0.792     -19.470       0.000       0.000      14.567       5.729       4.825       0.000       0.000       0.000     -12.641       8.742     -30.997       0.000
+       444          43.89      32.251     -28.299       3.952       0.622     318.419     300.000       7.986    0      -33.105      20.897     -26.796     -18.940      47.374       8.052       0.796     -19.577       0.000       0.000      14.580       5.765       4.867       0.000       0.000       0.000     -12.647       8.266     -30.981       0.000
+       445          43.99      31.752     -28.046       3.706       0.911     313.492     300.000       7.981    0      -33.108      21.066     -27.027     -19.026      48.762       8.064       0.803     -19.698       0.000       0.000      14.575       5.812       4.869       0.000       0.000       0.000     -12.652       8.231     -30.970       0.000
+       446          44.09      30.252     -26.535       3.717       1.379     298.677     300.000       7.977    0      -33.170      21.219     -27.235     -19.111      51.183       8.089       0.812     -19.807       0.000       0.000      14.554       5.854       4.829       0.000       0.000       0.000     -12.658       9.382     -30.965       0.000
+       447          44.19      29.748     -25.886       3.862       1.306     293.707     300.000       7.974    0      -33.305      21.321     -27.377     -19.064      53.298       8.127       0.821     -19.883       0.000       0.000      14.526       5.875       4.759       0.000       0.000       0.000     -12.661       9.718     -30.974       0.000
+       448          44.29      31.688     -27.875       3.814       0.999     312.858     300.000       7.973    0      -33.491      21.368     -27.446     -18.883      53.061       8.171       0.831     -19.924       0.000       0.000      14.504       5.873       4.681       0.000       0.000       0.000     -12.659       7.764     -30.992       0.000
+       449          44.39      33.834     -30.431       3.403       0.620     334.047     300.000       7.973    0      -33.663      21.389     -27.480     -18.657      50.226       8.212       0.837     -19.950       0.000       0.000      14.494       5.853       4.617       0.000       0.000       0.000     -12.647       5.618     -31.004       0.000
+       450          44.49      33.205     -30.069       3.136       0.844     327.834     300.000       7.973    0      -33.759      21.422     -27.523     -18.472      49.906       8.243       0.841     -19.987       0.000       0.000      14.491       5.830       4.578       0.000       0.000       0.000     -12.627       5.925     -31.004       0.000
+       451          44.59      31.127     -27.987       3.140       0.505     307.316     300.000       7.973    0      -33.776      21.487     -27.607     -18.380      52.401       8.263       0.841     -20.053       0.000       0.000      14.489       5.813       4.561       0.000       0.000       0.000     -12.606       7.483     -31.007       0.000
+       452          44.69      30.510     -27.560       2.949       1.504     301.223     300.000       7.972    0      -33.750      21.579     -27.743     -18.394      53.652       8.274       0.841     -20.151       0.000       0.000      14.477       5.813       4.555       0.000       0.000       0.000     -12.588       7.648     -31.035       0.000
+       453          44.79      30.423     -27.693       2.730       1.538     300.371     300.000       7.970    0      -33.718      21.682     -27.915     -18.460      54.716       8.287       0.841     -20.272       0.000       0.000      14.449       5.833       4.538       0.000       0.000       0.000     -12.574       7.335     -31.091       0.000
+       454          44.89      28.376     -25.569       2.807       1.293     280.157     300.000       7.968    0      -33.711      21.768     -28.089     -18.457      55.985       8.313       0.843     -20.391       0.000       0.000      14.401       5.868       4.495       0.000       0.000       0.000     -12.558       9.191     -31.165       0.000
+       455          44.99      25.756     -22.432       3.324       0.853     254.290     300.000       7.966    0      -33.749      21.814     -28.220     -18.299      57.312       8.359       0.847     -20.483       0.000       0.000      14.330       5.914       4.419       0.000       0.000       0.000     -12.529      11.911     -31.242       0.000
+       456          45.09      26.516     -22.699       3.817       0.494     261.789     300.000       7.965    0      -33.834      21.800     -28.276     -18.066      58.490       8.427       0.855     -20.530       0.000       0.000      14.236       5.960       4.317       0.000       0.000       0.000     -12.478      11.198     -31.312       0.000
+       457          45.19      30.550     -26.703       3.848       0.501     301.625     300.000       7.964    0      -33.930      21.730     -28.255     -17.944      59.488       8.511       0.868     -20.531       0.000       0.000      14.125       6.001       4.202       0.000       0.000       0.000     -12.401       6.887     -31.373       0.000
+       458          45.29      32.888     -29.270       3.618       1.098     324.704     300.000       7.965    0      -33.964      21.639     -28.203     -18.076      60.611       8.602       0.884     -20.510       0.000       0.000      14.000       6.033       4.091       0.000       0.000       0.000     -12.302       4.173     -31.414       0.000
+       459          45.39      30.859     -27.278       3.581       1.385     304.672     300.000       7.966    0      -33.893      21.572     -28.184     -18.444      62.331       8.688       0.902     -20.504       0.000       0.000      13.869       6.060       3.995       0.000       0.000       0.000     -12.195       6.035     -31.429       0.000
+       460          45.49      27.594     -23.777       3.818       0.867     272.441     300.000       7.966    0      -33.759      21.569     -28.256     -18.854      64.945       8.761       0.919     -20.547       0.000       0.000      13.737       6.087       3.922       0.000       0.000       0.000     -12.096       9.225     -31.425       0.000
+       461          45.59      26.892     -22.844       4.048       1.170     265.501     300.000       7.966    0      -33.679      21.645     -28.442     -19.109      68.033       8.816       0.934     -20.654       0.000       0.000      13.617       6.120       3.871       0.000       0.000       0.000     -12.010       9.674     -31.420       0.000
+       462          45.69      28.004     -23.840       4.164       1.137     276.487     300.000       7.966    0      -33.746      21.797     -28.729     -19.128      70.250       8.855       0.948     -20.822       0.000       0.000      13.523       6.160       3.836       0.000       0.000       0.000     -11.933       8.256     -31.423       0.000
+       463          45.79      27.730     -23.363       4.367       0.984     273.783     300.000       7.964    0      -33.973      22.001     -29.074     -18.926      71.108       8.885       0.961     -21.029       0.000       0.000      13.468       6.209       3.806       0.000       0.000       0.000     -11.849       8.467     -31.433       0.000
+       464          45.89      25.995     -21.096       4.899       1.010     256.653     300.000       7.963    0      -34.307      22.216     -29.420     -18.639      72.321       8.913       0.973     -21.243       0.000       0.000      13.457       6.264       3.767       0.000       0.000       0.000     -11.743      10.412     -31.444       0.000
+       465          45.99      26.026     -20.603       5.423       0.987     256.960     300.000       7.962    0      -34.657      22.400     -29.714     -18.453      73.005       8.948       0.984     -21.435       0.000       0.000      13.481       6.325       3.709       0.000       0.000       0.000     -11.610      10.770     -31.461       0.000
+       466          46.09      28.764     -23.112       5.653       1.034     283.990     300.000       7.962    0      -34.932      22.526     -29.929     -18.492      72.506       8.992       0.992     -21.591       0.000       0.000      13.515       6.388       3.622       0.000       0.000       0.000     -11.460       8.478     -31.496       0.000
+       467          46.19      31.289     -25.651       5.638       0.800     308.917     300.000       7.962    0      -35.093      22.603     -30.081     -18.789      71.213       9.045       0.996     -21.716       0.000       0.000      13.534       6.444       3.506       0.000       0.000       0.000     -11.315       6.474     -31.548       0.000
+       468          46.29      31.235     -25.619       5.616       1.101     308.387     300.000       7.962    0      -35.171      22.662     -30.218     -19.272      69.533       9.100       0.993     -21.834       0.000       0.000      13.521       6.488       3.374       0.000       0.000       0.000     -11.198       7.288     -31.599       0.000
+       469          46.39      29.661     -23.962       5.699       0.694     292.839     300.000       7.963    0      -35.222      22.739     -30.396     -19.804      67.936       9.152       0.980     -21.975       0.000       0.000      13.481       6.522       3.242       0.000       0.000       0.000     -11.117       9.821     -31.630       0.000
+       470          46.49      28.895     -23.092       5.803       0.421     285.280     300.000       7.963    0      -35.293      22.861     -30.654     -20.218      66.784       9.196       0.960     -22.161       0.000       0.000      13.439       6.549       3.130       0.000       0.000       0.000     -11.061      11.439     -31.632       0.000
+       471          46.59      29.393     -23.528       5.864       0.579     290.193     300.000       7.963    0      -35.388      23.036     -30.991     -20.394      66.257       9.230       0.938     -22.399       0.000       0.000      13.426       6.577       3.053       0.000       0.000       0.000     -11.006      11.396     -31.595       0.000
+       472          46.69      30.023     -24.083       5.940       0.963     296.416     300.000       7.963    0      -35.481      23.257     -31.378     -20.357      66.369       9.255       0.922     -22.671       0.000       0.000      13.466       6.610       3.018       0.000       0.000       0.000     -10.927      10.797     -31.508       0.000
+       473          46.79      30.457     -24.423       6.035       0.926     300.705     300.000       7.963    0      -35.557      23.493     -31.762     -20.238      67.010       9.274       0.916     -22.948       0.000       0.000      13.562       6.650       3.021       0.000       0.000       0.000     -10.808      10.091     -31.371       0.000
+       474          46.89      31.315     -25.309       6.006       0.710     309.177     300.000       7.963    0      -35.608      23.705     -32.089     -20.171      67.863       9.291       0.921     -23.198       0.000       0.000      13.694       6.696       3.049       0.000       0.000       0.000     -10.654       8.730     -31.222       0.000
+       475          46.99      32.233     -26.417       5.816       0.862     318.240     300.000       7.963    0      -35.605      23.868     -32.328     -20.210      68.355       9.310       0.935     -23.403       0.000       0.000      13.823       6.742       3.083       0.000       0.000       0.000     -10.486       7.221     -31.114       0.000
+       476          47.09      32.087     -26.440       5.647       1.236     316.798     300.000       7.964    0      -35.581      23.982     -32.499     -20.293      68.130       9.333       0.952     -23.566       0.000       0.000      13.908       6.779       3.101       0.000       0.000       0.000     -10.335       6.988     -31.066       0.000
+       477          47.19      31.212     -25.624       5.588       1.347     308.159     300.000       7.966    0      -35.660      24.073     -32.661     -20.285      67.261       9.359       0.964     -23.715       0.000       0.000      13.922       6.805       3.092       0.000       0.000       0.000     -10.224       7.858     -31.051       0.000
+       478          47.29      31.008     -25.504       5.504       0.916     306.145     300.000       7.967    0      -35.860      24.176     -32.884     -20.095      65.936       9.383       0.967     -23.882       0.000       0.000      13.865       6.817       3.053       0.000       0.000       0.000     -10.159       8.208     -31.028       0.000
+       479          47.39      31.385     -26.060       5.325       0.808     309.870     300.000       7.969    0      -36.010      24.322     -33.206     -19.769      64.423       9.396       0.959     -24.094       0.000       0.000      13.768       6.823       2.997       0.000       0.000       0.000     -10.131       7.815     -30.975       0.000
+       480          47.49      30.844     -25.643       5.201       0.732     304.524     300.000       7.969    0      -35.990      24.520     -33.619     -19.458      63.079       9.392       0.945     -24.351       0.000       0.000      13.680       6.827       2.942       0.000       0.000       0.000     -10.123       8.215     -30.889       0.000
+       481          47.59      29.201     -23.903       5.298       1.262     288.305     300.000       7.968    0      -35.828      24.755     -34.075     -19.276      62.093       9.371       0.930     -24.635       0.000       0.000      13.646       6.831       2.907       0.000       0.000       0.000     -10.123       9.834     -30.776       0.000
+       482          47.69      28.373     -22.852       5.521       1.263     280.128     300.000       7.967    0      -35.588      24.995     -34.505     -19.219      61.433       9.337       0.920     -24.916       0.000       0.000      13.694       6.837       2.903       0.000       0.000       0.000     -10.125      10.707     -30.657       0.000
+       483          47.79      29.524     -23.920       5.604       1.190     291.496     300.000       7.966    0      -35.291      25.205     -34.846     -19.233      60.926       9.301       0.918     -25.169       0.000       0.000      13.816       6.841       2.926       0.000       0.000       0.000     -10.129       9.380     -30.576       0.000
+       484          47.89      30.866     -25.365       5.502       1.127     304.744     300.000       7.965    0      -34.928      25.372     -35.079     -19.294      59.970       9.278       0.924     -25.388       0.000       0.000      13.981       6.842       2.962       0.000       0.000       0.000     -10.136       7.656     -30.578       0.000
+       485          47.99      30.093     -24.591       5.503       1.255     297.113     300.000       7.964    0      -34.505      25.512     -35.242     -19.425      59.152       9.278       0.939     -25.589       0.000       0.000      14.141       6.838       2.987       0.000       0.000       0.000     -10.148       8.083     -30.654       0.000
+       486          48.09      28.126     -22.385       5.741       1.140     277.686     300.000       7.964    0      -34.086      25.653     -35.415     -19.662      59.844       9.305       0.958     -25.803       0.000       0.000      14.253       6.831       2.982       0.000       0.000       0.000     -10.164       9.806     -30.736       0.000
+       487          48.19      27.639     -21.667       5.973       0.937     272.885     300.000       7.965    0      -33.779      25.824     -35.673     -20.007      61.958       9.354       0.978     -26.057       0.000       0.000      14.292       6.826       2.943       0.000       0.000       0.000     -10.179      10.099     -30.747       0.000
+       488          48.29      28.674     -22.583       6.091       0.705     283.104     300.000       7.965    0      -33.671      26.031     -36.054     -20.386      64.605       9.414       0.995     -26.361       0.000       0.000      14.259       6.825       2.877       0.000       0.000       0.000     -10.187       9.011     -30.645       0.000
+       489          48.39      29.160     -22.912       6.248       0.995     287.900     300.000       7.965    0      -33.776      26.265     -36.536     -20.722      66.506       9.469       1.009     -26.698       0.000       0.000      14.176       6.831       2.806       0.000       0.000       0.000     -10.183       8.907     -30.440       0.000
+       490          48.49      28.920     -22.400       6.520       1.178     285.525     300.000       7.964    0      -34.041      26.499     -37.043     -20.996      67.454       9.506       1.022     -27.028       0.000       0.000      14.076       6.837       2.755       0.000       0.000       0.000     -10.168       9.965     -30.181       0.000
+       491          48.59      29.797     -23.111       6.686       1.501     294.189     300.000       7.962    0      -34.383      26.695     -37.480     -21.209      68.332       9.521       1.035     -27.301       0.000       0.000      13.986       6.836       2.745       0.000       0.000       0.000     -10.144       9.858     -29.946       0.000
+       492          48.69      31.837     -25.269       6.567       0.958     314.324     300.000       7.960    0      -34.707      26.814     -37.768     -21.398      69.888       9.516       1.055     -27.486       0.000       0.000      13.919       6.821       2.781       0.000       0.000       0.000     -10.120       8.151     -29.822       0.000
+       493          48.79      32.706     -26.365       6.341       0.869     322.906     300.000       7.958    0      -34.930      26.845     -37.894     -21.602      71.988       9.503       1.083     -27.583       0.000       0.000      13.867       6.788       2.854       0.000       0.000       0.000     -10.103       7.311     -29.853       0.000
+       494          48.89      31.546     -25.291       6.255       0.910     311.455     300.000       7.956    0      -35.030      26.823     -37.918     -21.788      73.950       9.494       1.120     -27.629       0.000       0.000      13.813       6.744       2.943       0.000       0.000       0.000     -10.101       8.484     -29.996       0.000
+       495          48.99      30.358     -24.110       6.247       0.699     299.723     300.000       7.954    0      -35.044      26.815     -37.947     -21.847      75.043       9.496       1.164     -27.682       0.000       0.000      13.740       6.698       3.024       0.000       0.000       0.000     -10.119       9.628     -30.150       0.000
+       496          49.09      30.542     -24.377       6.165       1.410     301.547     300.000       7.953    0      -35.015      26.883     -38.082     -21.704      74.942       9.510       1.207     -27.795       0.000       0.000      13.639       6.664       3.078       0.000       0.000       0.000     -10.157       9.200     -30.232       0.000
+       497          49.19      31.044     -24.966       6.078       1.555     306.500     300.000       7.950    0      -34.950      27.063     -38.372     -21.440      73.892       9.532       1.244     -27.995       0.000       0.000      13.514       6.651       3.097       0.000       0.000       0.000     -10.216       8.384     -30.203       0.000
+       498          49.29      30.933     -24.861       6.072       2.141     305.403     300.000       7.947    0      -34.841      27.349     -38.811     -21.205      72.550       9.556       1.267     -28.280       0.000       0.000      13.389       6.665       3.081       0.000       0.000       0.000     -10.297       8.259     -30.051       0.000
+       499          49.39      30.846     -24.811       6.035       1.766     304.543     300.000       7.943    0      -34.707      27.694     -39.338     -21.042      71.529       9.576       1.276     -28.614       0.000       0.000      13.295       6.700       3.041       0.000       0.000       0.000     -10.397       8.079     -29.781       0.000
+       500          49.49      30.914     -25.018       5.897       0.872     305.218     300.000       7.940    0      -34.591      28.020     -39.859     -20.885      71.078       9.588       1.276     -28.945       0.000       0.000      13.260       6.743       2.989       0.000       0.000       0.000     -10.514       7.627     -29.435       0.000
diff --git a/examples/unres/new/MD/DYN_SS/ss/test/small_MD000.pdb b/examples/unres/new/MD/DYN_SS/ss/test/small_MD000.pdb
new file mode 100644
index 0000000..45a19c1
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/ss/test/small_MD000.pdb
@@ -0,0 +1,56 @@
+REMARK time   29.58                                       ENERGY    -2.68390E+01
+SSBOND   1 CYS      4    CYS     13
+ATOM      1  CA  GLY     1       1.159   0.645   1.842          0.019
+ATOM      2  CA  ALA     2       4.670   2.037   1.364          0.041
+ATOM      3  CB  ALA     2       4.926   2.535   1.903          0.011
+ATOM      4  CA  ALA     3       6.915  -0.948   0.894          0.006
+ATOM      5  CB  ALA     3       6.342  -1.340   0.650          0.148
+ATOM      6  CA  ALA     4      10.497  -0.988  -0.434          0.061
+ATOM      7  CB  ALA     4      10.782  -0.327  -0.045          0.085
+ATOM      8  CA  CYS     5      11.912  -4.477  -0.580          0.031
+ATOM      9  CB  CYS     5      11.208  -5.164  -1.380          0.029
+ATOM     10  CA  ALA     6      14.856  -6.488  -1.842          0.034
+ATOM     11  CB  ALA     6      15.366  -6.236  -2.369          0.001
+ATOM     12  CA  ALA     7      14.377  -9.074   0.872          0.011
+ATOM     13  CB  ALA     7      14.493  -8.615   1.522          0.052
+ATOM     14  CA  ALA     8      11.521 -10.759  -0.967          0.009
+ATOM     15  CB  ALA     8      10.809 -10.887  -1.251          0.092
+ATOM     16  CA  ALA     9      13.478 -11.076  -4.216          0.006
+ATOM     17  CB  ALA     9      13.860 -10.661  -3.769          0.025
+ATOM     18  CA  ALA    10      12.029 -14.542  -4.658          0.010
+ATOM     19  CB  ALA    10      11.351 -14.648  -4.404          0.020
+ATOM     20  CA  ALA    11       9.664 -13.406  -7.358          0.024
+ATOM     21  CB  ALA    11       9.240 -13.954  -7.562          0.090
+ATOM     22  CA  ALA    12       8.715 -10.248  -5.421          0.054
+ATOM     23  CB  ALA    12       8.584  -9.972  -4.705          0.041
+ATOM     24  CA  ALA    13      11.586  -7.796  -6.231          0.044
+ATOM     25  CB  ALA    13      11.824  -8.194  -6.849          0.066
+ATOM     26  CA  CYS    14      10.223  -4.314  -5.532          0.006
+ATOM     27  CB  CYS    14       9.930  -4.177  -4.299          0.026
+ATOM     28  CA  ALA    15      11.975  -1.059  -6.161          0.008
+ATOM     29  CB  ALA    15      12.226  -1.160  -6.868          0.056
+ATOM     30  CA  ALA    16      10.804   2.202  -4.627          0.007
+ATOM     31  CB  ALA    16      11.438   2.619  -4.566          0.142
+ATOM     32  CA  ALA    17       8.071   3.957  -6.557          0.023
+ATOM     33  CB  ALA    17       7.426   3.816  -6.761          0.000
+ATOM     34  CA  GLY    18       8.546   7.647  -5.847          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    9   27
+ENDMDL
diff --git a/examples/unres/new/MD/DYN_SS/ss/test/ss.pdb b/examples/unres/new/MD/DYN_SS/ss/test/ss.pdb
new file mode 100644
index 0000000..072c597
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/ss/test/ss.pdb
@@ -0,0 +1,56 @@
+REMARK time 4389.65                                       ENERGY     7.39026E+00
+SSBOND   1 CYS      4    CYS     13
+ATOM      1  CA  GLY     1      18.887 -10.163 -10.608          0.012
+ATOM      2  CA  ALA     2      18.562  -9.885  -6.834          0.020
+ATOM      3  CB  ALA     2      18.353  -9.134  -6.608          0.009
+ATOM      4  CA  ALA     3      16.754 -11.361  -3.915          0.008
+ATOM      5  CB  ALA     3      16.860 -12.098  -3.836          0.112
+ATOM      6  CA  ALA     4      16.762  -9.897  -0.433          0.060
+ATOM      7  CB  ALA     4      16.145  -9.572  -0.328          0.050
+ATOM      8  CA  CYS     5      15.755 -12.524   2.082          0.002
+ATOM      9  CB  CYS     5      16.051 -13.633   1.487          0.072
+ATOM     10  CA  ALA     6      15.104 -12.916   5.816          0.009
+ATOM     11  CB  ALA     6      14.965 -12.382   6.257          0.010
+ATOM     12  CA  ALA     7      12.233 -15.298   5.159          0.023
+ATOM     13  CB  ALA     7      11.752 -15.096   4.590          0.108
+ATOM     14  CA  ALA     8      12.615 -18.906   4.131          0.042
+ATOM     15  CB  ALA     8      12.996 -18.890   4.861          0.008
+ATOM     16  CA  ALA     9       9.909 -21.356   3.181          0.011
+ATOM     17  CB  ALA     9       9.333 -20.985   3.212          0.086
+ATOM     18  CA  ALA    10      10.743 -20.954  -0.478          0.081
+ATOM     19  CB  ALA    10      10.850 -20.324  -0.915          0.001
+ATOM     20  CA  ALA    11      12.566 -23.869  -1.971          0.022
+ATOM     21  CB  ALA    11      12.731 -24.062  -2.616          0.275
+ATOM     22  CA  ALA    12      15.810 -21.927  -1.726          0.004
+ATOM     23  CB  ALA    12      15.774 -21.687  -2.426          0.135
+ATOM     24  CA  ALA    13      18.582 -20.075   0.198          0.010
+ATOM     25  CB  ALA    13      19.150 -20.569   0.255          0.020
+ATOM     26  CA  CYS    14      19.577 -16.394  -0.296          0.009
+ATOM     27  CB  CYS    14      18.494 -15.682  -0.508          0.016
+ATOM     28  CA  ALA    15      22.406 -14.224   1.116          0.034
+ATOM     29  CB  ALA    15      23.137 -14.120   1.199          0.111
+ATOM     30  CA  ALA    16      22.651 -10.366   0.632          0.010
+ATOM     31  CB  ALA    16      22.481  -9.688   0.945          0.009
+ATOM     32  CA  ALA    17      25.991  -8.590   0.178          0.018
+ATOM     33  CB  ALA    17      26.589  -8.669   0.306          0.039
+ATOM     34  CA  GLY    18      26.757  -7.435  -3.316          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    9   27
+ENDMDL
diff --git a/examples/unres/new/MD/DYN_SS/ss/test/unres_eval.csh b/examples/unres/new/MD/DYN_SS/ss/test/unres_eval.csh
new file mode 100755
index 0000000..787be7f
--- /dev/null
+++ b/examples/unres/new/MD/DYN_SS/ss/test/unres_eval.csh
@@ -0,0 +1,24 @@
+#!/bin/csh
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX small
+setenv OUT1FILE NO
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN /users/czarek/UNRES/GIT/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+#-----------------------------------------------------------------------------
+setenv DD /users/czarek/UNRES/GIT/unres/PARAM
+setenv BONDPAR $DD/bond.parm
+setenv THETPAR $DD/thetaml.5parm
+setenv ROTPAR $DD/scgauss.parm
+setenv TORPAR $DD/torsion_631Gdp.parm
+setenv TORDPAR $DD/torsion_double_631Gdp.parm
+setenv ELEPAR $DD/electr_631Gdp.parm
+setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
+setenv SCPPAR $DD/scp.parm
+setenv PATTERN $DD/patterns.cart
+setenv PRINT_PARM NO
+#-----------------------------------------------------------------------------
+
+$UNRES_BIN $*
diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/a.pdb b/examples/unres/new/microcanonical/DYN_SS/hth/a.pdb
new file mode 100644
index 0000000..1f8ac3f
--- /dev/null
+++ b/examples/unres/new/microcanonical/DYN_SS/hth/a.pdb
@@ -0,0 +1,54 @@
+REMARK time  923.62                                       ENERGY    -1.15815E+01
+ATOM      1  CA  GLY     1     -11.849   6.596  -2.403          0.090
+ATOM      2  CA  ALA     2     -13.418   6.572  -5.919          0.084
+ATOM      3  CB  ALA     2     -12.908   6.747  -6.410          0.215
+ATOM      4  CA  ALA     3     -16.143   3.889  -6.138          0.010
+ATOM      5  CB  ALA     3     -16.793   4.183  -6.397          0.003
+ATOM      6  CA  ALA     4     -13.520   1.166  -6.550          0.054
+ATOM      7  CB  ALA     4     -12.785   1.239  -6.559          0.090
+ATOM      8  CA  CYS     5     -12.629   1.631  -2.805          0.014
+ATOM      9  CB  CYS     5     -13.518   2.576  -2.698          0.057
+ATOM     10  CA  ALA     6     -13.467  -2.136  -2.650          0.001
+ATOM     11  CB  ALA     6     -13.490  -2.860  -2.729          0.025
+ATOM     12  CA  ALA     7     -11.256  -2.842  -5.622          0.008
+ATOM     13  CB  ALA     7     -11.072  -2.578  -6.320          0.289
+ATOM     14  CA  ALA     8      -8.206  -2.125  -3.496          0.011
+ATOM     15  CB  ALA     8      -8.226  -1.485  -3.216          0.090
+ATOM     16  CA  ALA     9      -9.298  -4.587  -0.877          0.003
+ATOM     17  CB  ALA     9      -9.634  -4.348  -0.224          0.030
+ATOM     18  CA  ALA    10     -10.565  -6.979  -3.578          0.013
+ATOM     19  CB  ALA    10     -10.220  -7.012  -4.281          0.099
+ATOM     20  CA  ALA    11      -9.060 -10.399  -3.347          0.029
+ATOM     21  CB  ALA    11      -9.290 -11.104  -3.486          0.006
+ATOM     22  CA  ALA    12      -5.538  -8.995  -3.201          0.014
+ATOM     23  CB  ALA    12      -5.545  -8.635  -3.863          0.072
+ATOM     24  CA  ALA    13      -4.176  -7.434  -0.023          0.015
+ATOM     25  CB  ALA    13      -3.823  -8.014   0.272          0.042
+ATOM     26  CA  CYS    14      -3.957  -3.989   1.621          0.033
+ATOM     27  CB  CYS    14      -5.048  -3.526   1.725          0.005
+ATOM     28  CA  ALA    15      -3.473  -3.009   5.302          0.070
+ATOM     29  CB  ALA    15      -3.003  -3.112   5.889          0.053
+ATOM     30  CA  ALA    16      -3.888   0.809   5.844          0.030
+ATOM     31  CB  ALA    16      -4.524   1.149   5.521          0.034
+ATOM     32  CA  ALA    17      -3.394   0.685   9.610          0.028
+ATOM     33  CB  ALA    17      -2.879   0.254   9.328          0.032
+ATOM     34  CA  GLY    18      -3.341   3.372  12.241          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/small.inp b/examples/unres/new/microcanonical/DYN_SS/hth/small.inp
new file mode 100644
index 0000000..7dec99e
--- /dev/null
+++ b/examples/unres/new/microcanonical/DYN_SS/hth/small.inp
@@ -0,0 +1,13 @@
+small hth example with ssbond forming and breaking
+SEED=-1111333 MD ONE_LETTER pdbstart UNRES_PDB 
+nstep=100000  dt=0.01 ntwe=100   ntwx=500   lang=0     t_bath=300              &
+reset_moment=0    reset_vel=0 damax=5.0 MDPDB  PRINT_COMPON   
+WLONG=1.35279 WSCP=1.59304 WELEC=0.71534 WBOND=1.00000 WANG=1.13873            &
+WSCLOC=0.16258 WTOR=1.98599 WTORD=1.57069 WCORRH=0.42887 WCORR5=0.00000        &
+WCORR6=0.00000 WEL_LOC=0.16036 WTURN3=1.68722 WTURN4=0.66230 WTURN6=0.00000    &
+WVDWPP=0.11371 WHPB=1.00000                                                    &
+CUTOFF=7.00000 WCORR4=0.00000 WSCCOR=0.0 dyn_ss
+a.pdb
+2 5 14
+0
+0
diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/small.intin b/examples/unres/new/microcanonical/DYN_SS/hth/small.intin
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/small.out_GB000 b/examples/unres/new/microcanonical/DYN_SS/hth/small.out_GB000
new file mode 100644
index 0000000..1193edb
--- /dev/null
+++ b/examples/unres/new/microcanonical/DYN_SS/hth/small.out_GB000
@@ -0,0 +1,427 @@
+--------------------------------------------------------------------------------
+                              FILE ASSIGNMENT
+--------------------------------------------------------------------------------
+ Input file                      : small.inp
+ Output file                     : small.out_GB000
+ 
+ Sidechain potential file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-
+ 10-8k
+ SCp potential file              : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm
+ Electrostatic potential file    : 
+ /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm
+ Cumulant coefficient file       : 
+ /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3
+ Torsional parameter file        : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm
+ Double torsional parameter file : 
+ /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm
+ SCCOR parameter file : /users/czarek/UNRES/GIT/unres/PARAM/sccor_pdb_shelly.dat
+ Bond & inertia constant file    : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm
+ Bending parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm
+ Rotamer parameter file          : 
+ /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm
+ Threading database              : 
+ /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart
+--------------------------------------------------------------------------------
+********************************************************************************
+United-residue force field calculation - parallel job.
+********************************************************************************
+ ### LAST MODIFIED  03/28/12 23:29 by czarek
+ ++++ Compile info ++++
+ Version 3.1 build 51
+ compiled Fri Feb 15 09:57:56 2013
+ compiled by czarek@piasek3
+ OS name:    Linux 
+ OS release: 2.6.32-42-generic 
+ OS version: #96-Ubuntu SMP Wed Aug 15 19:37:37 UTC 2012 
+ flags:
+ INSTALL_DIR = /users/software/mpich-1.2.7p1_int...
+ FC= ifort
+ OPT =  -O3 -ip -w 
+ FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
+ FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)...
+ FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
+ FFLAGSE = -c -w -O3 -ipo -ipo_obj  -opt_report ...
+ LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...
+ ARCH = LINUX
+ PP = /lib/cpp -P
+ object = unres.o arcos.o cartprint.o chainbuild...
+ GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES ...
+ GAB: BIN = ../../../bin/unres/MD/unres_ifort_MP...
+ E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNR...
+ E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort...
+ ++++ End of compile info ++++
+
+Potential is GB , exponents are   6 12
+
+Disulfide bridge parameters:
+S-S bridge energy:      -5.50
+d0cm:      3.78 akcm:     15.10
+akth:     11.00 akct:     12.00
+v1ss:     -1.08 v2ss:      7.61 v3ss:     13.70
+ MPI: node=            0  iseed(4)=            0           0         -16
+      -62756
+ ran_num  6.422640197456531E-013
+RMSDBC =        3.0
+RMSDBC1 =        0.5
+RMSDBC1MAX =        1.5
+DRMS    =        0.1
+RMSDBCM =        3.0
+Time limit (min):     960.0
+ RESCALE_MODE           2
+Library  routine used to diagonalize matrices.
+ 
+=========================== Parameters of the MD run ===========================
+ 
+The units are:
+positions: angstrom, time: 48.9 fs
+velocity: angstrom/(48.9 fs), acceleration: angstrom/(48.9 fs)**2
+energy: kcal/mol, temperature: K
+ 
+                                       Number of time steps:    100000
+                 Initial time step of numerical integration:   0.01000 natural units
+                                                               0.48900 fs
+Maximum acceleration threshold to reduce the time step/increase split number:   5.00000
+Maximum predicted energy drift to reduce the timestep/increase split number:  10.00000
+            Maximum velocity threshold to reduce velocities:  20.00000
+                               Frequency of property output:       100
+                             Frequency of coordinate output:       500
+Microcanonical mode calculation
+
+============================== End of MD run setup =============================
+
+
+Energy-term weights (unscaled):
+
+WSCC=     1.352790 (SC-SC)
+WSCP=     1.593040 (SC-p)
+WELEC=    0.715340 (p-p electr)
+WVDWPP=   0.113710 (p-p VDW)
+WBOND=    1.000000 (stretching)
+WANG=     1.138730 (bending)
+WSCLOC=   0.162580 (SC local)
+WTOR=     1.985990 (torsional)
+WTORD=    1.570690 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  0.160360 (multi-body 3-rd order)
+WCORR4=   0.428870 (multi-body 4th order)
+WCORR5=   0.000000 (multi-body 5th order)
+WCORR6=   0.000000 (multi-body 6th order)
+WSCCOR=   0.000000 (back-scloc correlation)
+WTURN3=   1.687220 (turns, 3rd order)
+WTURN4=   0.662300 (turns, 4th order)
+WTURN6=   0.000000 (turns, 6th order)
+
+Hydrogen-bonding correlation between contact pairs of peptide groups
+
+Scaling factor of 1,4 SC-p interactions:   0.400
+General scaling factor of SC-p interactions:   1.000
+
+Energy-term weights (scaled):
+
+WSCC=     1.352790 (SC-SC)
+WSCP=     1.593040 (SC-p)
+WELEC=    0.715340 (p-p electr)
+WVDWPP=   0.113710 (p-p VDW)
+WBOND=    1.000000 (stretching)
+WANG=     1.138730 (bending)
+WSCLOC=   0.162580 (SC local)
+WTOR=     1.985990 (torsional)
+WTORD=    1.570690 (double torsional)
+WSTRAIN=  1.000000 (SS bridges & dist. cnstr.)
+WEL_LOC=  0.160360 (multi-body 3-rd order)
+WCORR4=   0.428870 (multi-body 4th order)
+WCORR5=   0.000000 (multi-body 5th order)
+WCORR6=   0.000000 (multi-body 6th order)
+WSCCOR=   0.000000 (back-scloc correlatkion)
+WTURN3=   1.687220 (turns, 3rd order)
+WTURN4=   0.662300 (turns, 4th order)
+WTURN6=   0.000000 (turns, 6th order)
+ Reference temperature for weights calculation:   300.000000000000     
+ Parameters of the SS-bond potential:
+ D0CM   3.78000000000000       AKCM   11.1621168104436       AKTH
+   8.13134337184633       AKCT   8.87055640565054     
+ V1SS -0.798350076508549       V2SS   5.62541118725005       V3SS
+   10.1272185631177     
+ EBR  -5.50000000000000       SS_DEPTH  -5.46701011744817     
+  HT  -1.40133843152500     
+PDB data will be read from file a.pdb
+ Nres:    18
+Backbone and SC coordinates as read from the PDB
+  1 10  GLY -11.849   6.596  -2.403      -11.849   6.596  -2.403
+  2  9  ALA -13.418   6.572  -5.919      -12.908   6.747  -6.410
+  3  9  ALA -16.143   3.889  -6.138      -16.793   4.183  -6.397
+  4  9  ALA -13.520   1.166  -6.550      -12.785   1.239  -6.559
+  5  1  CYS -12.629   1.631  -2.805      -13.518   2.576  -2.698
+  6  9  ALA -13.467  -2.136  -2.650      -13.490  -2.860  -2.729
+  7  9  ALA -11.256  -2.842  -5.622      -11.072  -2.578  -6.320
+  8  9  ALA  -8.206  -2.125  -3.496       -8.226  -1.485  -3.216
+  9  9  ALA  -9.298  -4.587  -0.877       -9.634  -4.348  -0.224
+ 10  9  ALA -10.565  -6.979  -3.578      -10.220  -7.012  -4.281
+ 11  9  ALA  -9.060 -10.399  -3.347       -9.290 -11.104  -3.486
+ 12  9  ALA  -5.538  -8.995  -3.201       -5.545  -8.635  -3.863
+ 13  9  ALA  -4.176  -7.434  -0.023       -3.823  -8.014   0.272
+ 14  1  CYS  -3.957  -3.989   1.621       -5.048  -3.526   1.725
+ 15  9  ALA  -3.473  -3.009   5.302       -3.003  -3.112   5.889
+ 16  9  ALA  -3.888   0.809   5.844       -4.524   1.149   5.521
+ 17  9  ALA  -3.394   0.685   9.610       -2.879   0.254   9.328
+ 18 10  GLY  -3.341   3.372  12.241       -3.341   3.372  12.241
+nsup= 18 nstart_sup=  1
+ After sideadd
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.850     0.000     0.000     0.729   146.694  -109.363
+ALA   3     3.830   110.272     0.000     0.759   147.957  -128.746
+ALA   4     3.803    90.977   -78.713     0.739   105.672   -50.865
+CYS   5     3.878    88.166    72.402     1.302   112.139  -116.564
+ALA   6     3.862    82.642   123.024     0.729   120.951     3.720
+ALA   7     3.771    91.361    49.351     0.769   137.392   -55.570
+ALA   8     3.786    89.674    70.311     0.699   119.648   -87.119
+ALA   9     3.757    91.902    53.321     0.772   145.673   -99.574
+ALA  10     3.824    90.793    38.471     0.784   108.765   -64.768
+ALA  11     3.744   113.246   124.426     0.754   167.686   -74.150
+ALA  12     3.794    92.149   -50.745     0.754   133.580  -108.877
+ALA  13     3.794   121.181    76.519     0.740   168.142  -147.575
+CYS  14     3.823   138.722   -91.423     1.190   108.677   -76.446
+ALA  15     3.840   130.494   158.051     0.759   141.443   -47.832
+ALA  16     3.879   111.821  -172.250     0.790   136.439   -94.007
+ALA  17     3.800    95.305   177.774     0.728   120.497  -127.361
+GLY  18     3.761   132.203   178.798     0.000     0.000     0.000
+ ITEL
+           1          10           1
+           2           9           1
+           3           9           1
+           4           9           1
+           5           1           1
+           6           9           1
+           7           9           1
+           8           9           1
+           9           9           1
+          10           9           1
+          11           9           1
+          12           9           1
+          13           9           1
+          14           1           1
+          15           9           1
+          16           9           1
+          17           9           1
+ ns=           2  iss:           5          14
+ nss=           0  ihpb,jhpb: 
+Boundaries in phi angle sampling:
+GLY    1    -180.0     180.0
+ALA    2    -180.0     180.0
+ALA    3    -180.0     180.0
+ALA    4    -180.0     180.0
+CYS    5    -180.0     180.0
+ALA    6    -180.0     180.0
+ALA    7    -180.0     180.0
+ALA    8    -180.0     180.0
+ALA    9    -180.0     180.0
+ALA   10    -180.0     180.0
+ALA   11    -180.0     180.0
+ALA   12    -180.0     180.0
+ALA   13    -180.0     180.0
+CYS   14    -180.0     180.0
+ALA   15    -180.0     180.0
+ALA   16    -180.0     180.0
+ALA   17    -180.0     180.0
+GLY   18    -180.0     180.0
+ NZ_START=           1  NZ_END=          18
+ IZ_SC=           0
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.850     0.000     0.000     0.729   146.694  -109.363
+ALA   3     3.830   110.272     0.000     0.759   147.957  -128.746
+ALA   4     3.803    90.977   -78.713     0.739   105.672   -50.865
+CYS   5     3.878    88.166    72.402     1.302   112.139  -116.564
+ALA   6     3.862    82.642   123.024     0.729   120.951     3.720
+ALA   7     3.771    91.361    49.351     0.769   137.392   -55.570
+ALA   8     3.786    89.674    70.311     0.699   119.648   -87.119
+ALA   9     3.757    91.902    53.321     0.772   145.673   -99.574
+ALA  10     3.824    90.793    38.471     0.784   108.765   -64.768
+ALA  11     3.744   113.246   124.426     0.754   167.686   -74.150
+ALA  12     3.794    92.149   -50.745     0.754   133.580  -108.877
+ALA  13     3.794   121.181    76.519     0.740   168.142  -147.575
+CYS  14     3.823   138.722   -91.423     1.190   108.677   -76.446
+ALA  15     3.840   130.494   158.051     0.759   141.443   -47.832
+ALA  16     3.879   111.821  -172.250     0.790   136.439   -94.007
+ALA  17     3.800    95.305   177.774     0.728   120.497  -127.361
+GLY  18     3.761   132.203   178.798     0.000     0.000     0.000
+
+The chain contains  2 disulfide-bridging cysteines.
+   5  14
+ Running with dynamic disulfide-bond formation
+ Processor           0  CG group           0  absolute rank           0  nhpb
+           0  link_start=           1  link_end           0
+
+
+********************************************************************************
+                    Processor   0: end reading molecular data.
+********************************************************************************
+
+
+Mesoscopic molecular dynamics (MD) calculation.
+
+********************************************************************************
+
+ Calling chainbuild
+====================MD calculation start====================
+ Initial velocities randomly generated
+ Initial velocities
+  0   0.33890   0.02320   0.23659      0.00000   0.00000   0.00000
+  1  -0.15077  -0.23023  -0.18811      0.00000   0.00000   0.00000
+  2  -0.14850   0.36395   0.17819     -0.06593   0.14268   0.01033
+  3  -0.01216  -0.31272  -0.40265     -0.27199   0.03880  -0.26248
+  4   0.13139   0.25689   0.25345     -0.06906   0.09806   0.19560
+  5  -0.27858  -0.01261   0.04461     -0.15425  -0.01325  -0.02214
+  6   0.09914   0.11979   0.14915     -0.11171  -0.17646  -0.10207
+  7  -0.15740  -0.32760  -0.08342     -0.15559  -0.17162  -0.27142
+  8  -0.01757   0.19689  -0.31981     -0.04208   0.07236  -0.23178
+  9   0.29843  -0.21826   0.12725      0.01235  -0.10442  -0.18484
+ 10  -0.35680   0.17980  -0.11210     -0.00509  -0.02006   0.01600
+ 11   0.42311  -0.07463   0.22371      0.30508  -0.03813   0.04260
+ 12  -0.28440  -0.17000  -0.23671     -0.06923  -0.11283  -0.12729
+ 13   0.12013   0.21611   0.14782      0.07641   0.09993   0.18719
+ 14   0.15808   0.02556  -0.12952     -0.10167  -0.08786  -0.15044
+ 15  -0.16543  -0.08643   0.20762      0.03124  -0.00978   0.12744
+ 16   0.07008   0.14536  -0.28387      0.01006   0.26396  -0.15863
+ 17  -0.12394  -0.22493   0.30015     -0.38318  -0.15223   0.30217
+ 18   0.00000   0.00000   0.00000      0.00000   0.00000   0.00000
+ Calling the zero-angular  momentum subroutine
+ vcm right after adjustment:
+  5.424257488318338E-018 -6.299137728369682E-018  1.504794012888313E-017
+
+
+              alpha-carbon coordinates            centroid coordinates
+             X           Y           Z          X           Y           Z
+GLY(  1)     0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+ALA(  2)     3.85027     0.00000     0.00000     4.08973     0.57597     0.37779
+ALA(  3)     5.17743    -3.59315     0.00000     5.67699    -3.69784    -0.56169
+ALA(  4)     4.50175    -3.91184     3.72914     4.21000    -3.40822     4.18399
+CYS(  5)     0.71590    -4.05898     2.90403     0.97457    -3.92549     1.63515
+ALA(  6)     0.93933    -7.41535     4.80177     1.02535    -7.94644     5.29318
+ALA(  7)     2.75671    -5.77560     7.67023     3.31749    -5.27434     7.82844
+ALA(  8)    -0.43207    -3.97536     8.63318    -0.68360    -3.58848     8.10834
+ALA(  9)    -2.36335    -7.19560     8.74835    -2.82423    -7.40238     8.16418
+ALA( 10)     0.63437    -8.99997    10.29116     1.13596    -8.62055    10.75890
+ALA( 11)    -0.16855   -10.69479    13.53118     0.05650   -11.32099    13.88681
+ALA( 12)    -1.74585    -7.54908    14.95019    -1.14072    -7.10241    14.90335
+ALA( 13)    -5.21270    -6.43737    13.88410    -5.62232    -6.73606    14.42357
+CYS( 14)    -6.82468    -4.19410    11.24062    -6.47796    -4.54138    10.15681
+ALA( 15)   -10.38945    -4.18760     9.81345   -11.11637    -4.14078    10.02669
+ALA( 16)   -10.73908    -1.74754     6.81896   -10.18707    -1.79179     6.25526
+ALA( 17)   -14.37866    -2.58026     6.11029   -14.32832    -2.51011     6.83351
+GLY( 18)   -16.81959    -1.27490     3.56414   -16.81959    -1.27490     3.56414
+
+Geometry of the virtual chain.
+  Res           d     Theta     Gamma       Dsc     Alpha      Beta 
+GLY   1     0.000     0.000     0.000     0.000     0.000     0.000
+ALA   2     3.850     0.000     0.000     0.729   146.694  -109.363
+ALA   3     3.830   110.272     0.000     0.759   147.957  -128.746
+ALA   4     3.803    90.977   -78.713     0.739   105.672   -50.865
+CYS   5     3.878    88.166    72.402     1.302   112.139  -116.564
+ALA   6     3.862    82.642   123.024     0.729   120.951     3.720
+ALA   7     3.771    91.361    49.351     0.769   137.392   -55.570
+ALA   8     3.786    89.674    70.311     0.699   119.648   -87.119
+ALA   9     3.757    91.902    53.321     0.772   145.673   -99.574
+ALA  10     3.824    90.793    38.471     0.784   108.765   -64.768
+ALA  11     3.744   113.246   124.426     0.754   167.686   -74.150
+ALA  12     3.794    92.149   -50.745     0.754   133.580  -108.877
+ALA  13     3.794   121.181    76.519     0.740   168.142  -147.575
+CYS  14     3.823   138.722   -91.423     1.190   108.677   -76.446
+ALA  15     3.840   130.494   158.051     0.759   141.443   -47.832
+ALA  16     3.879   111.821  -172.250     0.790   136.439   -94.007
+ALA  17     3.800    95.305   177.774     0.728   120.497  -127.361
+GLY  18     3.761   132.203   178.798     0.000   180.000   180.000
+ Potential energy and its components
+
+Virtual-chain energies:
+
+EVDW=     -3.681888E+01 WEIGHT=    1.352790E+00 (SC-SC)
+EVDW2=     2.935543E+01 WEIGHT=    1.593040E+00 (SC-p)
+EES=      -5.873651E+01 WEIGHT=    7.153400E-01 (p-p)
+EVDWPP=   -2.078573E+01 WEIGHT=    1.137100E-01 (p-p VDW)
+ESTR=      1.126963E+01 WEIGHT=    1.000000E+00 (stretching)
+EBE=      -2.163931E+01 WEIGHT=    1.138730E+00 (bending)
+ESC=       8.185684E+01 WEIGHT=    1.625800E-01 (SC local)
+ETORS=     1.409747E+01 WEIGHT=    1.985990E+00 (torsional)
+ETORSD=    3.856076E-01 WEIGHT=    1.570690E+00 (double torsional)
+EHPB=      0.000000E+00 WEIGHT=    1.000000E+00 (SS bridges & dist. cnstr.)
+ECORR4=   -3.806576E+01 WEIGHT=    4.288700E-01 (multi-body)
+ECORR5=    0.000000E+00 WEIGHT=    0.000000E+00 (multi-body)
+ECORR6=    0.000000E+00 WEIGHT=    0.000000E+00 (multi-body)
+EELLO=     5.874355E+00 WEIGHT=    1.603600E-01 (electrostatic-local)
+ETURN3=    1.472773E+01 WEIGHT=    1.687220E+00 (turns, 3rd order)
+ETURN4=   -3.305062E+00 WEIGHT=    6.623000E-01 (turns, 4th order)
+ETURN6=    0.000000E+00 WEIGHT=    0.000000E+00 (turns, 6th order)
+ESCCOR=    0.000000E+00 WEIGHT=    0.000000E+00 (backbone-rotamer corr)
+EDIHC=     0.000000E+00 (dihedral angle constraints)
+ESS=       0.000000E+00 (disulfide-bridge intrinsic energy)
+UCONST=     0.000000E+00 (Constraint energy)
+ETOT=     -1.160756E+01 (total)
+
+Initial:
+           Kinetic energy   2.82436E+01
+         potential energy  -1.16076E+01
+             total energy   1.66360E+01
+
+    maximum acceleration    1.95619E+00
+
+    SSBOND_FORM      129.12   300.0    5   14
+   SSBOND_BREAK      134.81   300.0    5   14
+    SSBOND_FORM      178.26   300.0    5   14
+   SSBOND_BREAK      180.34   300.0    5   14
+    SSBOND_FORM      253.52   300.0    5   14
+   SSBOND_BREAK      258.40   300.0    5   14
+    SSBOND_FORM      420.52   300.0    5   14
+   SSBOND_BREAK      421.60   300.0    5   14
+    SSBOND_FORM      425.82   300.0    5   14
+   SSBOND_BREAK      428.19   300.0    5   14
+    SSBOND_FORM      494.06   300.0    5   14
+   SSBOND_BREAK      496.25   300.0    5   14
+    SSBOND_FORM      500.25   300.0    5   14
+   SSBOND_BREAK      500.33   300.0    5   14
+    SSBOND_FORM      500.82   300.0    5   14
+   SSBOND_BREAK      501.09   300.0    5   14
+    SSBOND_FORM      520.74   300.0    5   14
+   SSBOND_BREAK      570.42   300.0    5   14
+    SSBOND_FORM      628.51   300.0    5   14
+   SSBOND_BREAK      630.04   300.0    5   14
+    SSBOND_FORM      634.06   300.0    5   14
+   SSBOND_BREAK      638.66   300.0    5   14
+    SSBOND_FORM      660.47   300.0    5   14
+   SSBOND_BREAK      661.56   300.0    5   14
+    SSBOND_FORM      671.40   300.0    5   14
+   SSBOND_BREAK      673.68   300.0    5   14
+    SSBOND_FORM      697.08   300.0    5   14
+   SSBOND_BREAK      699.21   300.0    5   14
+    SSBOND_FORM      699.76   300.0    5   14
+   SSBOND_BREAK      700.73   300.0    5   14
+    SSBOND_FORM      711.03   300.0    5   14
+   SSBOND_BREAK      713.24   300.0    5   14
+    SSBOND_FORM      714.76   300.0    5   14
+   SSBOND_BREAK      717.99   300.0    5   14
+    SSBOND_FORM      724.88   300.0    5   14
+   SSBOND_BREAK      749.39   300.0    5   14
+    SSBOND_FORM      789.73   300.0    5   14
+   SSBOND_BREAK      793.20   300.0    5   14
+
+
+===================================  Timing  ===================================
+
+                  MD calculations setup:    1.17188E-02
+           Energy & gradient evaluation:    1.82461E+01
+                    Stochastic MD setup:    0.00000E+00
+               Stochastic MD step setup:    0.00000E+00
+                               MD steps:    2.22773E+01
+
+
+============================  End of MD calculation  ===========================
+CG processor   0 is finishing work.
+ Total wall clock time   22.3125000000000       sec
diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/small_000.rst b/examples/unres/new/microcanonical/DYN_SS/hth/small_000.rst
new file mode 100644
index 0000000..8e3f4f4
--- /dev/null
+++ b/examples/unres/new/microcanonical/DYN_SS/hth/small_000.rst
@@ -0,0 +1,74 @@
+   999.163749999238        45.5595883375662       -30.4333299475341     
+   15.1262583900320        300.000000000000     
+   -0.73357E-01   -0.18296E+00    0.19317E+00
+   -0.19734E+00    0.12916E+00   -0.64060E+00
+    0.61554E-02    0.64843E-01    0.56735E+00
+    0.12871E+00   -0.13287E+00   -0.38205E+00
+    0.22504E+00   -0.11165E+00    0.20094E+00
+   -0.58222E+00    0.30618E+00   -0.17881E+00
+    0.31221E+00   -0.31421E+00   -0.10010E+00
+   -0.49685E-01    0.39420E+00    0.29526E+00
+    0.29965E+00   -0.20192E+00   -0.12637E+00
+   -0.37953E+00   -0.33863E+00    0.32269E+00
+   -0.36263E-02    0.36937E+00   -0.17340E+00
+    0.23941E+00   -0.63501E-02   -0.24814E+00
+   -0.15492E+00   -0.50226E-02    0.82903E-01
+    0.21725E+00    0.11783E+00   -0.17379E+00
+   -0.63961E-01   -0.46684E+00    0.16941E+00
+   -0.64801E-01    0.19568E+00    0.59639E-01
+    0.55434E-01    0.49338E-01    0.28214E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.13158E+00   -0.12375E-01   -0.31302E+00
+    0.10253E+00    0.48278E-01    0.20990E-01
+    0.11452E+00   -0.38958E+00   -0.49804E+00
+    0.13362E+00    0.13682E-01    0.11967E+00
+   -0.16996E+00    0.57913E-01    0.18827E-01
+    0.99583E-01   -0.22021E+00   -0.45303E-03
+   -0.15613E+00   -0.25446E-01    0.15680E+00
+    0.12117E+00   -0.16533E-01   -0.47715E+00
+   -0.35875E+00   -0.16555E+00   -0.22286E+00
+   -0.83118E-01    0.12089E+00   -0.10001E+00
+    0.42176E+00    0.16631E-01   -0.57254E-01
+    0.16563E+00    0.47603E-01    0.75838E-01
+   -0.12483E+00   -0.48525E-01   -0.11616E-01
+   -0.17131E+00   -0.23389E+00    0.13987E+00
+    0.21120E-01    0.38362E+00    0.14211E+00
+   -0.39036E+00   -0.85644E-01    0.11354E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
+    0.93026E-01    0.13568E+01    0.35424E+01
+   -0.29184E+01   -0.21461E+01    0.96231E+00
+    0.20566E+01   -0.19885E+01    0.24764E+01
+    0.64582E+00    0.31126E+01    0.21009E+01
+   -0.37029E+01    0.95577E+00   -0.32423E+00
+   -0.92471E+00   -0.36108E+01    0.61504E+00
+    0.25124E+01   -0.42988E+00    0.28307E+01
+   -0.12191E+01    0.32141E+01    0.14996E+01
+   -0.36126E+01   -0.10545E+01   -0.60379E+00
+    0.45828E+00   -0.28298E+01    0.24420E+01
+    0.20324E+01    0.20110E+01    0.25489E+01
+   -0.28931E+01    0.46519E+00    0.23689E+01
+   -0.18439E+01    0.20260E+01   -0.26185E+01
+   -0.15789E+01   -0.30107E+01   -0.17070E+01
+   -0.25670E+01   -0.17238E+00    0.27281E+01
+   -0.24316E+01    0.28142E+01   -0.77099E+00
+   -0.35628E+01    0.63627E+00    0.12272E+01
+   -0.33410E+01    0.33720E+01    0.12241E+02
+    0.00000E+00    0.00000E+00    0.00000E+00
+   -0.48722E-01    0.64386E+00    0.36671E+00
+   -0.68231E+00   -0.28345E+00   -0.23493E+00
+    0.67641E+00   -0.43735E-01   -0.40504E+00
+    0.98302E+00    0.47108E+00   -0.72033E+00
+    0.14317E+00    0.63729E+00   -0.16815E+00
+   -0.82490E-01   -0.61468E+00   -0.37409E+00
+    0.50749E+00    0.17272E+00    0.44673E+00
+    0.14885E+00    0.58042E+00   -0.37329E+00
+   -0.43293E+00   -0.48928E+00   -0.33523E+00
+    0.10499E+00   -0.59954E+00   -0.20460E+00
+    0.44637E+00    0.19519E+00   -0.55961E+00
+   -0.13412E-01    0.22759E+00    0.73849E+00
+    0.99240E+00    0.51561E+00   -0.65108E+00
+   -0.11852E+00   -0.63307E+00   -0.19351E+00
+    0.44575E+00   -0.10969E+00    0.60528E+00
+   -0.34510E-01    0.47170E+00   -0.55797E+00
+    0.00000E+00    0.00000E+00    0.00000E+00
diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/small_GB000.int b/examples/unres/new/microcanonical/DYN_SS/hth/small_GB000.int
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/small_GB000.mol2 b/examples/unres/new/microcanonical/DYN_SS/hth/small_GB000.mol2
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/small_GB000.pdb b/examples/unres/new/microcanonical/DYN_SS/hth/small_GB000.pdb
new file mode 100644
index 0000000..e69de29
diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/small_GB000.stat b/examples/unres/new/microcanonical/DYN_SS/hth/small_GB000.stat
new file mode 100644
index 0000000..168cc5b
--- /dev/null
+++ b/examples/unres/new/microcanonical/DYN_SS/hth/small_GB000.stat
@@ -0,0 +1,1002 @@
+                                                                                                                 #   EVDW SC-SC  EVDW2 SC-p  EES p-p     EBE bend    ESC SCloc   ETORS       ETORSD      ECORR4      ECORR5      ECORR6      EELLO       ETURN3      ETURN4      ETURN6      UCONST      EVDW2_14    EHPB        ESTR        EVDWPP      ESCCOR    
+         0           0.00      28.244     -11.608      16.636       1.956     278.850     300.000       8.386    0      -36.819      29.355     -58.737     -21.639      81.857      14.097       0.386     -38.066       0.000       0.000       5.874      14.728      -3.305       0.000       0.000       0.000       0.000      11.270     -20.786       0.000
+       100           1.00      29.978     -13.340      16.638       0.111     295.972     300.000       8.358    0      -35.725      30.519     -61.648     -21.731      70.427      13.612       0.307     -39.607       0.000       0.000       7.399      14.722      -1.973       0.000       0.000       0.000       0.000      10.302     -15.695       0.000
+       200           2.00      26.520      -9.882      16.638       0.058     261.832     300.000       8.341    0      -36.052      31.369     -62.871     -21.696      81.633      13.203       0.301     -40.822       0.000       0.000       8.590      14.386      -1.044       0.000       0.000       0.000       0.000      12.834     -14.557       0.000
+       300           3.00      30.894     -14.257      16.636       0.100     305.015     300.000       8.333    0      -36.283      32.661     -64.007     -20.769      70.764      13.081       0.275     -42.151       0.000       0.000       9.120      14.301      -0.900       0.000       0.000       0.000       0.000       8.828     -12.570       0.000
+       400           4.00      30.269     -13.631      16.638       0.052     298.844     300.000       8.335    0      -35.637      31.907     -62.069     -22.308      57.270      13.218       0.555     -41.207       0.000       0.000       8.669      14.015      -0.900       0.000       0.000       0.000       0.000      12.155     -15.856       0.000
+       500           5.00      29.731     -13.093      16.637       0.100     293.532     300.000       8.338    0      -35.909      31.417     -58.913     -21.423      67.581      13.091       0.969     -39.658       0.000       0.000       8.549      13.154      -0.488       0.000       0.000       0.000       0.000       9.925     -23.703       0.000
+       600           6.00      28.305     -11.667      16.638       0.104     279.460     300.000       8.342    0      -35.535      31.514     -57.271     -22.538      61.915      13.065       0.747     -38.841       0.000       0.000       8.671      12.770       0.424       0.000       0.000       0.000       0.000      12.141     -26.832       0.000
+       700           7.00      28.086     -11.450      16.637       0.124     277.298     300.000       8.366    0      -35.318      30.908     -55.974     -22.786      70.717      13.216       0.462     -38.275       0.000       0.000       8.518      12.597       0.345       0.000       0.000       0.000       0.000      11.188     -26.515       0.000
+       800           8.00      30.980     -14.344      16.635       0.123     305.864     300.000       8.381    0      -35.910      30.480     -54.629     -22.438      68.293      13.257       0.434     -37.109       0.000       0.000       8.748      12.290       0.809       0.000       0.000       0.000       0.000       8.523     -27.165       0.000
+       900           8.99      32.693     -16.089      16.604       0.069     322.779     300.000       8.395    0      -36.252      31.690     -55.551     -24.327      60.549      12.693       0.895     -37.604       0.000       0.000      10.046      11.878       1.446       0.000       0.000       0.000       0.000      10.276     -29.083       0.000
+      1000           9.99      32.274     -15.671      16.603       0.191     318.642     300.000       8.417    0      -36.350      32.169     -54.752     -22.551      55.573      12.330       1.421     -37.176       0.000       0.000      11.047      11.393       1.803       0.000       0.000       0.000       0.000       8.844     -32.882       0.000
+      1100          10.99      30.563     -13.958      16.605       0.167     301.751     300.000       8.440    0      -35.030      31.378     -51.808     -24.597      62.067      12.161       1.521     -35.843       0.000       0.000      11.318      10.855       1.324       0.000       0.000       0.000       0.000      10.342     -36.018       0.000
+      1200          11.99      27.928     -11.320      16.607       0.132     275.731     300.000       8.477    0      -35.434      30.791     -49.371     -23.613      74.487      12.122       1.564     -35.292       0.000       0.000      11.903      10.299       1.153       0.000       0.000       0.000       0.000      10.560     -38.220       0.000
+      1300          12.99      28.826     -12.218      16.608       0.067     284.595     300.000       8.517    0      -36.280      30.043     -48.684     -24.683      90.220      12.017       1.822     -35.476       0.000       0.000      12.535      10.210       1.374       0.000       0.000       0.000       0.000       9.964     -38.319       0.000
+      1400          13.99      32.187     -15.581      16.606       0.097     317.783     300.000       8.560    0      -36.339      30.992     -51.449     -25.126      71.236      11.892       2.097     -37.476       0.000       0.000      12.857      10.510       1.350       0.000       0.000       0.000       0.000      10.398     -34.172       0.000
+      1500          14.99      38.609     -22.002      16.607       0.115     381.188     300.000       8.614    0      -36.913      31.183     -53.503     -24.093      46.999      12.021       2.059     -39.153       0.000       0.000      12.796      10.877       0.940       0.000       0.000       0.000       0.000       8.254     -28.768       0.000
+      1600          15.99      32.586     -15.978      16.608       0.078     321.724     300.000       8.685    0      -35.889      29.852     -53.277     -22.346      58.687      12.225       1.828     -39.515       0.000       0.000      12.239      10.788       0.577       0.000       0.000       0.000       0.000      11.422     -27.620       0.000
+      1700          16.99      33.188     -16.581      16.607       0.076     327.669     300.000       8.757    0      -35.141      29.116     -52.584     -21.367      65.074      12.228       1.723     -39.472       0.000       0.000      11.931      10.673       0.151       0.000       0.000       0.000       0.000       9.017     -27.770       0.000
+      1800          17.99      31.997     -15.389      16.607       0.159     315.903     300.000       8.837    0      -34.299      28.784     -54.160     -20.611      68.064      12.149       2.016     -40.735       0.000       0.000      11.364      10.902      -0.710       0.000       0.000       0.000       0.000       9.484     -24.190       0.000
+      1900          18.99      30.230     -13.623      16.607       0.067     298.458     300.000       8.903    0      -34.815      29.206     -55.183     -20.414      81.115      12.077       2.381     -41.670       0.000       0.000      11.377      10.849      -1.343       0.000       0.000       0.000       0.000      10.119     -24.014       0.000
+      2000          19.99      31.750     -15.141      16.609       0.133     313.472     300.000       8.959    0      -34.746      29.770     -55.310     -20.518      59.710      11.807       2.578     -41.978       0.000       0.000      12.620      10.533      -1.321       0.000       0.000       0.000       0.000      12.236     -26.299       0.000
+      2100          20.99      34.996     -18.387      16.609       0.104     345.518     300.000       9.015    0      -35.095      29.877     -54.725     -21.148      49.048      11.890       2.551     -41.149       0.000       0.000      12.666      10.444      -2.056       0.000       0.000       0.000       0.000      11.471     -26.260       0.000
+      2200          21.98      36.914     -20.333      16.581       0.667     364.454     300.000       9.067    0      -35.686      30.257     -54.668     -22.138      64.434      12.219       2.383     -40.418       0.000       0.000      12.617      10.564      -3.568       0.000       0.000       0.000       0.000       8.279     -25.143       0.000
+      2300          22.98      26.901     -10.316      16.585       0.132     265.597     300.000       9.101    0      -34.093      30.456     -55.232     -22.775      77.399      12.340       2.295     -40.252       0.000       0.000      12.475      10.883      -4.281       0.000       0.000       0.000       0.000      14.445     -23.518       0.000
+      2400          23.98      32.988     -16.401      16.587       0.194     325.689     300.000       9.155    0      -35.496      31.187     -56.163     -22.441      46.833      12.530       2.094     -40.174       0.000       0.000      12.614      11.028      -4.450       0.000       0.000       0.000       0.000      13.828     -21.132       0.000
+      2500          24.98      34.916     -18.332      16.584       0.089     344.728     300.000       9.210    0      -35.187      29.444     -53.850     -23.279      45.033      12.684       1.925     -38.246       0.000       0.000      11.565      11.131      -4.254       0.000       0.000       0.000       0.000      13.137     -23.687       0.000
+      2600          25.98      37.607     -21.026      16.581       0.156     371.292     300.000       9.268    0      -33.997      28.042     -51.365     -23.743      53.529      12.678       1.874     -36.784       0.000       0.000      10.457      11.080      -3.727       0.000       0.000       0.000       0.000       8.069     -25.925       0.000
+      2700          26.98      30.649     -14.064      16.585       0.123     302.601     300.000       9.316    0      -33.396      26.838     -49.139     -23.038      63.953      12.311       2.064     -35.389       0.000       0.000       9.654      11.004      -3.132       0.000       0.000       0.000       0.000      11.942     -27.680       0.000
+      2800          27.98      27.335     -10.750      16.585       0.117     269.877     300.000       9.367    0      -32.505      25.661     -46.692     -21.602      66.414      11.749       2.108     -33.621       0.000       0.000       8.949      10.813      -2.460       0.000       0.000       0.000       0.000      12.521     -28.580       0.000
+      2900          28.98      32.515     -15.933      16.582       0.124     321.023     300.000       9.396    0      -31.894      24.912     -45.956     -22.031      51.261      11.497       2.283     -33.477       0.000       0.000       8.846      10.730      -2.669       0.000       0.000       0.000       0.000      10.730     -29.838       0.000
+      3000          29.98      38.833     -22.252      16.582       0.134     383.402     300.000       9.415    0      -31.711      24.808     -45.821     -25.865      33.827      11.246       3.077     -33.701       0.000       0.000       8.933      10.502      -2.617       0.000       0.000       0.000       0.000      11.192     -30.480       0.000
+      3100          30.98      36.236     -19.654      16.582       0.085     357.757     300.000       9.417    0      -31.024      25.428     -47.250     -22.727      38.080      11.229       3.550     -34.794       0.000       0.000       8.736      10.559      -2.595       0.000       0.000       0.000       0.000       8.167     -29.216       0.000
+      3200          31.98      28.404     -11.819      16.585       0.100     280.437     300.000       9.426    0      -31.514      26.148     -48.109     -23.156      53.582      11.466       3.632     -35.374       0.000       0.000       8.532      10.750      -2.251       0.000       0.000       0.000       0.000      13.261     -29.480       0.000
+      3300          32.98      29.545     -12.959      16.585       0.178     291.696     300.000       9.425    0      -31.396      27.286     -48.680     -23.915      44.617      11.731       3.460     -35.920       0.000       0.000       8.518      11.174      -2.187       0.000       0.000       0.000       0.000      12.183     -30.189       0.000
+      3400          33.98      28.525     -11.941      16.584       0.082     281.628     300.000       9.429    0      -31.765      28.397     -49.830     -25.165      56.144      11.941       3.287     -37.053       0.000       0.000       9.034      11.631      -2.353       0.000       0.000       0.000       0.000      11.803     -29.340       0.000
+      3500          34.98      27.360     -10.777      16.583       0.084     270.128     300.000       9.426    0      -32.453      28.501     -50.446     -24.571      69.741      12.023       3.172     -37.711       0.000       0.000       9.219      12.139      -2.512       0.000       0.000       0.000       0.000      10.713     -28.550       0.000
+      3600          35.98      33.265     -16.684      16.581       0.146     328.429     300.000       9.413    0      -32.936      30.249     -54.428     -23.105      44.624      11.780       3.601     -40.441       0.000       0.000       9.725      12.177      -2.430       0.000       0.000       0.000       0.000       8.350     -25.307       0.000
+      3700          36.98      29.658     -13.073      16.584       0.076     292.812     300.000       9.375    0      -33.218      31.204     -57.210     -22.254      46.001      11.706       3.735     -42.658       0.000       0.000      10.063      12.029      -2.792       0.000       0.000       0.000       0.000      12.768     -23.813       0.000
+      3800          37.98      28.241     -11.658      16.583       0.111     278.828     300.000       9.327    0      -33.482      31.643     -58.893     -19.235      57.379      11.788       3.599     -44.030       0.000       0.000       9.919      12.071      -3.220       0.000       0.000       0.000       0.000      10.519     -22.809       0.000
+      3900          38.98      28.924     -12.344      16.580       0.161     285.569     300.000       9.269    0      -33.738      32.860     -61.466     -18.385      62.228      11.890       3.410     -46.040       0.000       0.000       9.882      12.448      -3.567       0.000       0.000       0.000       0.000       8.652     -20.781       0.000
+      4000          39.98      24.947      -8.363      16.584       0.123     246.305     300.000       9.226    0      -33.124      32.104     -60.706     -21.138      72.101      12.102       3.205     -45.423       0.000       0.000       9.690      12.874      -3.242       0.000       0.000       0.000       0.000      12.814     -21.571       0.000
+      4100          40.98      32.379     -15.796      16.583       0.171     319.682     300.000       9.205    0      -33.579      31.425     -59.778     -21.537      50.427      12.070       2.815     -44.763       0.000       0.000       9.773      13.151      -3.049       0.000       0.000       0.000       0.000      10.210     -21.860       0.000
+      4200          41.98      33.305     -16.723      16.583       0.118     328.824     300.000       9.208    0      -33.082      30.673     -59.323     -21.832      44.969      12.309       2.434     -44.286       0.000       0.000       9.442      13.430      -3.443       0.000       0.000       0.000       0.000      10.344     -20.750       0.000
+      4300          42.97      35.609     -19.038      16.570       0.155     351.566     300.000       9.205    0      -33.725      29.873     -57.223     -22.767      45.488      12.620       2.222     -42.578       0.000       0.000       9.316      13.419      -3.991       0.000       0.000       0.000       0.000       9.448     -24.375       0.000
+      4400          43.97      35.163     -18.592      16.571       0.209     347.162     300.000       9.195    0      -34.356      29.125     -55.792     -21.297      49.836      13.053       1.804     -41.652       0.000       0.000       8.866      13.596      -4.460       0.000       0.000       0.000       0.000       8.440     -28.088       0.000
+      4500          44.97      30.379     -13.808      16.571       0.064     299.934     300.000       9.193    0      -34.740      28.662     -56.972     -21.125      76.904      13.580       1.151     -42.539       0.000       0.000       7.904      14.192      -4.854       0.000       0.000       0.000       0.000      10.434     -27.505       0.000
+      4600          45.97      32.311     -15.740      16.571       0.113     319.012     300.000       9.176    0      -34.976      28.241     -57.736     -21.658      82.829      14.151       0.598     -43.747       0.000       0.000       6.689      14.656      -4.630       0.000       0.000       0.000       0.000       9.287     -28.316       0.000
+      4700          46.97      32.585     -16.012      16.573       0.108     321.713     300.000       9.161    0      -34.406      28.635     -60.852     -24.607      79.029      14.472       0.311     -46.304       0.000       0.000       5.765      15.249      -3.884       0.000       0.000       0.000       0.000      13.080     -25.643       0.000
+      4800          47.97      36.798     -20.230      16.568       0.111     363.311     300.000       9.140    0      -33.402      29.580     -64.063     -24.268      77.528      14.856       0.012     -48.625       0.000       0.000       4.853      15.663      -3.198       0.000       0.000       0.000       0.000       7.443     -22.073       0.000
+      4900          48.97      36.435     -19.863      16.572       0.154     359.723     300.000       9.109    0      -34.438      31.902     -69.910     -23.875      57.920      15.459      -0.295     -53.057       0.000       0.000       4.186      16.398      -3.074       0.000       0.000       0.000       0.000      11.717     -15.997       0.000
+      5000          49.97      40.615     -24.042      16.573       0.089     400.993     300.000       9.061    0      -33.554      33.817     -74.073     -24.130      39.234      15.654      -0.392     -56.134       0.000       0.000       4.133      16.687      -3.326       0.000       0.000       0.000       0.000      10.139     -13.974       0.000
+      5100          50.97      36.864     -20.291      16.572       0.141     363.958     300.000       9.018    0      -33.903      35.468     -77.676     -25.112      54.479      15.754      -0.359     -58.699       0.000       0.000       4.378      17.097      -3.450       0.000       0.000       0.000       0.000      13.148     -13.965       0.000
+      5200          51.97      40.062     -23.491      16.571       0.192     395.532     300.000       8.988    0      -35.130      37.607     -83.273     -22.507      48.220      15.768      -0.622     -62.945       0.000       0.000       4.330      17.913      -3.413       0.000       0.000       0.000       0.000      10.428      -8.332       0.000
+      5300          52.97      35.389     -18.818      16.571       0.082     349.394     300.000       8.931    0      -34.932      40.967     -92.669     -22.041      71.517      16.090      -1.096     -70.136       0.000       0.000       4.131      19.082      -2.554       0.000       0.000       0.000       0.000      10.783       7.332       0.000
+      5400          53.97      28.716     -12.141      16.575       0.145     283.515     300.000       8.894    0      -35.320      45.433    -101.828     -21.247      80.618      16.239      -1.457     -77.126       0.000       0.000       4.606      19.864      -0.541       0.000       0.000       0.000       0.000      13.041      29.649       0.000
+      5500          54.97      31.388     -14.817      16.571       0.160     309.893     300.000       8.874    0      -37.019      48.878    -110.004     -21.350      66.765      16.322      -1.670     -84.016       0.000       0.000       4.044      20.969       0.072       0.000       0.000       0.000       0.000      14.497      45.829       0.000
+      5600          55.97      37.707     -21.138      16.569       0.177     372.287     300.000       8.857    0      -36.609      49.382    -111.280     -20.022      64.904      16.516      -1.659     -84.434       0.000       0.000       4.016      20.920      -0.894       0.000       0.000       0.000       0.000       7.457      42.030       0.000
+      5700          56.97      30.457     -13.886      16.571       0.117     300.706     300.000       8.847    0      -35.902      49.790    -110.569     -18.059      67.177      16.197      -1.427     -82.787       0.000       0.000       4.235      20.393      -2.096       0.000       0.000       0.000       0.000      11.921      35.725       0.000
+      5800          57.97      35.935     -19.363      16.571       0.121     354.784     300.000       8.853    0      -38.540      50.991    -111.986     -17.964      62.500      15.982      -1.214     -83.695       0.000       0.000       4.242      20.008      -2.379       0.000       0.000       0.000       0.000      10.490      40.923       0.000
+      5900          58.97      36.836     -20.264      16.571       0.096     363.679     300.000       8.873    0      -38.258      47.816    -107.719     -17.757      56.169      16.039      -1.213     -80.846       0.000       0.000       3.821      19.921      -2.092       0.000       0.000       0.000       0.000      11.457      34.215       0.000
+      6000          59.97      30.820     -14.247      16.574       0.143     304.288     300.000       8.885    0      -37.793      43.840    -101.585     -17.021      90.441      16.263      -0.955     -76.272       0.000       0.000       3.603      19.746      -2.752       0.000       0.000       0.000       0.000      11.684      22.383       0.000
+      6100          60.97      39.738     -23.168      16.570       0.175     392.335     300.000       8.897    0      -38.225      39.798     -89.674     -21.584      86.016      15.947      -0.772     -67.544       0.000       0.000       4.701      18.535      -3.264       0.000       0.000       0.000       0.000       8.966      -3.867       0.000
+      6200          61.97      38.191     -21.619      16.572       0.131     377.058     300.000       8.909    0      -39.082      37.970     -82.346     -21.349      83.746      15.262      -0.575     -62.058       0.000       0.000       6.294      17.393      -2.746       0.000       0.000       0.000       0.000      10.892     -16.334       0.000
+      6300          62.97      39.450     -22.879      16.572       0.147     389.492     300.000       8.925    0      -37.792      35.640     -77.380     -24.317      80.669      15.001      -0.482     -58.275       0.000       0.000       7.194      17.171      -2.161       0.000       0.000       0.000       0.000      11.116     -21.576       0.000
+      6400          63.97      38.957     -22.384      16.573       0.109     384.627     300.000       8.958    0      -37.765      35.267     -77.345     -25.247      69.837      14.911      -0.175     -58.231       0.000       0.000       7.965      17.332      -1.535       0.000       0.000       0.000       0.000      13.375     -17.555       0.000
+      6500          64.97      37.893     -21.323      16.570       0.116     374.119     300.000       8.973    0      -34.920      34.296     -75.707     -22.356      66.533      14.914      -0.248     -57.558       0.000       0.000       8.133      17.239      -0.913       0.000       0.000       0.000       0.000       7.696     -17.132       0.000
+      6600          65.97      35.420     -18.850      16.570       0.288     349.707     300.000       8.977    0      -34.117      32.990     -71.959     -23.065      57.308      14.622       0.019     -55.252       0.000       0.000       8.547      16.650      -0.304       0.000       0.000       0.000       0.000      10.863     -20.447       0.000
+      6700          66.97      34.341     -17.769      16.573       0.073     339.054     300.000       8.964    0      -34.880      33.479     -71.016     -23.551      49.894      14.402       0.171     -54.684       0.000       0.000       9.263      16.372      -0.104       0.000       0.000       0.000       0.000      13.669     -22.293       0.000
+      6800          67.97      40.529     -23.958      16.572       0.173     400.149     300.000       8.969    0      -35.297      33.792     -69.672     -24.820      26.324      14.370       0.236     -54.012       0.000       0.000      10.405      15.861       0.703       0.000       0.000       0.000       0.000      12.071     -25.748       0.000
+      6900          68.97      37.370     -20.799      16.571       0.173     368.955     300.000       8.936    0      -36.642      35.170     -72.380     -24.520      58.218      14.160       0.258     -56.115       0.000       0.000      11.366      15.952       0.777       0.000       0.000       0.000       0.000      11.625     -20.776       0.000
+      7000          69.97      34.739     -18.168      16.571       0.123     342.975     300.000       8.911    0      -37.307      36.599     -73.699     -23.350      77.172      13.670       0.697     -57.350       0.000       0.000      12.533      15.612       0.894       0.000       0.000       0.000       0.000      10.601     -21.395       0.000
+      7100          70.97      37.662     -21.094      16.568       0.204     371.837     300.000       8.872    0      -37.703      36.156     -72.188     -25.403      84.096      13.570       0.690     -56.259       0.000       0.000      12.606      15.621       0.229       0.000       0.000       0.000       0.000       9.740     -26.112       0.000
+      7200          71.97      31.889     -15.314      16.575       0.064     314.842     300.000       8.852    0      -37.750      36.438     -73.681     -24.284      88.992      13.418       0.859     -56.689       0.000       0.000      12.478      15.853      -0.475       0.000       0.000       0.000       0.000      14.205     -23.984       0.000
+      7300          72.97      34.982     -18.411      16.571       0.143     345.374     300.000       8.830    0      -36.987      36.259     -74.304     -24.090      76.792      13.415       0.897     -56.542       0.000       0.000      12.510      15.951      -0.787       0.000       0.000       0.000       0.000      12.280     -22.128       0.000
+      7400          73.97      32.511     -15.940      16.571       0.123     320.980     300.000       8.833    0      -35.977      34.828     -71.564     -24.003      79.008      13.679       0.834     -54.361       0.000       0.000      11.834      15.766      -0.973       0.000       0.000       0.000       0.000      12.424     -22.109       0.000
+      7500          74.97      30.144     -13.571      16.573       0.148     297.612     300.000       8.849    0      -36.422      32.610     -67.159     -25.070      86.918      14.049       0.363     -50.719       0.000       0.000      10.723      15.779      -1.725       0.000       0.000       0.000       0.000      15.072     -24.459       0.000
+      7600          75.97      37.192     -20.623      16.569       0.124     367.201     300.000       8.840    0      -36.594      32.577     -65.636     -26.114      67.916      14.027       0.256     -49.067       0.000       0.000      10.293      15.760      -2.885       0.000       0.000       0.000       0.000      12.081     -26.357       0.000
+      7700          76.97      36.654     -20.081      16.572       0.078     361.884     300.000       8.819    0      -36.833      35.306     -69.591     -25.598      60.376      14.034       0.030     -50.662       0.000       0.000      10.879      16.029      -3.779       0.000       0.000       0.000       0.000      12.520     -20.941       0.000
+      7800          77.97      40.461     -23.894      16.567       0.188     399.472     300.000       8.812    0      -36.351      35.638     -69.802     -25.124      61.541      14.137       0.139     -50.592       0.000       0.000      10.947      15.909      -4.200       0.000       0.000       0.000       0.000       6.867     -19.635       0.000
+      7900          78.97      36.976     -20.402      16.574       0.177     365.063     300.000       8.818    0      -36.301      34.121     -68.572     -24.292      51.094      14.420      -0.187     -49.669       0.000       0.000      10.072      16.056      -4.188       0.000       0.000       0.000       0.000      12.160     -20.904       0.000
+      8000          79.97      31.966     -15.391      16.575       0.042     315.597     300.000       8.835    0      -36.880      34.678     -70.334     -22.518      61.256      14.662      -0.576     -50.312       0.000       0.000       9.604      15.954      -4.268       0.000       0.000       0.000       0.000      14.780     -15.811       0.000
+      8100          80.97      39.617     -23.048      16.569       0.122     391.144     300.000       8.837    0      -37.812      35.040     -71.196     -24.157      75.046      14.560      -0.627     -50.315       0.000       0.000       9.899      15.943      -5.022       0.000       0.000       0.000       0.000       8.717     -15.029       0.000
+      8200          81.97      37.421     -20.851      16.570       0.075     369.459     300.000       8.835    0      -38.027      36.984     -74.092     -25.686      80.556      14.319      -0.557     -50.967       0.000       0.000      10.911      16.272      -6.386       0.000       0.000       0.000       0.000      11.587     -12.660       0.000
+      8300          82.97      38.577     -22.006      16.571       0.153     380.871     300.000       8.845    0      -38.632      37.951     -75.272     -24.669      54.588      14.400      -0.638     -50.625       0.000       0.000      11.608      16.274      -7.152       0.000       0.000       0.000       0.000      13.343      -8.355       0.000
+      8400          83.97      37.735     -21.163      16.572       0.091     372.557     300.000       8.860    0      -38.244      38.039     -76.319     -23.456      53.654      14.517      -0.923     -50.913       0.000       0.000      11.704      16.363      -6.444       0.000       0.000       0.000       0.000      12.232      -3.878       0.000
+      8500          84.97      37.675     -21.105      16.570       0.107     371.968     300.000       8.877    0      -36.932      39.127     -80.157     -24.975      40.846      14.424      -0.984     -52.161       0.000       0.000      11.826      16.852      -5.508       0.000       0.000       0.000       0.000      13.150       9.694       0.000
+      8600          85.97      31.011     -14.437      16.575       0.140     306.174     300.000       8.872    0      -37.113      38.375     -78.966     -23.597      61.328      14.137      -1.051     -51.475       0.000       0.000      11.963      16.766      -5.017       0.000       0.000       0.000       0.000      15.740       9.237       0.000
+      8700          86.97      34.033     -17.461      16.572       0.146     336.006     300.000       8.884    0      -36.875      35.874     -73.994     -24.151      69.763      14.035      -1.096     -49.110       0.000       0.000      11.704      16.062      -4.726       0.000       0.000       0.000       0.000      13.629      -1.779       0.000
+      8800          87.97      35.835     -19.264      16.570       0.115     353.797     300.000       8.873    0      -35.779      35.153     -69.351     -23.516      58.984      14.043      -1.216     -46.872       0.000       0.000      11.951      15.135      -4.566       0.000       0.000       0.000       0.000      11.105     -12.977       0.000
+      8900          88.97      35.458     -18.886      16.572       0.127     350.075     300.000       8.855    0      -35.929      34.889     -68.426     -24.411      55.736      14.110      -1.126     -46.309       0.000       0.000      11.877      15.204      -4.258       0.000       0.000       0.000       0.000      12.414     -15.135       0.000
+      9000          89.97      34.756     -18.185      16.572       0.119     343.150     300.000       8.861    0      -35.868      33.483     -69.177     -24.900      47.858      14.177      -0.928     -46.754       0.000       0.000      11.371      15.513      -3.192       0.000       0.000       0.000       0.000      15.955     -12.569       0.000
+      9100          90.97      36.115     -19.544      16.571       0.130     356.560     300.000       8.816    0      -35.435      33.098     -69.553     -23.811      48.814      14.554      -0.992     -47.502       0.000       0.000      10.836      15.931      -2.389       0.000       0.000       0.000       0.000      11.875     -11.307       0.000
+      9200          91.97      31.430     -14.856      16.574       0.098     310.313     300.000       8.786    0      -35.622      32.750     -69.437     -23.062      62.007      14.762      -0.983     -48.287       0.000       0.000      10.772      15.744      -1.629       0.000       0.000       0.000       0.000      14.006     -11.164       0.000
+      9300          92.97      30.523     -13.950      16.572       0.146     301.350     300.000       8.740    0      -35.982      32.651     -68.747     -22.646      80.815      14.321      -0.945     -48.240       0.000       0.000      11.006      15.257      -1.344       0.000       0.000       0.000       0.000      13.255     -14.098       0.000
+      9400          93.97      39.476     -22.909      16.566       0.148     389.743     300.000       8.709    0      -37.342      31.848     -66.104     -22.154      72.104      14.000      -0.520     -46.063       0.000       0.000      10.570      14.939      -1.317       0.000       0.000       0.000       0.000       6.189     -15.699       0.000
+      9500          94.97      36.103     -19.531      16.572       0.096     356.447     300.000       8.666    0      -37.986      31.228     -65.380     -22.942      66.381      13.792      -0.159     -44.977       0.000       0.000       9.783      15.041      -1.554       0.000       0.000       0.000       0.000      12.030     -13.977       0.000
+      9600          95.97      31.913     -15.342      16.571       0.090     315.079     300.000       8.603    0      -37.862      30.779     -63.232     -22.701      84.661      13.502       0.149     -44.214       0.000       0.000      10.432      14.729      -1.310       0.000       0.000       0.000       0.000      12.630     -19.434       0.000
+      9700          96.97      37.422     -20.852      16.570       0.154     369.470     300.000       8.540    0      -37.912      30.655     -62.186     -25.156      76.494      13.160       0.387     -43.975       0.000       0.000      11.692      14.199      -1.022       0.000       0.000       0.000       0.000      11.773     -22.149       0.000
+      9800          97.97      32.971     -16.401      16.570       0.077     325.529     300.000       8.459    0      -36.358      31.613     -63.088     -21.633      72.772      12.839       0.551     -44.931       0.000       0.000      12.228      14.001      -1.202       0.000       0.000       0.000       0.000      10.892     -21.288       0.000
+      9900          98.97      38.877     -22.307      16.571       0.078     383.837     300.000       8.381    0      -35.064      32.575     -65.541     -23.160      52.081      12.456       0.560     -46.893       0.000       0.000      12.839      13.621      -1.481       0.000       0.000       0.000       0.000      10.549     -18.382       0.000
+     10000          99.93      39.995     -23.485      16.510       1.270     394.873     300.000       8.300    0      -36.352      33.686     -67.831     -22.412      55.193      12.391       0.411     -48.551       0.000       0.000      12.705      13.572      -1.644       0.000       0.000       0.000       0.000      10.537     -15.118       0.000
+     10100         100.93      38.763     -22.254      16.509       0.073     382.713     300.000       8.227    0      -38.386      34.340     -69.270     -22.444      53.384      12.630       0.319     -49.386       0.000       0.000      12.890      13.791      -1.736       0.000       0.000       0.000       0.000      14.494     -14.825       0.000
+     10200         101.93      32.271     -15.761      16.510       0.132     318.618     300.000       8.161    0      -36.022      34.804     -70.292     -20.907      69.621      12.824       0.306     -49.813       0.000       0.000      12.741      14.158      -1.658       0.000       0.000       0.000       0.000      12.400     -13.383       0.000
+     10300         102.93      35.732     -19.225      16.507       0.099     352.788     300.000       8.126    0      -37.771      34.440     -68.140     -20.642      79.145      12.419       0.525     -48.179       0.000       0.000      13.639      13.635      -2.142       0.000       0.000       0.000       0.000       9.822     -17.907       0.000
+     10400         103.93      37.962     -21.454      16.509       0.147     374.804     300.000       8.068    0      -38.958      34.144     -65.174     -19.080      59.418      12.386       0.660     -46.153       0.000       0.000      13.690      12.899      -2.172       0.000       0.000       0.000       0.000       9.756     -22.642       0.000
+     10500         104.93      33.518     -17.007      16.511       0.148     330.920     300.000       8.025    0      -39.456      33.205     -62.664     -21.874      75.966      12.596       0.733     -44.132       0.000       0.000      13.589      12.355      -1.821       0.000       0.000       0.000       0.000      14.787     -26.281       0.000
+     10600         105.93      37.669     -21.163      16.506       0.144     371.904     300.000       7.970    0      -39.692      33.362     -60.971     -22.203      86.907      12.783       0.600     -42.554       0.000       0.000      13.507      11.889      -1.738       0.000       0.000       0.000       0.000       8.397     -29.888       0.000
+     10700         106.93      35.890     -19.380      16.510       0.064     354.339     300.000       7.936    0      -40.182      33.416     -61.044     -22.258      72.992      12.745       0.341     -42.697       0.000       0.000      13.268      12.121      -1.436       0.000       0.000       0.000       0.000      13.124     -29.884       0.000
+     10800         107.93      36.240     -19.728      16.512       0.144     357.796     300.000       7.908    0      -39.654      33.168     -62.130     -21.521      56.583      12.943       0.072     -43.529       0.000       0.000      12.404      12.808      -2.129       0.000       0.000       0.000       0.000      14.672     -27.991       0.000
+     10900         108.93      36.919     -20.408      16.511       0.093     364.504     300.000       7.873    0      -39.170      33.442     -63.841     -22.263      64.841      12.801       0.297     -44.952       0.000       0.000      12.290      12.965      -2.268       0.000       0.000       0.000       0.000      13.648     -24.793       0.000
+     11000         109.93      37.261     -20.752      16.509       0.087     367.881     300.000       7.826    0      -40.308      34.607     -65.308     -24.434      87.174      12.622       0.462     -45.535       0.000       0.000      13.446      12.778      -2.408       0.000       0.000       0.000       0.000      13.437     -24.692       0.000
+     11100         110.93      34.246     -17.736      16.510       0.193     338.113     300.000       7.781    0      -39.699      35.312     -65.647     -22.395      94.056      12.647       0.379     -46.157       0.000       0.000      13.743      12.235      -2.198       0.000       0.000       0.000       0.000      12.641     -26.966       0.000
+     11200         111.93      35.247     -18.736      16.511       0.126     347.999     300.000       7.742    0      -40.911      35.400     -65.322     -22.997      97.202      12.732       0.198     -46.845       0.000       0.000      12.748      11.707      -2.031       0.000       0.000       0.000       0.000      14.654     -28.878       0.000
+     11300         112.93      35.394     -18.883      16.510       0.221     349.445     300.000       7.704    0      -40.510      36.212     -67.240     -21.335      86.963      13.142       0.092     -48.133       0.000       0.000      11.514      12.131      -2.368       0.000       0.000       0.000       0.000      13.148     -26.445       0.000
+     11400         113.93      33.832     -17.321      16.511       0.120     334.028     300.000       7.692    0      -39.039      37.579     -69.436     -21.314      58.895      13.213      -0.097     -49.462       0.000       0.000      12.237      12.270      -2.239       0.000       0.000       0.000       0.000      16.564     -23.121       0.000
+     11500         114.93      35.191     -18.680      16.511       0.150     347.446     300.000       7.671    0      -39.420      39.142     -71.261     -24.227      67.795      13.503      -0.249     -50.549       0.000       0.000      12.866      12.806      -2.867       0.000       0.000       0.000       0.000      15.517     -19.356       0.000
+     11600         115.93      36.578     -20.068      16.510       0.159     361.138     300.000       7.666    0      -39.061      38.290     -69.483     -23.844      66.484      13.499       0.007     -49.149       0.000       0.000      12.528      12.748      -2.612       0.000       0.000       0.000       0.000      12.552     -19.873       0.000
+     11700         116.93      39.794     -23.284      16.510       0.175     392.891     300.000       7.652    0      -39.107      37.349     -67.252     -25.012      47.085      13.506      -0.131     -47.908       0.000       0.000      11.692      12.810      -2.067       0.000       0.000       0.000       0.000      13.426     -22.510       0.000
+     11800         117.93      39.868     -23.359      16.509       0.161     393.620     300.000       7.629    0      -38.036      35.740     -64.836     -24.159      48.929      13.654      -0.559     -46.892       0.000       0.000      11.303      12.446      -1.412       0.000       0.000       0.000       0.000      12.283     -28.057       0.000
+     11900         118.93      40.563     -24.057      16.506       0.102     400.479     300.000       7.602    0      -39.576      35.510     -64.369     -24.185      59.341      14.134      -0.758     -46.973       0.000       0.000      10.611      12.807      -1.488       0.000       0.000       0.000       0.000      11.128     -29.324       0.000
+     12000         119.93      42.056     -25.549      16.507       0.101     415.218     300.000       7.600    0      -38.571      35.284     -65.676     -26.649      45.452      14.502      -0.420     -48.220       0.000       0.000      10.226      13.170      -1.400       0.000       0.000       0.000       0.000      13.148     -28.005       0.000
+     12100         120.93      44.047     -27.543      16.504       0.170     434.876     300.000       7.584    0      -39.474      36.914     -69.223     -25.595      52.115      14.926      -0.159     -51.286       0.000       0.000       9.952      13.757      -1.308       0.000       0.000       0.000       0.000       8.774     -25.224       0.000
+     12200         121.92      33.594     -17.094      16.500       0.168     331.676     300.000       7.576    0      -39.184      38.671     -74.185     -25.533      60.665      14.831      -0.042     -55.343       0.000       0.000      10.375      14.343      -0.960       0.000       0.000       0.000       0.000      17.960     -19.810       0.000
+     12300         122.92      41.588     -25.092      16.496       0.170     410.603     300.000       7.578    0      -40.306      39.392     -76.843     -24.411      52.731      14.726      -0.272     -57.573       0.000       0.000      10.118      14.589      -0.135       0.000       0.000       0.000       0.000      12.722     -18.680       0.000
+     12400         123.92      42.133     -25.636      16.497       0.129     415.983     300.000       7.595    0      -41.359      38.767     -77.285     -23.955      56.347      14.267      -0.620     -58.630       0.000       0.000       9.954      14.825       0.671       0.000       0.000       0.000       0.000      14.630     -17.086       0.000
+     12500         124.91      46.258     -29.775      16.483       0.150     456.709     300.000       7.599    0      -40.549      38.464     -77.182     -22.631      42.758      13.977      -0.748     -58.948       0.000       0.000      10.067      14.977       0.494       0.000       0.000       0.000       0.000      11.134     -15.925       0.000
+     12600         125.91      42.601     -26.119      16.482       0.099     420.602     300.000       7.615    0      -40.058      40.615     -82.359     -21.702      44.888      14.165      -0.604     -62.577       0.000       0.000       9.803      15.418       0.010       0.000       0.000       0.000       0.000      12.662      -7.906       0.000
+     12700         126.91      40.189     -23.707      16.482       0.190     396.784     300.000       7.595    0      -41.310      43.471     -87.636     -22.305      80.199      14.350      -0.616     -65.576       0.000       0.000       9.979      15.989      -0.594       0.000       0.000       0.000       0.000       9.606       6.863       0.000
+     12800         127.91      36.265     -19.782      16.483       0.086     358.047     300.000       7.595    0      -41.599      41.784     -82.245     -21.203      88.653      14.291      -0.763     -62.147       0.000       0.000       9.678      15.500      -1.062       0.000       0.000       0.000       0.000      11.658      -6.114       0.000
+     12900         128.91      38.670     -22.187      16.483       0.117     381.792     300.000       7.563    0      -42.979      42.064     -80.261     -21.104      98.293      14.457      -0.629     -60.834       0.000       0.000       9.829      15.468      -2.038       0.000       0.000       0.000       0.000       7.988     -13.488       0.000
+     13000         129.91      34.924     -18.441      16.483       0.128     344.803     300.000       7.539    0      -41.258      40.964     -76.475     -20.246      91.485      14.333      -0.826     -58.110       0.000       0.000       9.895      15.020      -1.784       0.000       0.000       0.000       0.000       9.111     -18.498       0.000
+     13100         130.91      39.539     -23.056      16.484       0.075     390.372     300.000       7.514    0      -42.133      38.355     -71.667     -20.299      77.509      13.927      -1.008     -54.666       0.000       0.000       9.299      14.755      -1.502       0.000       0.000       0.000       0.000       9.384     -24.485       0.000
+     13200         131.91      41.039     -24.554      16.485       0.124     405.182     300.000       7.469    0      -43.774      38.598     -73.271     -21.472      69.874      13.758      -1.044     -55.650       0.000       0.000       9.011      14.837      -1.535       0.000       0.000       0.000       0.000      13.822     -21.292       0.000
+     13300         132.91      42.699     -26.217      16.482       0.130     421.565     300.000       7.432    0      -42.553      40.622     -77.752     -21.215      62.436      13.332      -1.067     -58.288       0.000       0.000       9.800      15.149      -1.242       0.000       0.000       0.000       0.000      11.488     -11.761       0.000
+     13400         133.91      36.589     -20.105      16.484       0.115     361.242     300.000       7.388    0      -42.308      42.228     -80.885     -19.628      69.474      13.193      -0.998     -59.994       0.000       0.000      10.280      15.441      -1.440       0.000       0.000       0.000       0.000      13.659      -4.720       0.000
+     13500         134.91      36.982     -20.498      16.484       0.092     365.123     300.000       7.363    0      -42.280      39.977     -75.554     -20.292      55.549      13.316      -0.867     -56.320       0.000       0.000      10.621      14.978      -1.520       0.000       0.000       0.000       0.000      16.086     -16.254       0.000
+     13600         135.91      37.987     -21.503      16.484       0.198     375.049     300.000       7.343    0      -42.804      38.720     -70.918     -22.061      55.689      13.769      -0.561     -52.867       0.000       0.000      10.636      14.727      -2.546       0.000       0.000       0.000       0.000      15.336     -21.762       0.000
+     13700         136.91      35.402     -18.916      16.486       0.142     349.525     300.000       7.325    0      -42.182      38.540     -70.155     -22.217      65.704      13.871      -0.464     -52.292       0.000       0.000      10.650      14.926      -3.203       0.000       0.000       0.000       0.000      14.849     -21.617       0.000
+     13800         137.91      37.488     -21.005      16.483       0.095     370.118     300.000       7.333    0      -42.111      38.643     -72.114     -24.295      67.839      13.619      -0.345     -53.030       0.000       0.000      10.463      15.094      -3.860       0.000       0.000       0.000       0.000      16.063     -15.719       0.000
+     13900         138.89      46.734     -30.297      16.437       0.223     461.408     300.000       7.331    0      -42.257      39.036     -72.337     -24.183      58.918      13.502      -0.014     -52.667       0.000       0.000      10.609      14.944      -4.602       0.000       0.000       0.000       0.000       7.940     -14.308       0.000
+     14000         139.89      39.633     -23.194      16.439       0.120     391.298     300.000       7.356    0      -41.169      36.198     -66.722     -22.831      53.032      13.604       0.476     -48.547       0.000       0.000      10.718      13.965      -4.519       0.000       0.000       0.000       0.000      12.980     -19.991       0.000
+     14100         140.89      36.039     -19.598      16.441       0.137     355.811     300.000       7.382    0      -39.731      33.843     -61.917     -23.377      58.942      13.489       1.050     -45.692       0.000       0.000      10.668      13.111      -4.324       0.000       0.000       0.000       0.000      14.749     -26.324       0.000
+     14200         141.89      34.494     -18.051      16.442       0.251     340.557     300.000       7.427    0      -40.205      30.721     -55.367     -23.517      71.142      13.422       1.064     -41.294       0.000       0.000      10.158      12.290      -3.981       0.000       0.000       0.000       0.000      15.449     -31.459       0.000
+     14300         142.89      36.214     -19.774      16.440       0.082     357.545     300.000       7.454    0      -40.605      29.526     -52.224     -23.800      69.180      13.245       0.951     -39.229       0.000       0.000       9.953      11.899      -3.857       0.000       0.000       0.000       0.000      14.967     -32.763       0.000
+     14400         143.89      46.585     -30.147      16.438       0.113     459.938     300.000       7.486    0      -40.429      28.665     -51.566     -25.316      63.631      12.849       0.830     -38.532       0.000       0.000       9.973      11.991      -4.322       0.000       0.000       0.000       0.000       8.661     -32.314       0.000
+     14500         144.89      33.144     -16.701      16.443       0.188     327.232     300.000       7.523    0      -40.207      28.980     -53.323     -24.946     106.363      12.805       0.972     -39.273       0.000       0.000       9.713      12.254      -5.107       0.000       0.000       0.000       0.000      15.191     -29.665       0.000
+     14600         145.89      37.913     -21.473      16.440       0.141     374.319     300.000       7.552    0      -38.478      29.295     -54.969     -24.071      74.587      12.941       0.981     -40.852       0.000       0.000       9.591      12.296      -4.438       0.000       0.000       0.000       0.000      12.620     -27.878       0.000
+     14700         146.89      35.871     -19.430      16.441       0.118     354.160     300.000       7.570    0      -38.417      29.328     -55.771     -22.489      64.826      13.192       1.119     -41.729       0.000       0.000       9.360      12.202      -3.401       0.000       0.000       0.000       0.000      13.749     -25.184       0.000
+     14800         147.89      36.278     -19.837      16.441       0.210     358.178     300.000       7.579    0      -38.435      29.610     -56.855     -22.838      73.702      13.255       1.153     -42.713       0.000       0.000       9.340      12.034      -2.668       0.000       0.000       0.000       0.000      12.471     -23.242       0.000
+     14900         148.89      38.941     -22.502      16.439       0.145     384.465     300.000       7.558    0      -39.397      28.817     -52.489     -22.760      61.412      13.116       0.962     -39.884       0.000       0.000      10.055      10.954      -1.864       0.000       0.000       0.000       0.000      12.387     -29.300       0.000
+     15000         149.89      34.876     -18.435      16.441       0.193     344.332     300.000       7.533    0      -39.805      28.429     -50.069     -21.611      51.745      13.125       0.791     -37.692       0.000       0.000      10.464      10.636      -1.824       0.000       0.000       0.000       0.000      15.933     -29.496       0.000
+     15100         150.87      37.012     -20.680      16.332       0.128     365.421     300.000       7.533    0      -39.000      27.291     -48.198     -23.356      55.151      13.435       0.551     -35.939       0.000       0.000      10.900      10.707      -2.116       0.000       0.000       0.000       0.000      13.625     -30.430       0.000
+     15200         151.87      31.227     -14.894      16.334       0.221     308.307     300.000       7.491    0      -37.405      28.520     -50.450     -21.835      57.470      13.770       0.548     -37.015       0.000       0.000      11.019      11.407      -2.447       0.000       0.000       0.000       0.000      13.245     -27.144       0.000
+     15300         152.87      34.150     -17.816      16.334       0.139     337.168     300.000       7.475    0      -40.046      28.778     -50.426     -24.231      62.102      13.630       0.702     -36.416       0.000       0.000      10.837      11.124      -2.360       0.000       0.000       0.000       0.000      15.409     -24.859       0.000
+     15400         153.87      37.575     -21.244      16.331       0.193     370.976     300.000       7.451    0      -38.334      28.402     -48.080     -23.838      60.603      13.203       0.765     -34.667       0.000       0.000      10.565      10.513      -2.281       0.000       0.000       0.000       0.000       9.695     -27.423       0.000
+     15500         154.87      34.515     -18.180      16.334       0.114     340.766     300.000       7.422    0      -41.201      28.641     -47.046     -23.169      76.674      12.620       1.296     -34.331       0.000       0.000      10.846       9.978      -2.004       0.000       0.000       0.000       0.000      13.312     -30.206       0.000
+     15600         155.87      35.769     -19.436      16.333       0.105     353.151     300.000       7.398    0      -40.236      28.696     -45.635     -24.677      80.751      12.507       1.426     -33.509       0.000       0.000      10.859       9.742      -2.241       0.000       0.000       0.000       0.000      11.289     -33.354       0.000
+     15700         156.87      36.627     -20.294      16.333       0.140     361.619     300.000       7.386    0      -42.280      28.136     -44.775     -23.764      77.918      12.587       1.314     -32.606       0.000       0.000      10.742       9.824      -2.418       0.000       0.000       0.000       0.000      12.446     -32.708       0.000
+     15800         157.87      37.333     -21.001      16.332       0.105     368.590     300.000       7.366    0      -40.031      28.261     -44.815     -23.996      77.273      12.446       1.489     -32.282       0.000       0.000      10.623       9.580      -2.586       0.000       0.000       0.000       0.000       9.190     -31.712       0.000
+     15900         158.87      38.053     -21.721      16.331       0.156     375.696     300.000       7.369    0      -40.864      27.734     -43.981     -23.271      75.361      12.265       2.083     -31.074       0.000       0.000      10.641       9.245      -2.995       0.000       0.000       0.000       0.000       9.060     -31.641       0.000
+     16000         159.87      36.562     -20.226      16.335       0.140     360.974     300.000       7.354    0      -41.447      27.640     -43.853     -23.692      73.517      12.504       2.499     -30.413       0.000       0.000       9.943       9.015      -3.822       0.000       0.000       0.000       0.000      11.920     -32.528       0.000
+     16100         160.87      36.893     -20.563      16.331       0.143     364.250     300.000       7.347    0      -41.386      28.001     -43.582     -23.749      79.206      12.752       3.027     -29.774       0.000       0.000       9.246       8.828      -4.331       0.000       0.000       0.000       0.000       9.125     -33.279       0.000
+     16200         161.87      32.091     -15.757      16.334       0.158     316.839     300.000       7.344    0      -41.107      28.860     -44.210     -21.864      69.261      12.835       3.574     -30.235       0.000       0.000       9.071       8.968      -4.620       0.000       0.000       0.000       0.000      11.225     -32.969       0.000
+     16300         162.87      28.591     -12.255      16.336       0.093     282.279     300.000       7.326    0      -41.015      30.681     -47.423     -21.855      76.774      12.819       3.900     -32.436       0.000       0.000       9.518       9.447      -4.778       0.000       0.000       0.000       0.000      12.178     -30.514       0.000
+     16400         163.87      31.773     -15.438      16.335       0.099     313.699     300.000       7.324    0      -40.636      30.382     -48.520     -21.594      58.425      12.795       4.295     -33.286       0.000       0.000       8.612       9.747      -5.131       0.000       0.000       0.000       0.000      12.084     -30.420       0.000
+     16500         164.87      29.005     -12.669      16.336       0.206     286.368     300.000       7.338    0      -39.076      28.713     -46.840     -22.564      66.206      12.938       4.423     -32.692       0.000       0.000       7.077       9.561      -5.234       0.000       0.000       0.000       0.000      14.215     -32.954       0.000
+     16600         165.87      31.922     -15.590      16.332       0.123     315.164     300.000       7.317    0      -38.255      28.562     -46.025     -23.979      79.692      12.941       4.429     -32.506       0.000       0.000       6.491       9.649      -5.421       0.000       0.000       0.000       0.000       9.459     -34.953       0.000
+     16700         166.87      39.554     -23.222      16.332       0.153     390.514     300.000       7.308    0      -39.893      29.513     -46.478     -26.552      63.410      12.783       4.313     -32.492       0.000       0.000       7.510       9.448      -5.503       0.000       0.000       0.000       0.000       9.164     -35.080       0.000
+     16800         167.87      40.218     -23.887      16.331       0.238     397.078     300.000       7.295    0      -39.870      29.640     -46.118     -24.062      43.251      12.732       4.503     -32.369       0.000       0.000       7.963       9.075      -5.243       0.000       0.000       0.000       0.000       8.659     -35.714       0.000
+     16900         168.83      43.053     -26.766      16.287       0.113     425.062     300.000       7.277    0      -41.030      29.206     -45.849     -26.759      52.165      12.736       4.977     -33.035       0.000       0.000       7.273       9.064      -4.747       0.000       0.000       0.000       0.000       9.031     -37.711       0.000
+     17000         169.82      33.726     -17.449      16.277       0.160     332.978     300.000       7.232    0      -39.532      29.762     -47.467     -26.382      97.718      12.875       5.268     -34.331       0.000       0.000       6.675       9.260      -5.147       0.000       0.000       0.000       0.000       8.701     -38.517       0.000
+     17100         170.82      30.456     -14.178      16.279       0.132     300.697     300.000       7.192    0      -40.456      31.717     -49.801     -25.239      94.437      12.834       5.203     -35.790       0.000       0.000       6.627       9.645      -5.842       0.000       0.000       0.000       0.000      11.543     -37.686       0.000
+     17200         171.82      36.072     -19.792      16.280       0.072     356.141     300.000       7.177    0      -39.989      33.006     -52.771     -24.248      46.770      12.843       4.782     -37.884       0.000       0.000       7.116      10.361      -5.988       0.000       0.000       0.000       0.000      12.060     -35.219       0.000
+     17300         172.82      39.659     -23.381      16.278       0.163     391.555     300.000       7.172    0      -40.309      31.897     -52.998     -25.494      48.031      12.863       4.390     -38.281       0.000       0.000       7.063      10.710      -5.683       0.000       0.000       0.000       0.000      11.874     -34.002       0.000
+     17400         173.82      35.288     -19.008      16.280       0.087     348.400     300.000       7.141    0      -39.234      32.867     -55.251     -24.504      56.488      12.821       4.602     -40.249       0.000       0.000       6.471      11.105      -5.772       0.000       0.000       0.000       0.000      12.356     -33.295       0.000
+     17500         174.82      33.822     -17.544      16.278       0.178     333.924     300.000       7.123    0      -38.151      34.460     -58.283     -24.089      75.968      12.512       4.909     -42.923       0.000       0.000       6.070      11.284      -4.903       0.000       0.000       0.000       0.000       8.720     -32.443       0.000
+     17600         175.82      29.471     -13.200      16.271       0.128     290.967     300.000       7.108    0      -38.591      36.715     -62.883     -22.662      76.918      12.311       4.963     -46.260       0.000       0.000       6.273      11.685      -4.668       0.000       0.000       0.000       0.000      11.897     -27.519       0.000
+     17700         176.82      35.402     -19.131      16.271       0.196     349.523     300.000       7.097    0      -39.630      36.145     -62.444     -23.851      66.044      12.586       4.544     -46.370       0.000       0.000       6.861      12.300      -4.717       0.000       0.000       0.000       0.000      10.322     -29.068       0.000
+     17800         177.82      41.551     -25.284      16.267       0.127     410.232     300.000       7.089    0      -39.175      34.893     -62.152     -22.485      52.144      12.836       4.123     -46.538       0.000       0.000       7.127      12.664      -4.838       0.000       0.000       0.000       0.000       5.799     -29.916       0.000
+     17900         178.82      38.076     -21.806      16.270       0.098     375.922     300.000       7.080    0      -40.589      34.428     -62.320     -23.894      90.694      12.837       3.915     -47.103       0.000       0.000       8.397      12.579      -4.815       0.000       0.000       0.000       0.000       7.936     -30.428       0.000
+     18000         179.82      39.557     -23.287      16.271       0.108     390.552     300.000       7.038    0      -40.255      37.407     -67.649     -24.265      79.682      12.914       3.837     -51.018       0.000       0.000       9.219      13.132      -4.878       0.000       0.000       0.000       0.000       7.422     -26.155       0.000
+     18100         180.82      39.093     -22.822      16.271       0.092     385.966     300.000       7.010    0      -41.703      40.873     -75.598     -22.795      56.283      13.156       3.657     -56.456       0.000       0.000       9.847      14.011      -5.111       0.000       0.000       0.000       0.000      11.482     -14.148       0.000
+     18200         181.82      39.437     -23.167      16.270       0.085     389.363     300.000       6.982    0      -39.722      41.059     -77.782     -24.017      71.697      13.757       2.933     -57.974       0.000       0.000       9.355      15.197      -4.867       0.000       0.000       0.000       0.000       7.363     -16.276       0.000
+     18300         182.82      41.590     -25.317      16.273       0.145     410.623     300.000       6.963    0      -42.812      38.304     -75.908     -24.583      77.002      14.364       2.257     -57.097       0.000       0.000       7.800      16.022      -3.912       0.000       0.000       0.000       0.000      10.843     -24.353       0.000
+     18400         183.82      42.183     -25.914      16.270       0.094     416.476     300.000       6.947    0      -44.052      38.568     -79.340     -22.393      96.116      14.735       1.655     -59.860       0.000       0.000       6.885      16.753      -3.322       0.000       0.000       0.000       0.000       7.892     -20.976       0.000
+     18500         184.82      34.040     -17.769      16.272       0.101     336.083     300.000       6.930    0      -43.067      39.886     -83.373     -22.135     124.280      14.690       0.824     -62.778       0.000       0.000       7.119      17.309      -2.910       0.000       0.000       0.000       0.000      11.226     -14.059       0.000
+     18600         185.82      45.077     -28.806      16.271       0.079     445.043     300.000       6.924    0      -42.802      39.667     -83.457     -22.993      78.008      14.576       0.265     -63.324       0.000       0.000       7.654      17.338      -1.848       0.000       0.000       0.000       0.000       9.360     -15.106       0.000
+     18700         186.82      42.466     -26.195      16.272       0.148     419.273     300.000       6.933    0      -42.543      39.697     -84.109     -22.266      79.229      14.539      -0.068     -64.147       0.000       0.000       7.338      17.419      -1.054       0.000       0.000       0.000       0.000      11.318     -14.803       0.000
+     18800         187.82      35.277     -19.007      16.271       0.258     348.295     300.000       6.945    0      -38.546      41.392     -87.835     -21.174      79.496      14.512      -0.289     -66.810       0.000       0.000       7.675      17.892      -0.376       0.000       0.000       0.000       0.000      11.253      -8.084       0.000
+     18900         188.82      40.139     -23.869      16.269       0.158     396.291     300.000       6.938    0      -40.840      42.078     -88.263     -22.020      84.018      14.428      -0.446     -67.146       0.000       0.000       7.748      18.037      -0.104       0.000       0.000       0.000       0.000       8.851      -6.286       0.000
+     19000         189.82      39.330     -23.058      16.272       0.051     388.303     300.000       6.951    0      -40.899      39.953     -83.547     -22.152      68.790      14.176      -0.898     -64.072       0.000       0.000       6.893      17.628       0.181       0.000       0.000       0.000       0.000      13.836     -14.415       0.000
+     19100         190.82      34.863     -18.592      16.270       0.150     344.200     300.000       6.963    0      -41.134      38.355     -80.531     -20.234      90.675      14.161      -1.191     -61.906       0.000       0.000       5.926      17.476       0.301       0.000       0.000       0.000       0.000      13.497     -17.394       0.000
+     19200         191.82      38.830     -22.558      16.272       0.136     383.370     300.000       6.948    0      -41.655      38.349     -81.207     -22.694      77.664      14.795      -1.238     -63.170       0.000       0.000       5.397      17.903       0.528       0.000       0.000       0.000       0.000      14.151     -16.807       0.000
+     19300         192.82      36.255     -19.982      16.273       0.087     357.947     300.000       6.962    0      -39.274      37.528     -78.026     -24.521      72.861      15.054      -1.115     -60.693       0.000       0.000       5.591      17.455       0.247       0.000       0.000       0.000       0.000      15.334     -23.794       0.000
+     19400         193.82      35.947     -19.674      16.273       0.111     354.905     300.000       6.978    0      -42.670      37.453     -75.336     -22.641      72.715      14.871      -1.079     -57.814       0.000       0.000       5.841      17.077       0.085       0.000       0.000       0.000       0.000      16.267     -25.342       0.000
+     19500         194.82      34.900     -18.626      16.274       0.113     344.569     300.000       6.986    0      -39.995      36.331     -73.334     -23.783      82.210      14.514      -0.874     -56.261       0.000       0.000       6.270      16.655      -0.634       0.000       0.000       0.000       0.000      15.142     -29.680       0.000
+     19600         195.82      38.458     -22.186      16.272       0.225     379.696     300.000       6.972    0      -42.387      36.977     -72.996     -23.761      71.866      14.572      -0.843     -55.900       0.000       0.000       6.389      16.773      -0.953       0.000       0.000       0.000       0.000      14.934     -30.169       0.000
+     19700         196.82      35.280     -19.006      16.273       0.122     348.316     300.000       6.992    0      -42.469      36.654     -71.611     -25.941      80.142      15.160      -0.759     -54.257       0.000       0.000       5.366      16.903      -1.771       0.000       0.000       0.000       0.000      17.269     -29.295       0.000
+     19800         197.82      34.101     -17.830      16.271       0.236     336.677     300.000       6.989    0      -43.153      37.506     -72.276     -25.361      94.981      15.441      -0.994     -55.106       0.000       0.000       5.152      17.063      -1.479       0.000       0.000       0.000       0.000      15.054     -28.337       0.000
+     19900         198.82      33.000     -16.730      16.270       0.108     325.809     300.000       6.968    0      -41.850      38.952     -75.159     -25.202     102.464      15.212      -1.040     -57.381       0.000       0.000       5.758      17.129      -1.563       0.000       0.000       0.000       0.000      13.944     -26.962       0.000
+     20000         199.82      36.776     -20.507      16.269       0.124     363.093     300.000       6.934    0      -41.949      41.243     -79.361     -25.048      92.073      15.270      -1.086     -60.871       0.000       0.000       6.627      17.187      -1.388       0.000       0.000       0.000       0.000      12.132     -25.728       0.000
+     20100         200.82      38.945     -22.674      16.271       0.117     384.509     300.000       6.923    0      -41.949      43.374     -86.936     -24.241      67.495      15.277      -0.889     -66.558       0.000       0.000       7.373      17.617      -1.334       0.000       0.000       0.000       0.000      15.226     -16.263       0.000
+     20200         201.82      39.514     -23.242      16.272       0.117     390.124     300.000       6.904    0      -42.398      46.642     -94.334     -23.763      53.849      15.243      -0.652     -72.179       0.000       0.000       8.360      18.200      -0.820       0.000       0.000       0.000       0.000      16.358      -4.926       0.000
+     20300         202.82      35.883     -19.611      16.272       0.159     354.278     300.000       6.908    0      -40.692      46.012     -92.764     -23.274      68.275      15.072      -0.837     -71.090       0.000       0.000       9.160      17.426       0.098       0.000       0.000       0.000       0.000      15.901      -9.376       0.000
+     20400         203.82      40.822     -24.551      16.271       0.142     403.035     300.000       6.920    0      -42.575      46.446     -93.110     -22.132      55.324      14.997      -0.929     -71.244       0.000       0.000       8.625      17.355      -1.134       0.000       0.000       0.000       0.000      15.466     -11.290       0.000
+     20500         204.82      36.421     -20.150      16.272       0.117     359.588     300.000       6.967    0      -43.362      45.358     -91.459     -19.657      70.819      15.347      -1.030     -69.959       0.000       0.000       7.976      17.241      -0.910       0.000       0.000       0.000       0.000      15.404     -13.001       0.000
+     20600         205.82      36.652     -20.381      16.271       0.136     361.870     300.000       6.999    0      -43.458      45.374     -91.993     -19.095      76.715      15.527      -0.951     -69.926       0.000       0.000       7.957      17.088      -1.013       0.000       0.000       0.000       0.000      13.459      -9.195       0.000
+     20700         206.82      36.852     -20.581      16.271       0.132     363.837     300.000       7.032    0      -42.568      45.145     -92.082     -20.260      77.230      15.803      -1.127     -70.367       0.000       0.000       8.580      16.953      -0.770       0.000       0.000       0.000       0.000      13.916     -11.888       0.000
+     20800         207.82      37.864     -21.592      16.271       0.074     373.828     300.000       7.052    0      -43.433      46.160     -92.533     -20.339      65.094      16.389      -1.062     -70.039       0.000       0.000       9.014      17.139      -0.931       0.000       0.000       0.000       0.000      12.881      -9.417       0.000
+     20900         208.82      40.606     -24.336      16.270       0.110     400.902     300.000       7.063    0      -41.909      47.742     -97.724     -23.806      59.828      16.443      -0.620     -72.827       0.000       0.000      10.090      18.075      -1.632       0.000       0.000       0.000       0.000      11.754       3.125       0.000
+     21000         209.82      35.986     -19.717      16.269       0.085     355.288     300.000       7.074    0      -41.358      48.789     -99.426     -21.721      60.837      15.935      -0.527     -73.603       0.000       0.000      10.969      18.398      -1.418       0.000       0.000       0.000       0.000      12.703       5.775       0.000
+     21100         210.82      43.787     -27.518      16.269       0.132     432.315     300.000       7.124    0      -42.922      45.655     -92.546     -23.699      59.739      15.602      -0.585     -68.747       0.000       0.000      10.491      17.639      -2.324       0.000       0.000       0.000       0.000      11.430      -5.493       0.000
+     21200         211.82      41.673     -25.400      16.273       0.108     411.437     300.000       7.196    0      -42.631      42.803     -86.530     -24.073      47.743      15.674      -0.743     -64.787       0.000       0.000       9.326      16.921      -2.265       0.000       0.000       0.000       0.000      16.496     -13.928       0.000
+     21300         212.82      32.613     -16.340      16.273       0.080     321.986     300.000       7.274    0      -42.269      39.506     -80.025     -24.493      80.959      15.351      -0.641     -59.431       0.000       0.000       8.990      16.261      -2.052       0.000       0.000       0.000       0.000      20.608     -19.688       0.000
+     21400         213.82      37.678     -21.409      16.269       0.106     371.993     300.000       7.319    0      -41.132      37.560     -75.076     -25.002      76.154      15.023      -0.390     -56.196       0.000       0.000       9.647      15.624      -2.118       0.000       0.000       0.000       0.000      15.453     -25.387       0.000
+     21500         214.82      39.873     -23.603      16.271       0.087     393.672     300.000       7.361    0      -40.287      37.140     -73.560     -26.225      59.928      14.461       0.076     -54.727       0.000       0.000      11.883      15.020      -2.007       0.000       0.000       0.000       0.000      16.138     -25.975       0.000
+     21600         215.82      38.813     -22.544      16.269       0.173     383.199     300.000       7.399    0      -39.752      37.383     -73.137     -23.114      57.976      13.974       0.267     -54.390       0.000       0.000      13.130      14.735      -2.078       0.000       0.000       0.000       0.000      13.227     -24.372       0.000
+     21700         216.82      37.600     -21.326      16.274       0.143     371.225     300.000       7.438    0      -40.387      36.673     -73.484     -23.039      47.879      13.375       0.897     -54.794       0.000       0.000      13.674      14.450      -3.139       0.000       0.000       0.000       0.000      19.578     -23.208       0.000
+     21800         217.82      40.385     -24.113      16.272       0.079     398.722     300.000       7.473    0      -39.219      36.088     -73.256     -22.428      56.851      13.107       1.206     -54.806       0.000       0.000      13.049      14.022      -3.272       0.000       0.000       0.000       0.000      14.838     -23.662       0.000
+     21900         218.82      33.836     -17.565      16.271       0.140     334.060     300.000       7.499    0      -38.432      35.187     -70.793     -21.805      91.215      13.110       1.189     -52.852       0.000       0.000      11.481      13.586      -2.591       0.000       0.000       0.000       0.000      13.490     -24.301       0.000
+     22000         219.82      38.201     -21.932      16.269       0.265     377.163     300.000       7.525    0      -40.046      34.509     -67.096     -24.230      91.892      13.237       1.014     -50.111       0.000       0.000      10.976      12.741      -2.546       0.000       0.000       0.000       0.000      13.078     -27.477       0.000
+     22100         220.82      31.247     -14.979      16.267       0.176     308.500     300.000       7.549    0      -39.374      34.835     -64.875     -22.404      88.712      13.538       0.786     -48.572       0.000       0.000      10.497      12.282      -2.162       0.000       0.000       0.000       0.000      15.355     -29.305       0.000
+     22200         221.82      36.608     -20.342      16.267       0.171     361.435     300.000       7.570    0      -40.142      35.924     -67.062     -23.334      76.663      13.183       1.180     -49.963       0.000       0.000      10.956      12.289      -1.827       0.000       0.000       0.000       0.000      13.518     -22.797       0.000
+     22300         222.82      31.399     -15.127      16.273       0.098     310.006     300.000       7.590    0      -39.881      35.526     -68.827     -21.364      68.407      13.216       1.396     -50.966       0.000       0.000      10.646      12.660      -2.292       0.000       0.000       0.000       0.000      18.939     -21.103       0.000
+     22400         223.82      37.820     -21.550      16.270       0.151     373.400     300.000       7.612    0      -40.331      34.761     -68.455     -21.598      71.188      13.220       1.846     -50.877       0.000       0.000       9.784      12.799      -3.203       0.000       0.000       0.000       0.000      14.088     -24.994       0.000
+     22500         224.82      33.389     -17.119      16.270       0.097     329.649     300.000       7.636    0      -40.069      33.862     -67.163     -21.200      87.611      13.615       1.743     -50.063       0.000       0.000       8.387      12.884      -3.752       0.000       0.000       0.000       0.000      14.971     -24.538       0.000
+     22600         225.82      33.528     -17.261      16.267       0.148     331.024     300.000       7.674    0      -39.840      32.694     -65.739     -20.350     101.731      14.011       1.860     -48.802       0.000       0.000       6.712      13.061      -4.332       0.000       0.000       0.000       0.000      10.597     -21.534       0.000
+     22700         226.80      36.662     -20.413      16.249       0.184     361.965     300.000       7.691    0      -40.651      32.056     -64.392     -21.123      79.430      14.171       2.248     -47.645       0.000       0.000       5.958      13.301      -4.151       0.000       0.000       0.000       0.000      11.563     -24.045       0.000
+     22800         227.80      36.278     -20.028      16.250       0.167     358.177     300.000       7.698    0      -39.575      31.866     -62.814     -24.118      49.912      14.515       2.162     -46.790       0.000       0.000       5.741      13.282      -3.512       0.000       0.000       0.000       0.000      17.246     -29.697       0.000
+     22900         228.80      31.757     -15.506      16.251       0.134     313.539     300.000       7.711    0      -40.131      32.011     -61.646     -24.756      71.506      15.056       1.855     -45.606       0.000       0.000       5.121      13.600      -3.679       0.000       0.000       0.000       0.000      17.588     -32.750       0.000
+     23000         229.80      36.661     -20.410      16.251       0.112     361.953     300.000       7.704    0      -39.010      32.654     -63.512     -24.894      42.983      15.330       1.693     -46.826       0.000       0.000       4.942      14.013      -4.247       0.000       0.000       0.000       0.000      16.109     -31.846       0.000
+     23100         230.80      37.730     -21.479      16.251       0.140     372.510     300.000       7.717    0      -39.167      33.454     -64.688     -26.917      47.363      15.274       1.968     -47.145       0.000       0.000       4.858      14.322      -5.533       0.000       0.000       0.000       0.000      16.312     -29.545       0.000
+     23200         231.80      33.794     -17.545      16.249       0.127     333.651     300.000       7.729    0      -38.185      35.255     -67.443     -24.230      52.940      15.435       2.045     -48.447       0.000       0.000       5.474      15.131      -6.415       0.000       0.000       0.000       0.000      12.572     -23.218       0.000
+     23300         232.80      33.947     -17.697      16.250       0.120     335.161     300.000       7.739    0      -38.205      35.140     -70.247     -24.869      49.101      15.479       1.861     -50.875       0.000       0.000       4.952      15.513      -5.514       0.000       0.000       0.000       0.000      16.105     -23.485       0.000
+     23400         233.80      36.447     -20.198      16.248       0.214     359.838     300.000       7.742    0      -38.936      36.721     -75.095     -25.242      73.404      15.493       1.586     -54.298       0.000       0.000       4.336      15.976      -5.150       0.000       0.000       0.000       0.000      12.427     -18.760       0.000
+     23500         234.80      32.534     -16.285      16.249       0.118     321.214     300.000       7.745    0      -37.595      36.178     -77.030     -22.934      72.396      15.564       1.188     -56.178       0.000       0.000       4.090      16.198      -4.052       0.000       0.000       0.000       0.000      14.437     -17.885       0.000
+     23600         235.80      38.534     -22.284      16.250       0.088     380.443     300.000       7.774    0      -38.298      36.040     -78.576     -21.791      55.626      15.470       1.136     -57.720       0.000       0.000       3.016      16.502      -3.963       0.000       0.000       0.000       0.000      12.200     -13.760       0.000
+     23700         236.80      39.308     -23.059      16.249       0.084     388.087     300.000       7.796    0      -39.390      35.350     -77.622     -22.988      58.449      15.387       1.013     -58.327       0.000       0.000       4.233      16.527      -3.998       0.000       0.000       0.000       0.000      15.255     -19.285       0.000
+     23800         237.80      40.164     -23.918      16.246       0.101     396.538     300.000       7.792    0      -39.186      37.080     -80.272     -22.688      73.274      15.340       0.934     -60.546       0.000       0.000       5.391      16.854      -4.391       0.000       0.000       0.000       0.000      11.121     -18.568       0.000
+     23900         238.80      40.976     -24.729      16.246       0.199     404.553     300.000       7.802    0      -39.979      38.445     -83.999     -23.108      87.003      15.377       0.689     -63.529       0.000       0.000       6.393      17.268      -3.815       0.000       0.000       0.000       0.000       9.913     -13.677       0.000
+     24000         239.80      37.079     -20.830      16.248       0.103     366.080     300.000       7.813    0      -38.939      38.794     -86.926     -22.734      74.903      15.757       0.324     -65.670       0.000       0.000       5.169      18.135      -3.654       0.000       0.000       0.000       0.000      14.170      -7.730       0.000
+     24100         240.80      36.865     -20.617      16.247       0.084     363.967     300.000       7.823    0      -39.650      39.996     -88.322     -22.330      78.570      16.174       0.069     -66.199       0.000       0.000       4.129      18.512      -4.032       0.000       0.000       0.000       0.000      12.519      -3.920       0.000
+     24200         241.80      30.692     -14.444      16.248       0.138     303.019     300.000       7.820    0      -39.726      42.440     -89.378     -20.531      91.438      16.368       0.064     -66.500       0.000       0.000       4.111      18.455      -5.457       0.000       0.000       0.000       0.000      12.461      -5.215       0.000
+     24300         242.80      37.496     -21.250      16.247       0.144     370.203     300.000       7.816    0      -39.313      43.910     -92.748     -20.418      64.181      15.981       0.151     -69.015       0.000       0.000       5.625      18.613      -5.499       0.000       0.000       0.000       0.000      10.101       0.030       0.000
+     24400         243.80      36.669     -20.423      16.247       0.065     362.038     300.000       7.845    0      -39.270      42.197     -90.801     -22.875      64.248      15.695       0.308     -68.467       0.000       0.000       6.302      18.500      -3.837       0.000       0.000       0.000       0.000      14.144      -0.713       0.000
+     24500         244.80      31.520     -15.273      16.247       0.166     311.202     300.000       7.853    0      -39.135      43.368     -90.889     -25.038      88.146      15.556       0.627     -68.366       0.000       0.000       6.634      18.680      -3.123       0.000       0.000       0.000       0.000      14.069       5.617       0.000
+     24600         245.80      35.632     -19.385      16.247       0.079     351.792     300.000       7.865    0      -38.961      42.125     -85.547     -26.249      80.383      15.563       0.461     -64.444       0.000       0.000       6.924      17.997      -2.792       0.000       0.000       0.000       0.000      11.107      -4.372       0.000
+     24700         246.80      37.389     -21.141      16.248       0.100     369.142     300.000       7.886    0      -38.439      38.032     -78.096     -25.582      60.491      15.915       0.301     -58.875       0.000       0.000       5.742      17.499      -3.368       0.000       0.000       0.000       0.000      12.434     -18.005       0.000
+     24800         247.79      34.921     -18.689      16.232       0.496     344.777     300.000       7.903    0      -41.005      36.169     -76.837     -24.927      77.076      16.570       0.051     -58.305       0.000       0.000       3.506      18.010      -3.878       0.000       0.000       0.000       0.000      16.243     -23.079       0.000
+     24900         248.78      36.695     -20.432      16.263       0.166     362.290     300.000       7.913    0      -40.830      36.620     -79.480     -24.709      94.223      17.104       0.183     -60.223       0.000       0.000       2.672      18.336      -3.109       0.000       0.000       0.000       0.000      10.535     -18.743       0.000
+     25000         249.78      33.398     -17.133      16.265       0.086     329.737     300.000       7.909    0      -39.816      38.602     -84.142     -23.924      79.344      17.166       0.276     -63.896       0.000       0.000       3.078      18.583      -2.584       0.000       0.000       0.000       0.000      13.857     -11.843       0.000
+     25100         250.78      39.151     -22.888      16.264       0.135     386.543     300.000       7.908    0      -40.946      38.785     -85.002     -24.229      79.728      17.028       0.363     -64.649       0.000       0.000       3.913      18.307      -2.089       0.000       0.000       0.000       0.000      10.637     -11.248       0.000
+     25200         251.78      41.022     -24.760      16.262       0.106     405.007     300.000       7.898    0      -41.407      39.520     -85.288     -23.653      81.694      16.658       0.333     -64.321       0.000       0.000       4.793      17.940      -2.227       0.000       0.000       0.000       0.000       8.916     -13.529       0.000
+     25300         252.78      30.219     -13.954      16.265       0.115     298.356     300.000       7.873    0      -37.909      41.353     -88.551     -21.124      77.698      16.658       0.041     -65.650       0.000       0.000       4.153      18.255      -1.701       0.000       0.000       0.000       0.000      11.556      -5.899       0.000
+     25400         253.78      29.885     -13.619      16.266       0.131     295.058     300.000       7.852    0      -39.353      40.206     -86.402     -21.320      74.148      16.432       0.076     -64.658       0.000       0.000       3.458      17.857      -0.984       0.000       0.000       0.000       0.000      15.931     -12.198       0.000
+     25500         254.78      37.575     -21.313      16.262       0.098     370.980     300.000       7.808    0      -39.049      41.217     -88.202     -19.366      59.061      15.964       0.170     -66.668       0.000       0.000       4.617      17.592       0.058       0.000       0.000       0.000       0.000       8.882     -11.636       0.000
+     25600         255.78      35.466     -19.202      16.263       0.165     350.157     300.000       7.774    0      -38.736      42.314     -91.156     -19.181      53.787      15.477       0.331     -69.320       0.000       0.000       5.682      17.395       0.380       0.000       0.000       0.000       0.000      12.911      -7.513       0.000
+     25700         256.78      29.041     -12.775      16.266       0.147     286.720     300.000       7.768    0      -38.239      43.895     -94.044     -18.126      73.050      15.065       0.552     -71.618       0.000       0.000       6.740      17.483      -0.187       0.000       0.000       0.000       0.000      14.566      -0.228       0.000
+     25800         257.78      36.549     -20.286      16.263       0.149     360.848     300.000       7.798    0      -38.493      40.499     -87.605     -19.423      72.969      14.748       0.673     -66.655       0.000       0.000       6.389      17.134      -0.385       0.000       0.000       0.000       0.000       9.672      -8.086       0.000
+     25900         258.78      36.107     -19.843      16.264       0.156     356.488     300.000       7.815    0      -39.461      38.360     -82.502     -21.716      82.434      14.373       0.643     -63.012       0.000       0.000       6.496      16.672      -0.342       0.000       0.000       0.000       0.000      12.733     -12.626       0.000
+     26000         259.78      34.464     -18.199      16.265       0.141     340.266     300.000       7.862    0      -38.018      37.118     -78.739     -20.479      65.817      14.088       0.541     -60.341       0.000       0.000       7.122      16.079      -0.488       0.000       0.000       0.000       0.000      13.892     -15.344       0.000
+     26100         260.78      36.280     -20.016      16.264       0.168     358.191     300.000       7.880    0      -37.882      34.630     -72.731     -23.098      69.671      14.179       0.322     -55.858       0.000       0.000       6.442      15.983      -1.367       0.000       0.000       0.000       0.000      13.812     -22.428       0.000
+     26200         261.78      36.199     -19.934      16.265       0.109     357.398     300.000       7.911    0      -38.252      32.677     -67.168     -24.572      60.128      14.302       0.213     -51.407       0.000       0.000       6.824      15.517      -1.991       0.000       0.000       0.000       0.000      16.576     -28.238       0.000
+     26300         262.78      41.650     -25.388      16.262       0.150     411.209     300.000       7.919    0      -37.688      31.409     -62.756     -25.106      56.693      14.452       0.236     -47.544       0.000       0.000       7.137      15.309      -2.738       0.000       0.000       0.000       0.000       9.671     -32.442       0.000
+     26400         263.78      30.131     -13.865      16.267       0.101     297.489     300.000       7.939    0      -36.757      31.578     -63.369     -26.393      89.361      14.245       0.371     -47.419       0.000       0.000       8.094      15.155      -3.097       0.000       0.000       0.000       0.000      16.422     -29.594       0.000
+     26500         264.78      38.980     -22.718      16.262       0.298     384.849     300.000       7.976    0      -37.796      30.523     -61.876     -26.473      79.170      14.206       0.163     -46.628       0.000       0.000       7.023      15.237      -3.073       0.000       0.000       0.000       0.000      11.536     -30.624       0.000
+     26600         265.78      30.060     -13.794      16.266       0.127     296.787     300.000       8.023    0      -36.945      29.653     -60.807     -25.326      72.745      14.249       0.018     -46.030       0.000       0.000       6.351      15.188      -2.877       0.000       0.000       0.000       0.000      19.629     -30.742       0.000
+     26700         266.78      36.558     -20.295      16.263       0.152     360.939     300.000       8.057    0      -36.748      30.609     -63.296     -24.579      79.727      13.988       0.123     -47.894       0.000       0.000       6.017      15.188      -2.686       0.000       0.000       0.000       0.000      11.978     -28.668       0.000
+     26800         267.78      42.254     -25.991      16.263       0.177     417.175     300.000       8.091    0      -37.116      30.782     -64.696     -25.123      63.953      13.864       0.112     -49.091       0.000       0.000       6.304      15.430      -2.678       0.000       0.000       0.000       0.000      10.782     -26.694       0.000
+     26900         268.78      43.603     -27.342      16.261       0.188     430.492     300.000       8.113    0      -37.448      31.165     -66.755     -25.020      57.730      13.902       0.214     -51.085       0.000       0.000       5.589      15.976      -2.326       0.000       0.000       0.000       0.000      10.820     -23.205       0.000
+     27000         269.78      35.718     -19.455      16.263       0.081     352.646     300.000       8.119    0      -36.850      32.144     -69.714     -24.921      79.077      13.917       0.319     -53.739       0.000       0.000       6.182      16.296      -1.224       0.000       0.000       0.000       0.000      14.182     -20.835       0.000
+     27100         270.78      35.106     -18.843      16.263       0.147     346.606     300.000       8.117    0      -36.422      33.677     -72.966     -23.447      83.452      13.977       0.601     -56.293       0.000       0.000       6.624      16.467      -1.130       0.000       0.000       0.000       0.000      11.838     -21.006       0.000
+     27200         271.78      38.681     -22.420      16.261       0.182     381.896     300.000       8.111    0      -38.068      35.272     -77.904     -22.870      92.363      14.002       0.828     -60.139       0.000       0.000       6.411      16.986      -1.114       0.000       0.000       0.000       0.000       8.851     -12.961       0.000
+     27300         272.78      40.455     -24.192      16.262       0.158     399.409     300.000       8.130    0      -38.752      37.040     -81.639     -20.631      53.016      13.835       0.810     -62.847       0.000       0.000       6.157      17.166      -0.776       0.000       0.000       0.000       0.000      11.815      -4.805       0.000
+     27400         273.78      37.184     -20.920      16.263       0.086     367.116     300.000       8.163    0      -37.993      37.073     -81.032     -19.641      55.006      13.726       0.711     -62.261       0.000       0.000       6.381      16.821      -0.348       0.000       0.000       0.000       0.000      12.459      -4.402       0.000
+     27500         274.78      38.629     -22.366      16.263       0.101     381.381     300.000       8.176    0      -40.838      37.276     -79.720     -19.015      69.359      13.819       0.692     -61.271       0.000       0.000       6.841      16.677      -0.290       0.000       0.000       0.000       0.000      10.482      -7.719       0.000
+     27600         275.78      36.494     -20.230      16.265       0.111     360.309     300.000       8.203    0      -40.580      36.922     -78.063     -21.666      69.846      14.013       0.688     -59.600       0.000       0.000       6.958      16.520       0.026       0.000       0.000       0.000       0.000      13.962     -11.522       0.000
+     27700         276.78      41.151     -24.888      16.262       0.122     406.282     300.000       8.226    0      -40.112      33.695     -73.160     -23.103      76.283      14.329       0.485     -55.767       0.000       0.000       6.129      16.605      -0.313       0.000       0.000       0.000       0.000      10.017     -19.121       0.000
+     27800         277.78      30.746     -14.482      16.264       0.137     303.558     300.000       8.239    0      -40.146      32.811     -72.280     -22.981     106.818      14.697       0.376     -54.595       0.000       0.000       5.220      16.817      -0.957       0.000       0.000       0.000       0.000      15.224     -18.473       0.000
+     27900         278.78      29.452     -13.185      16.266       0.119     290.778     300.000       8.231    0      -38.695      33.268     -72.769     -23.556      90.820      14.828       0.231     -54.481       0.000       0.000       5.125      16.847      -0.366       0.000       0.000       0.000       0.000      16.848     -17.798       0.000
+     28000         279.78      33.765     -17.502      16.263       0.096     333.362     300.000       8.220    0      -37.241      35.098     -76.276     -21.987      63.897      14.740       0.267     -56.254       0.000       0.000       5.227      17.118       0.214       0.000       0.000       0.000       0.000      11.841      -9.617       0.000
+     28100         280.78      39.826     -23.564      16.262       0.119     393.208     300.000       8.206    0      -35.836      34.486     -74.461     -23.672      47.450      14.691       0.122     -55.369       0.000       0.000       5.443      16.937       0.180       0.000       0.000       0.000       0.000       9.183     -16.613       0.000
+     28200         281.78      38.485     -22.220      16.265       0.144     379.960     300.000       8.202    0      -34.971      34.074     -74.028     -23.961      29.693      15.159      -0.352     -55.354       0.000       0.000       5.083      17.276      -0.030       0.000       0.000       0.000       0.000      12.349     -16.592       0.000
+     28300         282.78      30.146     -13.881      16.265       0.114     297.636     300.000       8.214    0      -34.119      33.261     -74.660     -25.732      61.357      15.653      -0.875     -56.093       0.000       0.000       4.217      17.805      -0.373       0.000       0.000       0.000       0.000      17.270     -12.075       0.000
+     28400         283.78      25.785      -9.518      16.267       0.104     254.580     300.000       8.210    0      -35.043      32.993     -74.231     -25.282      94.332      15.817      -0.978     -56.228       0.000       0.000       3.897      17.921      -0.368       0.000       0.000       0.000       0.000      17.131     -14.337       0.000
+     28500         284.78      29.896     -13.629      16.266       0.083     295.163     300.000       8.206    0      -35.474      34.109     -76.426     -26.560      86.255      15.897      -1.073     -58.078       0.000       0.000       3.696      18.399      -0.087       0.000       0.000       0.000       0.000      16.006     -14.501       0.000
+     28600         285.78      34.767     -18.502      16.265       0.122     343.256     300.000       8.233    0      -36.023      35.962     -79.803     -24.226      65.027      15.855      -1.185     -60.217       0.000       0.000       3.411      18.632       0.322       0.000       0.000       0.000       0.000      11.959      -8.048       0.000
+     28700         286.78      39.183     -22.920      16.264       0.220     386.858     300.000       8.253    0      -35.403      35.747     -81.296     -25.938      47.040      15.678      -1.081     -60.912       0.000       0.000       2.462      18.896       0.597       0.000       0.000       0.000       0.000      12.836      -6.617       0.000
+     28800         287.78      32.070     -15.804      16.266       0.098     316.629     300.000       8.271    0      -36.405      35.665     -81.581     -25.640      52.883      15.431      -1.123     -62.126       0.000       0.000       2.358      18.814       1.336       0.000       0.000       0.000       0.000      21.495     -10.127       0.000
+     28900         288.78      41.591     -25.329      16.262       0.152     410.632     300.000       8.281    0      -35.594      36.505     -83.162     -26.565      59.844      15.467      -1.511     -64.567       0.000       0.000       2.227      18.974       2.098       0.000       0.000       0.000       0.000      11.503     -10.893       0.000
+     29000         289.78      38.483     -22.220      16.263       0.100     379.944     300.000       8.293    0      -36.286      38.244     -87.898     -24.593      60.806      15.756      -1.893     -68.591       0.000       0.000       2.075      19.608       3.104       0.000       0.000       0.000       0.000      12.978      -3.630       0.000
+     29100         290.78      34.687     -18.423      16.264       0.148     342.465     300.000       8.275    0      -36.043      39.168     -90.124     -24.654      76.395      16.144      -2.194     -70.676       0.000       0.000       1.981      19.975       3.164       0.000       0.000       0.000       0.000      14.257      -5.409       0.000
+     29200         291.78      36.004     -19.741      16.264       0.187     355.474     300.000       8.248    0      -36.976      41.269     -94.578     -21.675      68.435      15.995      -2.201     -74.252       0.000       0.000       2.664      20.271       3.772       0.000       0.000       0.000       0.000      12.351      -1.719       0.000
+     29300         292.78      35.146     -18.883      16.263       0.087     347.001     300.000       8.216    0      -36.907      44.657    -102.456     -20.946      57.551      15.760      -2.126     -80.031       0.000       0.000       2.995      20.942       4.498       0.000       0.000       0.000       0.000      13.515      15.311       0.000
+     29400         293.78      36.618     -20.357      16.261       0.129     361.535     300.000       8.173    0      -36.098      45.495    -103.147     -22.637      65.149      15.811      -1.985     -80.640       0.000       0.000       3.115      21.125       4.498       0.000       0.000       0.000       0.000      10.700      12.755       0.000
+     29500         294.78      33.017     -16.755      16.262       0.299     325.981     300.000       8.145    0      -35.930      46.359    -102.791     -23.495      71.892      15.972      -1.855     -80.027       0.000       0.000       2.675      21.168       4.074       0.000       0.000       0.000       0.000      11.990      11.262       0.000
+     29600         295.78      30.223     -13.959      16.264       0.122     298.393     300.000       8.143    0      -36.041      44.520     -98.788     -24.493      73.809      16.129      -1.743     -76.511       0.000       0.000       2.212      20.783       3.196       0.000       0.000       0.000       0.000      16.499      -0.742       0.000
+     29700         296.78      40.557     -24.297      16.260       0.142     400.420     300.000       8.136    0      -36.652      42.884     -96.269     -25.032      59.328      16.220      -1.665     -74.941       0.000       0.000       2.783      20.671       2.739       0.000       0.000       0.000       0.000      10.762      -5.837       0.000
+     29800         297.78      36.564     -20.302      16.262       0.170     360.994     300.000       8.151    0      -34.883      42.302     -96.112     -26.631      73.547      16.369      -1.484     -74.700       0.000       0.000       2.782      20.790       2.043       0.000       0.000       0.000       0.000      11.979      -3.306       0.000
+     29900         298.78      33.348     -17.087      16.261       0.085     329.245     300.000       8.180    0      -33.458      41.041     -94.015     -26.590      56.932      16.469      -1.339     -72.913       0.000       0.000       2.684      20.576       1.557       0.000       0.000       0.000       0.000      16.018      -4.038       0.000
+     30000         299.78      34.781     -18.519      16.262       0.123     343.391     300.000       8.187    0      -35.498      40.518     -92.752     -24.936      44.770      16.576      -1.240     -71.525       0.000       0.000       2.589      20.336       0.959       0.000       0.000       0.000       0.000      17.096      -2.927       0.000
+     30100         300.78      36.832     -20.570      16.262       0.045     363.640     300.000       8.182    0      -35.784      40.253     -90.344     -22.834      46.713      16.397      -1.444     -69.216       0.000       0.000       3.261      19.890       0.179       0.000       0.000       0.000       0.000      12.805      -7.636       0.000
+     30200         301.78      43.032     -26.773      16.258       0.204     424.852     300.000       8.181    0      -36.173      38.264     -85.896     -24.747      52.722      16.100      -1.697     -65.571       0.000       0.000       4.810      19.424      -0.266       0.000       0.000       0.000       0.000       9.257     -13.663       0.000
+     30300         302.78      33.891     -17.629      16.262       0.054     334.606     300.000       8.161    0      -36.567      37.194     -83.330     -25.182      84.193      16.270      -1.885     -63.312       0.000       0.000       5.698      19.454      -0.752       0.000       0.000       0.000       0.000      13.444     -14.911       0.000
+     30400         303.78      31.435     -15.173      16.262       0.201     310.357     300.000       8.131    0      -36.219      37.385     -83.869     -24.936      96.988      16.238      -2.085     -63.233       0.000       0.000       6.277      19.516      -0.875       0.000       0.000       0.000       0.000      13.044     -12.005       0.000
+     30500         304.78      28.317     -12.052      16.265       0.122     279.576     300.000       8.081    0      -36.813      38.179     -85.099     -22.795      70.922      15.953      -1.690     -64.167       0.000       0.000       6.086      19.478      -0.767       0.000       0.000       0.000       0.000      18.594     -10.614       0.000
+     30600         305.78      41.153     -24.890      16.263       0.148     406.309     300.000       8.056    0      -37.668      37.938     -83.882     -24.372      38.877      15.426      -1.136     -63.358       0.000       0.000       6.532      18.921      -1.349       0.000       0.000       0.000       0.000      14.921     -14.159       0.000
+     30700         306.78      35.606     -19.346      16.260       0.123     351.540     300.000       8.042    0      -34.939      37.345     -82.534     -24.003      57.363      15.158      -0.717     -61.787       0.000       0.000       7.059      18.603      -1.307       0.000       0.000       0.000       0.000      12.935     -13.996       0.000
+     30800         307.78      34.572     -18.309      16.262       0.156     341.327     300.000       8.022    0      -36.737      37.270     -80.954     -23.144      64.856      14.856      -0.416     -61.469       0.000       0.000       7.087      18.120      -0.493       0.000       0.000       0.000       0.000      13.836     -17.321       0.000
+     30900         308.78      34.862     -18.599      16.263       0.112     344.189     300.000       8.014    0      -36.067      36.268     -78.920     -24.399      72.378      14.719      -0.394     -60.443       0.000       0.000       7.474      17.705      -0.243       0.000       0.000       0.000       0.000      13.295     -17.654       0.000
+     31000         309.78      22.847      -6.583      16.265       0.142     225.572     300.000       8.001    0      -35.567      37.349     -81.077     -21.535      90.155      14.871      -0.471     -61.517       0.000       0.000       7.780      17.991      -0.447       0.000       0.000       0.000       0.000      16.925      -6.560       0.000
+     31100         310.78      32.834     -16.570      16.264       0.074     324.174     300.000       8.006    0      -36.278      36.158     -76.833     -25.112      66.583      14.560      -0.413     -58.339       0.000       0.000       7.849      17.325      -0.275       0.000       0.000       0.000       0.000      16.119     -17.910       0.000
+     31200         311.78      32.123     -15.861      16.262       0.108     317.153     300.000       8.009    0      -35.863      35.603     -73.325     -22.910      65.193      14.420      -0.526     -55.909       0.000       0.000       8.002      16.749       0.105       0.000       0.000       0.000       0.000      13.357     -25.723       0.000
+     31300         312.78      31.314     -15.050      16.264       0.098     309.161     300.000       8.025    0      -35.844      33.930     -70.889     -24.946      64.083      14.828      -0.383     -54.095       0.000       0.000       7.034      16.680      -0.471       0.000       0.000       0.000       0.000      16.541     -26.912       0.000
+     31400         313.78      34.590     -18.329      16.260       0.140     341.505     300.000       8.053    0      -34.525      32.155     -68.588     -23.647      61.206      15.101      -0.310     -52.304       0.000       0.000       6.181      16.635      -1.202       0.000       0.000       0.000       0.000      10.792     -25.788       0.000
+     31500         314.78      34.777     -18.517      16.261       0.148     343.358     300.000       8.058    0      -36.588      33.633     -73.277     -22.668      67.264      15.191      -0.389     -55.649       0.000       0.000       5.713      17.209      -1.121       0.000       0.000       0.000       0.000      11.774     -17.399       0.000
+     31600         315.78      34.620     -18.358      16.262       0.069     341.800     300.000       8.064    0      -36.155      35.108     -77.297     -23.916      55.787      15.298      -0.335     -58.682       0.000       0.000       6.380      17.319      -0.247       0.000       0.000       0.000       0.000      14.866     -13.657       0.000
+     31700         316.78      33.886     -17.623      16.263       0.116     334.554     300.000       8.078    0      -37.004      36.373     -80.528     -22.105      51.026      15.357      -0.068     -60.650       0.000       0.000       6.996      17.461       0.060       0.000       0.000       0.000       0.000      15.103      -9.942       0.000
+     31800         317.78      34.110     -17.851      16.260       0.183     336.774     300.000       8.112    0      -37.797      36.562     -81.137     -20.554      56.835      15.458       0.048     -60.492       0.000       0.000       6.419      17.466       0.313       0.000       0.000       0.000       0.000      12.483      -6.842       0.000
+     31900         318.78      37.106     -20.846      16.260       0.116     366.349     300.000       8.158    0      -36.791      34.593     -76.758     -24.778      66.781      15.417      -0.030     -57.945       0.000       0.000       6.768      17.010       0.149       0.000       0.000       0.000       0.000      12.264     -15.707       0.000
+     32000         319.78      32.547     -16.284      16.263       0.098     321.338     300.000       8.185    0      -36.069      33.809     -72.881     -22.045      58.291      15.287       0.030     -55.876       0.000       0.000       6.964      16.536      -0.023       0.000       0.000       0.000       0.000      13.563     -22.837       0.000
+     32100         320.78      34.477     -18.216      16.261       0.157     340.388     300.000       8.220    0      -35.496      32.391     -70.604     -25.449      71.896      15.153      -0.087     -54.173       0.000       0.000       7.243      16.420       0.201       0.000       0.000       0.000       0.000      13.138     -25.162       0.000
+     32200         321.78      34.991     -18.733      16.258       0.188     345.469     300.000       8.258    0      -35.620      32.718     -71.770     -24.356      80.176      14.866      -0.004     -54.187       0.000       0.000       7.160      16.816       0.002       0.000       0.000       0.000       0.000       9.985     -21.234       0.000
+     32300         322.78      33.560     -17.300      16.260       0.055     331.342     300.000       8.284    0      -35.896      33.607     -73.684     -23.059      51.984      15.005      -0.018     -55.724       0.000       0.000       7.009      16.898      -0.272       0.000       0.000       0.000       0.000      15.365     -21.581       0.000
+     32400         323.78      36.207     -19.945      16.262       0.236     357.476     300.000       8.321    0      -36.076      34.551     -76.146     -24.564      55.292      14.817       0.188     -57.208       0.000       0.000       7.201      17.142      -0.543       0.000       0.000       0.000       0.000      14.737     -20.860       0.000
+     32500         324.78      29.141     -12.876      16.265       0.071     287.711     300.000       8.375    0      -37.505      35.157     -78.165     -19.556      54.291      14.918       0.447     -58.316       0.000       0.000       7.147      17.399      -0.596       0.000       0.000       0.000       0.000      17.531     -15.351       0.000
+     32600         325.78      39.065     -22.805      16.260       0.215     385.686     300.000       8.414    0      -39.424      35.881     -82.175     -23.733      72.647      15.107       0.537     -61.498       0.000       0.000       7.235      18.198      -1.352       0.000       0.000       0.000       0.000      13.087     -10.215       0.000
+     32700         326.78      35.699     -19.436      16.263       0.153     352.455     300.000       8.439    0      -39.221      36.457     -81.350     -25.016      66.796      15.360       0.309     -60.586       0.000       0.000       7.764      18.174      -1.611       0.000       0.000       0.000       0.000      17.040     -13.389       0.000
+     32800         327.78      35.247     -18.985      16.262       0.217     347.995     300.000       8.468    0      -37.954      35.943     -77.350     -23.987      63.826      15.326      -0.006     -57.136       0.000       0.000       8.004      17.707      -1.227       0.000       0.000       0.000       0.000      13.164     -18.162       0.000
+     32900         328.78      37.303     -21.043      16.260       0.196     368.295     300.000       8.506    0      -37.291      35.430     -77.954     -24.799      59.379      15.608       0.095     -57.086       0.000       0.000       6.688      18.238      -1.788       0.000       0.000       0.000       0.000      11.625     -14.404       0.000
+     33000         329.78      30.671     -14.409      16.262       0.167     302.818     300.000       8.535    0      -37.515      35.782     -80.198     -23.950      67.256      16.175       0.282     -58.468       0.000       0.000       5.363      18.932      -2.975       0.000       0.000       0.000       0.000      15.870     -10.098       0.000
+     33100         330.78      34.362     -18.098      16.264       0.201     339.258     300.000       8.564    0      -37.690      35.838     -81.684     -26.360      61.288      16.232       0.739     -59.379       0.000       0.000       4.768      19.304      -3.721       0.000       0.000       0.000       0.000      16.423      -8.283       0.000
+     33200         331.78      33.119     -16.854      16.265       0.168     326.989     300.000       8.587    0      -38.584      36.727     -82.865     -24.996      62.904      15.996       0.758     -60.016       0.000       0.000       5.242      19.466      -4.193       0.000       0.000       0.000       0.000      17.073      -7.502       0.000
+     33300         332.78      37.818     -21.558      16.260       0.267     373.382     300.000       8.609    0      -40.130      36.512     -81.590     -25.340      72.474      15.874       0.664     -58.747       0.000       0.000       5.940      19.334      -5.090       0.000       0.000       0.000       0.000      13.573     -10.072       0.000
+     33400         333.78      30.907     -14.644      16.263       0.127     305.141     300.000       8.620    0      -39.678      37.036     -82.629     -24.217      93.587      15.786       0.444     -60.216       0.000       0.000       6.046      19.401      -4.903       0.000       0.000       0.000       0.000      15.863      -9.142       0.000
+     33500         334.78      29.637     -13.372      16.265       0.090     292.605     300.000       8.651    0      -40.522      36.056     -81.570     -24.910     109.041      15.711       0.369     -59.868       0.000       0.000       5.832      19.159      -4.007       0.000       0.000       0.000       0.000      17.191      -7.989       0.000
+     33600         335.78      38.108     -21.847      16.261       0.233     376.238     300.000       8.643    0      -41.077      36.331     -82.094     -26.723     100.611      15.768       0.619     -59.562       0.000       0.000       5.322      19.423      -4.396       0.000       0.000       0.000       0.000      11.601      -3.637       0.000
+     33700         336.78      39.928     -23.667      16.260       0.156     394.207     300.000       8.617    0      -39.436      37.390     -82.071     -28.068      67.125      15.483       0.706     -58.815       0.000       0.000       5.430      19.305      -5.002       0.000       0.000       0.000       0.000      13.666      -4.874       0.000
+     33800         337.78      37.464     -21.200      16.264       0.145     369.881     300.000       8.582    0      -38.780      37.765     -81.635     -25.580      49.851      15.176       0.308     -58.707       0.000       0.000       5.543      19.218      -5.354       0.000       0.000       0.000       0.000      16.134      -7.268       0.000
+     33900         338.78      30.335     -14.071      16.264       0.210     299.500     300.000       8.550    0      -37.053      37.292     -82.634     -24.219      79.936      15.377      -0.179     -59.765       0.000       0.000       5.134      19.279      -5.850       0.000       0.000       0.000       0.000      16.717      -4.230       0.000
+     34000         339.78      37.018     -20.755      16.263       0.139     365.478     300.000       8.505    0      -39.385      38.386     -85.605     -23.912      71.495      15.552      -0.396     -61.960       0.000       0.000       4.917      19.597      -5.854       0.000       0.000       0.000       0.000      14.371       1.575       0.000
+     34100         340.78      34.335     -18.073      16.262       0.149     338.992     300.000       8.477    0      -38.732      38.528     -85.794     -23.052      78.887      15.682      -0.450     -62.244       0.000       0.000       4.960      19.487      -4.696       0.000       0.000       0.000       0.000      13.152       2.497       0.000
+     34200         341.78      35.206     -18.941      16.265       0.077     347.587     300.000       8.461    0      -38.675      36.091     -81.509     -25.733      88.689      15.904      -0.183     -59.271       0.000       0.000       4.793      19.136      -5.077       0.000       0.000       0.000       0.000      14.467      -8.471       0.000
+     34300         342.78      35.416     -19.153      16.263       0.073     349.663     300.000       8.423    0      -38.281      35.031     -77.559     -24.164      81.190      16.134      -0.075     -57.579       0.000       0.000       5.075      18.540      -5.288       0.000       0.000       0.000       0.000      12.874     -18.234       0.000
+     34400         343.78      37.049     -20.787      16.262       0.171     365.783     300.000       8.385    0      -38.292      34.580     -75.479     -23.439      77.162      16.148       0.001     -56.709       0.000       0.000       5.440      18.045      -5.130       0.000       0.000       0.000       0.000      10.930     -22.300       0.000
+     34500         344.78      33.923     -17.660      16.263       0.074     334.926     300.000       8.348    0      -37.506      34.809     -77.791     -24.364      74.481      15.958       0.130     -58.829       0.000       0.000       5.982      18.230      -4.056       0.000       0.000       0.000       0.000      15.469     -19.861       0.000
+     34600         345.78      34.739     -18.478      16.262       0.125     342.984     300.000       8.307    0      -36.998      36.538     -82.019     -23.551      76.768      15.446       0.604     -61.975       0.000       0.000       6.243      18.358      -3.296       0.000       0.000       0.000       0.000      13.182     -14.457       0.000
+     34700         346.78      37.798     -21.538      16.260       0.132     373.184     300.000       8.265    0      -37.058      37.625     -84.729     -22.414      78.519      14.875       0.939     -64.249       0.000       0.000       6.469      18.388      -3.278       0.000       0.000       0.000       0.000      10.045     -12.104       0.000
+     34800         347.78      40.108     -23.844      16.264       0.178     395.986     300.000       8.208    0      -38.220      38.192     -86.025     -23.780      73.770      14.545       1.046     -65.654       0.000       0.000       6.440      18.416      -3.273       0.000       0.000       0.000       0.000      12.528     -10.523       0.000
+     34900         348.78      42.768     -26.507      16.261       0.131     422.248     300.000       8.144    0      -38.000      39.964     -89.528     -23.147      56.493      14.633       0.952     -68.286       0.000       0.000       5.846      18.706      -3.191       0.000       0.000       0.000       0.000      11.112      -2.784       0.000
+     35000         349.78      42.488     -26.227      16.261       0.110     419.481     300.000       8.088    0      -38.474      40.987     -91.768     -23.436      62.575      14.890       0.954     -69.587       0.000       0.000       5.380      19.214      -3.133       0.000       0.000       0.000       0.000      10.728      -4.173       0.000
+     35100         350.78      34.981     -18.717      16.264       0.192     345.373     300.000       8.064    0      -38.407      42.256     -91.300     -23.055      81.966      14.822       1.145     -68.548       0.000       0.000       5.668      18.933      -3.130       0.000       0.000       0.000       0.000      12.358      -7.159       0.000
+     35200         351.78      37.677     -21.415      16.262       0.129     371.987     300.000       8.056    0      -39.191      43.204     -92.067     -24.638      85.541      14.480       1.126     -68.997       0.000       0.000       7.490      18.340      -2.643       0.000       0.000       0.000       0.000      12.052      -5.257       0.000
+     35300         352.78      43.353     -27.092      16.261       0.146     428.029     300.000       8.035    0      -40.605      43.631     -92.319     -23.304      74.642      14.241       0.742     -69.774       0.000       0.000       9.684      17.878      -2.193       0.000       0.000       0.000       0.000       9.567      -5.120       0.000
+     35400         353.78      45.855     -29.593      16.261       0.082     452.724     300.000       8.015    0      -40.701      41.602     -88.871     -22.151      58.106      14.350       0.125     -68.143       0.000       0.000       9.952      17.646      -1.442       0.000       0.000       0.000       0.000      10.463     -15.886       0.000
+     35500         354.78      43.699     -27.438      16.261       0.113     431.439     300.000       7.990    0      -38.836      40.132     -86.445     -22.601      66.651      14.389      -0.097     -66.705       0.000       0.000       8.823      17.466      -0.383       0.000       0.000       0.000       0.000       9.888     -21.357       0.000
+     35600         355.78      41.874     -25.612      16.262       0.139     413.420     300.000       7.983    0      -39.021      39.561     -84.290     -23.535      60.305      14.411      -0.207     -64.763       0.000       0.000       7.813      17.285       0.130       0.000       0.000       0.000       0.000      13.027     -22.916       0.000
+     35700         356.78      39.663     -23.399      16.264       0.115     391.590     300.000       7.957    0      -38.788      40.113     -84.893     -24.185      65.940      14.654      -0.444     -64.687       0.000       0.000       6.315      17.772      -0.328       0.000       0.000       0.000       0.000      13.722     -21.524       0.000
+     35800         357.78      38.943     -22.680      16.264       0.239     384.487     300.000       7.933    0      -38.629      38.586     -82.136     -23.257      77.846      15.003      -0.841     -62.971       0.000       0.000       5.040      18.123      -0.414       0.000       0.000       0.000       0.000      10.984     -25.276       0.000
+     35900         358.78      37.880     -21.618      16.263       0.081     373.993     300.000       7.906    0      -39.245      37.699     -83.818     -24.115      70.037      15.573      -0.914     -65.085       0.000       0.000       2.953      18.871       0.071       0.000       0.000       0.000       0.000      16.034     -22.207       0.000
+     36000         359.78      44.965     -28.706      16.259       0.155     443.945     300.000       7.850    0      -39.563      39.232     -89.509     -23.905      74.705      16.551      -1.444     -69.634       0.000       0.000       1.226      20.028       1.114       0.000       0.000       0.000       0.000       7.336     -12.130       0.000
+     36100         360.78      31.859     -15.592      16.267       0.071     314.546     300.000       7.798    0      -42.036      42.617     -96.916     -20.023      65.415      17.441      -1.826     -74.970       0.000       0.000      -0.523      21.209       1.361       0.000       0.000       0.000       0.000      18.478       1.596       0.000
+     36200         361.78      36.261     -19.998      16.263       0.154     358.010     300.000       7.741    0      -37.851      45.259    -102.586     -19.870      48.343      17.533      -2.038     -79.454       0.000       0.000      -1.261      21.889       2.271       0.000       0.000       0.000       0.000      10.406       9.465       0.000
+     36300         362.78      39.763     -23.500      16.263       0.164     392.583     300.000       7.705    0      -41.294      46.241    -105.866     -22.461      73.087      16.513      -1.558     -82.134       0.000       0.000      -0.599      21.817       2.461       0.000       0.000       0.000       0.000      12.581      18.245       0.000
+     36400         363.78      37.369     -21.106      16.263       0.141     368.945     300.000       7.671    0      -39.137      46.511    -104.564     -22.973      85.791      16.094      -1.420     -80.580       0.000       0.000       0.377      21.560       1.331       0.000       0.000       0.000       0.000      10.779      13.052       0.000
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+     36600         365.78      37.759     -21.498      16.261       0.090     372.794     300.000       7.628    0      -39.090      44.399     -97.542     -23.995      81.909      15.873      -1.687     -75.249       0.000       0.000       1.275      21.059       2.100       0.000       0.000       0.000       0.000      11.474      -6.730       0.000
+     36700         366.78      41.371     -25.110      16.262       0.102     408.457     300.000       7.590    0      -40.275      45.479    -100.946     -22.878      64.831      16.028      -1.683     -78.308       0.000       0.000       2.153      21.417       2.321       0.000       0.000       0.000       0.000      11.133      -0.932       0.000
+     36800         367.78      41.308     -25.045      16.263       0.084     407.836     300.000       7.571    0      -41.707      46.170    -102.961     -23.373      64.996      16.541      -1.691     -79.963       0.000       0.000       2.163      21.554       1.859       0.000       0.000       0.000       0.000      13.551       1.150       0.000
+     36900         368.78      37.574     -21.311      16.263       0.069     370.965     300.000       7.542    0      -41.932      46.729    -105.693     -22.146      98.488      17.006      -1.782     -81.353       0.000       0.000       2.758      21.801       0.904       0.000       0.000       0.000       0.000      10.950       8.141       0.000
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+     37100         370.78      37.997     -21.735      16.262       0.081     375.147     300.000       7.502    0      -40.992      46.735    -101.232     -20.668      68.305      16.801      -1.423     -77.316       0.000       0.000       4.984      21.147       0.197       0.000       0.000       0.000       0.000       9.709      -1.562       0.000
+     37200         371.78      41.816     -25.558      16.259       0.085     412.855     300.000       7.516    0      -40.647      42.177     -93.026     -24.478      78.021      17.233      -0.991     -71.703       0.000       0.000       3.156      20.568       0.116       0.000       0.000       0.000       0.000       8.180     -12.387       0.000
+     37300         372.78      38.938     -22.676      16.261       0.134     384.432     300.000       7.508    0      -41.437      40.625     -89.378     -24.951      84.352      17.204      -0.542     -68.166       0.000       0.000       2.917      20.123      -0.921       0.000       0.000       0.000       0.000      10.904     -13.153       0.000
+     37400         373.78      41.248     -24.986      16.262       0.173     407.239     300.000       7.489    0      -41.081      41.837     -90.546     -26.649      80.882      16.738      -0.211     -69.118       0.000       0.000       3.887      19.953      -1.939       0.000       0.000       0.000       0.000      11.594     -17.222       0.000
+     37500         374.78      37.766     -21.501      16.265       0.139     372.867     300.000       7.467    0      -41.033      44.301     -95.455     -25.822      75.282      16.549       0.049     -72.594       0.000       0.000       4.484      20.242      -2.264       0.000       0.000       0.000       0.000      14.595      -7.854       0.000
+     37600         375.78      40.513     -24.249      16.264       0.132     399.990     300.000       7.445    0      -41.672      44.072     -97.002     -25.395      65.742      16.750       0.178     -74.125       0.000       0.000       3.124      20.716      -3.032       0.000       0.000       0.000       0.000      15.296      -8.467       0.000
+     37700         376.78      49.030     -32.770      16.260       0.119     484.075     300.000       7.413    0      -41.273      43.793     -99.001     -24.049      58.655      16.655       0.320     -76.180       0.000       0.000       2.371      20.813      -2.744       0.000       0.000       0.000       0.000       8.069      -6.052       0.000
+     37800         377.78      36.406     -20.139      16.266       0.216     359.434     300.000       7.405    0      -39.444      43.437     -98.773     -22.322      72.173      16.405       0.414     -75.805       0.000       0.000       2.299      20.430      -2.364       0.000       0.000       0.000       0.000      14.460      -0.783       0.000
+     37900         378.78      39.314     -23.050      16.264       0.133     388.149     300.000       7.386    0      -40.223      42.655     -95.292     -25.265      86.748      16.391       0.380     -72.699       0.000       0.000       2.433      20.474      -3.791       0.000       0.000       0.000       0.000      12.596      -6.543       0.000
+     38000         379.78      35.637     -19.374      16.263       0.091     351.845     300.000       7.368    0      -40.088      43.511     -94.596     -23.173      90.685      16.252       0.416     -70.905       0.000       0.000       3.457      20.466      -4.984       0.000       0.000       0.000       0.000      11.126      -5.065       0.000
+     38100         380.78      44.202     -27.938      16.264       0.212     436.408     300.000       7.329    0      -40.519      43.986     -93.790     -24.164      46.789      15.894       0.711     -69.404       0.000       0.000       3.809      20.367      -6.028       0.000       0.000       0.000       0.000      10.653      -6.567       0.000
+     38200         381.78      41.833     -25.568      16.265       0.120     413.017     300.000       7.316    0      -40.355      42.549     -90.918     -22.988      41.233      15.648       1.058     -67.253       0.000       0.000       3.796      19.907      -6.398       0.000       0.000       0.000       0.000      12.897      -8.756       0.000
+     38300         382.78      43.342     -27.081      16.262       0.107     427.920     300.000       7.310    0      -40.460      40.225     -86.612     -21.724      68.893      15.586       1.179     -64.094       0.000       0.000       2.928      19.425      -6.831       0.000       0.000       0.000       0.000       6.484     -12.788       0.000
+     38400         383.77      35.600     -19.383      16.217       0.082     351.484     300.000       7.310    0      -38.920      39.428     -85.150     -23.072      86.329      15.204       1.226     -63.210       0.000       0.000       3.443      18.789      -6.517       0.000       0.000       0.000       0.000      12.008     -11.895       0.000
+     38500         384.77      41.051     -24.834      16.217       0.132     405.302     300.000       7.314    0      -42.000      38.954     -84.748     -22.046      74.757      14.739       1.360     -62.432       0.000       0.000       4.338      18.122      -6.246       0.000       0.000       0.000       0.000      12.588      -7.508       0.000
+     38600         385.77      45.327     -29.108      16.219       0.065     447.517     300.000       7.316    0      -43.856      37.090     -79.350     -24.317      67.313      14.762       1.447     -58.817       0.000       0.000       5.392      17.300      -6.805       0.000       0.000       0.000       0.000      14.881     -18.893       0.000
+     38700         386.77      45.406     -29.198      16.208       0.093     448.298     300.000       7.300    0      -41.851      37.859     -78.890     -23.780      78.453      15.205       1.055     -58.153       0.000       0.000       5.207      17.310      -7.078       0.000       0.000       0.000       0.000       7.766     -19.078       0.000
+     38800         387.77      37.569     -21.361      16.209       0.140     370.924     300.000       7.262    0      -40.538      39.197     -80.486     -23.649      94.829      15.713       0.619     -59.773       0.000       0.000       4.893      17.601      -6.475       0.000       0.000       0.000       0.000       9.426     -17.922       0.000
+     38900         388.77      35.213     -19.004      16.209       0.123     347.659     300.000       7.268    0      -39.996      39.149     -81.867     -23.441     109.906      15.628       0.569     -60.633       0.000       0.000       4.637      17.498      -5.565       0.000       0.000       0.000       0.000       8.876     -11.091       0.000
+     39000         389.77      35.366     -19.156      16.210       0.187     349.168     300.000       7.265    0      -38.692      38.814     -83.370     -21.948      85.628      15.122       0.861     -61.046       0.000       0.000       5.325      17.207      -5.172       0.000       0.000       0.000       0.000      10.860      -4.066       0.000
+     39100         390.77      35.159     -18.948      16.211       0.106     347.126     300.000       7.262    0      -38.339      38.595     -80.788     -20.434      56.356      14.737       1.316     -59.270       0.000       0.000       7.101      16.379      -5.130       0.000       0.000       0.000       0.000      13.242     -10.579       0.000
+     39200         391.77      38.703     -22.495      16.209       0.274     382.120     300.000       7.266    0      -39.923      37.575     -76.925     -20.580      67.880      14.726       1.453     -56.169       0.000       0.000       7.918      15.711      -5.271       0.000       0.000       0.000       0.000       9.061     -14.996       0.000
+     39300         392.75      34.033     -17.919      16.114       0.130     336.009     300.000       7.271    0      -39.673      37.101     -75.327     -21.834      62.234      14.682       1.551     -54.855       0.000       0.000       7.349      15.217      -4.395       0.000       0.000       0.000       0.000      15.090     -16.050       0.000
+     39400         393.75      32.721     -16.609      16.112       0.048     323.056     300.000       7.239    0      -38.995      36.489     -74.003     -20.960      75.747      14.560       1.900     -53.825       0.000       0.000       6.234      15.055      -3.784       0.000       0.000       0.000       0.000      11.898     -18.498       0.000
+     39500         394.75      27.535     -11.423      16.112       0.193     271.858     300.000       7.236    0      -37.665      33.838     -69.129     -22.074      99.764      14.454       2.011     -50.763       0.000       0.000       5.437      14.722      -3.778       0.000       0.000       0.000       0.000      13.558     -25.235       0.000
+     39600         395.75      31.384     -15.271      16.113       0.111     309.857     300.000       7.210    0      -39.490      32.602     -65.494     -23.908      93.875      14.391       1.907     -48.527       0.000       0.000       5.273      14.571      -4.285       0.000       0.000       0.000       0.000      14.947     -28.796       0.000
+     39700         396.75      35.193     -19.081      16.112       0.164     347.463     300.000       7.190    0      -39.200      32.643     -64.247     -21.078      63.404      14.376       1.752     -47.986       0.000       0.000       5.852      14.115      -4.098       0.000       0.000       0.000       0.000      12.137     -29.010       0.000
+     39800         397.75      41.309     -25.222      16.088       0.170     407.849     300.000       7.151    0      -39.763      33.399     -67.783     -22.703      68.641      14.429       1.611     -50.429       0.000       0.000       6.566      14.485      -4.048       0.000       0.000       0.000       0.000       8.884     -23.824       0.000
+     39900         398.75      35.532     -19.443      16.089       0.124     350.813     300.000       7.119    0      -40.687      35.372     -72.680     -21.058      86.163      14.208       1.572     -53.896       0.000       0.000       7.084      14.743      -3.501       0.000       0.000       0.000       0.000      11.667     -15.129       0.000
+     40000         399.75      38.488     -22.400      16.088       0.112     379.994     300.000       7.071    0      -40.259      35.334     -71.316     -21.919      81.065      14.081       1.460     -52.999       0.000       0.000       7.709      14.612      -3.188       0.000       0.000       0.000       0.000       9.306     -17.976       0.000
+     40100         400.75      39.587     -23.498      16.089       0.108     390.848     300.000       7.055    0      -41.332      34.023     -67.822     -24.022      90.355      14.328       1.268     -50.702       0.000       0.000       6.710      14.676      -3.496       0.000       0.000       0.000       0.000      10.065     -25.450       0.000
+     40200         401.75      38.340     -22.251      16.090       0.187     378.535     300.000       7.044    0      -41.285      33.416     -64.761     -24.543     107.224      14.359       1.183     -48.705       0.000       0.000       6.188      14.588      -3.950       0.000       0.000       0.000       0.000       8.438     -32.573       0.000
+     40300         402.75      35.592     -19.500      16.091       0.212     351.397     300.000       7.051    0      -40.923      33.976     -63.568     -21.848      79.615      14.373       0.991     -47.338       0.000       0.000       6.435      14.113      -3.997       0.000       0.000       0.000       0.000      10.853     -32.586       0.000
+     40400         403.75      33.096     -17.006      16.091       0.143     326.761     300.000       7.052    0      -42.192      34.946     -63.767     -20.721     105.592      14.237       0.903     -47.753       0.000       0.000       7.242      13.793      -4.058       0.000       0.000       0.000       0.000       9.273     -33.318       0.000
+     40500         404.75      32.097     -16.007      16.090       0.088     316.896     300.000       7.059    0      -40.469      34.536     -62.856     -23.874     109.064      14.118       0.974     -47.643       0.000       0.000       7.787      13.518      -3.390       0.000       0.000       0.000       0.000      11.185     -35.107       0.000
+     40600         405.75      39.118     -23.028      16.090       0.108     386.212     300.000       7.063    0      -41.336      33.948     -63.602     -24.772      99.261      13.799       1.118     -48.117       0.000       0.000       8.251      13.755      -3.305       0.000       0.000       0.000       0.000       9.151     -31.991       0.000
+     40700         406.75      37.670     -21.579      16.091       0.120     371.914     300.000       7.038    0      -37.972      33.294     -63.775     -24.713      92.083      13.461       1.243     -48.706       0.000       0.000       9.172      13.648      -3.131       0.000       0.000       0.000       0.000       9.152     -33.696       0.000
+     40800         407.75      38.715     -22.623      16.092       0.052     382.233     300.000       7.001    0      -39.012      33.783     -64.851     -24.057      84.470      13.344       1.041     -49.708       0.000       0.000      10.135      13.356      -2.854       0.000       0.000       0.000       0.000      11.241     -34.690       0.000
+     40900         408.75      43.283     -27.193      16.090       0.110     427.331     300.000       6.955    0      -41.106      35.405     -67.511     -23.612      87.842      13.427       0.596     -51.697       0.000       0.000      10.604      13.551      -3.257       0.000       0.000       0.000       0.000       8.742     -32.248       0.000
+     41000         409.75      40.644     -24.553      16.091       0.042     401.281     300.000       6.934    0      -41.199      36.628     -71.403     -23.922      93.671      13.898       0.403     -53.848       0.000       0.000      10.556      14.314      -4.294       0.000       0.000       0.000       0.000      10.723     -25.886       0.000
+     41100         410.74      41.849     -25.764      16.085       0.079     413.181     300.000       6.921    0      -43.483      37.644     -73.534     -23.144     108.785      14.561       0.063     -54.507       0.000       0.000       9.994      15.135      -4.847       0.000       0.000       0.000       0.000       7.276     -21.860       0.000
+     41200         411.74      36.857     -20.772      16.086       0.087     363.893     300.000       6.919    0      -41.564      36.836     -71.077     -24.414     112.393      15.152      -0.176     -52.169       0.000       0.000      10.329      15.149      -5.143       0.000       0.000       0.000       0.000       8.847     -25.932       0.000
+     41300         412.74      36.995     -20.909      16.086       0.098     365.255     300.000       6.897    0      -42.577      36.559     -69.438     -24.973     111.846      15.481      -0.141     -51.044       0.000       0.000      10.592      15.079      -5.383       0.000       0.000       0.000       0.000       9.605     -30.227       0.000
+     41400         413.74      39.929     -23.845      16.085       0.063     394.224     300.000       6.854    0      -43.269      37.805     -70.741     -23.438     105.792      15.375      -0.133     -52.157       0.000       0.000      11.148      14.806      -5.552       0.000       0.000       0.000       0.000       6.924     -30.016       0.000
+     41500         414.74      39.563     -23.477      16.086       0.109     390.610     300.000       6.825    0      -42.147      39.661     -74.115     -22.334      77.805      15.141      -0.164     -54.061       0.000       0.000      10.749      14.983      -6.372       0.000       0.000       0.000       0.000       9.566     -24.785       0.000
+     41600         415.74      42.353     -26.270      16.083       0.106     418.152     300.000       6.791    0      -44.374      41.271     -77.710     -20.089      94.567      14.946      -0.146     -57.295       0.000       0.000      10.122      15.282      -6.715       0.000       0.000       0.000       0.000       5.658     -21.073       0.000
+     41700         416.74      34.208     -18.122      16.086       0.141     337.736     300.000       6.761    0      -43.436      42.880     -85.855     -17.369     119.973      15.317      -0.462     -63.318       0.000       0.000       8.888      16.158      -6.694       0.000       0.000       0.000       0.000       7.551      -2.869       0.000
+     41800         417.74      32.717     -16.630      16.087       0.065     323.014     300.000       6.737    0      -43.138      42.532     -88.092     -16.326     116.936      15.857      -0.906     -65.550       0.000       0.000       7.820      16.562      -5.649       0.000       0.000       0.000       0.000       9.467      -2.738       0.000
+     41900         418.74      39.940     -23.856      16.083       0.081     394.326     300.000       6.706    0      -42.815      43.534     -91.045     -16.692      94.406      15.985      -1.003     -67.855       0.000       0.000       7.996      17.044      -4.516       0.000       0.000       0.000       0.000       5.338       0.387       0.000
+     42000         419.74      34.978     -18.890      16.088       0.067     345.337     300.000       6.645    0      -42.483      44.792     -93.909     -17.544      93.378      15.948      -0.459     -70.198       0.000       0.000       9.585      17.455      -4.534       0.000       0.000       0.000       0.000      10.618      -2.209       0.000
+     42100         420.74      39.955     -23.869      16.086       0.156     394.482     300.000       6.591    0      -42.936      48.393    -101.310     -15.509      68.280      15.534      -0.406     -75.411       0.000       0.000      10.442      17.665      -4.980       0.000       0.000       0.000       0.000       8.871      10.814       0.000
+     42200         421.74      40.000     -23.916      16.084       0.101     394.918     300.000       6.528    0      -43.032      50.642    -106.117     -15.054      88.679      15.084      -0.293     -79.141       0.000       0.000       9.124      17.899      -5.769       0.000       0.000       0.000       0.000       6.587      19.993       0.000
+     42300         422.74      34.783     -18.698      16.085       0.158     343.413     300.000       6.493    0      -44.722      49.491    -102.757     -13.395     102.694      14.874      -0.323     -77.219       0.000       0.000       8.343      17.305      -5.527       0.000       0.000       0.000       0.000      11.784       3.964       0.000
+     42400         423.74      36.798     -20.713      16.085       0.060     363.311     300.000       6.435    0      -45.230      51.942    -104.465     -14.695      98.966      14.553      -0.275     -78.438       0.000       0.000       9.263      17.181      -4.462       0.000       0.000       0.000       0.000      10.365       3.414       0.000
+     42500         424.74      37.121     -21.035      16.086       0.124     366.494     300.000       6.386    0      -46.621      54.422    -107.697     -14.389      79.220      14.598      -0.399     -81.127       0.000       0.000      10.574      17.131      -2.195       0.000       0.000       0.000       0.000      11.969      10.519       0.000
+     42600         425.74      42.507     -26.421      16.086       0.074     419.670     300.000       6.354    0      -46.487      54.783    -106.891     -18.150      69.862      14.948      -0.588     -81.440       0.000       0.000       9.939      17.770      -1.415       0.000       0.000       0.000       0.000      10.356       1.216       0.000
+     42700         426.74      38.662     -22.578      16.083       0.135     381.707     300.000       6.349    0      -44.959      57.003    -112.124     -21.410      90.104      15.147      -1.026     -84.883       0.000       0.000       8.814      18.667      -0.114       0.000       0.000       0.000       0.000       9.489      26.240       0.000
+     42800         427.74      42.943     -26.858      16.085       0.103     423.973     300.000       6.346    0      -46.232      57.911    -112.728     -22.833      82.242      15.198      -0.945     -85.501       0.000       0.000       8.764      18.610       0.183       0.000       0.000       0.000       0.000       8.455      28.923       0.000
+     42900         428.74      36.150     -20.063      16.087       0.082     356.909     300.000       6.367    0      -44.916      52.994    -101.281     -22.326     102.272      15.128      -0.620     -77.749       0.000       0.000       9.068      17.503      -0.337       0.000       0.000       0.000       0.000      11.439      -3.558       0.000
+     43000         429.74      34.160     -18.074      16.087       0.067     337.267     300.000       6.420    0      -45.288      47.725     -89.148     -22.978     122.664      14.976      -0.303     -68.514       0.000       0.000       9.290      16.354      -0.865       0.000       0.000       0.000       0.000      11.273     -22.067       0.000
+     43100         430.74      39.421     -23.334      16.086       0.215     389.203     300.000       6.484    0      -42.659      45.143     -81.744     -25.793      86.913      14.648      -0.055     -62.745       0.000       0.000       9.752      15.628      -1.841       0.000       0.000       0.000       0.000      10.674     -29.085       0.000
+     43200         431.74      38.295     -22.207      16.088       0.097     378.090     300.000       6.580    0      -41.358      40.743     -73.661     -24.844      59.128      14.730       0.158     -55.896       0.000       0.000       9.584      15.040      -2.004       0.000       0.000       0.000       0.000      12.703     -31.762       0.000
+     43300         432.74      39.127     -23.039      16.089       0.045     386.306     300.000       6.653    0      -40.304      36.807     -65.706     -21.704      40.059      14.827       0.143     -49.355       0.000       0.000       9.073      14.299      -2.318       0.000       0.000       0.000       0.000       9.677     -36.685       0.000
+     43400         433.74      42.498     -26.410      16.087       0.069     419.580     300.000       6.730    0      -40.255      32.423     -59.159     -24.877      44.342      14.913       0.121     -44.574       0.000       0.000       8.649      13.734      -2.161       0.000       0.000       0.000       0.000      10.609     -40.389       0.000
+     43500         434.74      37.219     -21.132      16.086       0.165     367.460     300.000       6.769    0      -39.341      31.658     -58.100     -21.420      42.212      14.521       0.633     -43.404       0.000       0.000       8.123      13.481      -2.213       0.000       0.000       0.000       0.000      11.231     -37.697       0.000
+     43600         435.74      35.797     -19.709      16.088       0.067     353.424     300.000       6.797    0      -39.140      30.673     -56.325     -20.821      34.877      14.664       0.798     -41.899       0.000       0.000       7.809      13.080      -2.277       0.000       0.000       0.000       0.000      12.709     -37.127       0.000
+     43700         436.74      37.341     -21.254      16.087       0.085     368.674     300.000       6.831    0      -38.407      29.834     -54.923     -23.161      48.500      15.163       0.589     -40.499       0.000       0.000       7.210      13.102      -2.812       0.000       0.000       0.000       0.000      10.041     -36.566       0.000
+     43800         437.74      32.024     -15.936      16.087       0.167     316.169     300.000       6.861    0      -39.929      30.330     -54.909     -20.049      56.611      14.950       0.736     -40.604       0.000       0.000       7.532      12.925      -2.779       0.000       0.000       0.000       0.000      12.054     -35.132       0.000
+     43900         438.74      28.535     -12.446      16.089       0.167     281.731     300.000       6.885    0      -38.496      29.395     -53.760     -21.586      81.396      14.145       1.428     -39.848       0.000       0.000       7.895      12.441      -2.296       0.000       0.000       0.000       0.000      12.534     -34.370       0.000
+     44000         439.74      41.127     -25.042      16.085       0.181     406.045     300.000       6.899    0      -39.989      29.552     -53.253     -21.531      42.847      14.000       1.620     -39.905       0.000       0.000       8.634      11.984      -2.366       0.000       0.000       0.000       0.000       8.192     -33.775       0.000
+     44100         440.74      37.291     -21.204      16.087       0.121     368.174     300.000       6.884    0      -40.813      30.475     -54.478     -19.654      45.042      13.993       1.135     -40.524       0.000       0.000       9.134      11.799      -2.970       0.000       0.000       0.000       0.000      11.269     -29.703       0.000
+     44200         441.74      30.144     -14.053      16.091       0.141     297.611     300.000       6.876    0      -40.168      30.725     -55.337     -20.206      64.169      13.888       0.874     -40.566       0.000       0.000       9.536      11.750      -2.780       0.000       0.000       0.000       0.000      15.633     -28.163       0.000
+     44300         442.74      33.884     -17.797      16.087       0.095     334.542     300.000       6.859    0      -40.446      31.524     -57.261     -19.970      62.728      13.564       1.050     -41.962       0.000       0.000       9.863      11.838      -2.305       0.000       0.000       0.000       0.000      12.487     -25.536       0.000
+     44400         443.74      38.340     -22.253      16.088       0.136     378.534     300.000       6.858    0      -40.004      30.236     -55.408     -23.237      57.140      13.562       0.995     -41.060       0.000       0.000      10.282      11.635      -1.795       0.000       0.000       0.000       0.000      13.036     -30.887       0.000
+     44500         444.74      41.309     -25.221      16.088       0.133     407.840     300.000       6.840    0      -41.358      31.626     -57.678     -21.865      60.221      13.641       0.559     -43.122       0.000       0.000      11.076      11.828      -1.379       0.000       0.000       0.000       0.000       9.841     -30.086       0.000
+     44600         445.74      43.057     -26.971      16.086       0.286     425.102     300.000       6.818    0      -43.138      32.720     -61.536     -21.691      55.207      13.920       0.420     -45.639       0.000       0.000      11.291      12.485      -1.312       0.000       0.000       0.000       0.000      11.162     -25.444       0.000
+     44700         446.74      34.234     -18.146      16.088       0.135     337.996     300.000       6.808    0      -41.281      33.191     -63.964     -22.775      72.562      14.290       0.601     -46.982       0.000       0.000      11.200      13.083      -1.878       0.000       0.000       0.000       0.000      15.549     -23.146       0.000
+     44800         447.74      35.916     -19.829      16.087       0.151     354.603     300.000       6.805    0      -41.378      34.837     -66.705     -21.684      78.492      14.545       0.470     -48.243       0.000       0.000      12.374      13.589      -2.436       0.000       0.000       0.000       0.000      10.288     -19.567       0.000
+     44900         448.74      36.918     -20.830      16.088       0.138     364.492     300.000       6.806    0      -43.409      35.438     -65.881     -21.217      61.756      14.970       0.315     -46.405       0.000       0.000      12.930      14.012      -3.024       0.000       0.000       0.000       0.000      10.783     -18.736       0.000
+     45000         449.74      32.818     -16.731      16.087       0.119     324.016     300.000       6.811    0      -41.553      34.874     -63.986     -22.295      61.735      15.173       0.166     -44.208       0.000       0.000      12.971      14.026      -3.044       0.000       0.000       0.000       0.000      12.568     -23.580       0.000
+     45100         450.74      32.899     -16.810      16.090       0.265     324.816     300.000       6.803    0      -41.642      34.694     -64.248     -23.127      68.102      15.031       0.295     -44.221       0.000       0.000      13.296      14.143      -2.709       0.000       0.000       0.000       0.000      12.720     -24.585       0.000
+     45200         451.74      33.326     -17.237      16.090       0.069     329.033     300.000       6.803    0      -42.243      34.805     -65.528     -21.602      52.805      14.746       0.747     -45.268       0.000       0.000      13.006      14.255      -2.688       0.000       0.000       0.000       0.000      14.497     -22.394       0.000
+     45300         452.74      33.380     -17.294      16.086       0.147     329.561     300.000       6.820    0      -41.807      33.696     -63.575     -21.152      62.503      14.934       0.732     -43.791       0.000       0.000      12.279      14.121      -3.014       0.000       0.000       0.000       0.000      11.922     -24.279       0.000
+     45400         453.74      32.059     -15.973      16.086       0.155     316.516     300.000       6.831    0      -41.720      34.750     -65.061     -22.768      79.993      14.839       0.958     -43.768       0.000       0.000      11.915      14.212      -3.768       0.000       0.000       0.000       0.000      11.251     -20.062       0.000
+     45500         454.74      25.252      -9.162      16.090       0.137     249.315     300.000       6.832    0      -40.072      35.362     -67.455     -22.331      76.381      14.871       1.055     -44.974       0.000       0.000      11.784      14.726      -4.584       0.000       0.000       0.000       0.000      16.318     -17.086       0.000
+     45600         455.74      33.326     -17.239      16.087       0.091     329.031     300.000       6.863    0      -40.679      35.121     -68.167     -23.335      69.033      15.125       0.834     -45.657       0.000       0.000      11.270      15.100      -4.838       0.000       0.000       0.000       0.000      12.004     -16.677       0.000
+     45700         456.74      36.871     -20.784      16.087       0.089     364.028     300.000       6.899    0      -41.400      34.811     -69.414     -24.153      59.289      15.642       0.511     -47.602       0.000       0.000      10.280      15.555      -5.004       0.000       0.000       0.000       0.000      12.853     -14.060       0.000
+     45800         457.74      43.392     -27.308      16.085       0.125     428.414     300.000       6.926    0      -40.560      33.737     -69.596     -23.911      45.426      15.647       0.607     -48.530       0.000       0.000       9.915      15.673      -5.060       0.000       0.000       0.000       0.000       9.198     -14.525       0.000
+     45900         458.74      32.363     -16.276      16.087       0.151     319.525     300.000       6.947    0      -40.065      34.115     -71.524     -23.421      82.715      15.461       0.647     -50.066       0.000       0.000       9.783      16.105      -5.034       0.000       0.000       0.000       0.000      13.593     -11.302       0.000
+     46000         459.74      32.087     -16.002      16.084       0.166     316.792     300.000       6.953    0      -40.636      36.094     -74.924     -21.773      80.643      15.631       0.457     -53.165       0.000       0.000       9.411      16.539      -4.946       0.000       0.000       0.000       0.000      12.271      -5.451       0.000
+     46100         460.74      33.539     -17.451      16.089       0.187     331.136     300.000       6.950    0      -39.837      35.319     -74.710     -22.239      68.288      15.882       0.403     -53.313       0.000       0.000       9.059      16.660      -4.789       0.000       0.000       0.000       0.000      13.211      -9.408       0.000
+     46200         461.74      38.213     -22.128      16.085       0.118     377.278     300.000       6.930    0      -39.978      35.585     -76.042     -21.353      55.444      15.905       0.360     -54.146       0.000       0.000       8.656      16.509      -5.246       0.000       0.000       0.000       0.000      10.831      -4.992       0.000
+     46300         462.74      36.411     -20.323      16.088       0.152     359.489     300.000       6.915    0      -40.879      35.858     -75.050     -20.722      62.022      15.717       0.483     -53.448       0.000       0.000       8.419      16.085      -6.307       0.000       0.000       0.000       0.000      12.944     -11.012       0.000
+     46400         463.74      34.828     -18.739      16.089       0.219     343.857     300.000       6.916    0      -40.431      36.702     -76.109     -20.835      55.310      15.306       0.813     -52.964       0.000       0.000       8.527      16.298      -7.257       0.000       0.000       0.000       0.000      15.008     -11.976       0.000
+     46500         464.69      34.470     -18.438      16.032       0.215     340.328     300.000       6.912    0      -40.374      40.301     -82.596     -20.800      63.784      14.918       1.134     -55.586       0.000       0.000       9.114      17.030      -8.220       0.000       0.000       0.000       0.000      11.492       4.974       0.000
+     46600         465.69      35.233     -19.201      16.033       0.172     347.858     300.000       6.930    0      -39.412      39.546     -81.447     -20.628      73.200      14.753       0.725     -56.255       0.000       0.000       9.977      16.545      -8.172       0.000       0.000       0.000       0.000      10.826      -2.390       0.000
+     46700         466.69      36.476     -20.444      16.032       0.131     360.131     300.000       6.933    0      -40.584      38.196     -79.583     -17.928      80.597      14.754       0.273     -57.469       0.000       0.000       8.952      15.990      -7.599       0.000       0.000       0.000       0.000      10.718     -11.707       0.000
+     46800         467.69      43.506     -27.475      16.031       0.207     429.532     300.000       6.952    0      -42.290      37.652     -79.548     -18.986      63.103      14.825       0.393     -58.665       0.000       0.000       8.041      15.777      -6.426       0.000       0.000       0.000       0.000      10.968     -13.226       0.000
+     46900         468.69      38.134     -22.097      16.036       0.133     376.494     300.000       6.958    0      -40.587      37.849     -79.039     -20.042      52.288      15.208       0.863     -58.317       0.000       0.000       7.673      15.997      -5.681       0.000       0.000       0.000       0.000      14.305     -17.030       0.000
+     47000         469.69      42.609     -26.577      16.032       0.121     420.679     300.000       6.961    0      -41.379      38.599     -77.885     -21.130      42.595      15.324       1.386     -57.710       0.000       0.000       8.505      15.720      -5.103       0.000       0.000       0.000       0.000      10.469     -18.269       0.000
+     47100         470.69      35.658     -19.621      16.037       0.130     352.051     300.000       6.962    0      -41.430      37.589     -74.717     -22.106      63.834      15.277       1.671     -55.611       0.000       0.000       9.111      15.537      -4.637       0.000       0.000       0.000       0.000      13.736     -23.472       0.000
+     47200         471.69      31.895     -15.860      16.035       0.231     314.897     300.000       6.981    0      -38.962      35.175     -71.461     -23.075      79.096      14.903       2.079     -53.131       0.000       0.000       8.526      15.660      -4.052       0.000       0.000       0.000       0.000      13.137     -26.128       0.000
+     47300         472.69      35.195     -19.161      16.034       0.145     347.483     300.000       7.004    0      -40.881      34.502     -69.796     -21.934      67.596      14.829       2.377     -51.745       0.000       0.000       7.988      15.452      -3.056       0.000       0.000       0.000       0.000      11.811     -26.703       0.000
+     47400         473.69      39.093     -23.060      16.034       0.159     385.971     300.000       7.011    0      -40.504      34.785     -68.649     -20.791      36.690      14.990       2.174     -50.712       0.000       0.000       7.702      15.145      -1.908       0.000       0.000       0.000       0.000       9.636     -30.409       0.000
+     47500         474.69      39.460     -23.429      16.032       0.087     389.594     300.000       6.996    0      -41.735      35.669     -70.315     -19.043      51.864      15.056       2.110     -52.081       0.000       0.000       6.384      15.357      -1.663       0.000       0.000       0.000       0.000       6.496     -30.333       0.000
+     47600         475.69      37.776     -21.743      16.033       0.117     372.963     300.000       6.972    0      -42.694      35.354     -73.043     -21.710      80.809      15.521       1.990     -54.339       0.000       0.000       4.760      16.304      -2.403       0.000       0.000       0.000       0.000       9.183     -26.220       0.000
+     47700         476.69      32.789     -16.754      16.035       0.116     323.725     300.000       6.958    0      -42.263      36.585     -75.250     -17.964      61.902      15.628       1.706     -55.946       0.000       0.000       5.146      16.560      -1.979       0.000       0.000       0.000       0.000      11.638     -21.620       0.000
+     47800         477.69      44.732     -28.699      16.033       0.161     441.640     300.000       6.958    0      -43.598      36.925     -75.923     -22.751      52.008      15.273       1.903     -57.209       0.000       0.000       6.233      16.326      -1.683       0.000       0.000       0.000       0.000      10.028     -26.607       0.000
+     47900         478.69      41.515     -25.482      16.033       0.177     409.882     300.000       6.942    0      -41.391      36.527     -74.311     -23.297      56.835      15.389       1.880     -56.546       0.000       0.000       6.679      16.167      -1.716       0.000       0.000       0.000       0.000       9.923     -31.925       0.000
+     48000         479.69      36.022     -19.986      16.036       0.147     355.643     300.000       6.936    0      -40.162      36.789     -75.248     -24.437      59.361      15.930       1.330     -56.761       0.000       0.000       6.389      16.685      -1.683       0.000       0.000       0.000       0.000      13.766     -30.507       0.000
+     48100         480.69      32.308     -16.275      16.034       0.184     318.982     300.000       6.936    0      -40.722      36.429     -75.476     -24.454      91.333      15.964       1.236     -57.186       0.000       0.000       5.682      17.082      -1.971       0.000       0.000       0.000       0.000      13.565     -29.384       0.000
+     48200         481.69      37.789     -21.755      16.034       0.119     373.089     300.000       6.929    0      -41.415      35.505     -74.595     -24.189      96.463      15.856       0.981     -57.476       0.000       0.000       5.793      17.147      -1.672       0.000       0.000       0.000       0.000       9.457     -32.163       0.000
+     48300         482.69      43.017     -26.984      16.033       0.128     424.704     300.000       6.897    0      -43.779      37.111     -78.077     -21.927      74.325      15.813       0.723     -60.302       0.000       0.000       5.721      17.531      -2.438       0.000       0.000       0.000       0.000       9.661     -29.561       0.000
+     48400         483.69      39.837     -23.803      16.034       0.140     393.311     300.000       6.871    0      -43.658      39.801     -83.520     -19.748      68.510      15.871       0.317     -63.587       0.000       0.000       5.187      18.125      -3.333       0.000       0.000       0.000       0.000      11.535     -22.335       0.000
+     48500         484.69      39.446     -23.412      16.034       0.125     389.456     300.000       6.862    0      -44.475      42.300     -90.140     -19.543      77.530      15.931       0.172     -67.721       0.000       0.000       4.429      18.870      -3.629       0.000       0.000       0.000       0.000      11.709     -10.741       0.000
+     48600         485.69      39.577     -23.545      16.032       0.164     390.745     300.000       6.835    0      -44.090      46.008     -98.212     -24.536      96.699      16.014      -0.097     -74.453       0.000       0.000       4.241      19.680      -2.068       0.000       0.000       0.000       0.000      12.679       3.207       0.000
+     48700         486.69      37.246     -21.209      16.037       0.124     367.732     300.000       6.836    0      -42.868      47.511     -98.482     -24.611      75.179      16.210      -0.387     -75.209       0.000       0.000       4.416      19.684      -0.836       0.000       0.000       0.000       0.000      14.381       2.370       0.000
+     48800         487.69      44.222     -28.191      16.032       0.204     436.609     300.000       6.836    0      -44.222      47.496     -98.142     -24.891      63.783      16.306      -0.498     -74.996       0.000       0.000       4.689      19.720      -1.686       0.000       0.000       0.000       0.000      11.980      -1.561       0.000
+     48900         488.69      39.496     -23.461      16.035       0.163     389.943     300.000       6.844    0      -44.640      46.538     -97.079     -21.893      75.784      16.289      -0.466     -73.983       0.000       0.000       5.139      19.447      -2.515       0.000       0.000       0.000       0.000      13.849      -7.588       0.000
+     49000         489.68      34.724     -18.692      16.032       0.181     342.829     300.000       6.867    0      -44.811      48.296    -100.599     -19.647      86.042      16.209      -0.417     -76.432       0.000       0.000       6.065      19.641      -2.461       0.000       0.000       0.000       0.000      14.127      -0.254       0.000
+     49100         490.68      38.001     -21.971      16.030       0.176     375.189     300.000       6.903    0      -45.468      49.862    -102.945     -23.086      73.620      16.141      -0.627     -78.478       0.000       0.000       7.198      19.665      -1.299       0.000       0.000       0.000       0.000      16.105       9.433       0.000
+     49200         491.68      37.067     -21.033      16.034       0.051     365.960     300.000       6.930    0      -43.443      47.568     -99.819     -24.962      68.405      16.230      -0.597     -76.060       0.000       0.000       7.236      19.512      -1.131       0.000       0.000       0.000       0.000      17.946       6.282       0.000
+     49300         492.68      45.418     -29.392      16.027       0.192     448.418     300.000       6.957    0      -41.440      44.751     -94.121     -24.767      70.379      16.139      -0.522     -72.251       0.000       0.000       6.964      19.084      -1.698       0.000       0.000       0.000       0.000       8.016      -8.681       0.000
+     49400         493.68      36.835     -20.804      16.030       0.092     363.669     300.000       6.961    0      -41.172      44.239     -92.378     -23.020      73.556      15.836      -0.702     -70.668       0.000       0.000       7.955      18.718      -1.785       0.000       0.000       0.000       0.000      14.477     -12.640       0.000
+     49500         494.68      38.137     -22.108      16.030       0.081     376.531     300.000       6.967    0      -42.449      43.341     -90.234     -24.368     104.908      15.721      -1.012     -68.907       0.000       0.000       9.148      18.531      -1.995       0.000       0.000       0.000       0.000      11.832     -15.903       0.000
+     49600         495.68      34.624     -18.595      16.029       0.102     341.847     300.000       7.003    0      -42.943      40.526     -83.749     -22.923     106.154      15.688      -1.086     -63.974       0.000       0.000       8.851      18.087      -1.645       0.000       0.000       0.000       0.000      13.644     -24.733       0.000
+     49700         496.68      37.853     -21.823      16.030       0.087     373.720     300.000       7.021    0      -43.385      40.413     -82.837     -23.266     107.934      15.423      -1.196     -63.138       0.000       0.000       7.779      18.052      -0.363       0.000       0.000       0.000       0.000      10.645     -27.208       0.000
+     49800         497.68      42.159     -26.128      16.031       0.072     416.238     300.000       7.020    0      -45.249      41.023     -85.159     -24.179      99.286      15.038      -1.231     -65.017       0.000       0.000       6.977      18.547       0.396       0.000       0.000       0.000       0.000      12.401     -27.104       0.000
+     49900         498.68      41.755     -25.724      16.031       0.138     412.250     300.000       7.030    0      -42.893      42.061     -89.337     -23.276      79.408      14.767      -1.007     -68.373       0.000       0.000       6.102      18.999       0.278       0.000       0.000       0.000       0.000      13.392     -19.657       0.000
+     50000         499.68      47.384     -31.354      16.030       0.242     467.821     300.000       7.047    0      -42.722      43.533     -94.737     -23.470      60.834      14.660      -0.782     -71.862       0.000       0.000       5.694      19.527       0.286       0.000       0.000       0.000       0.000      10.916      -2.972       0.000
+     50100         500.68      38.760     -22.730      16.029       0.257     382.676     300.000       7.048    0      -42.877      46.296     -98.680     -20.971      75.722      14.437      -0.843     -74.639       0.000       0.000       7.244      19.735       0.023       0.000       0.000       0.000       0.000      13.419       3.970       0.000
+     50200         501.68      44.925     -28.902      16.024       0.107     443.550     300.000       7.051    0      -42.394      47.818    -102.200     -20.323      60.924      14.837      -0.750     -75.579       0.000       0.000       6.940      20.176      -1.432       0.000       0.000       0.000       0.000       6.197      20.584       0.000
+     50300         502.66      47.075     -31.072      16.003       0.204     464.769     300.000       7.087    0      -42.856      41.688     -90.447     -21.540      64.203      15.039      -0.603     -67.556       0.000       0.000       5.519      19.098      -1.278       0.000       0.000       0.000       0.000       7.835      -6.695       0.000
+     50400         503.66      48.243     -32.239      16.004       0.319     476.304     300.000       7.110    0      -42.357      38.851     -81.782     -25.380      57.639      14.862      -0.292     -61.402       0.000       0.000       5.094      17.947      -0.422       0.000       0.000       0.000       0.000      10.183     -22.187       0.000
+     50500         504.66      39.353     -23.349      16.004       0.087     388.536     300.000       7.121    0      -41.981      38.554     -77.842     -23.860      85.107      14.698      -0.249     -58.122       0.000       0.000       5.281      17.329      -0.042       0.000       0.000       0.000       0.000       9.991     -25.317       0.000
+     50600         505.66      38.320     -22.317      16.003       0.104     378.335     300.000       7.141    0      -41.481      37.010     -75.042     -22.674      85.702      14.493      -0.349     -55.810       0.000       0.000       6.008      16.852      -0.963       0.000       0.000       0.000       0.000      10.524     -27.927       0.000
+     50700         506.66      45.324     -29.320      16.003       0.193     447.481     300.000       7.155    0      -41.570      35.430     -72.578     -23.664      55.756      14.577      -0.047     -53.878       0.000       0.000       6.177      16.948      -2.614       0.000       0.000       0.000       0.000       9.957     -29.087       0.000
+     50800         507.65      43.288     -27.301      15.987       0.221     427.387     300.000       7.165    0      -41.178      35.156     -71.712     -23.298      56.623      14.942       0.322     -53.311       0.000       0.000       6.271      17.293      -4.131       0.000       0.000       0.000       0.000       9.627     -29.623       0.000
+     50900         508.65      37.216     -21.227      15.990       0.100     367.439     300.000       7.175    0      -39.111      36.123     -72.775     -26.233      77.937      15.154       0.549     -53.880       0.000       0.000       6.101      17.554      -4.594       0.000       0.000       0.000       0.000      11.226     -28.420       0.000
+     51000         509.65      39.602     -23.613      15.989       0.087     390.994     300.000       7.180    0      -40.297      36.298     -73.923     -23.137      55.226      15.144       0.669     -54.795       0.000       0.000       6.542      17.370      -4.018       0.000       0.000       0.000       0.000      10.987     -26.244       0.000
+     51100         510.65      39.659     -23.670      15.989       0.090     391.552     300.000       7.193    0      -41.699      36.061     -73.481     -22.873      63.082      14.776       0.996     -54.639       0.000       0.000       7.398      16.842      -4.080       0.000       0.000       0.000       0.000      12.292     -26.568       0.000
+     51200         511.65      43.868     -27.880      15.988       0.115     433.106     300.000       7.234    0      -41.982      35.350     -71.876     -22.059      64.802      14.254       1.237     -53.080       0.000       0.000       8.954      16.143      -4.760       0.000       0.000       0.000       0.000       8.467     -25.304       0.000
+     51300         512.65      34.137     -18.147      15.990       0.142     337.034     300.000       7.253    0      -41.432      35.773     -71.877     -21.027      84.420      14.054       1.422     -52.276       0.000       0.000       9.773      15.974      -5.835       0.000       0.000       0.000       0.000      12.892     -23.940       0.000
+     51400         513.65      36.083     -20.093      15.989       0.150     356.244     300.000       7.266    0      -43.901      37.131     -74.066     -19.717      90.384      14.338       1.516     -52.754       0.000       0.000      10.117      16.161      -6.927       0.000       0.000       0.000       0.000      10.714     -20.784       0.000
+     51500         514.65      38.083     -22.095      15.988       0.099     375.994     300.000       7.270    0      -43.061      37.842     -76.164     -20.156      71.264      14.926       1.445     -53.271       0.000       0.000       9.844      16.658      -7.793       0.000       0.000       0.000       0.000       9.894     -15.477       0.000
+     51600         515.65      36.996     -21.007      15.989       0.126     365.263     300.000       7.277    0      -41.637      37.997     -77.739     -20.835      59.037      15.398       1.393     -53.859       0.000       0.000       8.641      17.202      -8.382       0.000       0.000       0.000       0.000      11.371     -12.073       0.000
+     51700         516.65      35.713     -19.723      15.990       0.125     352.596     300.000       7.289    0      -40.949      37.504     -78.002     -21.630      67.370      15.389       0.894     -55.121       0.000       0.000       8.024      17.353      -7.849       0.000       0.000       0.000       0.000      13.260     -13.635       0.000
+     51800         517.65      36.737     -20.748      15.989       0.120     362.706     300.000       7.303    0      -40.589      36.899     -78.858     -21.173      71.678      15.213       0.445     -57.194       0.000       0.000       7.130      17.230      -6.356       0.000       0.000       0.000       0.000      13.143     -11.302       0.000
+     51900         518.65      35.672     -19.682      15.989       0.134     352.186     300.000       7.317    0      -41.105      37.466     -81.295     -19.718      71.914      15.082       0.147     -59.114       0.000       0.000       6.294      17.389      -4.939       0.000       0.000       0.000       0.000      13.793      -4.808       0.000
+     52000         519.65      41.037     -25.048      15.989       0.096     405.157     300.000       7.314    0      -41.965      37.711     -80.585     -19.949      69.201      15.381      -0.002     -58.756       0.000       0.000       6.201      17.281      -3.772       0.000       0.000       0.000       0.000       8.647      -7.806       0.000
+     52100         520.65      34.915     -18.928      15.988       0.166     344.721     300.000       7.303    0      -42.028      37.844     -78.693     -20.346      85.097      15.913      -0.085     -57.615       0.000       0.000       6.701      17.129      -3.221       0.000       0.000       0.000       0.000      10.307     -14.442       0.000
+     52200         521.65      32.972     -16.982      15.990       0.149     325.535     300.000       7.290    0      -40.773      37.417     -76.822     -22.241      68.183      16.596      -0.003     -55.937       0.000       0.000       6.801      17.316      -2.574       0.000       0.000       0.000       0.000      12.381     -19.217       0.000
+     52300         522.65      36.172     -20.184      15.988       0.147     357.128     300.000       7.267    0      -41.469      36.739     -77.003     -22.760      62.525      17.275       0.025     -56.158       0.000       0.000       5.665      17.992      -2.081       0.000       0.000       0.000       0.000      10.213     -18.804       0.000
+     52400         523.65      34.808     -18.818      15.989       0.157     343.657     300.000       7.253    0      -42.716      38.153     -80.794     -24.583      89.180      17.108       0.047     -59.477       0.000       0.000       4.861      18.301      -1.932       0.000       0.000       0.000       0.000      12.268     -15.018       0.000
+     52500         524.65      36.971     -20.983      15.988       0.124     365.020     300.000       7.222    0      -41.379      40.670     -86.050     -22.834      67.018      16.207       0.209     -63.439       0.000       0.000       5.386      18.145      -1.342       0.000       0.000       0.000       0.000      11.764      -7.011       0.000
+     52600         525.65      35.745     -19.756      15.989       0.100     352.913     300.000       7.211    0      -41.306      41.538     -88.265     -20.366      51.169      16.140       0.493     -64.289       0.000       0.000       6.042      18.106      -0.347       0.000       0.000       0.000       0.000      11.758      -2.981       0.000
+     52700         526.65      38.721     -22.733      15.988       0.135     382.295     300.000       7.224    0      -41.448      40.755     -86.437     -20.819      64.676      15.556       0.641     -62.451       0.000       0.000       6.431      17.469      -0.172       0.000       0.000       0.000       0.000       8.748      -7.214       0.000
+     52800         527.65      37.573     -21.583      15.990       0.117     370.957     300.000       7.224    0      -43.094      39.738     -82.827     -20.632      72.714      15.348       0.462     -59.234       0.000       0.000       5.629      16.945      -1.107       0.000       0.000       0.000       0.000      11.168     -12.294       0.000
+     52900         528.65      29.591     -13.599      15.992       0.103     292.154     300.000       7.238    0      -43.197      38.113     -78.197     -18.151      77.092      15.765       0.308     -55.594       0.000       0.000       4.922      16.481      -2.154       0.000       0.000       0.000       0.000      14.889     -15.955       0.000
+     53000         529.65      34.140     -18.150      15.990       0.170     337.063     300.000       7.229    0      -44.616      38.669     -74.676     -19.822      63.948      15.931       0.291     -53.529       0.000       0.000       6.513      15.977      -3.377       0.000       0.000       0.000       0.000      14.048     -24.211       0.000
+     53100         530.65      32.893     -16.904      15.989       0.074     324.750     300.000       7.242    0      -43.244      39.757     -72.481     -17.872      63.200      15.286       0.607     -51.487       0.000       0.000       9.045      15.380      -4.481       0.000       0.000       0.000       0.000       9.594     -26.994       0.000
+     53200         531.65      29.614     -13.622      15.992       0.098     292.385     300.000       7.273    0      -43.187      37.242     -68.562     -19.537      78.707      14.910       0.875     -48.348       0.000       0.000       9.111      14.903      -3.954       0.000       0.000       0.000       0.000      12.859     -27.510       0.000
+     53300         532.65      34.902     -18.913      15.989       0.121     344.589     300.000       7.317    0      -43.337      34.161     -64.732     -21.891      91.737      14.973       0.701     -46.089       0.000       0.000       7.589      14.617      -3.167       0.000       0.000       0.000       0.000      10.109     -29.454       0.000
+     53400         533.65      35.973     -19.985      15.988       0.142     355.167     300.000       7.347    0      -42.708      33.245     -64.522     -21.015      77.371      14.877       0.563     -46.172       0.000       0.000       7.071      14.673      -2.927       0.000       0.000       0.000       0.000      10.689     -25.784       0.000
+     53500         534.65      32.322     -16.331      15.991       0.129     319.112     300.000       7.356    0      -41.593      33.972     -67.082     -21.873      74.499      14.740       0.641     -48.400       0.000       0.000       7.505      14.826      -2.533       0.000       0.000       0.000       0.000      14.952     -21.257       0.000
+     53600         535.65      37.875     -21.885      15.990       0.123     373.942     300.000       7.379    0      -42.879      32.969     -66.215     -21.453      51.926      14.984       0.698     -47.896       0.000       0.000       6.939      14.975      -2.737       0.000       0.000       0.000       0.000      14.439     -20.820       0.000
+     53700         536.65      36.392     -20.405      15.987       0.090     359.301     300.000       7.371    0      -40.508      32.341     -64.398     -22.503      61.060      15.168       0.970     -47.081       0.000       0.000       6.997      14.997      -3.102       0.000       0.000       0.000       0.000      11.761     -25.945       0.000
+     53800         537.65      35.555     -19.565      15.990       0.184     351.035     300.000       7.378    0      -40.588      31.952     -61.901     -22.768      70.160      15.006       1.033     -45.442       0.000       0.000       8.160      14.402      -3.017       0.000       0.000       0.000       0.000      11.105     -29.975       0.000
+     53900         538.65      33.999     -18.008      15.991       0.138     335.678     300.000       7.400    0      -40.629      31.226     -59.576     -23.074      62.703      14.755       1.023     -43.797       0.000       0.000       8.361      13.671      -2.201       0.000       0.000       0.000       0.000      14.378     -31.189       0.000
+     54000         539.65      39.619     -23.631      15.988       0.098     391.156     300.000       7.413    0      -39.961      31.233     -60.332     -24.511      61.234      15.000       1.087     -44.267       0.000       0.000       8.075      13.461      -1.340       0.000       0.000       0.000       0.000       9.465     -29.115       0.000
+     54100         540.65      28.474     -12.483      15.991       0.145     281.125     300.000       7.425    0      -39.185      30.870     -60.391     -23.347      77.875      15.211       0.990     -44.270       0.000       0.000       8.019      13.114      -0.489       0.000       0.000       0.000       0.000      15.789     -27.974       0.000
+     54200         541.65      34.055     -18.064      15.991       0.139     336.223     300.000       7.388    0      -41.366      31.896     -62.227     -24.305      82.222      15.092       0.895     -45.624       0.000       0.000       7.847      13.350      -0.926       0.000       0.000       0.000       0.000      13.896     -26.130       0.000
+     54300         542.65      39.765     -23.777      15.987       0.139     392.597     300.000       7.359    0      -42.509      33.812     -65.878     -24.337      66.017      14.678       0.819     -48.146       0.000       0.000       6.961      13.493      -1.366       0.000       0.000       0.000       0.000      13.989     -24.488       0.000
+     54400         543.64      44.452     -28.510      15.942       0.107     438.871     300.000       7.302    0      -42.422      37.613     -71.929     -22.963      41.797      14.288       0.846     -51.696       0.000       0.000       8.005      13.894      -1.886       0.000       0.000       0.000       0.000      11.061     -20.276       0.000
+     54500         544.64      41.538     -25.598      15.940       0.166     410.111     300.000       7.290    0      -42.836      39.858     -76.708     -22.750      52.945      14.562       1.359     -53.922       0.000       0.000       8.453      14.184      -2.874       0.000       0.000       0.000       0.000      11.225     -13.294       0.000
+     54600         545.64      33.210     -17.267      15.942       0.130     327.879     300.000       7.292    0      -42.494      39.954     -76.495     -21.046      76.228      14.760       1.813     -53.652       0.000       0.000       9.149      14.273      -4.073       0.000       0.000       0.000       0.000      12.346     -13.066       0.000
+     54700         546.62      38.301     -22.389      15.913       0.152     378.150     300.000       7.288    0      -42.869      38.883     -74.006     -23.339      62.027      15.104       1.964     -52.593       0.000       0.000       7.684      14.184      -4.844       0.000       0.000       0.000       0.000      12.840     -19.579       0.000
+     54800         547.62      34.694     -18.783      15.911       0.085     342.534     300.000       7.324    0      -41.997      36.536     -69.105     -21.200      64.402      15.324       1.995     -49.865       0.000       0.000       5.517      13.576      -4.975       0.000       0.000       0.000       0.000      13.184     -25.759       0.000
+     54900         548.62      29.269     -13.353      15.915       0.126     288.970     300.000       7.327    0      -42.187      36.519     -67.868     -20.251      82.196      15.506       2.109     -49.481       0.000       0.000       5.128      13.454      -5.399       0.000       0.000       0.000       0.000      14.283     -29.272       0.000
+     55000         549.62      28.919     -13.002      15.917       0.102     285.515     300.000       7.342    0      -41.807      37.462     -70.230     -20.207      72.956      15.689       2.240     -50.568       0.000       0.000       5.179      14.006      -6.552       0.000       0.000       0.000       0.000      15.076     -25.708       0.000
+     55100         550.62      33.963     -18.049      15.914       0.137     335.318     300.000       7.366    0      -42.579      37.088     -71.963     -20.241      49.820      15.866       2.358     -51.430       0.000       0.000       5.449      14.462      -6.345       0.000       0.000       0.000       0.000      15.099     -21.379       0.000
+     55200         551.62      43.881     -27.970      15.911       0.180     433.243     300.000       7.369    0      -42.827      36.251     -73.313     -25.129      63.819      15.984       2.475     -52.679       0.000       0.000       5.407      15.222      -6.127       0.000       0.000       0.000       0.000       9.780     -21.209       0.000
+     55300         552.62      33.577     -17.661      15.916       0.130     331.505     300.000       7.387    0      -41.704      34.718     -73.582     -22.371      85.693      16.174       2.347     -52.907       0.000       0.000       4.861      15.872      -5.675       0.000       0.000       0.000       0.000      12.974     -19.921       0.000
+     55400         553.62      38.262     -22.348      15.914       0.096     377.760     300.000       7.387    0      -41.730      34.860     -75.174     -22.738      78.356      16.304       2.075     -54.048       0.000       0.000       4.583      16.400      -5.761       0.000       0.000       0.000       0.000      10.485     -17.885       0.000
+     55500         554.62      40.587     -24.677      15.910       0.190     400.718     300.000       7.376    0      -41.068      35.231     -75.709     -23.244      58.356      16.452       1.547     -55.024       0.000       0.000       4.303      16.544      -5.947       0.000       0.000       0.000       0.000      11.991     -19.934       0.000
+     55600         555.62      42.042     -26.131      15.911       0.066     415.080     300.000       7.372    0      -41.523      35.162     -75.439     -23.044      60.082      17.047       1.073     -55.234       0.000       0.000       3.604      16.947      -5.891       0.000       0.000       0.000       0.000       9.810     -21.694       0.000
+     55700         556.62      42.572     -26.660      15.913       0.149     420.320     300.000       7.360    0      -42.979      37.435     -80.171     -24.911      62.749      17.269       0.791     -58.610       0.000       0.000       3.808      17.677      -5.059       0.000       0.000       0.000       0.000      11.313     -12.665       0.000
+     55800         557.62      36.083     -20.167      15.916       0.183     356.251     300.000       7.312    0      -43.253      42.243     -88.414     -25.936      73.832      16.979       0.701     -64.194       0.000       0.000       4.486      18.695      -4.451       0.000       0.000       0.000       0.000      14.320       7.944       0.000
+     55900         558.62      31.978     -16.062      15.915       0.090     315.717     300.000       7.283    0      -43.442      43.680     -89.336     -25.790      90.137      16.388       0.672     -64.985       0.000       0.000       5.827      18.621      -4.494       0.000       0.000       0.000       0.000      16.141       4.330       0.000
+     56000         559.62      36.736     -20.825      15.911       0.221     362.694     300.000       7.212    0      -43.605      45.177     -91.393     -25.514      96.772      15.523       0.877     -67.736       0.000       0.000       6.742      18.555      -3.853       0.000       0.000       0.000       0.000      12.160      -2.273       0.000
+     56100         560.62      32.750     -16.835      15.915       0.102     323.338     300.000       7.161    0      -42.367      46.014     -93.661     -24.033      86.816      15.094       0.856     -70.218       0.000       0.000       7.006      18.520      -2.292       0.000       0.000       0.000       0.000      15.619      -2.206       0.000
+     56200         561.62      38.897     -22.986      15.912       0.178     384.034     300.000       7.098    0      -43.670      47.843     -97.593     -24.529      73.839      15.383       0.591     -73.118       0.000       0.000       6.742      18.852      -1.711       0.000       0.000       0.000       0.000      12.290      12.725       0.000
+     56300         562.57      42.998     -27.232      15.765       0.088     424.516     300.000       7.037    0      -44.027      49.759    -100.615     -24.195      64.561      15.454       0.645     -75.689       0.000       0.000       6.732      18.796      -1.295       0.000       0.000       0.000       0.000       9.085      16.037       0.000
+     56400         563.57      38.155     -22.383      15.772       0.086     376.708     300.000       6.970    0      -43.978      50.336    -101.075     -21.594      66.693      15.222       0.996     -76.390       0.000       0.000       7.545      18.419      -1.108       0.000       0.000       0.000       0.000      11.314       9.412       0.000
+     56500         564.57      41.441     -25.670      15.771       0.093     409.144     300.000       6.912    0      -42.265      49.607    -102.329     -23.992      66.564      14.787       1.428     -77.388       0.000       0.000       8.067      17.936      -0.797       0.000       0.000       0.000       0.000      11.756       8.576       0.000
+     56600         565.57      42.546     -26.780      15.767       0.168     420.063     300.000       6.857    0      -42.974      49.771    -102.030     -22.908      81.175      14.305       1.595     -77.006       0.000       0.000       8.124      17.320       0.980       0.000       0.000       0.000       0.000       7.627      10.995       0.000
+     56700         566.57      37.422     -21.649      15.772       0.134     369.465     300.000       6.829    0      -42.752      49.264     -96.838     -23.802      58.606      14.388       1.673     -73.113       0.000       0.000       6.854      16.914       1.243       0.000       0.000       0.000       0.000      14.102       1.278       0.000
+     56800         567.57      36.069     -20.297      15.772       0.167     356.109     300.000       6.830    0      -42.367      45.223     -89.125     -23.988      68.584      14.884       1.700     -67.294       0.000       0.000       4.991      16.530       0.001       0.000       0.000       0.000       0.000      14.367     -13.482       0.000
+     56900         568.57      40.257     -24.486      15.771       0.166     397.459     300.000       6.817    0      -43.844      43.524     -85.348     -25.066      62.842      14.996       1.811     -64.369       0.000       0.000       4.600      16.432      -1.191       0.000       0.000       0.000       0.000      14.458     -20.077       0.000
+     57000         569.57      40.480     -24.706      15.775       0.111     399.665     300.000       6.799    0      -43.134      43.682     -84.118     -26.198      47.772      14.894       1.632     -63.044       0.000       0.000       5.574      16.190      -1.530       0.000       0.000       0.000       0.000      16.310     -20.364       0.000
+     57100         570.57      41.236     -25.462      15.774       0.141     407.127     300.000       6.803    0      -43.737      42.558     -81.629     -26.723      63.314      14.763       1.452     -60.556       0.000       0.000       6.098      15.836      -1.987       0.000       0.000       0.000       0.000      14.945     -22.139       0.000
+     57200         571.57      40.746     -24.975      15.771       0.082     402.288     300.000       6.829    0      -44.580      39.533     -75.723     -25.030      63.535      14.538       1.351     -55.783       0.000       0.000       5.486      15.230      -1.931       0.000       0.000       0.000       0.000      15.593     -28.706       0.000
+     57300         572.57      42.833     -27.065      15.768       0.228     422.891     300.000       6.867    0      -43.427      38.159     -72.169     -24.440      80.716      14.541       1.123     -52.415       0.000       0.000       5.204      14.729      -2.370       0.000       0.000       0.000       0.000       8.320     -29.650       0.000
+     57400         573.57      42.737     -26.968      15.770       0.110     421.945     300.000       6.890    0      -44.898      38.315     -70.243     -26.883      82.609      14.871       0.956     -50.079       0.000       0.000       5.405      14.710      -3.471       0.000       0.000       0.000       0.000      10.472     -28.618       0.000
+     57500         574.57      44.888     -29.122      15.766       0.206     443.184     300.000       6.907    0      -44.496      38.687     -69.561     -27.441      76.368      15.051       1.039     -48.400       0.000       0.000       5.854      14.749      -4.596       0.000       0.000       0.000       0.000       7.332     -25.030       0.000
+     57600         575.57      41.386     -25.619      15.768       0.162     408.609     300.000       6.922    0      -43.819      38.080     -66.558     -25.621      46.541      15.152       0.604     -46.423       0.000       0.000       7.345      14.070      -4.297       0.000       0.000       0.000       0.000      12.035     -26.561       0.000
+     57700         576.57      46.571     -30.803      15.768       0.190     459.793     300.000       6.934    0      -44.388      36.237     -61.786     -25.814      40.930      15.092       0.452     -44.121       0.000       0.000       7.740      13.383      -3.242       0.000       0.000       0.000       0.000       8.830     -33.511       0.000
+     57800         577.57      36.076     -20.305      15.770       0.109     356.177     300.000       6.966    0      -40.929      33.621     -57.533     -25.659      55.821      15.082       0.431     -41.868       0.000       0.000       7.295      12.702      -1.964       0.000       0.000       0.000       0.000      13.091     -37.487       0.000
+     57900         578.57      38.389     -22.619      15.770       0.057     379.018     300.000       6.979    0      -43.459      31.899     -54.247     -23.221      59.570      15.002       0.077     -40.080       0.000       0.000       7.762      12.023      -1.027       0.000       0.000       0.000       0.000      11.844     -39.587       0.000
+     58000         579.57      37.278     -21.509      15.769       0.132     368.049     300.000       6.981    0      -42.980      31.725     -53.717     -22.201      67.475      14.721      -0.192     -39.693       0.000       0.000       8.679      11.432      -0.339       0.000       0.000       0.000       0.000      10.783     -37.967       0.000
+     58100         580.57      33.756     -17.983      15.773       0.127     333.279     300.000       6.990    0      -42.959      31.597     -53.397     -23.235      59.426      14.590      -0.380     -38.967       0.000       0.000       9.113      11.388      -0.211       0.000       0.000       0.000       0.000      16.646     -35.705       0.000
+     58200         581.57      38.591     -22.823      15.769       0.159     381.013     300.000       6.995    0      -43.476      32.545     -54.114     -25.298      62.929      14.551      -0.478     -39.155       0.000       0.000       9.304      11.750      -0.343       0.000       0.000       0.000       0.000      12.750     -33.096       0.000
+     58300         582.57      37.077     -21.309      15.767       0.213     366.061     300.000       7.006    0      -43.467      33.134     -54.679     -23.649      57.320      14.345      -0.577     -39.442       0.000       0.000      10.089      11.651       0.431       0.000       0.000       0.000       0.000      12.591     -29.786       0.000
+     58400         583.57      36.977     -21.209      15.768       0.169     365.071     300.000       6.980    0      -43.000      32.399     -53.776     -24.133      64.065      14.201      -0.689     -39.079       0.000       0.000      10.210      11.646       0.845       0.000       0.000       0.000       0.000      12.385     -32.638       0.000
+     58500         584.57      38.456     -22.689      15.768       0.171     379.680     300.000       6.956    0      -44.836      32.837     -54.242     -24.032      76.629      13.708      -0.501     -39.779       0.000       0.000      10.995      11.235       1.575       0.000       0.000       0.000       0.000      12.202     -34.966       0.000
+     58600         585.57      38.410     -22.643      15.767       0.135     379.223     300.000       6.907    0      -44.829      35.271     -56.716     -22.572      69.465      13.095      -0.486     -41.646       0.000       0.000      12.123      10.926       2.449       0.000       0.000       0.000       0.000      11.396     -35.056       0.000
+     58700         586.57      39.402     -23.635      15.767       0.136     389.018     300.000       6.880    0      -45.074      37.391     -59.630     -22.995      71.581      12.628      -0.257     -43.409       0.000       0.000      12.974      10.787       2.759       0.000       0.000       0.000       0.000      10.470     -32.180       0.000
+     58800         587.57      40.620     -24.854      15.766       0.146     401.043     300.000       6.889    0      -45.504      38.161     -64.311     -23.623      79.069      12.680      -0.034     -45.775       0.000       0.000      11.612      11.202       2.458       0.000       0.000       0.000       0.000      10.393     -20.402       0.000
+     58900         588.57      38.743     -22.977      15.766       0.127     382.509     300.000       6.909    0      -45.436      40.027     -70.643     -21.648      72.700      12.780       0.322     -49.308       0.000       0.000      11.456      11.605       2.130       0.000       0.000       0.000       0.000      10.838      -2.797       0.000
+     59000         589.57      41.092     -25.325      15.767       0.093     405.707     300.000       6.909    0      -45.772      39.542     -68.705     -19.921      70.528      12.603       0.781     -48.795       0.000       0.000      11.500      10.827       1.293       0.000       0.000       0.000       0.000       9.561     -16.603       0.000
+     59100         590.57      40.714     -24.945      15.769       0.077     401.970     300.000       6.930    0      -45.492      37.054     -62.522     -19.688      63.966      12.311       1.181     -45.454       0.000       0.000      11.822       9.540       1.322       0.000       0.000       0.000       0.000      12.359     -32.763       0.000
+     59200         591.57      45.056     -29.286      15.770       0.134     444.841     300.000       6.970    0      -46.020      35.661     -59.103     -24.084      74.468      12.073       1.609     -43.672       0.000       0.000      12.066       9.258       1.002       0.000       0.000       0.000       0.000      11.954     -36.862       0.000
+     59300         592.57      40.331     -24.562      15.769       0.083     398.193     300.000       7.028    0      -45.080      34.440     -57.082     -23.622      90.664      12.012       1.979     -42.149       0.000       0.000      11.515       9.286       0.124       0.000       0.000       0.000       0.000      12.235     -36.687       0.000
+     59400         593.57      40.928     -25.161      15.767       0.240     404.087     300.000       7.074    0      -45.404      34.180     -57.217     -24.249      95.407      12.284       2.251     -41.843       0.000       0.000      10.617       9.351      -0.969       0.000       0.000       0.000       0.000      12.119     -36.070       0.000
+     59500         594.57      36.327     -20.555      15.771       0.134     358.653     300.000       7.109    0      -45.298      34.544     -56.691     -24.769      95.712      12.294       2.695     -41.023       0.000       0.000      10.368       9.597      -2.275       0.000       0.000       0.000       0.000      15.496     -35.277       0.000
+     59600         595.57      37.661     -21.893      15.768       0.118     371.829     300.000       7.159    0      -45.188      33.597     -53.957     -25.087      99.129      11.990       3.169     -39.151       0.000       0.000      10.012       9.283      -1.933       0.000       0.000       0.000       0.000      12.960     -36.777       0.000
+     59700         596.57      45.586     -29.820      15.766       0.208     450.075     300.000       7.207    0      -44.478      33.866     -54.337     -22.598      53.446      11.651       3.606     -39.374       0.000       0.000       9.418       9.417      -1.769       0.000       0.000       0.000       0.000       8.187     -35.335       0.000
+     59800         597.57      42.977     -27.211      15.766       0.132     424.317     300.000       7.266    0      -44.045      33.662     -54.097     -23.854      68.548      11.150       4.071     -39.235       0.000       0.000       8.988       9.250      -1.566       0.000       0.000       0.000       0.000       9.751     -35.248       0.000
+     59900         598.57      35.178     -19.409      15.769       0.124     347.313     300.000       7.324    0      -41.749      32.326     -51.128     -23.882      77.675      11.102       4.208     -37.342       0.000       0.000       7.580       8.703      -1.235       0.000       0.000       0.000       0.000      13.241     -37.405       0.000
+     60000         599.57      35.669     -19.901      15.768       0.219     352.161     300.000       7.377    0      -41.160      31.030     -48.208     -23.790      79.132      11.330       4.432     -35.497       0.000       0.000       7.302       8.235      -1.444       0.000       0.000       0.000       0.000      11.071     -38.355       0.000
+     60100         600.57      32.238     -16.466      15.772       0.128     318.284     300.000       7.376    0      -42.273      31.212     -47.057     -21.057      68.629      11.333       4.480     -34.953       0.000       0.000       8.644       7.558      -1.199       0.000       0.000       0.000       0.000      14.123     -39.934       0.000
+     60200         601.57      33.956     -18.185      15.770       0.093     335.244     300.000       7.364    0      -41.565      31.787     -46.734     -23.227      62.513      11.205       4.510     -34.509       0.000       0.000       8.989       7.039      -1.314       0.000       0.000       0.000       0.000      14.726     -40.348       0.000
+     60300         602.57      30.732     -14.960      15.772       0.162     303.417     300.000       7.354    0      -41.985      31.878     -45.868     -23.774      80.430      11.458       4.487     -33.611       0.000       0.000       8.394       7.008      -1.476       0.000       0.000       0.000       0.000      14.852     -40.207       0.000
+     60400         603.57      34.238     -18.470      15.768       0.135     338.031     300.000       7.357    0      -42.204      32.139     -46.556     -23.986      70.632      11.187       4.415     -34.101       0.000       0.000       8.738       6.694      -0.745       0.000       0.000       0.000       0.000      14.358     -39.832       0.000
+     60500         604.57      33.818     -18.050      15.768       0.148     333.886     300.000       7.374    0      -42.937      31.927     -47.612     -23.795      92.740      11.167       4.402     -34.492       0.000       0.000       8.226       7.044      -0.689       0.000       0.000       0.000       0.000      12.554     -38.254       0.000
+     60600         605.57      34.663     -18.897      15.766       0.119     342.232     300.000       7.389    0      -42.307      31.260     -46.517     -25.266      99.571      11.437       4.271     -33.472       0.000       0.000       7.913       7.493      -0.674       0.000       0.000       0.000       0.000      10.100     -37.254       0.000
+     60700         606.57      32.990     -17.221      15.769       0.083     325.709     300.000       7.398    0      -41.775      30.612     -44.328     -25.272      93.063      11.623       4.041     -32.142       0.000       0.000       8.199       7.556      -0.679       0.000       0.000       0.000       0.000      11.050     -38.930       0.000
+     60800         607.57      31.004     -15.234      15.771       0.128     306.108     300.000       7.386    0      -41.719      30.684     -43.253     -25.272      81.588      11.926       3.634     -31.575       0.000       0.000       8.274       7.733      -1.595       0.000       0.000       0.000       0.000      14.084     -39.356       0.000
+     60900         608.57      29.970     -14.199      15.771       0.086     295.899     300.000       7.393    0      -41.457      30.765     -43.594     -24.996      73.184      11.930       3.540     -31.709       0.000       0.000       8.373       7.495      -2.177       0.000       0.000       0.000       0.000      16.756     -38.102       0.000
+     61000         609.57      40.757     -24.987      15.770       0.089     402.392     300.000       7.400    0      -39.824      30.861     -45.512     -26.190      46.558      11.828       3.665     -32.984       0.000       0.000       8.984       7.596      -2.238       0.000       0.000       0.000       0.000      10.660     -35.197       0.000
+     61100         610.57      32.886     -17.116      15.771       0.112     324.688     300.000       7.414    0      -39.134      30.377     -45.659     -22.726      55.307      11.404       3.673     -33.558       0.000       0.000      10.043       7.112      -1.138       0.000       0.000       0.000       0.000      13.881     -33.235       0.000
+     61200         611.57      34.349     -18.581      15.768       0.084     339.131     300.000       7.421    0      -38.893      30.593     -46.086     -21.615      61.108      11.211       3.551     -34.098       0.000       0.000       9.704       6.817      -0.881       0.000       0.000       0.000       0.000      10.879     -31.915       0.000
+     61300         612.57      29.473     -13.704      15.769       0.145     290.988     300.000       7.413    0      -38.919      30.835     -46.351     -19.094      57.217      11.137       3.200     -34.750       0.000       0.000       9.527       6.627      -0.371       0.000       0.000       0.000       0.000      14.443     -32.761       0.000
+     61400         613.57      33.528     -17.760      15.768       0.163     331.025     300.000       7.415    0      -38.479      30.622     -46.677     -20.368      59.579      11.165       2.816     -35.089       0.000       0.000      10.086       6.304       0.104       0.000       0.000       0.000       0.000      12.181     -32.014       0.000
+     61500         614.57      30.222     -14.451      15.770       0.133     298.378     300.000       7.417    0      -39.005      30.369     -47.646     -17.922      71.164      11.375       2.693     -35.877       0.000       0.000      10.325       6.711      -0.093       0.000       0.000       0.000       0.000      11.719     -28.276       0.000
+     61600         615.57      29.857     -14.087      15.770       0.069     294.777     300.000       7.432    0      -39.105      29.572     -47.915     -19.882      83.386      11.463       2.691     -36.165       0.000       0.000       9.730       7.152       0.102       0.000       0.000       0.000       0.000      12.722     -24.946       0.000
+     61700         616.57      29.157     -13.387      15.770       0.163     287.872     300.000       7.417    0      -39.188      29.916     -47.200     -18.473      78.745      11.572       2.530     -35.811       0.000       0.000       8.567       7.567       0.003       0.000       0.000       0.000       0.000      11.434     -28.218       0.000
+     61800         617.57      27.156     -11.386      15.771       0.057     268.114     300.000       7.422    0      -39.511      29.864     -47.869     -16.420      72.098      11.598       2.443     -36.293       0.000       0.000       8.982       7.809      -0.177       0.000       0.000       0.000       0.000      13.144     -28.476       0.000
+     61900         618.57      30.485     -14.715      15.770       0.137     300.980     300.000       7.425    0      -38.699      29.321     -50.085     -17.583      66.799      11.654       2.177     -37.637       0.000       0.000       9.202       8.410      -0.511       0.000       0.000       0.000       0.000      13.026     -25.150       0.000
+     62000         619.57      29.755     -13.983      15.772       0.105     293.772     300.000       7.448    0      -38.397      30.016     -52.068     -16.450      67.575      12.049       1.740     -38.538       0.000       0.000      10.469       8.886      -0.514       0.000       0.000       0.000       0.000      11.326     -23.361       0.000
+     62100         620.57      36.303     -20.534      15.770       0.102     358.423     300.000       7.454    0      -40.064      31.026     -54.334     -19.181      57.369      12.272       1.510     -39.796       0.000       0.000      10.193       9.724      -0.930       0.000       0.000       0.000       0.000      11.038     -22.117       0.000
+     62200         621.57      33.654     -17.884      15.770       0.108     332.266     300.000       7.465    0      -39.646      31.635     -56.132     -20.261      67.796      12.325       1.597     -41.314       0.000       0.000       9.936      10.176      -0.332       0.000       0.000       0.000       0.000      12.001     -19.861       0.000
+     62300         622.57      31.566     -15.794      15.773       0.122     311.653     300.000       7.463    0      -41.006      32.320     -58.221     -21.071      76.390      12.538       1.445     -42.835       0.000       0.000       9.768      11.066      -0.463       0.000       0.000       0.000       0.000      14.708     -17.802       0.000
+     62400         623.57      40.477     -24.713      15.763       2.531     399.629     300.000       7.442    0      -41.841      33.419     -59.949     -23.172      70.256      12.672       1.265     -44.137       0.000       0.000       9.728      11.818      -1.030       0.000       0.000       0.000       0.000       9.614     -18.960       0.000
+     62500         624.57      37.350     -21.581      15.769       0.128     368.754     300.000       7.424    0      -41.216      34.382     -59.598     -22.053      60.795      12.770       1.012     -43.786       0.000       0.000       9.526      12.035      -1.943       0.000       0.000       0.000       0.000      10.873     -20.438       0.000
+     62600         625.56      43.269     -27.530      15.739       0.195     427.196     300.000       7.391    0      -42.158      35.304     -60.923     -23.042      59.293      12.669       0.791     -44.690       0.000       0.000       8.922      12.058      -2.125       0.000       0.000       0.000       0.000       8.169     -20.528       0.000
+     62700         626.56      39.424     -23.684      15.740       0.188     389.237     300.000       7.381    0      -41.205      35.832     -63.832     -22.413      67.626      12.671       0.471     -47.037       0.000       0.000       8.546      11.962      -1.567       0.000       0.000       0.000       0.000      11.194     -20.036       0.000
+     62800         627.56      33.336     -17.593      15.743       0.094     329.123     300.000       7.368    0      -40.164      35.531     -64.898     -20.123      75.106      12.884       0.201     -47.703       0.000       0.000       8.209      12.367      -1.166       0.000       0.000       0.000       0.000      12.520     -18.565       0.000
+     62900         628.56      41.181     -25.442      15.740       0.187     406.583     300.000       7.338    0      -40.279      37.030     -68.060     -23.293      59.494      12.943       0.031     -49.892       0.000       0.000       9.287      12.585      -0.592       0.000       0.000       0.000       0.000      10.607     -14.931       0.000
+     63000         629.56      45.077     -29.339      15.738       0.108     445.043     300.000       7.291    0      -39.797      40.353     -72.467     -22.948      39.122      12.861       0.005     -52.956       0.000       0.000      10.903      12.783      -0.437       0.000       0.000       0.000       0.000       6.735      -6.820       0.000
+     63100         630.56      44.209     -28.471      15.738       0.165     436.474     300.000       7.241    0      -40.832      40.376     -74.087     -22.692      56.739      13.008      -0.199     -54.002       0.000       0.000      10.908      13.005      -0.185       0.000       0.000       0.000       0.000       6.793      -5.844       0.000
+     63200         631.56      37.917     -22.177      15.740       0.107     374.355     300.000       7.199    0      -41.293      40.545     -72.685     -22.225      83.244      13.265      -0.395     -53.088       0.000       0.000      10.600      12.688       0.071       0.000       0.000       0.000       0.000       8.009     -11.044       0.000
+     63300         632.56      34.246     -18.506      15.740       0.135     338.110     300.000       7.174    0      -41.988      40.412     -69.464     -20.774      73.085      13.201      -0.653     -50.707       0.000       0.000      11.716      12.105       0.195       0.000       0.000       0.000       0.000      11.161     -14.569       0.000
+     63400         633.56      36.528     -20.785      15.743       0.190     360.642     300.000       7.159    0      -43.451      39.805     -68.853     -24.191      84.439      12.830      -0.649     -49.812       0.000       0.000      12.073      12.132       0.024       0.000       0.000       0.000       0.000      13.835     -14.947       0.000
+     63500         634.56      31.449     -15.707      15.743       0.146     310.501     300.000       7.172    0      -43.332      37.447     -65.426     -20.589      80.429      12.526      -0.758     -47.049       0.000       0.000      12.884      11.921       1.141       0.000       0.000       0.000       0.000      16.124     -18.818       0.000
+     63600         635.56      44.950     -29.210      15.740       0.082     443.794     300.000       7.157    0      -42.925      36.000     -63.185     -22.375      39.928      12.271      -0.761     -46.098       0.000       0.000      12.792      11.668       1.685       0.000       0.000       0.000       0.000      12.156     -23.919       0.000
+     63700         636.56      36.116     -20.374      15.742       0.102     356.575     300.000       7.166    0      -42.364      35.115     -60.557     -19.392      55.740      11.963      -0.659     -44.844       0.000       0.000      13.118      10.877       2.859       0.000       0.000       0.000       0.000      14.474     -26.177       0.000
+     63800         637.56      32.039     -16.297      15.743       0.141     316.326     300.000       7.167    0      -41.306      33.812     -58.711     -21.202      96.907      11.880      -0.510     -43.535       0.000       0.000      12.629      10.711       2.922       0.000       0.000       0.000       0.000      13.215     -28.708       0.000
+     63900         638.56      33.392     -17.651      15.741       0.080     329.684     300.000       7.187    0      -41.827      33.895     -60.314     -17.121      79.105      11.768      -0.606     -43.623       0.000       0.000      12.879      10.668       3.783       0.000       0.000       0.000       0.000      11.114     -23.547       0.000
+     64000         639.56      35.080     -19.340      15.740       0.170     346.349     300.000       7.178    0      -42.957      34.554     -60.251     -15.712      68.755      11.672      -0.670     -43.213       0.000       0.000      13.199      10.761       4.007       0.000       0.000       0.000       0.000       9.765     -24.165       0.000
+     64100         640.56      31.761     -16.019      15.742       0.061     313.574     300.000       7.198    0      -43.510      33.946     -58.262     -15.085      62.652      11.572      -0.523     -41.850       0.000       0.000      13.780      10.770       4.080       0.000       0.000       0.000       0.000      12.861     -23.954       0.000
+     64200         641.56      34.019     -18.278      15.741       0.129     335.872     300.000       7.219    0      -43.366      32.846     -57.329     -12.700      49.265      11.656      -0.556     -41.105       0.000       0.000      12.956      11.098       3.758       0.000       0.000       0.000       0.000       9.976     -21.030       0.000
+     64300         642.56      35.158     -19.418      15.740       0.123     347.120     300.000       7.233    0      -41.938      30.956     -54.207     -13.972      57.793      11.667      -0.765     -39.397       0.000       0.000      12.682      10.923       3.924       0.000       0.000       0.000       0.000       8.238     -27.101       0.000
+     64400         643.56      31.914     -16.176      15.738       0.629     315.090     300.000       7.250    0      -41.287      30.158     -53.791     -15.793      73.422      11.715      -0.863     -38.534       0.000       0.000      11.860      11.193       3.836       0.000       0.000       0.000       0.000      10.402     -25.993       0.000
+     64500         644.56      35.901     -20.161      15.740       0.082     354.451     300.000       7.248    0      -41.614      30.629     -56.504     -18.421      76.239      11.846      -0.870     -40.297       0.000       0.000      11.515      12.143       3.323       0.000       0.000       0.000       0.000       9.147     -19.491       0.000
+     64600         645.56      37.246     -21.507      15.739       0.209     367.732     300.000       7.248    0      -41.309      31.111     -56.960     -19.761      54.873      12.115      -0.857     -39.977       0.000       0.000      12.056      12.664       3.006       0.000       0.000       0.000       0.000      10.069     -15.716       0.000
+     64700         646.56      30.865     -15.124      15.742       0.163     304.735     300.000       7.239    0      -39.972      30.914     -55.846     -20.574      66.719      12.415      -0.816     -38.733       0.000       0.000      11.624      12.967       2.206       0.000       0.000       0.000       0.000      12.131     -16.398       0.000
+     64800         647.56      33.884     -18.144      15.740       0.146     334.541     300.000       7.249    0      -40.035      28.133     -49.537     -20.815      62.622      12.420      -0.970     -34.708       0.000       0.000      11.149      12.237       1.480       0.000       0.000       0.000       0.000      11.338     -25.107       0.000
+     64900         648.56      35.693     -19.954      15.739       0.111     352.398     300.000       7.242    0      -40.565      26.854     -46.629     -21.014      67.801      12.541      -1.069     -33.088       0.000       0.000      10.378      11.976       1.494       0.000       0.000       0.000       0.000       9.704     -28.118       0.000
+     65000         649.56      35.606     -19.867      15.739       0.096     351.539     300.000       7.210    0      -42.486      27.183     -46.170     -19.046      73.267      12.384      -1.024     -32.975       0.000       0.000      10.857      11.821       1.341       0.000       0.000       0.000       0.000       9.029     -29.374       0.000
+     65100         650.56      37.592     -21.852      15.740       0.086     371.150     300.000       7.186    0      -41.974      27.901     -47.466     -21.262      59.579      12.228      -0.735     -33.344       0.000       0.000      11.222      12.128       0.403       0.000       0.000       0.000       0.000      10.956     -29.501       0.000
+     65200         651.56      33.623     -17.882      15.741       0.105     331.960     300.000       7.188    0      -42.333      28.573     -47.940     -21.305      63.085      12.275      -0.230     -33.319       0.000       0.000      11.125      12.555      -0.175       0.000       0.000       0.000       0.000      12.840     -28.618       0.000
+     65300         652.56      39.278     -23.538      15.740       0.167     387.792     300.000       7.187    0      -43.773      28.785     -48.618     -23.270      66.214      12.442       0.008     -33.898       0.000       0.000      10.674      13.067      -0.533       0.000       0.000       0.000       0.000       9.953     -28.235       0.000
+     65400         653.56      33.847     -18.105      15.741       0.096     334.172     300.000       7.165    0      -44.115      30.107     -52.549     -20.982      69.067      12.777      -0.024     -36.890       0.000       0.000      10.708      13.672      -0.179       0.000       0.000       0.000       0.000      12.514     -24.885       0.000
+     65500         654.56      40.938     -25.201      15.738       0.089     404.185     300.000       7.143    0      -42.868      31.725     -57.164     -23.162      60.048      13.138      -0.406     -40.491       0.000       0.000      11.046      13.847       0.521       0.000       0.000       0.000       0.000       8.576     -21.009       0.000
+     65600         655.56      40.114     -24.374      15.740       0.219     396.048     300.000       7.109    0      -44.300      35.000     -64.573     -21.166      50.804      13.301      -0.597     -46.080       0.000       0.000      10.886      14.084       1.733       0.000       0.000       0.000       0.000      10.615     -10.147       0.000
+     65700         656.56      30.649     -14.906      15.743       0.092     302.598     300.000       7.076    0      -42.620      36.044     -67.858     -20.011      54.215      13.184      -0.632     -49.156       0.000       0.000       9.782      14.008       2.990       0.000       0.000       0.000       0.000      17.440      -7.828       0.000
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+     66000         659.56      38.424     -22.685      15.739       0.105     379.357     300.000       6.992    0      -44.574      39.455     -72.736     -21.298      53.608      13.130      -0.475     -52.803       0.000       0.000       9.614      14.187       2.680       0.000       0.000       0.000       0.000      13.050      -5.791       0.000
+     66100         660.56      36.198     -20.456      15.742       0.202     357.389     300.000       6.955    0      -44.980      38.872     -70.390     -21.037      55.642      12.804      -0.242     -51.408       0.000       0.000       9.546      13.623       1.450       0.000       0.000       0.000       0.000      16.735     -13.030       0.000
+     66200         661.56      35.353     -19.614      15.739       0.070     349.044     300.000       6.936    0      -44.594      37.930     -66.933     -19.621      75.983      12.562      -0.178     -49.152       0.000       0.000       9.273      13.061       1.400       0.000       0.000       0.000       0.000      12.355     -19.669       0.000
+     66300         662.56      33.884     -18.144      15.740       0.158     334.539     300.000       6.895    0      -43.997      38.505     -65.724     -21.044      79.352      12.174      -0.113     -48.493       0.000       0.000       9.188      12.987       1.416       0.000       0.000       0.000       0.000      12.981     -21.052       0.000
+     66400         663.56      33.249     -17.509      15.741       0.233     328.272     300.000       6.859    0      -44.358      40.262     -66.560     -22.489      71.570      11.748      -0.020     -48.869       0.000       0.000       9.080      13.008       1.115       0.000       0.000       0.000       0.000      15.799     -20.552       0.000
+     66500         664.54      32.937     -17.240      15.697       0.110     325.184     300.000       6.836    0      -42.178      39.546     -63.297     -23.649      52.819      12.044       0.030     -46.503       0.000       0.000       8.844      12.663       1.242       0.000       0.000       0.000       0.000      15.654     -24.985       0.000
+     66600         665.54      38.127     -22.432      15.695       0.176     376.425     300.000       6.819    0      -43.732      37.583     -59.961     -21.643      55.811      12.191       0.168     -44.158       0.000       0.000       9.068      12.193       1.519       0.000       0.000       0.000       0.000      10.156     -29.925       0.000
+     66700         666.54      38.747     -23.054      15.692       0.106     382.547     300.000       6.819    0      -40.940      35.906     -57.592     -23.481      55.573      12.131       0.259     -42.784       0.000       0.000       9.876      11.845       1.432       0.000       0.000       0.000       0.000       9.145     -33.257       0.000
+     66800         667.54      31.164     -15.466      15.698       0.110     307.679     300.000       6.829    0      -42.866      34.291     -55.213     -19.223      62.949      11.737       0.230     -41.211       0.000       0.000      11.348      11.238       1.086       0.000       0.000       0.000       0.000      15.446     -34.264       0.000
+     66900         668.54      36.338     -20.642      15.696       0.158     358.766     300.000       6.835    0      -42.995      33.444     -54.795     -20.600      75.308      11.687       0.269     -40.366       0.000       0.000      11.486      11.353       0.366       0.000       0.000       0.000       0.000      10.830     -32.855       0.000
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+     68200         681.52      34.616     -18.906      15.710       0.110     341.763     300.000       7.371    0      -38.503      24.524     -39.440     -20.063      36.245      11.806       0.108     -27.282       0.000       0.000      11.903      10.410       0.438       0.000       0.000       0.000       0.000      10.630     -26.645       0.000
+     68300         682.52      29.841     -14.130      15.711       0.137     294.622     300.000       7.402    0      -37.964      23.694     -37.184     -19.686      43.220      12.311      -0.010     -25.856       0.000       0.000      11.073      10.269       0.209       0.000       0.000       0.000       0.000      12.132     -28.527       0.000
+     68400         683.52      29.120     -13.412      15.709       0.155     287.506     300.000       7.421    0      -36.893      21.988     -34.492     -20.850      64.883      12.632      -0.276     -24.726       0.000       0.000       9.999      10.046       0.555       0.000       0.000       0.000       0.000       9.850     -30.649       0.000
+     68500         684.52      28.579     -12.871      15.708       0.313     282.164     300.000       7.435    0      -37.434      22.397     -35.379     -21.781      76.954      12.148      -0.225     -25.333       0.000       0.000      10.425       9.953       0.657       0.000       0.000       0.000       0.000      11.302     -30.073       0.000
+     68600         685.52      27.708     -11.996      15.711       0.090     273.558     300.000       7.431    0      -38.047      23.850     -38.122     -20.249      75.719      11.811      -0.228     -27.311       0.000       0.000      11.449       9.942       0.858       0.000       0.000       0.000       0.000      12.281     -29.441       0.000
+     68700         686.52      35.459     -19.748      15.711       0.263     350.084     300.000       7.434    0      -38.137      24.957     -41.917     -20.882      43.180      11.471      -0.011     -30.112       0.000       0.000      12.041      10.093       1.171       0.000       0.000       0.000       0.000      12.346     -27.276       0.000
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+     68900         688.52      28.462     -12.752      15.710       0.154     281.005     300.000       7.463    0      -37.799      26.417     -45.316     -18.922      79.637      11.467      -0.020     -32.758       0.000       0.000      12.693      10.067       1.538       0.000       0.000       0.000       0.000      11.468     -25.387       0.000
+     69000         689.52      32.155     -16.448      15.707       0.137     317.464     300.000       7.461    0      -37.904      26.773     -44.977     -20.059      86.945      11.520      -0.264     -32.814       0.000       0.000      12.325      10.155       1.461       0.000       0.000       0.000       0.000       7.629     -26.746       0.000
+     69100         690.52      31.579     -15.870      15.709       0.107     311.782     300.000       7.480    0      -38.830      25.879     -42.803     -20.779      68.666      11.552      -0.411     -31.658       0.000       0.000      12.231       9.889       1.734       0.000       0.000       0.000       0.000      13.358     -29.222       0.000
+     69200         691.52      34.823     -19.113      15.710       0.242     343.810     300.000       7.474    0      -39.035      25.391     -41.707     -22.189      57.401      11.879      -0.559     -30.660       0.000       0.000      11.619      10.180       1.333       0.000       0.000       0.000       0.000      12.950     -30.072       0.000
+     69300         692.52      35.305     -19.595      15.709       0.131     348.563     300.000       7.470    0      -38.826      25.793     -42.525     -21.662      53.744      12.199      -0.774     -31.030       0.000       0.000      11.539      10.421       1.134       0.000       0.000       0.000       0.000      11.681     -29.731       0.000
+     69400         693.52      35.697     -19.988      15.709       0.146     352.439     300.000       7.445    0      -38.571      27.387     -45.284     -21.341      58.939      12.384      -1.136     -32.979       0.000       0.000      11.299      10.860       0.775       0.000       0.000       0.000       0.000       9.680     -29.197       0.000
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+     69700         696.52      34.006     -18.297      15.709       0.365     335.743     300.000       7.382    0      -39.765      35.858     -58.775     -23.750      60.655      12.978      -1.888     -41.746       0.000       0.000      12.986      12.392      -0.681       0.000       0.000       0.000       0.000      11.300     -10.067       0.000
+     69800         697.52      39.475     -23.767      15.708       0.079     389.738     300.000       7.385    0      -40.587      37.311     -61.789     -22.665      32.829      13.028      -1.837     -43.780       0.000       0.000      13.008      12.671      -0.861       0.000       0.000       0.000       0.000       9.684      -3.698       0.000
+     69900         698.52      36.331     -20.618      15.713       0.075     358.693     300.000       7.390    0      -39.974      35.193     -61.246     -22.710      52.436      12.948      -1.977     -43.455       0.000       0.000      11.687      12.975      -0.557       0.000       0.000       0.000       0.000      12.615     -12.684       0.000
+     70000         699.52      33.055     -17.344      15.710       0.076     326.350     300.000       7.393    0      -39.924      34.241     -60.824     -21.912      72.462      13.021      -2.043     -43.190       0.000       0.000      10.815      13.271      -0.093       0.000       0.000       0.000       0.000      12.352     -15.359       0.000
+     70100         700.52      31.215     -15.505      15.711       0.143     308.191     300.000       7.405    0      -40.114      32.471     -57.839     -21.019      82.559      13.080      -1.957     -41.493       0.000       0.000      10.666      13.123       0.099       0.000       0.000       0.000       0.000      12.400     -22.028       0.000
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+     70300         702.52      38.982     -23.272      15.709       0.132     384.866     300.000       7.450    0      -40.660      29.935     -55.095     -22.580      55.127      13.438      -1.618     -39.777       0.000       0.000      11.110      13.084      -0.521       0.000       0.000       0.000       0.000      12.607     -26.388       0.000
+     70400         703.52      38.328     -22.616      15.712       0.147     378.410     300.000       7.453    0      -41.581      30.577     -55.353     -20.467      50.554      13.354      -1.511     -39.853       0.000       0.000      11.643      13.212      -0.898       0.000       0.000       0.000       0.000      11.965     -26.158       0.000
+     70500         704.52      36.657     -20.946      15.711       0.173     361.914     300.000       7.464    0      -42.163      30.591     -56.615     -21.221      74.040      13.251      -1.603     -40.752       0.000       0.000      11.836      13.287      -1.161       0.000       0.000       0.000       0.000      12.988     -25.249       0.000
+     70600         705.52      29.935     -14.222      15.713       0.113     295.550     300.000       7.438    0      -42.145      30.717     -57.178     -20.038     100.573      13.244      -1.726     -41.425       0.000       0.000      11.581      13.337      -0.905       0.000       0.000       0.000       0.000      14.482     -24.992       0.000
+     70700         706.52      39.040     -23.334      15.706       0.102     385.442     300.000       7.407    0      -43.934      32.222     -60.245     -19.555      82.076      13.255      -1.742     -43.626       0.000       0.000      11.586      13.386      -0.345       0.000       0.000       0.000       0.000      10.165     -21.737       0.000
+     70800         707.52      38.810     -23.104      15.706       0.220     383.173     300.000       7.338    0      -43.732      34.004     -63.555     -18.269      67.904      13.254      -1.588     -46.020       0.000       0.000      12.160      13.502      -0.470       0.000       0.000       0.000       0.000      10.847     -19.760       0.000
+     70900         708.52      36.778     -21.070      15.708       0.168     363.108     300.000       7.268    0      -43.886      36.995     -69.623     -18.179      76.342      13.382      -1.213     -50.166       0.000       0.000      12.214      13.928      -1.160       0.000       0.000       0.000       0.000      11.024     -12.408       0.000
+     71000         709.52      37.135     -21.423      15.712       0.120     366.633     300.000       7.217    0      -43.459      37.964     -71.146     -18.895      73.555      13.751      -1.200     -51.157       0.000       0.000      12.088      14.301      -0.758       0.000       0.000       0.000       0.000       9.344      -9.248       0.000
+     71100         710.52      32.797     -17.080      15.717       0.102     323.804     300.000       7.165    0      -44.034      37.722     -67.762     -18.780      49.492      13.955      -1.591     -49.579       0.000       0.000      12.524      13.990       0.230       0.000       0.000       0.000       0.000      16.308     -15.992       0.000
+     71200         711.52      36.726     -21.012      15.714       0.130     362.593     300.000       7.140    0      -46.500      38.722     -67.737     -19.380      58.768      13.842      -1.614     -49.751       0.000       0.000      13.065      13.461       0.418       0.000       0.000       0.000       0.000      14.243     -15.553       0.000
+     71300         712.52      30.059     -14.341      15.718       0.093     296.770     300.000       7.106    0      -46.123      38.610     -64.568     -17.702      71.825      13.725      -1.547     -47.617       0.000       0.000      13.087      12.926      -0.373       0.000       0.000       0.000       0.000      15.727     -22.692       0.000
+     71400         713.52      34.455     -18.739      15.717       0.134     340.179     300.000       7.088    0      -46.245      38.871     -64.490     -19.846      74.359      13.668      -1.504     -47.733       0.000       0.000      13.260      12.389      -0.454       0.000       0.000       0.000       0.000      14.443     -25.869       0.000
+     71500         714.52      40.834     -25.119      15.715       0.102     403.153     300.000       7.068    0      -48.053      38.661     -64.586     -20.377      65.865      13.926      -1.453     -47.981       0.000       0.000      12.584      12.283      -0.844       0.000       0.000       0.000       0.000      13.268     -28.613       0.000
+     71600         715.52      40.452     -24.736      15.716       0.145     399.380     300.000       7.071    0      -46.172      38.648     -66.805     -20.934      56.173      13.984      -1.074     -49.256       0.000       0.000      12.525      12.744      -1.827       0.000       0.000       0.000       0.000      14.471     -27.093       0.000
+     71700         716.52      36.968     -21.253      15.715       0.205     364.986     300.000       7.070    0      -44.688      39.618     -68.071     -21.063      56.234      14.238      -0.744     -49.478       0.000       0.000      12.969      13.129      -3.007       0.000       0.000       0.000       0.000      14.298     -24.644       0.000
+     71800         717.52      33.645     -17.928      15.717       0.115     332.179     300.000       7.095    0      -44.319      38.948     -65.881     -21.547      55.159      14.086      -0.673     -47.803       0.000       0.000      12.880      13.111      -3.387       0.000       0.000       0.000       0.000      17.216     -25.502       0.000
+     71900         718.52      40.656     -24.942      15.714       0.180     401.399     300.000       7.131    0      -41.948      36.227     -65.053     -24.298      49.397      13.920      -0.637     -46.950       0.000       0.000      10.875      13.530      -3.359       0.000       0.000       0.000       0.000      14.218     -24.680       0.000
+     72000         719.52      36.529     -20.811      15.718       0.079     360.653     300.000       7.187    0      -43.543      34.146     -62.339     -23.153      50.546      13.571      -0.375     -45.067       0.000       0.000       9.917      13.561      -3.183       0.000       0.000       0.000       0.000      19.879     -24.966       0.000
+     72100         720.52      35.290     -19.575      15.715       0.192     348.420     300.000       7.197    0      -41.856      33.979     -59.991     -22.652      51.578      13.649      -0.084     -43.926       0.000       0.000       9.388      13.403      -3.169       0.000       0.000       0.000       0.000      16.361     -28.823       0.000
+     72200         721.52      33.810     -18.093      15.717       0.168     333.812     300.000       7.210    0      -40.778      31.811     -55.487     -24.392      50.603      13.836       0.135     -40.943       0.000       0.000       8.241      13.011      -3.074       0.000       0.000       0.000       0.000      18.157     -34.214       0.000
+     72300         722.52      36.424     -20.708      15.716       0.202     359.620     300.000       7.197    0      -41.668      30.505     -53.380     -23.989      39.414      14.129       0.307     -39.415       0.000       0.000       6.973      12.977      -2.962       0.000       0.000       0.000       0.000      17.534     -35.743       0.000
+     72400         723.52      35.158     -19.443      15.715       0.150     347.111     300.000       7.183    0      -40.277      30.399     -53.701     -23.530      53.477      14.237       0.486     -39.617       0.000       0.000       5.959      13.058      -2.844       0.000       0.000       0.000       0.000      14.009     -35.428       0.000
+     72500         724.52      36.476     -20.762      15.714       0.106     360.125     300.000       7.176    0      -41.856      30.231     -55.348     -21.967      58.113      14.592       0.424     -40.777       0.000       0.000       5.335      13.543      -3.206       0.000       0.000       0.000       0.000      12.950     -33.650       0.000
+     72600         725.52      28.900     -13.181      15.719       0.098     285.327     300.000       7.164    0      -41.964      31.287     -58.310     -20.248      59.416      14.647       0.091     -42.614       0.000       0.000       6.026      13.813      -3.388       0.000       0.000       0.000       0.000      19.428     -31.290       0.000
+     72700         726.52      26.309     -10.590      15.719       0.166     259.747     300.000       7.152    0      -40.655      32.594     -61.663     -19.313      57.951      14.851      -0.233     -44.586       0.000       0.000       6.237      14.159      -3.479       0.000       0.000       0.000       0.000      19.694     -27.447       0.000
+     72800         727.52      36.293     -20.579      15.714       0.223     358.324     300.000       7.116    0      -41.779      33.047     -62.465     -19.614      45.361      14.770      -0.395     -45.013       0.000       0.000       6.294      14.190      -3.342       0.000       0.000       0.000       0.000      13.753     -26.066       0.000
+     72900         728.52      40.706     -24.994      15.712       0.133     401.893     300.000       7.091    0      -42.278      32.603     -62.065     -22.127      48.785      14.781      -0.443     -45.012       0.000       0.000       6.073      14.128      -2.910       0.000       0.000       0.000       0.000      12.876     -28.041       0.000
+     73000         729.52      32.537     -16.820      15.717       0.105     321.239     300.000       7.059    0      -42.371      32.747     -62.977     -19.233      51.204      15.013      -0.503     -45.419       0.000       0.000       5.321      14.123      -2.662       0.000       0.000       0.000       0.000      17.621     -27.524       0.000
+     73100         730.52      42.801     -27.087      15.714       0.073     422.571     300.000       7.018    0      -44.065      33.470     -64.688     -22.139      44.124      15.494      -0.937     -46.038       0.000       0.000       4.967      14.613      -2.999       0.000       0.000       0.000       0.000      13.582     -27.148       0.000
+     73200         731.52      39.216     -23.500      15.716       0.177     387.185     300.000       6.972    0      -44.630      35.257     -66.642     -22.601      56.109      15.454      -1.373     -46.770       0.000       0.000       5.911      14.742      -2.960       0.000       0.000       0.000       0.000      15.715     -26.877       0.000
+     73300         732.52      37.067     -21.350      15.717       0.132     365.968     300.000       6.950    0      -43.533      36.365     -69.115     -22.150      51.359      15.237      -1.214     -48.458       0.000       0.000       7.568      14.453      -2.513       0.000       0.000       0.000       0.000      17.049     -23.151       0.000
+     73400         733.50      40.764     -25.076      15.687       0.099     402.460     300.000       6.903    0      -44.546      38.707     -72.579     -24.259      54.937      15.426      -0.799     -51.221       0.000       0.000       9.685      14.607      -2.955       0.000       0.000       0.000       0.000      14.753     -20.009       0.000
+     73500         734.50      40.434     -24.746      15.688       0.237     399.205     300.000       6.872    0      -45.522      40.818     -76.058     -24.814      47.834      15.760      -0.733     -53.617       0.000       0.000      10.428      15.136      -3.186       0.000       0.000       0.000       0.000      16.358     -16.817       0.000
+     73600         735.50      37.293     -21.603      15.690       0.130     368.196     300.000       6.852    0      -46.652      41.201     -76.412     -23.019      52.074      15.991      -1.064     -54.292       0.000       0.000      10.434      15.130      -2.605       0.000       0.000       0.000       0.000      17.976     -17.367       0.000
+     73700         736.50      41.292     -25.606      15.686       0.192     407.673     300.000       6.851    0      -46.660      41.973     -77.557     -23.871      60.744      16.019      -1.178     -55.414       0.000       0.000      10.594      15.034      -1.847       0.000       0.000       0.000       0.000      13.332     -16.996       0.000
+     73800         737.50      31.170     -15.482      15.688       0.119     307.746     300.000       6.883    0      -46.933      41.589     -78.895     -23.463      86.118      15.792      -1.371     -56.114       0.000       0.000      10.487      14.789      -0.976       0.000       0.000       0.000       0.000      21.357     -13.903       0.000
+     73900         738.50      41.293     -25.610      15.683       0.124     407.689     300.000       6.900    0      -46.632      42.385     -80.902     -23.294      81.179      16.019      -1.453     -56.409       0.000       0.000      10.260      15.277      -0.996       0.000       0.000       0.000       0.000       9.859      -7.081       0.000
+     74000         739.50      43.933     -28.248      15.685       0.201     433.749     300.000       6.917    0      -46.745      43.074     -81.651     -23.964      53.663      16.192      -1.679     -56.787       0.000       0.000      11.156      15.108      -0.945       0.000       0.000       0.000       0.000      12.578      -9.271       0.000
+     74100         740.50      32.786     -17.098      15.688       0.151     323.702     300.000       6.936    0      -45.898      44.403     -82.717     -23.856      76.596      16.151      -1.660     -58.347       0.000       0.000      11.641      14.776      -1.315       0.000       0.000       0.000       0.000      19.216     -12.744       0.000
+     74200         741.50      37.416     -21.733      15.683       0.215     369.409     300.000       6.943    0      -44.947      45.379     -85.079     -24.703      70.314      16.285      -1.422     -59.995       0.000       0.000      10.509      15.490      -1.897       0.000       0.000       0.000       0.000      14.214      -7.181       0.000
+     74300         742.50      33.287     -17.600      15.687       0.086     328.643     300.000       6.948    0      -44.869      47.438     -89.672     -22.116      52.886      16.497      -1.506     -62.556       0.000       0.000      10.309      16.052      -2.372       0.000       0.000       0.000       0.000      16.955       5.028       0.000
+     74400         743.50      34.471     -18.784      15.687       0.088     340.331     300.000       6.947    0      -44.924      49.095     -94.894     -22.440      52.520      16.418      -1.493     -66.161       0.000       0.000      11.123      16.219      -2.999       0.000       0.000       0.000       0.000      17.835      15.762       0.000
+     74500         744.50      44.429     -28.750      15.679       0.170     438.650     300.000       6.970    0      -43.516      44.708     -87.812     -23.493      32.502      16.257      -1.415     -62.502       0.000       0.000      10.180      15.794      -2.422       0.000       0.000       0.000       0.000      13.438      -1.698       0.000
+     74600         745.50      39.089     -23.406      15.683       0.162     385.931     300.000       7.003    0      -41.939      41.390     -81.450     -22.750      37.802      15.912      -1.035     -58.381       0.000       0.000       9.002      15.512      -1.742       0.000       0.000       0.000       0.000      15.614     -14.038       0.000
+     74700         746.50      35.736     -20.054      15.683       0.115     352.826     300.000       7.012    0      -41.398      39.855     -78.784     -23.142      56.997      15.768      -0.545     -56.334       0.000       0.000       8.967      15.281      -2.449       0.000       0.000       0.000       0.000      16.073     -18.191       0.000
+     74800         747.50      35.588     -19.906      15.681       0.166     351.358     300.000       7.005    0      -44.519      40.140     -77.734     -21.684      66.658      16.035      -0.631     -55.943       0.000       0.000      10.284      14.900      -2.829       0.000       0.000       0.000       0.000      16.564     -22.038       0.000
+     74900         748.50      34.893     -19.212      15.681       0.121     344.497     300.000       7.002    0      -42.476      40.962     -77.592     -24.614      81.009      16.245      -0.655     -54.975       0.000       0.000      10.970      15.143      -3.725       0.000       0.000       0.000       0.000      13.306     -21.513       0.000
+     75000         749.50      34.603     -18.921      15.683       0.154     341.641     300.000       7.015    0      -42.731      40.696     -74.998     -26.240      81.359      16.311      -0.649     -53.026       0.000       0.000      11.702      14.726      -3.918       0.000       0.000       0.000       0.000      14.472     -25.276       0.000
+     75100         750.50      38.290     -22.610      15.680       0.165     378.043     300.000       7.029    0      -42.635      38.460     -71.366     -26.733      60.153      16.101      -0.476     -51.092       0.000       0.000      11.162      14.392      -3.335       0.000       0.000       0.000       0.000      15.754     -30.118       0.000
+     75200         751.50      42.378     -26.700      15.678       0.251     418.401     300.000       7.060    0      -42.713      37.594     -70.456     -26.177      54.883      15.867      -0.471     -51.055       0.000       0.000      10.601      14.031      -2.866       0.000       0.000       0.000       0.000      13.656     -31.022       0.000
+     75300         752.50      37.555     -21.872      15.682       0.109     370.778     300.000       7.063    0      -41.928      38.395     -72.640     -27.125      72.667      15.796      -0.218     -52.536       0.000       0.000      10.040      14.316      -3.454       0.000       0.000       0.000       0.000      16.023     -28.833       0.000
+     75400         753.50      32.169     -16.484      15.685       0.112     317.607     300.000       7.054    0      -40.881      40.130     -76.415     -25.412      98.543      15.756       0.080     -55.321       0.000       0.000       9.852      14.547      -3.883       0.000       0.000       0.000       0.000      14.057     -24.906       0.000
+     75500         754.50      31.959     -16.275      15.684       0.137     315.532     300.000       7.049    0      -41.478      40.166     -77.284     -26.809      97.421      15.603       0.477     -56.000       0.000       0.000       9.231      14.533      -3.682       0.000       0.000       0.000       0.000      17.371     -24.871       0.000
+     75600         755.50      40.730     -25.048      15.682       0.186     402.124     300.000       7.054    0      -41.119      39.287     -75.998     -25.759      56.569      15.677       0.608     -55.652       0.000       0.000       8.756      14.754      -2.688       0.000       0.000       0.000       0.000      12.993     -28.484       0.000
+     75700         756.50      46.658     -30.979      15.679       0.182     460.657     300.000       7.070    0      -40.061      38.297     -75.395     -29.204      41.616      15.836       0.878     -55.213       0.000       0.000       8.496      14.959      -2.188       0.000       0.000       0.000       0.000      11.506     -27.951       0.000
+     75800         757.50      34.857     -19.175      15.681       0.137     344.139     300.000       7.090    0      -39.000      38.580     -75.633     -25.112      39.329      15.950       0.988     -55.147       0.000       0.000       8.556      14.919      -1.622       0.000       0.000       0.000       0.000      16.251     -25.247       0.000
+     75900         758.50      38.667     -22.985      15.682       0.092     381.765     300.000       7.092    0      -38.716      39.887     -76.740     -27.155      48.813      15.943       1.056     -56.436       0.000       0.000       8.353      14.952      -0.834       0.000       0.000       0.000       0.000      11.343     -24.143       0.000
+     76000         759.50      37.200     -21.518      15.682       0.139     367.277     300.000       7.097    0      -39.002      39.870     -77.361     -25.874      44.949      15.733       1.381     -57.053       0.000       0.000       7.566      15.081      -0.599       0.000       0.000       0.000       0.000      12.823     -24.677       0.000
+     76100         760.50      35.007     -19.324      15.683       0.085     345.623     300.000       7.094    0      -39.691      38.400     -76.891     -27.625      72.866      15.574       1.807     -57.158       0.000       0.000       6.827      15.459      -1.656       0.000       0.000       0.000       0.000      15.835     -29.553       0.000
+     76200         761.50      38.878     -23.199      15.680       0.104     383.847     300.000       7.079    0      -40.032      39.741     -80.610     -25.221      81.808      15.449       1.935     -59.905       0.000       0.000       6.908      15.847      -2.072       0.000       0.000       0.000       0.000       9.417     -28.039       0.000
+     76300         762.50      40.392     -24.712      15.680       0.193     398.794     300.000       7.063    0      -41.504      42.128     -85.202     -26.831      91.860      15.496       1.913     -63.716       0.000       0.000       6.685      16.438      -2.251       0.000       0.000       0.000       0.000      10.155     -26.711       0.000
+     76400         763.50      39.687     -24.006      15.681       0.129     391.831     300.000       7.058    0      -41.192      43.370     -88.694     -28.111      85.527      15.989       1.903     -66.361       0.000       0.000       5.808      17.281      -3.584       0.000       0.000       0.000       0.000      12.815     -23.163       0.000
+     76500         764.50      36.018     -20.336      15.682       0.123     355.608     300.000       7.033    0      -41.290      46.162     -96.021     -26.433      88.798      16.284       1.909     -71.393       0.000       0.000       5.211      18.257      -4.724       0.000       0.000       0.000       0.000      14.545     -12.680       0.000
+     76600         765.50      39.008     -23.325      15.683       0.225     385.127     300.000       7.010    0      -41.770      47.825    -101.438     -24.887      51.656      16.056       1.870     -74.681       0.000       0.000       5.664      18.546      -4.387       0.000       0.000       0.000       0.000      18.071      -5.821       0.000
+     76700         766.50      38.047     -22.363      15.684       0.104     375.639     300.000       6.976    0      -42.307      48.200    -103.320     -23.512      73.966      16.329       1.453     -76.192       0.000       0.000       4.883      18.831      -4.594       0.000       0.000       0.000       0.000      15.917      -6.350       0.000
+     76800         767.50      35.159     -19.478      15.681       0.172     347.127     300.000       6.960    0      -41.551      48.429    -105.469     -20.069      88.652      16.495       1.039     -77.836       0.000       0.000       4.833      19.184      -4.327       0.000       0.000       0.000       0.000      12.276      -0.822       0.000
+     76900         768.50      35.599     -19.916      15.683       0.095     351.470     300.000       6.945    0      -42.013      48.953    -107.051     -21.867      67.960      16.690       1.285     -79.685       0.000       0.000       4.675      19.722      -3.993       0.000       0.000       0.000       0.000      16.902       0.794       0.000
+     77000         769.50      39.257     -23.575      15.683       0.140     387.590     300.000       6.945    0      -39.594      48.172    -104.417     -25.285      56.321      16.776       1.716     -77.955       0.000       0.000       4.698      19.587      -4.683       0.000       0.000       0.000       0.000      15.189      -7.830       0.000
+     77100         770.50      43.960     -28.279      15.681       0.091     434.021     300.000       6.902    0      -42.361      49.153    -104.473     -24.422      60.824      17.278       1.367     -77.767       0.000       0.000       4.428      19.818      -6.400       0.000       0.000       0.000       0.000      11.217      -7.531       0.000
+     77200         771.50      46.062     -30.384      15.678       0.172     454.770     300.000       6.859    0      -42.371      48.944    -106.361     -24.134      65.470      17.928       0.989     -78.751       0.000       0.000       3.034      20.395      -7.146       0.000       0.000       0.000       0.000       9.252      -8.037       0.000
+     77300         772.50      40.408     -24.725      15.683       0.108     398.954     300.000       6.837    0      -43.082      47.560    -108.028     -24.066      73.706      18.490       1.017     -79.634       0.000       0.000       1.318      21.205      -5.927       0.000       0.000       0.000       0.000      15.047      -6.924       0.000
+     77400         773.50      33.011     -17.326      15.685       0.161     325.915     300.000       6.806    0      -43.104      48.205    -111.546     -21.926      77.943      19.450       0.818     -80.851       0.000       0.000      -0.827      22.403      -6.464       0.000       0.000       0.000       0.000      17.053       5.328       0.000
+     77500         774.50      34.906     -19.224      15.682       0.163     344.630     300.000       6.800    0      -42.902      47.963    -111.751     -21.406      80.606      20.021       0.441     -80.519       0.000       0.000      -1.763      22.764      -6.744       0.000       0.000       0.000       0.000      13.423       5.402       0.000
+     77600         775.50      44.065     -28.387      15.678       0.121     435.054     300.000       6.771    0      -42.216      46.487    -109.434     -22.826      60.788      20.242       0.668     -79.790       0.000       0.000      -2.357      22.891      -6.434       0.000       0.000       0.000       0.000       8.525      -4.230       0.000
+     77700         776.50      43.249     -27.569      15.680       0.181     426.997     300.000       6.745    0      -41.531      44.611    -105.004     -24.760      51.510      20.453       0.793     -77.288       0.000       0.000      -2.177      22.701      -5.401       0.000       0.000       0.000       0.000      10.941     -13.687       0.000
+     77800         777.50      40.434     -24.753      15.681       0.106     399.209     300.000       6.715    0      -39.956      44.090    -104.686     -26.369      58.321      20.749       0.742     -78.181       0.000       0.000      -1.784      22.847      -5.403       0.000       0.000       0.000       0.000      12.580     -14.205       0.000
+     77900         778.50      41.027     -25.345      15.682       0.098     405.063     300.000       6.664    0      -40.989      43.780    -102.737     -28.495      57.357      21.193       0.550     -76.998       0.000       0.000      -1.543      23.163      -5.169       0.000       0.000       0.000       0.000      13.786     -18.923       0.000
+     78000         779.49      36.448     -20.783      15.665       0.165     359.856     300.000       6.625    0      -39.859      43.922    -103.224     -27.408      62.735      21.712       0.045     -77.341       0.000       0.000      -0.903      23.692      -4.741       0.000       0.000       0.000       0.000      13.465     -18.942       0.000
+     78100         780.49      39.425     -23.761      15.664       0.146     389.240     300.000       6.585    0      -40.821      45.471    -105.966     -29.029      77.692      21.379      -0.160     -79.458       0.000       0.000      -1.110      24.060      -4.285       0.000       0.000       0.000       0.000      11.144     -14.086       0.000
+     78200         781.49      36.891     -21.228      15.664       0.090     364.230     300.000       6.560    0      -40.673      47.868    -110.429     -29.418      84.024      20.417       0.655     -82.568       0.000       0.000      -1.422      24.199      -2.856       0.000       0.000       0.000       0.000      11.665      -1.481       0.000
+     78300         782.49      41.322     -25.659      15.663       0.138     407.977     300.000       6.520    0      -40.624      48.497    -111.908     -31.372      65.298      20.114       1.021     -83.586       0.000       0.000      -0.825      24.441      -2.624       0.000       0.000       0.000       0.000      12.878      -6.586       0.000
+     78400         783.49      41.469     -25.803      15.666       0.159     409.422     300.000       6.458    0      -42.616      51.265    -117.829     -29.979      60.753      19.898       1.205     -87.000       0.000       0.000      -0.203      25.264      -2.694       0.000       0.000       0.000       0.000      15.115     -11.376       0.000
+     78500         784.49      40.386     -24.725      15.661       0.094     398.737     300.000       6.400    0      -42.143      55.411    -126.360     -32.106      73.549      19.758       1.342     -90.666       0.000       0.000      -0.480      26.388      -2.023       0.000       0.000       0.000       0.000      13.457      -0.177       0.000
+     78600         785.49      41.316     -25.656      15.660       0.199     407.916     300.000       6.343    0      -44.100      56.637    -131.694     -31.095      91.338      20.112       0.881     -93.205       0.000       0.000      -1.424      27.390      -2.427       0.000       0.000       0.000       0.000      12.328       4.257       0.000
+     78700         786.49      34.640     -18.980      15.661       0.149     342.004     300.000       6.307    0      -44.568      58.221    -135.796     -28.351     116.511      20.569       0.461     -97.313       0.000       0.000      -2.231      27.758      -3.130       0.000       0.000       0.000       0.000      13.286      13.351       0.000
+     78800         787.49      41.775     -26.116      15.659       0.108     412.442     300.000       6.304    0      -44.234      57.637    -134.825     -31.125     104.903      20.296       0.574     -98.255       0.000       0.000      -2.581      27.530      -2.896       0.000       0.000       0.000       0.000      12.804       6.559       0.000
+     78900         788.49      40.084     -24.426      15.658       0.090     395.751     300.000       6.303    0      -44.230      59.293    -134.247     -30.826     102.397      20.433       0.846     -98.646       0.000       0.000      -2.344      27.490      -1.822       0.000       0.000       0.000       0.000      10.415       5.473       0.000
+     79000         789.49      42.322     -26.662      15.660       0.212     417.846     300.000       6.289    0      -42.078      58.119    -132.159     -29.831      67.774      20.596       0.389     -98.132       0.000       0.000      -2.213      27.035      -1.015       0.000       0.000       0.000       0.000      11.108       0.348       0.000
+     79100         790.49      38.230     -22.569      15.661       0.186     377.450     300.000       6.293    0      -40.997      56.630    -128.219     -27.999      63.518      20.615       0.060     -94.787       0.000       0.000      -2.401      26.554      -1.271       0.000       0.000       0.000       0.000      12.026      -0.269       0.000
+     79200         791.49      38.677     -23.018      15.659       0.097     381.855     300.000       6.314    0      -42.116      54.844    -126.615     -29.529      93.438      20.851       0.133     -91.103       0.000       0.000      -2.762      26.751      -3.052       0.000       0.000       0.000       0.000      10.031       3.041       0.000
+     79300         792.49      34.561     -18.899      15.662       0.195     341.223     300.000       6.350    0      -42.436      53.019    -123.142     -27.939      89.249      20.926       0.349     -87.603       0.000       0.000      -3.059      26.599      -3.720       0.000       0.000       0.000       0.000      13.187      -1.834       0.000
+     79400         793.49      42.594     -26.934      15.660       0.125     420.534     300.000       6.400    0      -43.107      50.399    -117.914     -29.143      75.250      20.983       0.554     -84.149       0.000       0.000      -3.449      26.064      -4.694       0.000       0.000       0.000       0.000      10.866     -10.903       0.000
+     79500         794.49      39.189     -23.526      15.663       0.171     386.915     300.000       6.426    0      -42.853      49.185    -115.965     -28.243      59.216      21.567       0.437     -82.962       0.000       0.000      -3.993      25.851      -5.087       0.000       0.000       0.000       0.000      15.178     -10.060       0.000
+     79600         795.48      32.808     -17.161      15.647       0.153     323.912     300.000       6.446    0      -42.910      48.234    -113.129     -27.258      78.776      21.906       0.128     -80.530       0.000       0.000      -3.970      25.307      -4.955       0.000       0.000       0.000       0.000      16.817     -13.708       0.000
+     79700         796.48      40.628     -24.985      15.644       0.222     401.126     300.000       6.472    0      -42.527      47.530    -111.336     -27.921      68.523      21.523       0.953     -79.702       0.000       0.000      -4.507      24.821      -5.372       0.000       0.000       0.000       0.000      11.261     -15.767       0.000
+     79800         797.48      38.077     -22.433      15.644       0.128     375.935     300.000       6.526    0      -41.781      45.292    -105.566     -27.048      69.159      21.351       1.107     -75.992       0.000       0.000      -4.878      23.860      -4.950       0.000       0.000       0.000       0.000      11.877     -23.026       0.000
+     79900         798.44      36.154     -20.519      15.635       0.106     356.951     300.000       6.570    0      -40.666      43.727    -101.230     -28.161      70.669      21.439       1.019     -73.263       0.000       0.000      -4.878      23.325      -4.996       0.000       0.000       0.000       0.000      12.876     -26.993       0.000
+     80000         799.44      30.772     -15.137      15.635       0.129     303.816     300.000       6.613    0      -39.997      43.263     -98.607     -27.508      79.259      21.490       0.781     -71.893       0.000       0.000      -4.774      23.017      -4.607       0.000       0.000       0.000       0.000      13.693     -24.240       0.000
+     80100         800.44      30.074     -14.438      15.636       0.113     296.925     300.000       6.679    0      -38.817      41.083     -93.877     -29.236      83.443      21.280       0.954     -68.719       0.000       0.000      -4.617      22.406      -4.605       0.000       0.000       0.000       0.000      14.694     -30.697       0.000
+     80200         801.44      37.245     -21.609      15.636       0.238     367.720     300.000       6.711    0      -38.946      40.296     -92.209     -30.990      76.781      21.038       1.199     -67.541       0.000       0.000      -4.569      22.232      -5.187       0.000       0.000       0.000       0.000      11.689     -35.874       0.000
+     80300         802.44      37.089     -21.453      15.636       0.174     366.182     300.000       6.750    0      -38.568      40.903     -94.574     -31.175      67.178      20.958       0.856     -68.560       0.000       0.000      -4.219      22.635      -6.011       0.000       0.000       0.000       0.000      14.310     -31.789       0.000
+     80400         803.44      35.847     -20.212      15.636       0.124     353.922     300.000       6.756    0      -39.880      43.721    -100.169     -30.337      72.046      20.817       0.897     -71.573       0.000       0.000      -4.227      23.238      -7.341       0.000       0.000       0.000       0.000      15.597     -24.145       0.000
+     80500         804.44      46.711     -31.079      15.631       0.108     461.175     300.000       6.740    0      -40.691      45.210    -102.536     -30.967      54.364      20.442       0.997     -74.218       0.000       0.000      -4.709      23.004      -6.891       0.000       0.000       0.000       0.000      10.639     -24.168       0.000
+     80600         805.43      49.269     -33.642      15.626       0.156     486.431     300.000       6.742    0      -42.455      45.704    -103.355     -31.075      57.273      20.039       1.639     -76.839       0.000       0.000      -4.977      22.769      -5.174       0.000       0.000       0.000       0.000      10.105     -23.954       0.000
+     80700         806.43      47.300     -31.675      15.625       0.178     466.998     300.000       6.737    0      -42.099      47.959    -107.741     -32.579      82.840      19.569       1.607     -81.039       0.000       0.000      -5.290      22.997      -4.200       0.000       0.000       0.000       0.000      10.223     -21.523       0.000
+     80800         807.43      39.280     -23.652      15.628       0.093     387.812     300.000       6.716    0      -41.125      51.324    -115.106     -31.468      82.842      19.079       1.492     -87.157       0.000       0.000      -5.482      23.066      -2.744       0.000       0.000       0.000       0.000      17.441     -13.995       0.000
+     80900         808.43      33.651     -18.019      15.632       0.176     332.235     300.000       6.713    0      -41.110      53.070    -119.513     -27.508      94.525      19.046       1.347     -91.677       0.000       0.000      -5.319      23.060      -1.508       0.000       0.000       0.000       0.000      17.276      -4.009       0.000
+     81000         809.43      39.450     -23.824      15.626       0.147     389.491     300.000       6.713    0      -41.946      55.281    -125.266     -27.712      94.704      19.143       1.330     -96.878       0.000       0.000      -5.429      23.462      -0.360       0.000       0.000       0.000       0.000      11.741      16.251       0.000
+     81100         810.43      41.807     -26.180      15.627       0.106     412.764     300.000       6.726    0      -41.785      57.081    -131.741     -28.108      64.695      19.048       1.625    -102.449       0.000       0.000      -5.623      24.257       0.319       0.000       0.000       0.000       0.000      14.487      34.953       0.000
+     81200         811.43      38.212     -22.583      15.629       0.102     377.267     300.000       6.723    0      -41.439      58.058    -136.528     -24.899      62.068      19.107       1.647    -106.251       0.000       0.000      -5.360      24.981       0.317       0.000       0.000       0.000       0.000      15.787      41.004       0.000
+     81300         812.43      38.034     -22.409      15.625       0.150     375.513     300.000       6.713    0      -41.161      57.150    -134.353     -23.475      84.929      19.160       1.419    -104.366       0.000       0.000      -4.904      24.476      -0.270       0.000       0.000       0.000       0.000      11.110      37.817       0.000
+     81400         813.43      39.949     -24.314      15.635       0.156     394.419     300.000       6.721    0      -40.708      55.822    -131.096     -24.851      70.420      18.949       1.445    -101.045       0.000       0.000      -3.791      23.831      -0.989       0.000       0.000       0.000       0.000      13.834      27.356       0.000
+     81500         814.43      34.163     -18.530      15.633       0.158     337.294     300.000       6.717    0      -40.956      56.208    -128.370     -22.917      79.642      18.853       1.624     -97.460       0.000       0.000      -2.769      23.463      -0.999       0.000       0.000       0.000       0.000      13.604      17.860       0.000
+     81600         815.43      37.951     -22.321      15.630       0.157     374.691     300.000       6.711    0      -42.088      55.607    -122.749     -27.454      85.109      18.883       1.481     -92.973       0.000       0.000      -2.706      22.808      -0.608       0.000       0.000       0.000       0.000      13.245       3.675       0.000
+     81700         816.43      39.204     -23.572      15.633       0.249     387.064     300.000       6.736    0      -42.347      52.007    -112.996     -29.496      84.446      19.054       1.002     -86.350       0.000       0.000      -3.018      21.752      -0.272       0.000       0.000       0.000       0.000      14.604     -12.904       0.000
+     81800         817.43      38.696     -23.062      15.634       0.165     382.044     300.000       6.753    0      -42.474      49.469    -107.930     -28.281      72.142      19.194       0.796     -82.662       0.000       0.000      -3.212      21.658      -0.763       0.000       0.000       0.000       0.000      15.808     -17.366       0.000
+     81900         818.43      40.689     -25.056      15.632       0.188     401.721     300.000       6.758    0      -42.568      47.927    -106.611     -31.248      82.075      19.277       1.021     -81.765       0.000       0.000      -4.278      22.084      -1.709       0.000       0.000       0.000       0.000      16.300     -16.543       0.000
+     82000         819.40      34.736     -19.236      15.500       0.201     342.953     300.000       6.762    0      -41.243      47.945    -105.465     -27.483      88.432      19.265       1.179     -80.296       0.000       0.000      -5.013      22.205      -2.762       0.000       0.000       0.000       0.000      13.659     -14.311       0.000
+     82100         820.40      37.831     -22.327      15.504       0.190     373.504     300.000       6.754    0      -41.444      47.822    -104.146     -30.819      62.441      19.448       0.444     -78.393       0.000       0.000      -4.693      22.146      -3.989       0.000       0.000       0.000       0.000      19.179     -16.286       0.000
+     82200         821.40      37.501     -21.998      15.503       0.092     370.245     300.000       6.730    0      -41.971      48.862    -105.134     -29.197      67.941      19.634      -0.079     -78.513       0.000       0.000      -4.027      22.165      -4.022       0.000       0.000       0.000       0.000      16.802     -15.296       0.000
+     82300         822.40      35.950     -20.450      15.499       0.150     354.931     300.000       6.724    0      -42.105      47.897    -104.088     -29.423     102.928      19.903       0.081     -77.971       0.000       0.000      -3.774      21.900      -2.682       0.000       0.000       0.000       0.000      12.472     -15.987       0.000
+     82400         823.40      34.017     -18.517      15.500       0.271     335.850     300.000       6.706    0      -43.745      48.357    -104.545     -28.250     117.686      20.472      -0.295     -78.914       0.000       0.000      -3.596      22.087      -1.982       0.000       0.000       0.000       0.000      11.466     -15.330       0.000
+     82500         824.40      37.669     -22.167      15.502       0.093     371.909     300.000       6.686    0      -43.716      48.394    -104.972     -29.456      82.430      20.444      -0.627     -79.910       0.000       0.000      -3.532      22.206      -2.304       0.000       0.000       0.000       0.000      16.544     -18.934       0.000
+     82600         825.40      41.756     -26.254      15.501       0.106     412.254     300.000       6.693    0      -42.478      47.847    -105.014     -31.620      71.632      20.097      -0.298     -79.884       0.000       0.000      -4.112      22.124      -1.893       0.000       0.000       0.000       0.000      15.815     -17.110       0.000
+     82700         826.40      41.746     -26.248      15.498       0.097     412.157     300.000       6.710    0      -42.368      49.112    -109.106     -28.420      70.507      19.449       0.027     -82.356       0.000       0.000      -4.412      22.476      -0.850       0.000       0.000       0.000       0.000      12.279      -4.408       0.000
+     82800         827.40      45.993     -30.497      15.496       0.208     454.094     300.000       6.730    0      -42.676      49.760    -113.143     -29.263      75.597      19.577      -0.101     -85.766       0.000       0.000      -4.319      23.083      -0.251       0.000       0.000       0.000       0.000       9.328       5.085       0.000
+     82900         828.40      34.024     -18.523      15.501       0.180     335.920     300.000       6.757    0      -40.525      48.963    -111.672     -28.650      78.781      19.669      -0.005     -84.461       0.000       0.000      -3.574      22.867      -0.429       0.000       0.000       0.000       0.000      17.197       2.166       0.000
+     83000         829.40      37.940     -22.441      15.500       0.154     374.587     300.000       6.750    0      -41.662      48.068    -108.280     -28.039      66.080      19.481       0.220     -82.946       0.000       0.000      -2.166      22.049       0.576       0.000       0.000       0.000       0.000      15.639      -3.076       0.000
+     83100         830.40      42.232     -26.730      15.501       0.137     416.955     300.000       6.741    0      -41.733      47.488    -108.828     -28.740      66.226      19.333       0.549     -84.282       0.000       0.000      -2.163      22.179       1.488       0.000       0.000       0.000       0.000      13.425      -6.238       0.000
+     83200         831.40      36.040     -20.540      15.500       0.175     355.825     300.000       6.740    0      -39.598      47.505    -110.186     -29.073      92.388      19.052       0.780     -85.526       0.000       0.000      -2.401      22.437       1.057       0.000       0.000       0.000       0.000      14.447      -6.533       0.000
+     83300         832.40      42.767     -27.273      15.494       0.142     422.240     300.000       6.726    0      -40.638      48.670    -111.682     -26.925      92.425      18.572       0.775     -86.590       0.000       0.000      -2.325      22.305       1.653       0.000       0.000       0.000       0.000       6.748      -3.290       0.000
+     83400         833.40      40.733     -25.234      15.499       0.182     402.155     300.000       6.715    0      -42.157      50.030    -115.509     -27.638      92.732      18.239       0.925     -89.046       0.000       0.000      -3.485      22.717       2.009       0.000       0.000       0.000       0.000      12.020       4.510       0.000
+     83500         834.40      49.264     -33.765      15.499       0.151     486.385     300.000       6.724    0      -43.051      49.164    -113.651     -28.293      51.734      18.389       0.777     -87.619       0.000       0.000      -5.526      22.901       1.292       0.000       0.000       0.000       0.000      12.162       2.852       0.000
+     83600         835.40      40.420     -24.918      15.502       0.124     399.067     300.000       6.734    0      -43.147      48.174    -108.807     -25.364      52.504      18.597       0.252     -82.961       0.000       0.000      -6.019      22.731       0.461       0.000       0.000       0.000       0.000      15.904      -4.039       0.000
+     83700         836.40      42.115     -26.614      15.501       0.151     415.806     300.000       6.728    0      -42.788      47.015    -105.253     -29.937      73.014      18.904       0.114     -79.605       0.000       0.000      -6.066      22.670      -0.077       0.000       0.000       0.000       0.000      14.631     -13.686       0.000
+     83800         837.40      39.803     -24.303      15.500       0.117     392.977     300.000       6.718    0      -42.634      47.128    -103.343     -27.442      57.521      19.160       0.499     -77.684       0.000       0.000      -6.232      22.710       0.948       0.000       0.000       0.000       0.000      12.479     -16.066       0.000
+     83900         838.40      39.307     -23.808      15.499       0.130     388.079     300.000       6.728    0      -41.848      46.052    -101.110     -30.620      90.022      19.260       0.320     -76.306       0.000       0.000      -5.464      22.522       0.341       0.000       0.000       0.000       0.000      10.854     -19.606       0.000
+     84000         839.40      36.357     -20.858      15.499       0.070     358.949     300.000       6.744    0      -41.115      45.733     -98.818     -29.944     101.166      19.307       0.348     -74.187       0.000       0.000      -5.511      22.320      -1.597       0.000       0.000       0.000       0.000       9.717     -19.879       0.000
+     84100         840.40      35.692     -20.191      15.501       0.102     352.392     300.000       6.762    0      -42.553      45.231     -99.146     -28.254      84.591      19.171       0.879     -73.559       0.000       0.000      -6.166      22.408      -2.543       0.000       0.000       0.000       0.000      13.475     -16.289       0.000
+     84200         841.39      34.776     -19.302      15.474       0.115     343.343     300.000       6.778    0      -41.767      44.548     -99.157     -27.869      84.964      19.077       1.237     -73.203       0.000       0.000      -6.436      22.284      -2.866       0.000       0.000       0.000       0.000      13.911     -16.962       0.000
+     84300         842.39      41.779     -26.285      15.494       0.192     412.487     300.000       6.766    0      -42.009      44.471     -98.211     -28.713      75.839      19.194       1.272     -73.311       0.000       0.000      -6.328      22.263      -2.668       0.000       0.000       0.000       0.000       9.474     -22.950       0.000
+     84400         843.39      32.469     -16.971      15.498       0.123     320.568     300.000       6.770    0      -42.480      44.075     -97.669     -30.391     120.042      19.116       1.374     -72.983       0.000       0.000      -5.845      22.165      -2.368       0.000       0.000       0.000       0.000      14.378     -25.095       0.000
+     84500         844.39      34.946     -19.447      15.498       0.097     345.019     300.000       6.785    0      -42.227      43.459     -94.980     -31.805     104.664      18.743       1.745     -70.839       0.000       0.000      -5.204      21.814      -2.214       0.000       0.000       0.000       0.000      14.967     -30.483       0.000
+     84600         845.39      41.116     -25.622      15.494       0.178     405.937     300.000       6.810    0      -40.794      43.619     -96.692     -30.178      78.670      18.154       1.876     -71.914       0.000       0.000      -4.350      21.817      -2.170       0.000       0.000       0.000       0.000      11.267     -28.862       0.000
+     84700         846.39      41.667     -26.174      15.493       0.087     411.383     300.000       6.822    0      -39.989      44.032    -101.215     -29.271      79.045      18.055       1.878     -74.115       0.000       0.000      -4.031      22.551      -3.360       0.000       0.000       0.000       0.000      10.784     -20.398       0.000
+     84800         847.39      42.760     -27.265      15.495       0.083     422.170     300.000       6.841    0      -40.443      43.437    -102.160     -28.115      63.992      17.976       1.661     -74.486       0.000       0.000      -3.480      22.885      -4.351       0.000       0.000       0.000       0.000      13.252     -16.258       0.000
+     84900         848.39      38.619     -23.124      15.495       0.103     381.288     300.000       6.853    0      -40.538      45.145    -107.767     -27.132      81.826      18.154       1.406     -77.277       0.000       0.000      -2.379      23.676      -4.363       0.000       0.000       0.000       0.000      13.084      -3.513       0.000
+     85000         849.39      32.004     -16.506      15.498       0.106     315.974     300.000       6.849    0      -40.811      46.803    -112.789     -25.311      84.584      18.430       1.247     -79.730       0.000       0.000      -0.727      24.398      -4.059       0.000       0.000       0.000       0.000      16.390       6.863       0.000
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+     85300         852.39      38.146     -22.649      15.497       0.144     376.613     300.000       6.846    0      -41.514      46.975    -111.118     -25.908      69.465      18.710       1.447     -77.810       0.000       0.000       0.671      24.322      -6.090       0.000       0.000       0.000       0.000      13.305      -0.916       0.000
+     85400         853.39      34.851     -19.357      15.494       0.227     344.082     300.000       6.882    0      -40.684      44.633    -106.291     -26.415      89.760      18.897       1.541     -75.110       0.000       0.000       0.515      23.978      -5.935       0.000       0.000       0.000       0.000      12.504      -6.578       0.000
+     85500         854.39      39.018     -23.528      15.490       0.323     385.229     300.000       6.901    0      -39.867      43.649    -104.949     -27.613      94.305      18.709       1.663     -74.180       0.000       0.000       0.833      23.625      -5.955       0.000       0.000       0.000       0.000       9.217     -10.244       0.000
+     85600         855.39      35.035     -19.537      15.499       0.083     345.905     300.000       6.880    0      -40.325      46.632    -110.277     -28.307      99.801      18.701       1.601     -76.834       0.000       0.000       1.427      23.949      -6.453       0.000       0.000       0.000       0.000      12.941      -3.384       0.000
+     85700         856.39      34.164     -18.665      15.499       0.140     337.302     300.000       6.879    0      -39.424      47.241    -110.456     -28.890      94.929      18.873       1.362     -76.868       0.000       0.000       2.007      23.858      -6.211       0.000       0.000       0.000       0.000      12.941      -1.500       0.000
+     85800         857.39      40.124     -24.627      15.497       0.134     396.149     300.000       6.891    0      -40.213      46.040    -107.266     -30.027      95.466      19.070       1.310     -76.418       0.000       0.000       1.720      23.585      -5.377       0.000       0.000       0.000       0.000       8.958      -6.956       0.000
+     85900         858.39      42.292     -26.795      15.498       0.126     417.551     300.000       6.931    0      -40.350      43.996    -102.346     -30.585      77.262      18.772       1.338     -74.299       0.000       0.000       1.186      22.822      -4.557       0.000       0.000       0.000       0.000      11.617     -14.359       0.000
+     86000         859.39      41.489     -25.991      15.498       0.162     409.622     300.000       6.957    0      -39.357      43.179     -99.673     -28.829      74.409      18.240       1.679     -72.863       0.000       0.000       0.146      22.318      -3.759       0.000       0.000       0.000       0.000       9.612     -16.871       0.000
+     86100         860.39      39.423     -23.924      15.500       0.085     389.229     300.000       6.965    0      -39.826      43.008     -99.964     -29.512      80.515      18.118       1.842     -72.564       0.000       0.000      -0.715      22.380      -3.328       0.000       0.000       0.000       0.000      12.147     -16.542       0.000
+     86200         861.39      38.512     -23.010      15.502       0.128     380.226     300.000       6.956    0      -40.871      42.876     -98.898     -28.859      88.747      18.013       1.855     -71.204       0.000       0.000      -1.031      22.061      -4.167       0.000       0.000       0.000       0.000      12.962     -19.817       0.000
+     86300         862.39      31.039     -15.537      15.502       0.125     306.450     300.000       6.924    0      -39.862      43.692     -99.262     -28.257     111.491      18.055       1.325     -71.206       0.000       0.000      -0.895      21.801      -4.641       0.000       0.000       0.000       0.000      15.175     -20.240       0.000
+     86400         863.39      34.654     -19.152      15.502       0.187     342.143     300.000       6.896    0      -40.184      43.548     -96.770     -30.486     113.709      18.646       0.368     -70.235       0.000       0.000      -0.980      21.573      -4.364       0.000       0.000       0.000       0.000      12.991     -22.379       0.000
+     86500         864.39      38.994     -23.492      15.501       0.071     384.985     300.000       6.897    0      -41.191      43.034     -95.040     -29.968      89.615      19.018       0.094     -69.909       0.000       0.000      -1.493      21.538      -4.569       0.000       0.000       0.000       0.000      12.695     -21.860       0.000
+     86600         865.36      39.650     -24.181      15.469       0.120     391.470     300.000       6.902    0      -41.016      44.813     -98.726     -29.184      59.448      18.635       0.400     -72.726       0.000       0.000      -2.739      21.940      -4.599       0.000       0.000       0.000       0.000      15.586     -12.836       0.000
+     86700         866.36      38.652     -23.185      15.467       0.110     381.611     300.000       6.884    0      -39.802      47.304    -102.404     -28.316      77.493      18.016       1.077     -74.944       0.000       0.000      -4.216      22.023      -4.131       0.000       0.000       0.000       0.000       8.929       1.759       0.000
+     86800         867.36      32.837     -17.371      15.466       0.117     324.199     300.000       6.866    0      -41.024      47.350    -103.626     -27.228     118.790      17.727       1.463     -75.600       0.000       0.000      -4.903      21.637      -3.677       0.000       0.000       0.000       0.000       9.173       8.593       0.000
+     86900         868.36      43.101     -27.634      15.467       0.180     425.538     300.000       6.844    0      -43.742      45.887    -100.589     -26.208      98.717      17.679       1.084     -74.026       0.000       0.000      -4.218      20.845      -4.475       0.000       0.000       0.000       0.000       8.559      -8.477       0.000
+     87000         869.36      43.397     -27.930      15.467       0.138     428.461     300.000       6.829    0      -42.087      46.099     -98.714     -27.716      89.954      17.843       0.419     -72.867       0.000       0.000      -2.491      20.106      -3.518       0.000       0.000       0.000       0.000       9.174     -18.411       0.000
+     87100         870.36      38.061     -22.594      15.467       0.139     375.776     300.000       6.790    0      -42.870      49.067    -101.244     -27.043     110.550      18.364      -0.081     -74.567       0.000       0.000      -1.543      20.147      -2.865       0.000       0.000       0.000       0.000       8.201     -16.997       0.000
+     87200         871.36      38.854     -23.389      15.466       0.144     383.612     300.000       6.759    0      -44.218      50.140    -103.352     -27.948     119.096      18.521       0.100     -75.841       0.000       0.000      -1.767      20.219      -3.202       0.000       0.000       0.000       0.000       8.323     -13.171       0.000
+     87300         872.36      35.856     -20.388      15.468       0.088     354.004     300.000       6.738    0      -42.095      49.015    -103.451     -26.048     105.666      18.300       0.502     -76.813       0.000       0.000      -2.236      20.181      -3.534       0.000       0.000       0.000       0.000      11.299     -16.536       0.000
+     87400         873.36      34.851     -19.384      15.467       0.070     344.086     300.000       6.746    0      -43.039      48.097    -103.847     -23.417     118.196      18.070       0.987     -78.439       0.000       0.000      -2.343      20.295      -3.031       0.000       0.000       0.000       0.000      10.265     -17.303       0.000
+     87500         874.36      41.869     -26.405      15.464       0.095     413.374     300.000       6.764    0      -41.259      46.913    -103.486     -28.925     118.173      17.966       1.272     -79.042       0.000       0.000      -3.246      20.553      -2.912       0.000       0.000       0.000       0.000       7.920     -13.189       0.000
+     87600         875.36      44.797     -29.329      15.468       0.108     442.282     300.000       6.772    0      -42.920      48.890    -108.991     -28.192      82.380      17.785       1.324     -83.003       0.000       0.000      -3.330      21.266      -2.887       0.000       0.000       0.000       0.000      12.064       1.973       0.000
+     87700         876.36      41.603     -26.136      15.467       0.113     410.750     300.000       6.784    0      -41.874      48.102    -107.678     -27.675      74.147      17.815       1.174     -81.508       0.000       0.000      -2.398      21.151      -2.905       0.000       0.000       0.000       0.000      14.725      -0.018       0.000
+     87800         877.36      37.827     -22.360      15.467       0.159     373.472     300.000       6.772    0      -41.031      48.191    -104.796     -28.036      97.344      18.053       0.997     -79.605       0.000       0.000      -1.732      20.878      -2.612       0.000       0.000       0.000       0.000      11.688      -6.557       0.000
+     87900         878.36      37.021     -21.552      15.468       0.136     365.505     300.000       6.770    0      -41.349      48.624    -105.787     -29.161     106.389      18.386       0.636     -80.723       0.000       0.000      -0.756      20.818      -1.894       0.000       0.000       0.000       0.000      12.301      -3.840       0.000
+     88000         879.36      35.493     -20.027      15.466       0.166     350.428     300.000       6.766    0      -39.974      48.088    -103.352     -27.240     100.373      18.133       0.906     -79.784       0.000       0.000      -1.098      20.162      -1.367       0.000       0.000       0.000       0.000      11.160     -10.889       0.000
+     88100         880.36      36.738     -21.272      15.466       0.121     362.715     300.000       6.770    0      -41.417      47.883    -100.897     -26.464      94.687      18.003       1.184     -78.343       0.000       0.000      -1.505      19.855      -2.254       0.000       0.000       0.000       0.000      11.339     -15.183       0.000
+     88200         881.31      39.656     -24.214      15.442       0.122     391.527     300.000       6.819    0      -40.496      45.568     -95.250     -27.461      73.279      18.121       1.252     -73.633       0.000       0.000      -1.909      19.327      -3.044       0.000       0.000       0.000       0.000      11.512     -23.792       0.000
+     88300         882.31      34.601     -19.159      15.442       0.195     341.617     300.000       6.867    0      -40.506      44.861     -92.724     -28.406     102.713      17.983       1.383     -70.727       0.000       0.000      -1.625      19.284      -4.069       0.000       0.000       0.000       0.000      11.585     -22.597       0.000
+     88400         883.31      34.877     -19.439      15.439       0.090     344.343     300.000       6.879    0      -40.563      45.441     -90.361     -24.764      66.709      17.774       1.323     -69.380       0.000       0.000      -0.694      18.915      -3.792       0.000       0.000       0.000       0.000      10.976     -25.078       0.000
+     88500         884.31      36.160     -20.721      15.439       0.119     357.013     300.000       6.873    0      -41.317      45.265     -89.235     -28.923      71.338      18.021       0.830     -68.085       0.000       0.000       0.136      18.812      -3.941       0.000       0.000       0.000       0.000      14.386     -28.134       0.000
+     88600         885.31      32.757     -17.316      15.441       0.130     323.406     300.000       6.852    0      -42.077      45.538     -90.820     -27.090      82.071      18.239       0.412     -68.604       0.000       0.000       1.071      19.052      -3.490       0.000       0.000       0.000       0.000      15.015     -25.790       0.000
+     88700         886.31      36.977     -21.539      15.439       0.105     365.079     300.000       6.854    0      -40.731      44.785     -95.662     -27.005      66.906      18.145       0.531     -71.093       0.000       0.000       0.750      19.966      -3.470       0.000       0.000       0.000       0.000      14.091     -12.809       0.000
+     88800         887.31      37.966     -22.529      15.437       0.165     374.841     300.000       6.871    0      -39.668      44.412     -97.013     -26.561      58.277      18.014       0.610     -71.035       0.000       0.000      -0.373      20.189      -3.755       0.000       0.000       0.000       0.000      13.000      -2.053       0.000
+     88900         888.31      39.138     -23.701      15.438       0.112     386.415     300.000       6.867    0      -41.178      44.657     -96.975     -25.626      66.109      17.890       0.858     -71.268       0.000       0.000      -2.239      20.284      -3.830       0.000       0.000       0.000       0.000      11.501      -4.166       0.000
+     89000         889.31      36.552     -21.112      15.440       0.186     360.877     300.000       6.885    0      -43.322      44.652     -97.355     -23.686      67.836      17.791       0.880     -71.611       0.000       0.000      -2.711      19.980      -3.343       0.000       0.000       0.000       0.000      15.317      -3.843       0.000
+     89100         890.31      40.281     -24.840      15.440       0.092     397.691     300.000       6.902    0      -41.901      43.662     -95.432     -25.751      52.174      17.833       0.808     -70.765       0.000       0.000      -2.356      19.724      -3.057       0.000       0.000       0.000       0.000      15.533     -11.879       0.000
+     89200         891.31      41.596     -26.159      15.437       0.067     410.675     300.000       6.924    0      -42.830      43.625     -94.044     -26.370      64.213      17.564       0.979     -69.122       0.000       0.000      -1.865      19.843      -3.168       0.000       0.000       0.000       0.000      13.038     -15.381       0.000
+     89300         892.31      46.082     -30.647      15.435       0.113     454.969     300.000       6.908    0      -44.027      43.569     -92.905     -27.749      58.189      17.374       1.164     -67.866       0.000       0.000      -2.264      19.911      -3.867       0.000       0.000       0.000       0.000      12.311     -18.511       0.000
+     89400         893.31      36.884     -21.445      15.439       0.139     364.156     300.000       6.920    0      -42.845      41.354     -87.139     -24.966      71.646      17.364       1.126     -64.020       0.000       0.000      -2.561      19.331      -4.018       0.000       0.000       0.000       0.000      14.293     -25.335       0.000
+     89500         894.31      35.054     -19.614      15.440       0.141     346.088     300.000       6.926    0      -41.558      41.135     -86.206     -26.964      74.074      17.643       0.944     -63.013       0.000       0.000      -2.920      19.514      -4.458       0.000       0.000       0.000       0.000      15.372     -26.091       0.000
+     89600         895.31      33.257     -17.817      15.440       0.237     328.348     300.000       6.931    0      -41.892      41.731     -87.938     -25.629      83.502      17.599       1.104     -63.991       0.000       0.000      -2.701      19.888      -4.682       0.000       0.000       0.000       0.000      14.209     -22.691       0.000
+     89700         896.31      37.421     -21.983      15.438       0.167     369.459     300.000       6.925    0      -41.138      41.600     -88.316     -27.609      67.265      17.618       1.546     -63.915       0.000       0.000      -2.741      20.093      -4.680       0.000       0.000       0.000       0.000      13.038     -20.504       0.000
+     89800         897.31      33.590     -18.151      15.438       0.129     331.631     300.000       6.899    0      -38.842      43.368     -91.816     -25.954      56.265      17.714       1.668     -65.900       0.000       0.000      -2.729      20.321      -3.914       0.000       0.000       0.000       0.000      12.101     -13.202       0.000
+     89900         898.31      37.104     -21.666      15.437       0.094     366.326     300.000       6.876    0      -39.096      43.971     -92.542     -24.735      33.365      17.898       1.340     -67.231       0.000       0.000      -1.780      20.444      -5.065       0.000       0.000       0.000       0.000      12.694     -19.781       0.000
+     90000         899.31      37.974     -22.534      15.441       0.245     374.921     300.000       6.888    0      -40.386      43.337     -93.501     -26.742      43.400      18.246       1.187     -68.310       0.000       0.000      -1.088      20.783      -5.519       0.000       0.000       0.000       0.000      15.505     -19.379       0.000
+     90100         900.31      39.358     -23.919      15.439       0.124     388.580     300.000       6.914    0      -40.500      42.489     -94.646     -26.794      67.884      18.141       2.044     -68.977       0.000       0.000      -1.437      21.025      -6.083       0.000       0.000       0.000       0.000      11.336     -16.231       0.000
+     90200         901.31      35.806     -20.366      15.440       0.133     353.511     300.000       6.928    0      -40.127      41.871     -93.413     -26.813      67.942      18.463       2.196     -68.633       0.000       0.000      -0.471      21.026      -6.628       0.000       0.000       0.000       0.000      13.742     -16.789       0.000
+     90300         902.31      34.503     -19.064      15.439       0.123     340.654     300.000       6.929    0      -39.956      42.775     -92.941     -25.504      64.943      18.624       2.048     -68.278       0.000       0.000       0.225      20.800      -6.794       0.000       0.000       0.000       0.000      12.150     -16.605       0.000
+     90400         903.31      39.986     -24.548      15.439       0.111     394.786     300.000       6.931    0      -39.827      41.268     -92.443     -27.452      52.762      18.433       2.593     -67.809       0.000       0.000       0.154      21.017      -6.308       0.000       0.000       0.000       0.000      11.629     -18.792       0.000
+     90500         904.31      41.896     -26.460      15.436       0.092     413.644     300.000       6.912    0      -40.913      41.044     -93.245     -25.798      45.886      18.329       2.887     -68.299       0.000       0.000       0.275      21.209      -6.377       0.000       0.000       0.000       0.000      11.054     -19.209       0.000
+     90600         905.31      43.895     -28.460      15.435       0.092     433.382     300.000       6.883    0      -41.366      42.245     -94.788     -25.539      59.039      18.140       2.584     -70.450       0.000       0.000      -0.164      21.205      -6.789       0.000       0.000       0.000       0.000       8.870     -22.030       0.000
+     90700         906.31      36.466     -21.028      15.438       0.099     360.033     300.000       6.847    0      -40.543      43.322     -98.334     -24.188      85.228      18.117       2.542     -73.159       0.000       0.000      -1.173      21.782      -6.561       0.000       0.000       0.000       0.000      10.115     -18.429       0.000
+     90800         907.31      31.017     -15.575      15.443       0.079     306.236     300.000       6.813    0      -40.023      43.942    -102.970     -25.271      95.199      18.005       2.666     -75.886       0.000       0.000      -1.191      22.660      -5.502       0.000       0.000       0.000       0.000      14.962     -10.841       0.000
+     90900         908.31      37.945     -22.505      15.439       0.121     374.628     300.000       6.778    0      -40.473      46.135    -108.330     -24.545      82.555      17.865       2.366     -80.424       0.000       0.000      -0.683      23.341      -4.933       0.000       0.000       0.000       0.000      10.931      -7.616       0.000
+     91000         909.31      39.476     -24.037      15.439       0.080     389.746     300.000       6.726    0      -39.865      46.967    -109.826     -23.837      70.774      17.986       1.861     -82.312       0.000       0.000      -0.289      23.568      -4.097       0.000       0.000       0.000       0.000      10.197     -11.184       0.000
+     91100         910.31      37.249     -21.809      15.440       0.083     367.763     300.000       6.686    0      -39.157      47.124    -110.962     -26.088      81.519      18.048       1.611     -82.889       0.000       0.000       1.365      23.772      -3.482       0.000       0.000       0.000       0.000      12.346     -11.188       0.000
+     91200         911.31      34.619     -19.180      15.439       0.181     341.791     300.000       6.654    0      -38.620      47.895    -111.734     -27.923      80.489      18.342       1.169     -82.850       0.000       0.000       2.309      24.105      -1.985       0.000       0.000       0.000       0.000      14.317     -12.048       0.000
+     91300         912.29      41.238     -25.824      15.414       0.153     407.146     300.000       6.637    0      -39.588      47.995    -113.154     -28.008      75.563      18.694       0.926     -83.018       0.000       0.000       0.936      24.771      -1.337       0.000       0.000       0.000       0.000       9.068     -11.259       0.000
+     91400         913.29      37.546     -22.127      15.419       0.138     370.693     300.000       6.610    0      -40.340      48.825    -114.363     -27.672      59.076      18.905       0.768     -84.674       0.000       0.000       0.882      25.065      -1.214       0.000       0.000       0.000       0.000      15.475     -10.210       0.000
+     91500         914.29      34.694     -19.274      15.420       0.080     342.532     300.000       6.597    0      -41.192      49.359    -114.057     -28.861      72.870      19.073       0.357     -84.286       0.000       0.000       1.362      24.935      -0.288       0.000       0.000       0.000       0.000      17.421     -12.159       0.000
+     91600         915.29      31.963     -16.545      15.418       0.159     315.572     300.000       6.572    0      -41.783      51.550    -117.183     -27.335      86.802      19.292       0.173     -86.765       0.000       0.000       1.443      24.987       1.064       0.000       0.000       0.000       0.000      14.691      -4.075       0.000
+     91700         916.29      32.888     -17.470      15.417       0.121     324.701     300.000       6.555    0      -40.373      52.438    -119.645     -27.355      75.269      19.625       0.163     -87.889       0.000       0.000       1.958      25.213       1.535       0.000       0.000       0.000       0.000      12.590       0.968       0.000
+     91800         917.29      38.717     -23.301      15.416       0.108     382.257     300.000       6.542    0      -40.538      52.338    -120.689     -28.983      68.559      19.764      -0.102     -89.568       0.000       0.000       1.601      25.444       1.132       0.000       0.000       0.000       0.000      12.061      -2.819       0.000
+     91900         918.29      35.348     -19.929      15.419       0.170     348.992     300.000       6.528    0      -41.345      52.785    -122.343     -26.376      69.943      19.911      -0.456     -91.785       0.000       0.000       0.488      25.849       0.955       0.000       0.000       0.000       0.000      14.547      -2.116       0.000
+     92000         919.19      40.008     -24.829      15.179       0.122     395.003     300.000       6.507    0      -41.449      55.752    -125.854     -30.556      83.465      19.857      -0.691     -95.590       0.000       0.000       0.569      26.029       1.701       0.000       0.000       0.000       0.000      10.137       9.275       0.000
+     92100         920.19      30.628     -15.445      15.182       0.177     302.388     300.000       6.493    0      -40.029      57.686    -127.689     -29.857      97.903      19.764      -0.837     -95.960       0.000       0.000       0.967      25.824       2.406       0.000       0.000       0.000       0.000      12.274      16.331       0.000
+     92200         921.19      44.224     -29.044      15.179       0.126     436.620     300.000       6.475    0      -41.337      57.048    -129.598     -31.222      82.114      19.794      -0.814     -97.745       0.000       0.000       0.239      26.052       1.796       0.000       0.000       0.000       0.000       8.995       5.438       0.000
+     92300         922.19      43.194     -28.015      15.179       0.102     426.460     300.000       6.473    0      -41.493      57.438    -131.702     -27.869      77.284      19.848      -0.838     -99.979       0.000       0.000      -1.419      26.271       0.568       0.000       0.000       0.000       0.000       9.810       4.324       0.000
+     92400         923.19      39.929     -24.749      15.180       0.103     394.221     300.000       6.493    0      -41.685      55.860    -127.566     -26.483      91.093      20.112      -1.067     -97.856       0.000       0.000      -2.636      25.936      -0.446       0.000       0.000       0.000       0.000      10.425      -4.490       0.000
+     92500         924.19      35.582     -20.400      15.182       0.167     351.305     300.000       6.510    0      -41.328      56.703    -127.557     -27.655      98.325      20.202      -1.222     -98.542       0.000       0.000      -3.312      25.975      -0.988       0.000       0.000       0.000       0.000      13.660      -2.741       0.000
+     92600         925.19      37.652     -22.471      15.181       0.186     371.738     300.000       6.537    0      -42.109      58.542    -130.722     -30.543     110.771      20.296      -1.234    -100.427       0.000       0.000      -4.129      26.442      -1.611       0.000       0.000       0.000       0.000      12.125      10.604       0.000
+     92700         926.19      36.579     -21.399      15.180       0.268     361.147     300.000       6.582    0      -42.916      57.480    -129.594     -30.788     120.774      20.299      -1.023     -99.398       0.000       0.000      -4.000      26.327      -1.386       0.000       0.000       0.000       0.000      13.065      10.693       0.000
+     92800         927.19      46.776     -31.599      15.176       0.224     461.819     300.000       6.595    0      -42.266      58.716    -132.595     -29.796      75.028      20.350      -1.053    -101.446       0.000       0.000      -2.686      26.299      -1.233       0.000       0.000       0.000       0.000       8.470      15.590       0.000
+     92900         928.19      47.531     -32.354      15.177       0.148     469.275     300.000       6.602    0      -41.178      58.686    -131.749     -27.681      41.058      20.618      -1.123    -100.439       0.000       0.000      -1.670      25.867      -1.286       0.000       0.000       0.000       0.000       9.136      10.420       0.000
+     93000         929.19      40.544     -25.364      15.180       0.169     400.297     300.000       6.625    0      -39.864      58.397    -129.421     -29.318      58.469      20.618      -0.824     -97.276       0.000       0.000      -1.523      25.567      -3.404       0.000       0.000       0.000       0.000      12.640       6.884       0.000
+     93100         930.19      37.478     -22.299      15.178       0.113     370.018     300.000       6.647    0      -40.177      57.433    -125.984     -27.075      66.993      20.621      -0.329     -94.856       0.000       0.000      -1.315      24.987      -3.268       0.000       0.000       0.000       0.000      10.611       4.137       0.000
+     93200         931.19      39.393     -24.213      15.180       0.157     388.928     300.000       6.697    0      -41.329      55.570    -123.627     -28.905      61.555      20.733       0.220     -93.792       0.000       0.000      -0.139      24.367      -2.262       0.000       0.000       0.000       0.000      13.060       4.975       0.000
+     93300         932.19      36.870     -21.692      15.178       0.199     364.019     300.000       6.750    0      -39.624      54.186    -121.414     -26.483      70.208      20.715       0.582     -92.364       0.000       0.000       0.029      23.998      -2.851       0.000       0.000       0.000       0.000       9.684       3.971       0.000
+     93400         933.19      46.369     -31.192      15.177       0.135     457.802     300.000       6.806    0      -41.052      51.946    -118.501     -28.784      57.193      20.757       0.952     -90.425       0.000       0.000      -0.919      23.998      -4.353       0.000       0.000       0.000       0.000       8.574      -1.175       0.000
+     93500         934.19      41.750     -26.569      15.181       0.194     412.201     300.000       6.825    0      -40.218      50.867    -118.350     -28.810      57.414      20.604       1.162     -90.143       0.000       0.000      -2.185      24.053      -5.477       0.000       0.000       0.000       0.000      14.780      -4.696       0.000
+     93600         935.19      43.328     -28.147      15.181       0.102     427.774     300.000       6.842    0      -40.503      50.997    -119.360     -28.121      67.235      20.469       1.064     -90.541       0.000       0.000      -3.671      24.123      -6.545       0.000       0.000       0.000       0.000      12.998      -3.409       0.000
+     93700         936.19      41.465     -26.282      15.183       0.166     409.381     300.000       6.836    0      -38.886      52.725    -125.389     -28.038      60.048      20.518       1.260     -95.524       0.000       0.000      -4.877      24.672      -6.194       0.000       0.000       0.000       0.000      15.058       5.539       0.000
+     93800         937.19      42.465     -27.286      15.180       0.089     419.260     300.000       6.834    0      -37.971      55.196    -133.432     -26.316      49.041      20.518       1.555    -101.034       0.000       0.000      -5.402      25.187      -5.912       0.000       0.000       0.000       0.000      12.101      34.461       0.000
+     93900         938.19      42.098     -26.919      15.179       0.213     415.639     300.000       6.844    0      -37.820      54.170    -132.859     -25.354      54.089      20.426       1.783    -100.634       0.000       0.000      -5.026      24.927      -6.873       0.000       0.000       0.000       0.000      12.034      36.262       0.000
+     94000         939.19      37.130     -21.949      15.181       0.127     366.587     300.000       6.865    0      -37.492      51.515    -125.222     -25.907      67.760      20.285       1.976     -94.913       0.000       0.000      -4.803      24.112      -7.170       0.000       0.000       0.000       0.000      15.344      13.844       0.000
+     94100         940.19      42.291     -27.111      15.179       0.123     417.536     300.000       6.886    0      -38.468      51.538    -123.643     -28.257      78.796      20.041       2.418     -93.451       0.000       0.000      -4.819      23.985      -7.598       0.000       0.000       0.000       0.000      11.788       5.869       0.000
+     94200         941.19      41.451     -26.272      15.180       0.099     409.248     300.000       6.901    0      -38.401      51.623    -123.800     -28.279      75.331      20.024       2.692     -92.965       0.000       0.000      -4.448      24.073      -7.342       0.000       0.000       0.000       0.000      12.162       5.495       0.000
+     94300         942.19      43.085     -27.907      15.179       0.203     425.384     300.000       6.922    0      -38.505      51.380    -120.474     -28.483      70.139      20.129       2.423     -89.986       0.000       0.000      -4.400      23.700      -7.648       0.000       0.000       0.000       0.000       9.669       4.119       0.000
+     94400         943.17      46.615     -31.469      15.147       0.075     460.233     300.000       6.966    0      -39.165      48.217    -111.496     -31.811      63.243      19.912       2.782     -83.580       0.000       0.000      -4.075      22.808      -8.430       0.000       0.000       0.000       0.000      11.544     -12.817       0.000
+     94500         944.17      47.023     -31.877      15.146       0.147     464.257     300.000       7.025    0      -38.340      44.978    -103.656     -33.755      71.599      19.575       3.306     -77.493       0.000       0.000      -3.287      21.828      -7.950       0.000       0.000       0.000       0.000      10.356     -25.875       0.000
+     94600         945.17      39.146     -23.997      15.150       0.178     386.493     300.000       7.073    0      -36.849      43.632     -98.355     -32.220      75.657      19.336       3.686     -73.861       0.000       0.000      -2.334      20.878      -7.223       0.000       0.000       0.000       0.000      12.390     -34.122       0.000
+     94700         946.17      38.947     -23.797      15.150       0.177     384.525     300.000       7.089    0      -37.072      43.654     -96.719     -33.833      79.321      19.254       3.865     -72.666       0.000       0.000      -1.041      20.253      -6.824       0.000       0.000       0.000       0.000      13.168     -36.658       0.000
+     94800         947.17      38.047     -22.899      15.148       0.088     375.639     300.000       7.109    0      -37.279      44.854     -97.138     -31.826      72.636      19.240       3.968     -72.519       0.000       0.000      -0.405      19.789      -6.883       0.000       0.000       0.000       0.000      12.001     -36.162       0.000
+     94900         948.17      36.733     -21.587      15.146       0.211     362.669     300.000       7.136    0      -37.856      45.630     -99.123     -32.143      76.556      18.989       4.335     -73.001       0.000       0.000       0.142      19.705      -6.525       0.000       0.000       0.000       0.000      13.639     -33.454       0.000
+     95000         949.17      31.019     -15.871      15.147       0.112     306.247     300.000       7.139    0      -36.565      45.991    -100.276     -30.141      76.068      18.943       4.455     -73.203       0.000       0.000       0.829      19.643      -5.608       0.000       0.000       0.000       0.000      14.825     -31.623       0.000
+     95100         950.17      42.914     -27.766      15.148       0.218     423.688     300.000       7.113    0      -38.472      45.952     -99.058     -32.079      47.764      19.166       4.343     -72.720       0.000       0.000       1.040      19.487      -6.870       0.000       0.000       0.000       0.000      12.839     -38.091       0.000
+     95200         951.17      41.218     -26.070      15.148       0.182     406.947     300.000       7.096    0      -38.642      46.644    -100.416     -31.423      58.617      19.447       3.713     -72.743       0.000       0.000       1.205      20.107      -7.782       0.000       0.000       0.000       0.000      11.987     -37.157       0.000
+     95300         952.17      35.358     -20.208      15.149       0.154     349.088     300.000       7.102    0      -37.841      45.531    -101.158     -34.880      85.990      19.489       3.733     -72.086       0.000       0.000       0.791      20.926      -7.900       0.000       0.000       0.000       0.000      16.508     -33.506       0.000
+     95400         953.17      31.532     -16.382      15.150       0.058     311.319     300.000       7.119    0      -36.817      46.299    -103.686     -34.635      86.865      19.309       4.051     -72.992       0.000       0.000       0.298      21.593      -7.997       0.000       0.000       0.000       0.000      17.283     -23.893       0.000
+     95500         954.17      36.795     -21.648      15.147       0.080     363.275     300.000       7.140    0      -38.968      46.621    -105.660     -33.817      97.906      19.236       3.973     -74.113       0.000       0.000       0.423      21.902      -8.868       0.000       0.000       0.000       0.000      12.876     -15.033       0.000
+     95600         955.17      41.623     -26.477      15.146       0.126     410.948     300.000       7.148    0      -40.194      47.036    -106.113     -31.795      92.115      19.044       4.245     -73.870       0.000       0.000      -0.432      21.885      -9.708       0.000       0.000       0.000       0.000       8.592     -15.152       0.000
+     95700         956.17      44.189     -29.044      15.145       0.098     436.282     300.000       7.144    0      -40.319      47.223    -107.184     -31.472      83.241      19.115       4.488     -74.657       0.000       0.000      -1.012      21.912     -10.203       0.000       0.000       0.000       0.000       8.213     -17.668       0.000
+     95800         957.17      39.736     -24.590      15.146       0.157     392.317     300.000       7.132    0      -38.817      48.411    -110.624     -30.882      92.611      19.304       4.416     -77.332       0.000       0.000      -1.144      22.207     -10.451       0.000       0.000       0.000       0.000       9.385     -15.931       0.000
+     95900         958.17      38.050     -22.901      15.149       0.115     375.672     300.000       7.137    0      -39.870      49.865    -113.136     -30.156      76.112      19.299       4.441     -79.527       0.000       0.000      -1.321      22.293     -11.153       0.000       0.000       0.000       0.000      14.743     -12.834       0.000
+     96000         959.17      36.973     -21.826      15.147       0.131     365.033     300.000       7.148    0      -39.748      50.562    -114.735     -25.674      76.729      19.501       4.166     -80.705       0.000       0.000      -1.419      22.580     -11.006       0.000       0.000       0.000       0.000      10.409     -12.448       0.000
+     96100         960.17      38.976     -23.827      15.149       0.150     384.813     300.000       7.160    0      -39.215      51.061    -114.847     -28.019      62.580      19.885       3.919     -80.429       0.000       0.000      -2.139      23.037     -10.549       0.000       0.000       0.000       0.000      10.729     -14.562       0.000
+     96200         961.17      36.199     -21.048      15.151       0.075     357.391     300.000       7.172    0      -38.943      51.498    -116.626     -30.724      72.295      20.208       3.775     -80.144       0.000       0.000      -3.322      23.725     -10.896       0.000       0.000       0.000       0.000      13.441     -10.190       0.000
+     96300         962.17      33.482     -18.333      15.149       0.135     330.573     300.000       7.185    0      -38.899      51.625    -120.060     -28.422      83.788      20.243       3.709     -81.135       0.000       0.000      -3.479      24.431     -11.412       0.000       0.000       0.000       0.000      12.251       0.771       0.000
+     96400         963.17      32.148     -17.001      15.147       0.140     317.402     300.000       7.206    0      -40.551      53.039    -123.124     -25.833      86.140      19.966       3.851     -83.098       0.000       0.000      -3.019      24.623     -11.186       0.000       0.000       0.000       0.000      12.553       5.141       0.000
+     96500         964.17      37.685     -22.538      15.147       0.069     372.068     300.000       7.231    0      -40.953      52.500    -123.168     -26.186      90.227      19.965       3.672     -84.125       0.000       0.000      -2.629      24.534     -10.366       0.000       0.000       0.000       0.000       8.300       6.469       0.000
+     96600         965.17      38.312     -23.165      15.146       0.125     378.251     300.000       7.262    0      -39.547      50.736    -117.352     -25.367      69.113      19.887       3.749     -81.629       0.000       0.000      -2.593      23.839     -10.686       0.000       0.000       0.000       0.000       8.193      -1.651       0.000
+     96700         966.17      38.541     -23.393      15.148       0.197     380.518     300.000       7.319    0      -40.423      48.109    -110.157     -29.794      69.770      19.661       3.920     -76.648       0.000       0.000      -2.544      22.941     -10.948       0.000       0.000       0.000       0.000      13.887     -10.812       0.000
+     96800         967.17      36.536     -21.388      15.147       0.096     360.720     300.000       7.368    0      -39.420      45.523    -103.257     -29.649      93.309      19.538       4.002     -71.806       0.000       0.000      -1.911      21.938     -10.290       0.000       0.000       0.000       0.000      10.531     -25.007       0.000
+     96900         968.17      36.208     -21.060      15.148       0.086     357.483     300.000       7.411    0      -39.643      45.225    -101.198     -32.457      96.165      19.751       4.092     -70.776       0.000       0.000      -1.576      21.706      -9.595       0.000       0.000       0.000       0.000      12.553     -31.909       0.000
+     97000         969.17      31.319     -16.170      15.149       0.053     309.211     300.000       7.444    0      -39.065      45.634    -101.873     -32.426     110.476      19.975       3.978     -71.287       0.000       0.000      -1.303      21.876      -9.060       0.000       0.000       0.000       0.000      13.338     -31.362       0.000
+     97100         970.16      37.429     -22.302      15.127       0.165     369.542     300.000       7.461    0      -39.956      45.714    -104.389     -32.342     107.457      19.875       4.005     -73.574       0.000       0.000      -0.264      21.939      -8.713       0.000       0.000       0.000       0.000      10.928     -29.759       0.000
+     97200         971.16      37.729     -22.599      15.130       0.133     372.502     300.000       7.439    0      -39.805      48.227    -110.770     -29.027      78.685      19.946       3.755     -77.832       0.000       0.000       0.712      22.363      -8.431       0.000       0.000       0.000       0.000      12.099     -22.594       0.000
+     97300         972.16      40.999     -25.871      15.128       0.041     404.784     300.000       7.418    0      -39.094      49.068    -112.906     -31.779      84.615      19.931       3.675     -79.654       0.000       0.000       1.195      22.469      -8.213       0.000       0.000       0.000       0.000      11.049     -25.149       0.000
+     97400         973.16      42.817     -27.689      15.128       0.141     422.734     300.000       7.422    0      -39.268      50.207    -115.822     -30.161      71.687      19.950       3.410     -81.686       0.000       0.000       2.013      22.793      -7.156       0.000       0.000       0.000       0.000       9.351     -20.598       0.000
+     97500         974.16      39.502     -24.372      15.129       0.156     390.002     300.000       7.449    0      -39.760      50.969    -117.537     -30.094      63.972      20.121       3.180     -82.985       0.000       0.000       2.587      23.334      -7.076       0.000       0.000       0.000       0.000      13.221     -13.327       0.000
+     97600         975.16      42.919     -27.791      15.128       0.191     423.740     300.000       7.507    0      -40.059      47.995    -113.008     -30.073      76.442      20.376       2.645     -80.840       0.000       0.000       2.190      23.298      -7.778       0.000       0.000       0.000       0.000      10.108     -17.320       0.000
+     97700         976.16      36.059     -20.929      15.130       0.075     356.010     300.000       7.540    0      -37.515      48.420    -113.795     -28.984      94.804      20.478       2.317     -81.395       0.000       0.000       1.528      23.516      -8.200       0.000       0.000       0.000       0.000       9.762     -17.379       0.000
+     97800         977.16      41.824     -26.695      15.129       0.110     412.934     300.000       7.571    0      -39.349      48.341    -114.446     -32.314      89.695      20.383       2.720     -81.790       0.000       0.000       1.144      23.526      -8.168       0.000       0.000       0.000       0.000      11.512     -17.994       0.000
+     97900         978.16      40.162     -25.034      15.128       0.143     396.519     300.000       7.620    0      -36.685      45.976    -108.513     -32.883      83.416      20.439       2.610     -78.921       0.000       0.000       0.435      22.887      -7.429       0.000       0.000       0.000       0.000      11.294     -26.784       0.000
+     98000         979.16      44.275     -29.146      15.129       0.053     437.127     300.000       7.655    0      -39.335      47.154    -109.332     -30.402      77.943      20.310       2.703     -79.872       0.000       0.000      -0.408      22.867      -7.832       0.000       0.000       0.000       0.000       8.345     -25.459       0.000
+     98100         980.16      49.103     -33.974      15.129       0.154     484.794     300.000       7.699    0      -39.576      46.829    -108.920     -35.124      77.317      20.184       2.807     -79.926       0.000       0.000      -0.342      22.550      -7.664       0.000       0.000       0.000       0.000       9.887     -23.853       0.000
+     98200         981.16      41.804     -26.675      15.129       0.095     412.730     300.000       7.729    0      -39.547      47.865    -109.725     -33.822     116.210      20.004       3.244     -81.070       0.000       0.000      -0.748      22.354      -7.970       0.000       0.000       0.000       0.000       8.495     -19.216       0.000
+     98300         982.16      38.431     -23.303      15.128       0.123     379.429     300.000       7.757    0      -39.726      48.936    -110.251     -33.316     138.229      19.884       3.280     -82.250       0.000       0.000      -1.467      22.295      -8.123       0.000       0.000       0.000       0.000       7.717     -19.984       0.000
+     98400         983.16      38.577     -23.448      15.129       0.137     380.867     300.000       7.788    0      -37.293      49.940    -113.290     -35.594     126.054      19.848       2.988     -84.363       0.000       0.000      -1.266      22.381      -7.312       0.000       0.000       0.000       0.000       9.572     -14.904       0.000
+     98500         984.16      46.059     -30.930      15.130       0.066     454.744     300.000       7.818    0      -40.530      51.404    -117.922     -30.966      78.123      19.842       2.934     -87.647       0.000       0.000      -0.874      22.520      -6.059       0.000       0.000       0.000       0.000       9.101      -3.908       0.000
+     98600         985.16      48.688     -33.560      15.128       0.176     480.698     300.000       7.843    0      -40.039      51.148    -117.587     -31.712      59.143      19.854       2.898     -89.334       0.000       0.000      -1.171      22.116      -5.277       0.000       0.000       0.000       0.000      11.674     -10.913       0.000
+     98700         986.16      43.582     -28.453      15.128       0.207     430.283     300.000       7.856    0      -41.096      52.926    -119.381     -28.972      90.499      20.007       2.868     -92.459       0.000       0.000      -1.075      21.723      -4.615       0.000       0.000       0.000       0.000       9.604      -9.728       0.000
+     98800         987.16      34.761     -19.631      15.130       0.071     343.194     300.000       7.873    0      -40.071      54.803    -121.445     -30.842     119.376      20.196       2.837     -93.955       0.000       0.000      -0.828      22.122      -5.199       0.000       0.000       0.000       0.000      12.522      -5.983       0.000
+     98900         988.16      35.726     -20.597      15.130       0.079     352.728     300.000       7.899    0      -40.845      54.316    -121.019     -30.949     120.241      20.452       2.542     -92.865       0.000       0.000      -0.772      22.298      -5.362       0.000       0.000       0.000       0.000      12.860     -10.506       0.000
+     99000         989.16      32.885     -17.755      15.130       0.096     324.672     300.000       7.927    0      -42.443      54.772    -121.466     -26.595     114.848      20.427       2.313     -91.452       0.000       0.000      -0.897      22.211      -5.362       0.000       0.000       0.000       0.000      12.974      -7.243       0.000
+     99100         990.16      47.950     -32.823      15.127       0.133     473.416     300.000       7.935    0      -42.536      54.917    -122.986     -32.320      79.686      20.315       2.431     -93.247       0.000       0.000      -1.685      22.443      -5.600       0.000       0.000       0.000       0.000      11.820      -7.217       0.000
+     99200         991.16      41.431     -26.305      15.126       0.129     409.051     300.000       7.951    0      -42.624      57.585    -127.973     -27.883      77.497      20.269       2.715     -96.865       0.000       0.000      -2.700      22.920      -5.356       0.000       0.000       0.000       0.000      11.397      11.019       0.000
+     99300         992.16      46.593     -31.470      15.123       0.152     460.017     300.000       8.000    0      -43.063      55.827    -125.310     -27.683      87.575      20.174       2.889     -95.290       0.000       0.000      -2.933      22.584      -4.407       0.000       0.000       0.000       0.000       6.328      -0.034       0.000
+     99400         993.16      43.884     -28.758      15.126       0.203     433.272     300.000       8.054    0      -42.726      53.626    -121.802     -29.270      97.539      20.220       2.958     -93.331       0.000       0.000      -2.605      22.482      -4.158       0.000       0.000       0.000       0.000       9.474      -6.998       0.000
+     99500         994.16      49.054     -33.927      15.127       0.071     484.309     300.000       8.125    0      -43.710      50.168    -116.085     -33.409      92.392      20.400       3.009     -89.281       0.000       0.000      -3.009      22.550      -4.881       0.000       0.000       0.000       0.000      11.765     -14.929       0.000
+     99600         995.16      41.401     -26.274      15.126       0.126     408.749     300.000       8.173    0      -40.441      48.091    -110.074     -30.661      97.238      20.546       2.976     -85.675       0.000       0.000      -3.475      22.097      -5.291       0.000       0.000       0.000       0.000      10.803     -27.178       0.000
+     99700         996.16      49.636     -34.511      15.125       0.152     490.057     300.000       8.209    0      -42.122      49.032    -111.683     -33.760      89.636      20.413       3.085     -87.119       0.000       0.000      -3.381      22.173      -5.611       0.000       0.000       0.000       0.000       9.941     -26.311       0.000
+     99800         997.16      45.071     -29.944      15.127       0.110     444.988     300.000       8.241    0      -41.273      50.530    -114.899     -31.447      96.336      20.173       3.257     -89.271       0.000       0.000      -3.054      22.647      -6.095       0.000       0.000       0.000       0.000       9.510     -20.705       0.000
+     99900         998.16      35.365     -20.236      15.128       0.079     349.158     300.000       8.260    0      -40.128      50.605    -116.652     -29.520      97.295      20.035       3.304     -89.837       0.000       0.000      -3.086      23.309      -6.513       0.000       0.000       0.000       0.000      15.500     -15.785       0.000
+    100000         999.16      45.560     -30.433      15.126       0.122     449.811     300.000       8.237    0      -41.841      52.553    -119.894     -33.298      90.759      19.996       3.284     -92.448       0.000       0.000      -3.457      23.786      -7.012       0.000       0.000       0.000       0.000      12.556     -11.732       0.000
diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/small_MD000.pdb b/examples/unres/new/microcanonical/DYN_SS/hth/small_MD000.pdb
new file mode 100644
index 0000000..0ccab6c
--- /dev/null
+++ b/examples/unres/new/microcanonical/DYN_SS/hth/small_MD000.pdb
@@ -0,0 +1,10840 @@
+REMARK time    5.00                                       ENERGY    -1.30932E+01
+ATOM      1  CA  GLY     1       0.665   0.207   0.414          0.011
+ATOM      2  CA  ALA     2       4.402   0.090  -0.157          0.004
+ATOM      3  CB  ALA     2       5.004   0.162   0.249          0.055
+ATOM      4  CA  ALA     3       4.804  -3.782  -0.355          0.008
+ATOM      5  CB  ALA     3       5.453  -3.984  -0.702          0.082
+ATOM      6  CA  ALA     4       4.665  -3.842   3.458          0.030
+ATOM      7  CB  ALA     4       5.319  -3.583   3.725          0.062
+ATOM      8  CA  CYS     5       0.811  -3.756   3.360          0.010
+ATOM      9  CB  CYS     5       0.969  -4.069   2.154          0.003
+ATOM     10  CA  ALA     6       0.959  -7.143   5.088          0.009
+ATOM     11  CB  ALA     6       0.861  -7.844   4.794          0.064
+ATOM     12  CA  ALA     7       2.117  -5.416   8.203          0.066
+ATOM     13  CB  ALA     7       2.368  -4.757   8.002          0.116
+ATOM     14  CA  ALA     8      -1.342  -4.054   9.050          0.029
+ATOM     15  CB  ALA     8      -1.772  -3.583   8.636          0.044
+ATOM     16  CA  ALA     9      -2.652  -7.558   8.475          0.043
+ATOM     17  CB  ALA     9      -2.430  -7.916   7.777          0.077
+ATOM     18  CA  ALA    10       0.303  -9.115  10.197          0.005
+ATOM     19  CB  ALA    10       0.912  -8.743   9.993          0.025
+ATOM     20  CA  ALA    11      -0.654 -10.520  13.544          0.001
+ATOM     21  CB  ALA    11       0.016 -10.709  13.787          0.038
+ATOM     22  CA  ALA    12      -1.497  -7.081  14.897          0.001
+ATOM     23  CB  ALA    12      -0.947  -6.664  14.593          0.102
+ATOM     24  CA  ALA    13      -5.105  -6.721  13.889          0.003
+ATOM     25  CB  ALA    13      -5.456  -6.899  14.565          0.006
+ATOM     26  CA  CYS    14      -6.395  -4.775  10.838          0.028
+ATOM     27  CB  CYS    14      -5.926  -4.889   9.730          0.024
+ATOM     28  CA  ALA    15      -9.923  -3.737   9.691          0.022
+ATOM     29  CB  ALA    15     -10.133  -3.671  10.439          0.019
+ATOM     30  CA  ALA    16     -11.010  -1.351   6.949          0.002
+ATOM     31  CB  ALA    16     -10.699  -1.397   6.276          0.074
+ATOM     32  CA  ALA    17     -14.363  -2.995   6.223          0.010
+ATOM     33  CB  ALA    17     -14.846  -3.242   6.786          0.167
+ATOM     34  CA  GLY    18     -16.970  -1.452   3.958          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time    9.99                                       ENERGY    -1.56710E+01
+ATOM      1  CA  GLY     1       1.308   0.426   0.596          0.039
+ATOM      2  CA  ALA     2       4.955  -0.109  -0.610          0.004
+ATOM      3  CB  ALA     2       5.398   0.299  -0.102          0.018
+ATOM      4  CA  ALA     3       4.740  -3.898  -0.707          0.010
+ATOM      5  CB  ALA     3       4.980  -4.616  -0.726          0.015
+ATOM      6  CA  ALA     4       4.914  -3.728   3.081          0.014
+ATOM      7  CB  ALA     4       5.139  -3.283   3.575          0.012
+ATOM      8  CA  CYS     5       1.140  -3.400   3.382          0.025
+ATOM      9  CB  CYS     5       0.999  -3.455   2.169          0.070
+ATOM     10  CA  ALA     6       0.955  -6.710   5.137          0.021
+ATOM     11  CB  ALA     6       1.645  -6.973   5.191          0.013
+ATOM     12  CA  ALA     7       2.046  -5.315   8.490          0.014
+ATOM     13  CB  ALA     7       2.493  -4.642   8.613          0.043
+ATOM     14  CA  ALA     8      -1.628  -4.786   9.371          0.014
+ATOM     15  CB  ALA     8      -2.124  -4.203   9.279          0.077
+ATOM     16  CA  ALA     9      -2.554  -8.226   8.079          0.067
+ATOM     17  CB  ALA     9      -2.827  -8.378   7.367          0.039
+ATOM     18  CA  ALA    10       0.057  -9.727  10.384          0.014
+ATOM     19  CB  ALA    10       0.672  -9.411  10.120          0.038
+ATOM     20  CA  ALA    11      -0.987 -10.363  13.963          0.037
+ATOM     21  CB  ALA    11      -0.652 -10.712  14.446          0.059
+ATOM     22  CA  ALA    12      -1.276  -6.636  14.354          0.048
+ATOM     23  CB  ALA    12      -1.002  -6.185  13.853          0.015
+ATOM     24  CA  ALA    13      -4.931  -6.697  13.322          0.019
+ATOM     25  CB  ALA    13      -5.428  -6.690  13.880          0.012
+ATOM     26  CA  CYS    14      -6.093  -4.098  10.788          0.003
+ATOM     27  CB  CYS    14      -6.121  -4.916   9.908          0.066
+ATOM     28  CA  ALA    15      -9.713  -3.792   9.732          0.002
+ATOM     29  CB  ALA    15     -10.196  -3.591  10.213          0.046
+ATOM     30  CA  ALA    16     -11.424  -1.545   7.207          0.022
+ATOM     31  CB  ALA    16     -11.205  -1.448   6.517          0.030
+ATOM     32  CA  ALA    17     -14.537  -3.497   6.335          0.015
+ATOM     33  CB  ALA    17     -14.653  -3.660   7.119          0.097
+ATOM     34  CA  GLY    18     -16.887  -1.189   4.380          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   14.99                                       ENERGY    -2.20024E+01
+ATOM      1  CA  GLY     1       2.149   1.530   0.006          0.077
+ATOM      2  CA  ALA     2       5.226  -0.228  -1.225          0.042
+ATOM      3  CB  ALA     2       5.899  -0.022  -1.352          0.075
+ATOM      4  CA  ALA     3       4.567  -3.897  -0.563          0.016
+ATOM      5  CB  ALA     3       4.774  -4.013  -1.206          0.006
+ATOM      6  CA  ALA     4       5.146  -3.486   3.265          0.003
+ATOM      7  CB  ALA     4       5.609  -3.084   3.681          0.043
+ATOM      8  CA  CYS     5       1.403  -3.361   3.956          0.008
+ATOM      9  CB  CYS     5       1.023  -3.108   2.816          0.051
+ATOM     10  CA  ALA     6       1.163  -6.934   5.111          0.007
+ATOM     11  CB  ALA     6       1.246  -7.637   4.881          0.041
+ATOM     12  CA  ALA     7       2.185  -6.024   8.638          0.030
+ATOM     13  CB  ALA     7       2.619  -5.486   8.829          0.192
+ATOM     14  CA  ALA     8      -1.423  -5.095   9.480          0.013
+ATOM     15  CB  ALA     8      -1.897  -4.454   9.538          0.024
+ATOM     16  CA  ALA     9      -2.301  -8.513   8.254          0.017
+ATOM     17  CB  ALA     9      -2.147  -8.496   7.533          0.173
+ATOM     18  CA  ALA    10       0.367 -10.128  10.426          0.008
+ATOM     19  CB  ALA    10       0.919  -9.650  10.246          0.040
+ATOM     20  CA  ALA    11      -1.274 -10.175  13.843          0.002
+ATOM     21  CB  ALA    11      -1.219 -10.548  14.452          0.043
+ATOM     22  CA  ALA    12      -1.274  -6.363  13.958          0.030
+ATOM     23  CB  ALA    12      -0.983  -5.907  13.491          0.014
+ATOM     24  CA  ALA    13      -4.984  -6.078  13.185          0.023
+ATOM     25  CB  ALA    13      -5.309  -6.002  13.854          0.069
+ATOM     26  CA  CYS    14      -6.741  -3.940  10.614          0.022
+ATOM     27  CB  CYS    14      -6.231  -4.660   9.736          0.046
+ATOM     28  CA  ALA    15     -10.391  -4.166   9.787          0.022
+ATOM     29  CB  ALA    15     -10.872  -4.163  10.388          0.060
+ATOM     30  CA  ALA    16     -11.467  -1.655   7.161          0.049
+ATOM     31  CB  ALA    16     -11.250  -1.412   6.526          0.107
+ATOM     32  CA  ALA    17     -14.781  -3.519   6.779          0.024
+ATOM     33  CB  ALA    17     -15.400  -3.661   7.142          0.062
+ATOM     34  CA  GLY    18     -17.089  -1.218   4.806          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   19.99                                       ENERGY    -1.51411E+01
+ATOM      1  CA  GLY     1       3.043   2.861  -1.063          0.048
+ATOM      2  CA  ALA     2       5.110  -0.267  -1.622          0.048
+ATOM      3  CB  ALA     2       5.800  -0.151  -1.287          0.031
+ATOM      4  CA  ALA     3       4.246  -3.695  -0.370          0.003
+ATOM      5  CB  ALA     3       4.337  -4.448  -0.222          0.082
+ATOM      6  CA  ALA     4       5.210  -3.731   3.355          0.023
+ATOM      7  CB  ALA     4       5.866  -3.358   3.348          0.001
+ATOM      8  CA  CYS     5       1.548  -3.373   4.376          0.029
+ATOM      9  CB  CYS     5       1.327  -2.730   3.312          0.033
+ATOM     10  CA  ALA     6       1.326  -7.073   4.852          0.026
+ATOM     11  CB  ALA     6       1.824  -7.532   4.444          0.054
+ATOM     12  CA  ALA     7       2.758  -6.556   8.348          0.031
+ATOM     13  CB  ALA     7       3.137  -6.217   8.928          0.010
+ATOM     14  CA  ALA     8      -0.509  -5.086   9.373          0.013
+ATOM     15  CB  ALA     8      -0.885  -4.665   8.945          0.153
+ATOM     16  CA  ALA     9      -2.300  -8.455   8.742          0.027
+ATOM     17  CB  ALA     9      -2.486  -9.100   8.305          0.077
+ATOM     18  CA  ALA    10       0.688 -10.100  10.508          0.001
+ATOM     19  CB  ALA    10       1.349  -9.947  10.387          0.019
+ATOM     20  CA  ALA    11      -1.808 -10.003  13.388          0.022
+ATOM     21  CB  ALA    11      -1.452 -10.367  13.979          0.013
+ATOM     22  CA  ALA    12      -1.416  -6.224  13.871          0.014
+ATOM     23  CB  ALA    12      -1.013  -5.796  13.408          0.001
+ATOM     24  CA  ALA    13      -5.156  -5.681  13.513          0.008
+ATOM     25  CB  ALA    13      -5.483  -5.451  14.158          0.006
+ATOM     26  CA  CYS    14      -6.907  -4.302  10.408          0.001
+ATOM     27  CB  CYS    14      -6.293  -4.332   9.283          0.014
+ATOM     28  CA  ALA    15     -10.693  -4.536  10.094          0.015
+ATOM     29  CB  ALA    15     -11.182  -4.468  10.619          0.144
+ATOM     30  CA  ALA    16     -11.913  -2.173   7.306          0.021
+ATOM     31  CB  ALA    16     -11.681  -2.109   6.679          0.028
+ATOM     32  CA  ALA    17     -15.595  -2.963   6.804          0.018
+ATOM     33  CB  ALA    17     -15.437  -3.490   7.289          0.118
+ATOM     34  CA  GLY    18     -17.938  -0.903   4.698          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   24.98                                       ENERGY    -1.83317E+01
+ATOM      1  CA  GLY     1       3.769   2.966  -2.513          0.018
+ATOM      2  CA  ALA     2       5.159  -0.276  -1.197          0.019
+ATOM      3  CB  ALA     2       5.301  -0.380  -0.533          0.035
+ATOM      4  CA  ALA     3       3.838  -3.680  -0.176          0.010
+ATOM      5  CB  ALA     3       3.770  -4.366  -0.480          0.074
+ATOM      6  CA  ALA     4       5.389  -3.352   3.209          0.018
+ATOM      7  CB  ALA     4       5.634  -2.746   3.565          0.053
+ATOM      8  CA  CYS     5       2.068  -3.383   4.844          0.016
+ATOM      9  CB  CYS     5       1.839  -2.692   3.772          0.030
+ATOM     10  CA  ALA     6       1.995  -7.144   4.447          0.007
+ATOM     11  CB  ALA     6       2.242  -7.563   3.916          0.010
+ATOM     12  CA  ALA     7       2.956  -7.284   8.145          0.028
+ATOM     13  CB  ALA     7       3.586  -7.099   8.380          0.102
+ATOM     14  CA  ALA     8      -0.001  -4.997   8.920          0.035
+ATOM     15  CB  ALA     8      -0.485  -4.438   8.647          0.009
+ATOM     16  CA  ALA     9      -2.338  -7.998   8.953          0.026
+ATOM     17  CB  ALA     9      -2.774  -8.519   8.703          0.043
+ATOM     18  CA  ALA    10       0.307 -10.122  10.630          0.021
+ATOM     19  CB  ALA    10       1.079  -9.878  10.861          0.064
+ATOM     20  CA  ALA    11      -1.698 -10.111  13.791          0.008
+ATOM     21  CB  ALA    11      -1.779 -10.373  14.478          0.038
+ATOM     22  CA  ALA    12      -1.328  -6.340  13.880          0.008
+ATOM     23  CB  ALA    12      -0.914  -5.980  13.352          0.108
+ATOM     24  CA  ALA    13      -5.053  -5.846  13.097          0.015
+ATOM     25  CB  ALA    13      -5.561  -5.819  13.600          0.034
+ATOM     26  CA  CYS    14      -6.772  -3.697  10.480          0.007
+ATOM     27  CB  CYS    14      -6.353  -4.063   9.383          0.057
+ATOM     28  CA  ALA    15     -10.375  -4.781   9.878          0.016
+ATOM     29  CB  ALA    15     -10.707  -4.930  10.424          0.085
+ATOM     30  CA  ALA    16     -12.537  -2.831   7.459          0.036
+ATOM     31  CB  ALA    16     -12.108  -2.728   6.881          0.233
+ATOM     32  CA  ALA    17     -16.298  -2.662   6.999          0.028
+ATOM     33  CB  ALA    17     -16.892  -2.822   7.448          0.030
+ATOM     34  CA  GLY    18     -18.472  -0.747   4.509          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   29.98                                       ENERGY    -2.22516E+01
+ATOM      1  CA  GLY     1       4.092   1.922  -4.015          0.039
+ATOM      2  CA  ALA     2       4.942   0.155  -0.726          0.036
+ATOM      3  CB  ALA     2       4.985   0.605  -0.168          0.215
+ATOM      4  CA  ALA     3       4.258  -3.581  -0.208          0.037
+ATOM      5  CB  ALA     3       4.445  -3.948  -0.760          0.046
+ATOM      6  CA  ALA     4       5.652  -3.467   3.312          0.095
+ATOM      7  CB  ALA     4       6.178  -3.079   3.535          0.033
+ATOM      8  CA  CYS     5       2.201  -3.281   4.832          0.015
+ATOM      9  CB  CYS     5       1.440  -2.454   4.289          0.015
+ATOM     10  CA  ALA     6       1.804  -7.070   4.391          0.033
+ATOM     11  CB  ALA     6       2.208  -7.290   3.871          0.004
+ATOM     12  CA  ALA     7       3.107  -7.586   7.942          0.022
+ATOM     13  CB  ALA     7       3.712  -7.910   8.213          0.028
+ATOM     14  CA  ALA     8       0.329  -5.271   9.206          0.034
+ATOM     15  CB  ALA     8       0.318  -4.602   8.973          0.027
+ATOM     16  CA  ALA     9      -2.180  -8.101   8.635          0.031
+ATOM     17  CB  ALA     9      -2.384  -8.112   7.905          0.078
+ATOM     18  CA  ALA    10      -0.204 -10.373  10.912          0.040
+ATOM     19  CB  ALA    10       0.429 -10.376  10.500          0.091
+ATOM     20  CA  ALA    11      -1.472 -10.040  14.469          0.002
+ATOM     21  CB  ALA    11      -1.061 -10.281  15.135          0.009
+ATOM     22  CA  ALA    12      -1.450  -6.180  14.286          0.052
+ATOM     23  CB  ALA    12      -0.948  -5.759  13.970          0.031
+ATOM     24  CA  ALA    13      -4.876  -6.074  12.575          0.029
+ATOM     25  CB  ALA    13      -5.043  -6.309  13.231          0.016
+ATOM     26  CA  CYS    14      -6.763  -3.963  10.010          0.016
+ATOM     27  CB  CYS    14      -5.966  -3.522   9.111          0.009
+ATOM     28  CA  ALA    15     -10.582  -4.421   9.738          0.011
+ATOM     29  CB  ALA    15     -11.010  -4.561  10.377          0.064
+ATOM     30  CA  ALA    16     -13.316  -3.012   7.495          0.009
+ATOM     31  CB  ALA    16     -13.348  -2.944   6.767          0.021
+ATOM     32  CA  ALA    17     -17.085  -2.835   7.358          0.016
+ATOM     33  CB  ALA    17     -17.301  -2.551   7.936          0.116
+ATOM     34  CA  GLY    18     -18.252  -0.690   4.361          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   34.98                                       ENERGY    -1.07770E+01
+ATOM      1  CA  GLY     1       4.630   0.388  -4.659          0.014
+ATOM      2  CA  ALA     2       4.500   0.851  -0.821          0.021
+ATOM      3  CB  ALA     2       4.114   1.317  -0.494          0.057
+ATOM      4  CA  ALA     3       4.822  -2.793   0.126          0.030
+ATOM      5  CB  ALA     3       4.867  -3.488   0.068          0.031
+ATOM      6  CA  ALA     4       5.875  -3.656   3.705          0.023
+ATOM      7  CB  ALA     4       6.484  -3.545   4.215          0.044
+ATOM      8  CA  CYS     5       2.209  -3.409   4.807          0.017
+ATOM      9  CB  CYS     5       1.490  -2.499   4.495          0.012
+ATOM     10  CA  ALA     6       1.316  -7.166   4.454          0.012
+ATOM     11  CB  ALA     6       1.529  -7.519   3.835          0.047
+ATOM     12  CA  ALA     7       3.206  -8.031   7.678          0.014
+ATOM     13  CB  ALA     7       3.777  -7.580   7.600          0.077
+ATOM     14  CA  ALA     8       1.018  -5.551   9.591          0.004
+ATOM     15  CB  ALA     8       0.684  -4.988   9.304          0.034
+ATOM     16  CA  ALA     9      -2.052  -7.682   8.861          0.017
+ATOM     17  CB  ALA     9      -2.253  -8.073   8.199          0.025
+ATOM     18  CA  ALA    10      -0.548 -10.716  10.676          0.015
+ATOM     19  CB  ALA    10       0.181 -10.630  10.713          0.018
+ATOM     20  CA  ALA    11      -1.275  -9.742  14.299          0.024
+ATOM     21  CB  ALA    11      -1.149  -9.632  15.041          0.069
+ATOM     22  CA  ALA    12      -1.353  -6.004  13.550          0.034
+ATOM     23  CB  ALA    12      -0.761  -5.639  13.237          0.022
+ATOM     24  CA  ALA    13      -4.915  -6.308  12.283          0.010
+ATOM     25  CB  ALA    13      -5.072  -6.910  12.756          0.016
+ATOM     26  CA  CYS    14      -7.034  -4.023  10.128          0.030
+ATOM     27  CB  CYS    14      -6.077  -3.658   9.358          0.017
+ATOM     28  CA  ALA    15     -10.779  -4.007   9.435          0.017
+ATOM     29  CB  ALA    15     -11.344  -3.936   9.939          0.026
+ATOM     30  CA  ALA    16     -13.382  -2.483   7.222          0.014
+ATOM     31  CB  ALA    16     -13.040  -2.885   6.690          0.016
+ATOM     32  CA  ALA    17     -17.075  -3.018   7.898          0.004
+ATOM     33  CB  ALA    17     -17.594  -2.675   8.326          0.097
+ATOM     34  CA  GLY    18     -18.296  -1.241   4.699          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   39.98                                       ENERGY    -8.36314E+00
+ATOM      1  CA  GLY     1       4.881  -0.793  -4.241          0.010
+ATOM      2  CA  ALA     2       4.431   0.775  -0.878          0.003
+ATOM      3  CB  ALA     2       3.845   1.228  -0.891          0.037
+ATOM      4  CA  ALA     3       4.730  -2.616   0.726          0.063
+ATOM      5  CB  ALA     3       5.339  -2.442   0.198          0.029
+ATOM      6  CA  ALA     4       5.538  -3.805   4.285          0.011
+ATOM      7  CB  ALA     4       6.153  -3.595   4.560          0.076
+ATOM      8  CA  CYS     5       1.846  -3.502   5.156          0.041
+ATOM      9  CB  CYS     5       1.325  -2.542   4.509          0.020
+ATOM     10  CA  ALA     6       1.274  -7.178   4.397          0.009
+ATOM     11  CB  ALA     6       1.503  -7.390   3.732          0.002
+ATOM     12  CA  ALA     7       3.277  -8.080   7.447          0.013
+ATOM     13  CB  ALA     7       4.022  -8.263   7.628          0.054
+ATOM     14  CA  ALA     8       1.047  -5.722   9.517          0.007
+ATOM     15  CB  ALA     8       1.195  -4.994   9.299          0.021
+ATOM     16  CA  ALA     9      -1.866  -8.004   8.761          0.036
+ATOM     17  CB  ALA     9      -2.339  -8.114   8.170          0.012
+ATOM     18  CA  ALA    10       0.187 -10.638  10.496          0.039
+ATOM     19  CB  ALA    10       0.931 -10.732  10.353          0.020
+ATOM     20  CA  ALA    11      -1.163  -9.451  13.884          0.007
+ATOM     21  CB  ALA    11      -1.228  -9.996  14.370          0.004
+ATOM     22  CA  ALA    12      -1.562  -5.632  13.376          0.015
+ATOM     23  CB  ALA    12      -1.240  -5.173  12.832          0.059
+ATOM     24  CA  ALA    13      -5.043  -6.078  12.017          0.015
+ATOM     25  CB  ALA    13      -5.555  -6.501  12.401          0.051
+ATOM     26  CA  CYS    14      -7.293  -3.456  10.418          0.018
+ATOM     27  CB  CYS    14      -6.662  -3.833   9.395          0.028
+ATOM     28  CA  ALA    15     -10.838  -4.176   9.438          0.011
+ATOM     29  CB  ALA    15     -11.140  -3.882  10.144          0.015
+ATOM     30  CA  ALA    16     -13.090  -2.231   7.116          0.021
+ATOM     31  CB  ALA    16     -13.411  -2.114   6.409          0.016
+ATOM     32  CA  ALA    17     -16.617  -3.160   8.023          0.016
+ATOM     33  CB  ALA    17     -16.933  -3.151   8.677          0.003
+ATOM     34  CA  GLY    18     -18.255  -1.488   5.071          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   44.97                                       ENERGY    -1.38078E+01
+ATOM      1  CA  GLY     1       4.932  -0.621  -4.247          0.011
+ATOM      2  CA  ALA     2       4.391   0.346  -0.594          0.053
+ATOM      3  CB  ALA     2       3.654   0.536  -0.490          0.024
+ATOM      4  CA  ALA     3       4.679  -3.053   1.077          0.039
+ATOM      5  CB  ALA     3       5.243  -3.457   1.091          0.034
+ATOM      6  CA  ALA     4       5.216  -3.292   4.880          0.023
+ATOM      7  CB  ALA     4       5.186  -3.014   5.577          0.198
+ATOM      8  CA  CYS     5       1.373  -3.660   4.954          0.002
+ATOM      9  CB  CYS     5       1.328  -2.787   4.002          0.028
+ATOM     10  CA  ALA     6       1.883  -7.262   4.048          0.006
+ATOM     11  CB  ALA     6       1.745  -7.707   3.385          0.004
+ATOM     12  CA  ALA     7       3.603  -7.911   7.325          0.012
+ATOM     13  CB  ALA     7       4.271  -7.673   7.328          0.014
+ATOM     14  CA  ALA     8       1.349  -5.546   9.306          0.036
+ATOM     15  CB  ALA     8       0.820  -5.028   9.510          0.011
+ATOM     16  CA  ALA     9      -1.740  -7.687   8.600          0.004
+ATOM     17  CB  ALA     9      -1.875  -7.954   7.920          0.022
+ATOM     18  CA  ALA    10      -0.037 -10.744  10.059          0.030
+ATOM     19  CB  ALA    10       0.714 -10.516   9.877          0.034
+ATOM     20  CA  ALA    11      -0.679  -9.650  13.659          0.023
+ATOM     21  CB  ALA    11      -0.372  -9.387  14.253          0.029
+ATOM     22  CA  ALA    12      -1.936  -6.091  13.451          0.043
+ATOM     23  CB  ALA    12      -1.231  -5.841  13.259          0.039
+ATOM     24  CA  ALA    13      -5.515  -5.757  12.245          0.003
+ATOM     25  CB  ALA    13      -5.789  -5.707  12.924          0.044
+ATOM     26  CA  CYS    14      -7.120  -3.301   9.916          0.009
+ATOM     27  CB  CYS    14      -6.940  -3.705   8.716          0.024
+ATOM     28  CA  ALA    15     -10.834  -4.050   9.657          0.028
+ATOM     29  CB  ALA    15     -11.222  -3.806  10.257          0.031
+ATOM     30  CA  ALA    16     -13.177  -1.909   7.498          0.002
+ATOM     31  CB  ALA    16     -12.818  -1.805   6.829          0.135
+ATOM     32  CA  ALA    17     -16.552  -3.652   7.762          0.006
+ATOM     33  CB  ALA    17     -16.644  -3.995   8.446          0.045
+ATOM     34  CA  GLY    18     -18.335  -0.958   5.653          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   49.97                                       ENERGY    -2.40419E+01
+ATOM      1  CA  GLY     1       4.521   0.194  -3.637          0.034
+ATOM      2  CA  ALA     2       4.732  -0.729   0.037          0.136
+ATOM      3  CB  ALA     2       4.045  -0.621   0.185          0.166
+ATOM      4  CA  ALA     3       5.147  -4.112   1.482          0.042
+ATOM      5  CB  ALA     3       5.862  -4.208   1.325          0.047
+ATOM      6  CA  ALA     4       4.524  -2.964   5.079          0.023
+ATOM      7  CB  ALA     4       4.507  -2.235   5.297          0.036
+ATOM      8  CA  CYS     5       0.866  -3.702   4.592          0.001
+ATOM      9  CB  CYS     5       0.510  -2.964   3.653          0.083
+ATOM     10  CA  ALA     6       1.359  -7.419   4.589          0.012
+ATOM     11  CB  ALA     6       2.019  -7.669   4.266          0.026
+ATOM     12  CA  ALA     7       3.846  -7.127   7.484          0.025
+ATOM     13  CB  ALA     7       4.568  -7.143   7.323          0.067
+ATOM     14  CA  ALA     8       1.150  -5.277   9.340          0.026
+ATOM     15  CB  ALA     8       0.868  -4.583   9.330          0.032
+ATOM     16  CA  ALA     9      -1.407  -7.734   8.256          0.054
+ATOM     17  CB  ALA     9      -1.486  -7.953   7.541          0.016
+ATOM     18  CA  ALA    10       0.639 -10.659   9.523          0.023
+ATOM     19  CB  ALA    10       1.218 -10.737   9.042          0.049
+ATOM     20  CA  ALA    11      -0.360  -9.633  13.067          0.046
+ATOM     21  CB  ALA    11       0.187  -9.993  13.461          0.047
+ATOM     22  CA  ALA    12      -2.035  -6.211  13.323          0.023
+ATOM     23  CB  ALA    12      -1.644  -5.621  13.072          0.087
+ATOM     24  CA  ALA    13      -5.649  -5.190  12.581          0.005
+ATOM     25  CB  ALA    13      -6.048  -4.920  13.149          0.074
+ATOM     26  CA  CYS    14      -7.156  -3.532   9.514          0.010
+ATOM     27  CB  CYS    14      -6.505  -3.855   8.510          0.046
+ATOM     28  CA  ALA    15     -10.901  -3.726  10.040          0.005
+ATOM     29  CB  ALA    15     -11.186  -3.878  10.650          0.035
+ATOM     30  CA  ALA    16     -13.280  -1.846   7.642          0.002
+ATOM     31  CB  ALA    16     -12.810  -1.612   7.058          0.068
+ATOM     32  CA  ALA    17     -16.494  -3.818   7.185          0.005
+ATOM     33  CB  ALA    17     -16.921  -4.133   7.724          0.103
+ATOM     34  CA  GLY    18     -18.561  -0.707   6.685          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   54.97                                       ENERGY    -1.48167E+01
+ATOM      1  CA  GLY     1       4.587   0.565  -2.869          0.033
+ATOM      2  CA  ALA     2       4.585  -1.644   0.289          0.028
+ATOM      3  CB  ALA     2       3.998  -1.535   0.927          0.058
+ATOM      4  CA  ALA     3       5.289  -4.789   2.310          0.025
+ATOM      5  CB  ALA     3       5.604  -5.491   2.146          0.084
+ATOM      6  CA  ALA     4       4.108  -2.815   5.302          0.019
+ATOM      7  CB  ALA     4       4.498  -2.161   5.382          0.001
+ATOM      8  CA  CYS     5       0.587  -3.793   4.467          0.019
+ATOM      9  CB  CYS     5      -0.152  -3.381   3.540          0.016
+ATOM     10  CA  ALA     6       1.791  -7.375   4.624          0.034
+ATOM     11  CB  ALA     6       1.969  -7.731   4.036          0.068
+ATOM     12  CA  ALA     7       3.873  -6.490   7.660          0.015
+ATOM     13  CB  ALA     7       4.243  -5.857   7.815          0.039
+ATOM     14  CA  ALA     8       0.867  -4.719   8.983          0.016
+ATOM     15  CB  ALA     8       0.497  -4.091   8.762          0.075
+ATOM     16  CA  ALA     9      -1.350  -7.518   7.683          0.003
+ATOM     17  CB  ALA     9      -1.474  -7.689   6.937          0.026
+ATOM     18  CA  ALA    10       1.195 -10.041   9.010          0.009
+ATOM     19  CB  ALA    10       1.800  -9.999   9.257          0.069
+ATOM     20  CA  ALA    11      -0.286  -9.758  12.459          0.013
+ATOM     21  CB  ALA    11      -0.079 -10.071  13.092          0.022
+ATOM     22  CA  ALA    12      -1.694  -6.278  12.782          0.008
+ATOM     23  CB  ALA    12      -1.554  -6.061  12.146          0.094
+ATOM     24  CA  ALA    13      -5.281  -5.134  12.650          0.019
+ATOM     25  CB  ALA    13      -5.471  -5.037  13.357          0.126
+ATOM     26  CA  CYS    14      -6.978  -3.304   9.831          0.003
+ATOM     27  CB  CYS    14      -6.559  -4.261   9.206          0.003
+ATOM     28  CA  ALA    15     -10.703  -3.974   9.524          0.009
+ATOM     29  CB  ALA    15     -11.024  -3.832  10.233          0.038
+ATOM     30  CA  ALA    16     -13.377  -1.963   7.679          0.000
+ATOM     31  CB  ALA    16     -13.453  -1.451   7.158          0.076
+ATOM     32  CA  ALA    17     -16.695  -3.650   7.081          0.031
+ATOM     33  CB  ALA    17     -16.644  -4.304   7.263          0.007
+ATOM     34  CA  GLY    18     -18.373  -0.234   7.363          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   59.97                                       ENERGY    -1.42466E+01
+ATOM      1  CA  GLY     1       5.521  -1.491  -2.744          0.068
+ATOM      2  CA  ALA     2       3.741  -1.538   0.636          0.037
+ATOM      3  CB  ALA     2       3.459  -1.257   1.230          0.023
+ATOM      4  CA  ALA     3       5.368  -4.489   2.366          0.062
+ATOM      5  CB  ALA     3       5.940  -4.976   2.600          0.187
+ATOM      6  CA  ALA     4       3.981  -2.326   5.296          0.019
+ATOM      7  CB  ALA     4       3.882  -1.577   5.206          0.015
+ATOM      8  CA  CYS     5       0.699  -3.631   3.931          0.022
+ATOM      9  CB  CYS     5       0.276  -3.320   2.787          0.025
+ATOM     10  CA  ALA     6       2.144  -7.086   4.368          0.003
+ATOM     11  CB  ALA     6       2.677  -7.552   4.092          0.027
+ATOM     12  CA  ALA     7       3.617  -6.117   7.710          0.011
+ATOM     13  CB  ALA     7       4.279  -6.048   8.009          0.025
+ATOM     14  CA  ALA     8       0.399  -4.557   8.784          0.001
+ATOM     15  CB  ALA     8      -0.080  -3.950   8.679          0.057
+ATOM     16  CA  ALA     9      -1.447  -7.641   7.530          0.024
+ATOM     17  CB  ALA     9      -1.903  -7.920   7.071          0.010
+ATOM     18  CA  ALA    10       1.036 -10.047   9.190          0.011
+ATOM     19  CB  ALA    10       1.449  -9.694   8.737          0.064
+ATOM     20  CA  ALA    11      -0.561  -9.949  12.703          0.011
+ATOM     21  CB  ALA    11      -0.425 -10.224  13.297          0.007
+ATOM     22  CA  ALA    12      -1.270  -6.258  12.832          0.019
+ATOM     23  CB  ALA    12      -0.908  -6.271  12.149          0.065
+ATOM     24  CA  ALA    13      -5.048  -5.527  13.148          0.026
+ATOM     25  CB  ALA    13      -5.201  -5.264  13.822          0.017
+ATOM     26  CA  CYS    14      -6.929  -4.060  10.231          0.023
+ATOM     27  CB  CYS    14      -6.449  -4.292   9.118          0.009
+ATOM     28  CA  ALA    15     -10.622  -3.912   9.303          0.037
+ATOM     29  CB  ALA    15     -10.916  -4.195   9.942          0.003
+ATOM     30  CA  ALA    16     -13.170  -1.688   7.565          0.025
+ATOM     31  CB  ALA    16     -12.708  -1.569   7.018          0.025
+ATOM     32  CA  ALA    17     -16.613  -3.300   7.016          0.004
+ATOM     33  CB  ALA    17     -17.142  -3.687   7.468          0.019
+ATOM     34  CA  GLY    18     -19.068  -0.474   7.667          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   64.97                                       ENERGY    -2.13232E+01
+ATOM      1  CA  GLY     1       5.953  -3.656  -2.972          0.062
+ATOM      2  CA  ALA     2       4.466  -1.455  -0.252          0.057
+ATOM      3  CB  ALA     2       3.730  -1.458  -0.277          0.168
+ATOM      4  CA  ALA     3       6.057  -3.237   2.696          0.054
+ATOM      5  CB  ALA     3       6.506  -2.786   2.315          0.104
+ATOM      6  CA  ALA     4       3.741  -2.020   5.516          0.048
+ATOM      7  CB  ALA     4       3.811  -1.296   5.706          0.045
+ATOM      8  CA  CYS     5       0.658  -3.563   3.852          0.027
+ATOM      9  CB  CYS     5      -0.007  -3.278   2.794          0.004
+ATOM     10  CA  ALA     6       1.897  -7.060   4.518          0.013
+ATOM     11  CB  ALA     6       2.521  -7.385   4.226          0.033
+ATOM     12  CA  ALA     7       3.095  -6.071   7.982          0.043
+ATOM     13  CB  ALA     7       3.617  -5.592   7.884          0.081
+ATOM     14  CA  ALA     8      -0.364  -4.571   8.490          0.033
+ATOM     15  CB  ALA     8      -0.849  -4.084   8.159          0.012
+ATOM     16  CA  ALA     9      -1.893  -7.912   7.756          0.055
+ATOM     17  CB  ALA     9      -1.676  -7.956   7.031          0.047
+ATOM     18  CA  ALA    10       0.884  -9.918   9.468          0.006
+ATOM     19  CB  ALA    10       1.419  -9.833   8.963          0.007
+ATOM     20  CA  ALA    11      -0.867 -10.315  12.763          0.026
+ATOM     21  CB  ALA    11      -0.651 -10.752  13.317          0.042
+ATOM     22  CA  ALA    12      -0.973  -6.557  13.322          0.014
+ATOM     23  CB  ALA    12      -0.557  -6.062  13.002          0.015
+ATOM     24  CA  ALA    13      -4.704  -6.000  12.532          0.031
+ATOM     25  CB  ALA    13      -5.215  -6.017  13.041          0.083
+ATOM     26  CA  CYS    14      -6.931  -3.925  10.260          0.017
+ATOM     27  CB  CYS    14      -6.251  -4.111   9.287          0.023
+ATOM     28  CA  ALA    15     -10.660  -4.300   9.804          0.016
+ATOM     29  CB  ALA    15     -11.232  -4.520  10.103          0.023
+ATOM     30  CA  ALA    16     -12.720  -2.028   7.537          0.013
+ATOM     31  CB  ALA    16     -12.538  -2.058   6.810          0.075
+ATOM     32  CA  ALA    17     -16.410  -2.642   7.291          0.003
+ATOM     33  CB  ALA    17     -16.171  -3.072   7.856          0.059
+ATOM     34  CA  GLY    18     -19.549  -0.387   7.411          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   69.97                                       ENERGY    -1.81680E+01
+ATOM      1  CA  GLY     1       6.509  -4.334  -3.910          0.005
+ATOM      2  CA  ALA     2       4.878  -2.252  -1.098          0.022
+ATOM      3  CB  ALA     2       4.223  -1.892  -1.331          0.157
+ATOM      4  CA  ALA     3       5.549  -2.539   2.608          0.071
+ATOM      5  CB  ALA     3       5.846  -2.483   3.338          0.044
+ATOM      6  CA  ALA     4       3.247  -1.259   5.391          0.033
+ATOM      7  CB  ALA     4       3.326  -0.748   5.906          0.015
+ATOM      8  CA  CYS     5       0.429  -3.383   3.948          0.009
+ATOM      9  CB  CYS     5       0.615  -2.910   2.808          0.027
+ATOM     10  CA  ALA     6       1.881  -6.773   4.728          0.042
+ATOM     11  CB  ALA     6       2.237  -7.158   4.216          0.012
+ATOM     12  CA  ALA     7       2.708  -5.605   8.223          0.045
+ATOM     13  CB  ALA     7       2.817  -5.327   8.928          0.078
+ATOM     14  CA  ALA     8      -0.934  -4.921   8.863          0.045
+ATOM     15  CB  ALA     8      -1.309  -4.355   9.074          0.021
+ATOM     16  CA  ALA     9      -1.772  -8.386   7.566          0.022
+ATOM     17  CB  ALA     9      -2.263  -8.680   7.043          0.005
+ATOM     18  CA  ALA    10       1.145  -9.791   9.560          0.024
+ATOM     19  CB  ALA    10       1.651  -9.467   9.942          0.011
+ATOM     20  CA  ALA    11      -1.039 -10.258  12.565          0.011
+ATOM     21  CB  ALA    11      -1.065 -10.775  13.055          0.006
+ATOM     22  CA  ALA    12      -1.103  -6.460  12.922          0.056
+ATOM     23  CB  ALA    12      -0.558  -6.132  12.543          0.103
+ATOM     24  CA  ALA    13      -4.877  -6.839  12.155          0.043
+ATOM     25  CB  ALA    13      -4.970  -7.281  12.767          0.036
+ATOM     26  CA  CYS    14      -6.564  -3.974  10.319          0.025
+ATOM     27  CB  CYS    14      -6.088  -3.871   9.119          0.009
+ATOM     28  CA  ALA    15     -10.392  -4.358   9.708          0.009
+ATOM     29  CB  ALA    15     -10.640  -4.405  10.422          0.017
+ATOM     30  CA  ALA    16     -12.544  -2.176   7.497          0.005
+ATOM     31  CB  ALA    16     -12.100  -1.945   6.891          0.114
+ATOM     32  CA  ALA    17     -16.228  -2.521   8.209          0.035
+ATOM     33  CB  ALA    17     -16.507  -2.798   8.849          0.096
+ATOM     34  CA  GLY    18     -18.730  -0.359   6.288          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   74.97                                       ENERGY    -1.35711E+01
+ATOM      1  CA  GLY     1       7.068  -4.418  -4.057          0.014
+ATOM      2  CA  ALA     2       5.492  -2.481  -1.191          0.007
+ATOM      3  CB  ALA     2       4.741  -2.253  -1.305          0.049
+ATOM      4  CA  ALA     3       5.182  -2.864   2.666          0.013
+ATOM      5  CB  ALA     3       5.775  -3.293   2.467          0.096
+ATOM      6  CA  ALA     4       2.887  -1.064   5.067          0.037
+ATOM      7  CB  ALA     4       2.684  -0.231   5.114          0.040
+ATOM      8  CA  CYS     5      -0.189  -3.168   4.123          0.003
+ATOM      9  CB  CYS     5       0.348  -2.653   3.131          0.003
+ATOM     10  CA  ALA     6       1.721  -6.423   4.825          0.003
+ATOM     11  CB  ALA     6       2.410  -6.149   4.662          0.039
+ATOM     12  CA  ALA     7       2.364  -5.324   8.368          0.003
+ATOM     13  CB  ALA     7       2.469  -4.744   8.781          0.083
+ATOM     14  CA  ALA     8      -1.325  -4.874   8.996          0.012
+ATOM     15  CB  ALA     8      -1.487  -4.164   8.952          0.008
+ATOM     16  CA  ALA     9      -1.900  -8.490   7.795          0.021
+ATOM     17  CB  ALA     9      -1.555  -8.669   7.204          0.031
+ATOM     18  CA  ALA    10       1.359  -9.688   9.503          0.058
+ATOM     19  CB  ALA    10       2.046  -9.429   9.459          0.033
+ATOM     20  CA  ALA    11      -0.338 -10.758  12.678          0.077
+ATOM     21  CB  ALA    11      -0.031 -10.851  13.317          0.022
+ATOM     22  CA  ALA    12      -1.690  -7.251  13.489          0.042
+ATOM     23  CB  ALA    12      -1.383  -6.839  12.894          0.067
+ATOM     24  CA  ALA    13      -5.168  -7.017  11.968          0.033
+ATOM     25  CB  ALA    13      -5.771  -7.478  12.223          0.038
+ATOM     26  CA  CYS    14      -6.368  -4.127   9.764          0.003
+ATOM     27  CB  CYS    14      -5.752  -3.786   8.830          0.028
+ATOM     28  CA  ALA    15     -10.136  -4.260   9.837          0.009
+ATOM     29  CB  ALA    15     -10.502  -4.521  10.398          0.027
+ATOM     30  CA  ALA    16     -12.566  -1.904   8.147          0.044
+ATOM     31  CB  ALA    16     -12.784  -1.943   7.487          0.021
+ATOM     32  CA  ALA    17     -16.338  -2.452   8.489          0.030
+ATOM     33  CB  ALA    17     -16.383  -2.231   9.214          0.026
+ATOM     34  CA  GLY    18     -17.350  -0.568   5.344          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   79.97                                       ENERGY    -1.53910E+01
+ATOM      1  CA  GLY     1       7.893  -4.184  -2.820          0.060
+ATOM      2  CA  ALA     2       5.243  -2.193  -0.987          0.005
+ATOM      3  CB  ALA     2       4.739  -1.905  -1.531          0.011
+ATOM      4  CA  ALA     3       4.721  -3.782   2.442          0.026
+ATOM      5  CB  ALA     3       4.861  -4.134   3.152          0.197
+ATOM      6  CA  ALA     4       3.100  -1.022   4.302          0.008
+ATOM      7  CB  ALA     4       3.080  -0.300   4.091          0.034
+ATOM      8  CA  CYS     5      -0.225  -2.814   4.144          0.009
+ATOM      9  CB  CYS     5      -0.296  -2.901   2.905          0.026
+ATOM     10  CA  ALA     6       1.099  -6.199   5.038          0.004
+ATOM     11  CB  ALA     6       1.506  -6.581   4.579          0.186
+ATOM     12  CA  ALA     7       2.696  -4.591   8.145          0.045
+ATOM     13  CB  ALA     7       3.264  -4.170   7.884          0.041
+ATOM     14  CA  ALA     8      -0.819  -4.752   9.743          0.059
+ATOM     15  CB  ALA     8      -1.408  -4.382   9.907          0.032
+ATOM     16  CA  ALA     9      -1.350  -8.110   8.173          0.026
+ATOM     17  CB  ALA     9      -1.831  -8.250   7.566          0.091
+ATOM     18  CA  ALA    10       1.972  -9.292   9.541          0.006
+ATOM     19  CB  ALA    10       2.169  -8.730   9.228          0.120
+ATOM     20  CA  ALA    11       0.317 -10.926  12.615          0.035
+ATOM     21  CB  ALA    11       0.568 -11.465  12.989          0.034
+ATOM     22  CA  ALA    12      -2.226  -8.189  13.402          0.013
+ATOM     23  CB  ALA    12      -1.852  -7.501  13.424          0.044
+ATOM     24  CA  ALA    13      -5.509  -7.205  11.783          0.018
+ATOM     25  CB  ALA    13      -6.050  -7.122  12.216          0.016
+ATOM     26  CA  CYS    14      -6.304  -4.141   9.621          0.015
+ATOM     27  CB  CYS    14      -5.551  -4.194   8.649          0.017
+ATOM     28  CA  ALA    15     -10.132  -4.441   9.707          0.002
+ATOM     29  CB  ALA    15     -10.586  -4.465  10.366          0.006
+ATOM     30  CA  ALA    16     -12.656  -1.949   8.388          0.008
+ATOM     31  CB  ALA    16     -12.515  -1.920   7.585          0.047
+ATOM     32  CA  ALA    17     -16.450  -2.211   8.531          0.029
+ATOM     33  CB  ALA    17     -16.898  -1.654   8.650          0.022
+ATOM     34  CA  GLY    18     -17.097  -0.282   5.309          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   84.97                                       ENERGY    -2.11051E+01
+ATOM      1  CA  GLY     1       8.447  -3.865  -1.617          0.027
+ATOM      2  CA  ALA     2       5.195  -2.170  -0.672          0.023
+ATOM      3  CB  ALA     2       4.556  -1.780  -0.880          0.034
+ATOM      4  CA  ALA     3       4.126  -4.478   2.234          0.082
+ATOM      5  CB  ALA     3       4.545  -4.744   2.817          0.014
+ATOM      6  CA  ALA     4       2.749  -1.461   4.172          0.028
+ATOM      7  CB  ALA     4       2.942  -0.769   3.921          0.007
+ATOM      8  CA  CYS     5      -0.768  -2.789   3.836          0.025
+ATOM      9  CB  CYS     5      -1.284  -2.923   2.746          0.047
+ATOM     10  CA  ALA     6       0.614  -6.050   5.018          0.012
+ATOM     11  CB  ALA     6       1.250  -6.344   4.766          0.021
+ATOM     12  CA  ALA     7       2.863  -4.298   7.452          0.013
+ATOM     13  CB  ALA     7       3.098  -3.591   7.362          0.064
+ATOM     14  CA  ALA     8       0.163  -4.174  10.094          0.016
+ATOM     15  CB  ALA     8      -0.499  -3.756  10.092          0.173
+ATOM     16  CA  ALA     9      -1.150  -7.364   8.715          0.039
+ATOM     17  CB  ALA     9      -1.272  -7.450   7.989          0.015
+ATOM     18  CA  ALA    10       2.084  -9.081   9.764          0.000
+ATOM     19  CB  ALA    10       2.558  -8.757  10.237          0.142
+ATOM     20  CA  ALA    11       0.289 -11.345  12.083          0.029
+ATOM     21  CB  ALA    11       0.497 -11.766  12.680          0.037
+ATOM     22  CA  ALA    12      -1.947  -8.554  13.305          0.017
+ATOM     23  CB  ALA    12      -1.498  -8.170  12.989          0.041
+ATOM     24  CA  ALA    13      -5.374  -7.563  12.079          0.025
+ATOM     25  CB  ALA    13      -5.424  -7.625  12.834          0.025
+ATOM     26  CA  CYS    14      -6.250  -4.616   9.819          0.034
+ATOM     27  CB  CYS    14      -5.484  -4.626   8.803          0.009
+ATOM     28  CA  ALA    15     -10.072  -4.386   9.498          0.020
+ATOM     29  CB  ALA    15     -10.275  -4.577  10.220          0.066
+ATOM     30  CA  ALA    16     -12.675  -2.045   7.924          0.022
+ATOM     31  CB  ALA    16     -12.488  -1.867   7.206          0.032
+ATOM     32  CA  ALA    17     -16.439  -1.773   7.788          0.009
+ATOM     33  CB  ALA    17     -16.436  -1.636   8.567          0.108
+ATOM     34  CA  GLY    18     -18.013   0.758   5.357          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   89.97                                       ENERGY    -1.81847E+01
+ATOM      1  CA  GLY     1       8.599  -3.924  -0.747          0.006
+ATOM      2  CA  ALA     2       5.329  -1.895  -0.746          0.032
+ATOM      3  CB  ALA     2       4.725  -1.908  -1.231          0.144
+ATOM      4  CA  ALA     3       3.719  -4.082   1.913          0.095
+ATOM      5  CB  ALA     3       4.005  -4.823   2.064          0.069
+ATOM      6  CA  ALA     4       2.245  -1.155   3.923          0.036
+ATOM      7  CB  ALA     4       2.022  -0.549   3.449          0.143
+ATOM      8  CA  CYS     5      -1.049  -2.925   4.054          0.015
+ATOM      9  CB  CYS     5      -1.771  -2.876   3.012          0.003
+ATOM     10  CA  ALA     6       0.741  -6.120   4.922          0.007
+ATOM     11  CB  ALA     6       1.256  -6.492   4.489          0.021
+ATOM     12  CA  ALA     7       3.060  -4.426   7.457          0.034
+ATOM     13  CB  ALA     7       3.215  -3.672   7.406          0.128
+ATOM     14  CA  ALA     8       0.181  -3.839   9.799          0.019
+ATOM     15  CB  ALA     8      -0.037  -3.233   9.546          0.068
+ATOM     16  CA  ALA     9      -1.259  -7.327   8.971          0.017
+ATOM     17  CB  ALA     9      -1.365  -7.566   8.263          0.057
+ATOM     18  CA  ALA    10       2.054  -8.863  10.058          0.007
+ATOM     19  CB  ALA    10       2.649  -8.953  10.479          0.020
+ATOM     20  CA  ALA    11       0.092 -11.526  11.929          0.028
+ATOM     21  CB  ALA    11       0.484 -12.122  12.319          0.009
+ATOM     22  CA  ALA    12      -1.580  -8.770  13.976          0.013
+ATOM     23  CB  ALA    12      -1.104  -8.111  13.913          0.072
+ATOM     24  CA  ALA    13      -5.004  -7.872  12.466          0.023
+ATOM     25  CB  ALA    13      -5.571  -7.812  12.878          0.009
+ATOM     26  CA  CYS    14      -6.527  -5.227  10.153          0.016
+ATOM     27  CB  CYS    14      -5.416  -4.989   9.559          0.050
+ATOM     28  CA  ALA    15     -10.226  -4.520   9.123          0.032
+ATOM     29  CB  ALA    15     -10.671  -4.345   9.641          0.051
+ATOM     30  CA  ALA    16     -11.977  -1.893   6.957          0.090
+ATOM     31  CB  ALA    16     -11.684  -1.880   6.233          0.010
+ATOM     32  CA  ALA    17     -15.680  -1.288   7.474          0.011
+ATOM     33  CB  ALA    17     -16.150  -1.649   7.897          0.023
+ATOM     34  CA  GLY    18     -18.505   1.054   6.336          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   94.97                                       ENERGY    -1.95309E+01
+ATOM      1  CA  GLY     1       8.382  -3.544  -0.171          0.007
+ATOM      2  CA  ALA     2       5.189  -1.658  -1.021          0.035
+ATOM      3  CB  ALA     2       5.349  -1.304  -1.689          0.099
+ATOM      4  CA  ALA     3       3.017  -3.907   1.288          0.052
+ATOM      5  CB  ALA     3       3.258  -4.321   1.783          0.195
+ATOM      6  CA  ALA     4       1.832  -0.890   3.246          0.020
+ATOM      7  CB  ALA     4       1.790  -0.298   3.029          0.023
+ATOM      8  CA  CYS     5      -1.058  -3.035   4.592          0.021
+ATOM      9  CB  CYS     5      -1.881  -3.267   3.669          0.029
+ATOM     10  CA  ALA     6       1.047  -6.216   4.746          0.003
+ATOM     11  CB  ALA     6       0.858  -6.515   4.088          0.049
+ATOM     12  CA  ALA     7       3.128  -4.804   7.552          0.004
+ATOM     13  CB  ALA     7       3.550  -4.246   7.268          0.074
+ATOM     14  CA  ALA     8      -0.012  -3.891   9.453          0.013
+ATOM     15  CB  ALA     8      -0.628  -3.877   9.853          0.023
+ATOM     16  CA  ALA     9      -1.226  -7.459   8.699          0.030
+ATOM     17  CB  ALA     9      -1.404  -7.286   8.002          0.016
+ATOM     18  CA  ALA    10       2.021  -8.747  10.089          0.053
+ATOM     19  CB  ALA    10       2.451  -8.335  10.603          0.008
+ATOM     20  CA  ALA    11       0.113 -11.251  12.291          0.021
+ATOM     21  CB  ALA    11       0.312 -11.943  12.522          0.010
+ATOM     22  CA  ALA    12      -1.888  -8.721  14.358          0.040
+ATOM     23  CB  ALA    12      -1.446  -8.128  14.585          0.018
+ATOM     24  CA  ALA    13      -5.381  -8.013  12.861          0.027
+ATOM     25  CB  ALA    13      -5.624  -8.486  13.374          0.042
+ATOM     26  CA  CYS    14      -6.628  -5.389  10.420          0.006
+ATOM     27  CB  CYS    14      -5.702  -5.116   9.630          0.012
+ATOM     28  CA  ALA    15     -10.023  -4.469   8.852          0.021
+ATOM     29  CB  ALA    15     -10.527  -4.543   9.389          0.029
+ATOM     30  CA  ALA    16     -11.247  -1.632   6.657          0.052
+ATOM     31  CB  ALA    16     -11.114  -1.415   5.968          0.018
+ATOM     32  CA  ALA    17     -14.941  -1.565   7.288          0.116
+ATOM     33  CB  ALA    17     -14.818  -1.874   7.962          0.056
+ATOM     34  CA  GLY    18     -17.598   1.011   6.311          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time   99.93                                       ENERGY    -2.34852E+01
+ATOM      1  CA  GLY     1       7.946  -3.113   0.386          0.090
+ATOM      2  CA  ALA     2       4.948  -1.092  -0.852          0.026
+ATOM      3  CB  ALA     2       4.735  -0.971  -1.518          0.077
+ATOM      4  CA  ALA     3       2.363  -3.453   0.457          0.027
+ATOM      5  CB  ALA     3       2.682  -4.125   0.364          0.118
+ATOM      6  CA  ALA     4       1.953  -1.420   3.618          0.071
+ATOM      7  CB  ALA     4       1.889  -0.654   3.748          0.077
+ATOM      8  CA  CYS     5      -1.219  -3.217   4.418          0.009
+ATOM      9  CB  CYS     5      -2.330  -3.332   3.820          0.030
+ATOM     10  CA  ALA     6       0.847  -6.454   4.819          0.017
+ATOM     11  CB  ALA     6       1.456  -6.611   4.500          0.104
+ATOM     12  CA  ALA     7       2.908  -4.456   7.283          0.010
+ATOM     13  CB  ALA     7       3.441  -3.988   7.039          0.022
+ATOM     14  CA  ALA     8      -0.196  -4.100   9.409          0.014
+ATOM     15  CB  ALA     8      -0.815  -3.688   9.444          0.080
+ATOM     16  CA  ALA     9      -1.172  -7.654   8.618          0.050
+ATOM     17  CB  ALA     9      -1.220  -8.016   7.945          0.024
+ATOM     18  CA  ALA    10       1.923  -8.818  10.481          0.009
+ATOM     19  CB  ALA    10       2.186  -8.678  11.148          0.043
+ATOM     20  CA  ALA    11      -0.211 -11.232  12.594          0.019
+ATOM     21  CB  ALA    11       0.108 -11.816  13.017          0.060
+ATOM     22  CA  ALA    12      -2.158  -8.433  14.244          0.012
+ATOM     23  CB  ALA    12      -1.900  -7.755  13.896          0.042
+ATOM     24  CA  ALA    13      -5.696  -7.822  12.855          0.018
+ATOM     25  CB  ALA    13      -6.250  -8.197  13.146          0.027
+ATOM     26  CA  CYS    14      -6.268  -5.199  10.221          0.011
+ATOM     27  CB  CYS    14      -5.480  -5.326   9.369          0.044
+ATOM     28  CA  ALA    15      -9.842  -4.475   9.252          0.021
+ATOM     29  CB  ALA    15     -10.443  -4.556   9.623          0.034
+ATOM     30  CA  ALA    16     -10.426  -1.462   6.970          0.044
+ATOM     31  CB  ALA    16     -10.079  -1.600   6.355          0.103
+ATOM     32  CA  ALA    17     -14.179  -2.226   7.174          0.069
+ATOM     33  CB  ALA    17     -14.306  -1.931   7.840          0.020
+ATOM     34  CA  GLY    18     -15.929   0.882   5.859          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  104.93                                       ENERGY    -1.70068E+01
+ATOM      1  CA  GLY     1       7.221  -2.278   0.710          0.064
+ATOM      2  CA  ALA     2       4.149  -0.449  -0.661          0.016
+ATOM      3  CB  ALA     2       4.427  -0.214  -1.210          0.091
+ATOM      4  CA  ALA     3       1.772  -3.327   0.108          0.012
+ATOM      5  CB  ALA     3       1.672  -3.783   0.707          0.042
+ATOM      6  CA  ALA     4       1.548  -1.554   3.538          0.020
+ATOM      7  CB  ALA     4       1.718  -0.840   3.851          0.015
+ATOM      8  CA  CYS     5      -1.520  -3.740   4.392          0.009
+ATOM      9  CB  CYS     5      -2.052  -3.510   3.316          0.027
+ATOM     10  CA  ALA     6       0.797  -6.731   4.775          0.043
+ATOM     11  CB  ALA     6       1.165  -7.143   4.267          0.131
+ATOM     12  CA  ALA     7       2.842  -4.740   7.345          0.033
+ATOM     13  CB  ALA     7       3.085  -4.094   7.441          0.009
+ATOM     14  CA  ALA     8      -0.318  -4.360   9.451          0.020
+ATOM     15  CB  ALA     8      -0.346  -3.628   9.448          0.172
+ATOM     16  CA  ALA     9      -1.059  -8.002   8.856          0.010
+ATOM     17  CB  ALA     9      -1.172  -8.406   8.236          0.033
+ATOM     18  CA  ALA    10       1.939  -9.146  10.774          0.010
+ATOM     19  CB  ALA    10       2.474  -8.570  10.885          0.041
+ATOM     20  CA  ALA    11      -0.312 -11.190  12.986          0.011
+ATOM     21  CB  ALA    11      -0.434 -11.682  13.585          0.031
+ATOM     22  CA  ALA    12      -2.426  -8.253  14.109          0.044
+ATOM     23  CB  ALA    12      -2.190  -7.659  13.758          0.029
+ATOM     24  CA  ALA    13      -5.867  -7.631  12.677          0.030
+ATOM     25  CB  ALA    13      -6.276  -7.712  13.305          0.024
+ATOM     26  CA  CYS    14      -5.808  -5.000   9.948          0.015
+ATOM     27  CB  CYS    14      -4.920  -5.301   9.006          0.001
+ATOM     28  CA  ALA    15      -9.572  -4.520   9.625          0.006
+ATOM     29  CB  ALA    15      -9.966  -4.422  10.163          0.003
+ATOM     30  CA  ALA    16      -9.852  -1.554   7.360          0.021
+ATOM     31  CB  ALA    16      -9.708  -1.822   6.697          0.025
+ATOM     32  CA  ALA    17     -13.522  -2.183   6.568          0.083
+ATOM     33  CB  ALA    17     -14.043  -2.254   7.126          0.148
+ATOM     34  CA  GLY    18     -14.795   1.071   5.272          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  109.93                                       ENERGY    -2.07523E+01
+ATOM      1  CA  GLY     1       6.653  -1.471   0.875          0.110
+ATOM      2  CA  ALA     2       3.589   0.254  -0.495          0.025
+ATOM      3  CB  ALA     2       3.543   0.147  -1.257          0.023
+ATOM      4  CA  ALA     3       1.593  -2.838   0.290          0.014
+ATOM      5  CB  ALA     3       1.876  -3.372   0.001          0.053
+ATOM      6  CA  ALA     4       1.236  -1.791   3.913          0.043
+ATOM      7  CB  ALA     4       1.294  -1.046   4.085          0.077
+ATOM      8  CA  CYS     5      -1.880  -3.827   4.590          0.038
+ATOM      9  CB  CYS     5      -1.935  -4.236   3.448          0.015
+ATOM     10  CA  ALA     6       0.153  -6.961   4.735          0.054
+ATOM     11  CB  ALA     6       0.637  -7.317   4.228          0.072
+ATOM     12  CA  ALA     7       2.592  -5.096   7.122          0.023
+ATOM     13  CB  ALA     7       2.912  -4.433   7.013          0.044
+ATOM     14  CA  ALA     8      -0.235  -4.662   9.583          0.023
+ATOM     15  CB  ALA     8      -0.704  -4.984  10.076          0.082
+ATOM     16  CA  ALA     9      -1.288  -8.310   8.944          0.029
+ATOM     17  CB  ALA     9      -1.263  -8.507   8.265          0.002
+ATOM     18  CA  ALA    10       1.788  -9.523  10.820          0.015
+ATOM     19  CB  ALA    10       1.865  -8.806  10.837          0.052
+ATOM     20  CA  ALA    11      -0.226 -11.227  13.530          0.017
+ATOM     21  CB  ALA    11       0.147 -11.721  13.936          0.100
+ATOM     22  CA  ALA    12      -2.056  -8.030  14.210          0.026
+ATOM     23  CB  ALA    12      -1.524  -7.497  14.116          0.080
+ATOM     24  CA  ALA    13      -5.409  -7.262  12.573          0.021
+ATOM     25  CB  ALA    13      -5.939  -7.097  13.025          0.056
+ATOM     26  CA  CYS    14      -5.763  -4.523   9.967          0.063
+ATOM     27  CB  CYS    14      -4.903  -4.942   9.083          0.041
+ATOM     28  CA  ALA    15      -9.474  -4.594   9.382          0.021
+ATOM     29  CB  ALA    15     -10.055  -4.659   9.990          0.033
+ATOM     30  CA  ALA    16      -9.470  -1.581   6.979          0.024
+ATOM     31  CB  ALA    16      -8.754  -1.371   6.867          0.058
+ATOM     32  CA  ALA    17     -13.154  -2.081   6.198          0.022
+ATOM     33  CB  ALA    17     -13.402  -2.617   6.568          0.042
+ATOM     34  CA  GLY    18     -13.665   1.305   4.567          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  114.93                                       ENERGY    -1.86800E+01
+ATOM      1  CA  GLY     1       6.296  -0.323   0.772          0.046
+ATOM      2  CA  ALA     2       2.835   0.595  -0.460          0.026
+ATOM      3  CB  ALA     2       2.673   1.011  -1.057          0.217
+ATOM      4  CA  ALA     3       1.389  -2.769   0.794          0.038
+ATOM      5  CB  ALA     3       1.421  -3.457   0.490          0.067
+ATOM      6  CA  ALA     4       0.875  -2.006   4.474          0.039
+ATOM      7  CB  ALA     4       0.716  -1.433   4.785          0.079
+ATOM      8  CA  CYS     5      -2.063  -4.333   4.396          0.002
+ATOM      9  CB  CYS     5      -2.324  -4.064   3.199          0.038
+ATOM     10  CA  ALA     6      -0.024  -7.405   5.106          0.007
+ATOM     11  CB  ALA     6       0.224  -7.671   4.423          0.025
+ATOM     12  CA  ALA     7       2.249  -5.300   7.273          0.015
+ATOM     13  CB  ALA     7       2.652  -5.024   6.700          0.026
+ATOM     14  CA  ALA     8      -0.562  -5.235   9.829          0.012
+ATOM     15  CB  ALA     8      -0.981  -4.744  10.209          0.043
+ATOM     16  CA  ALA     9      -1.389  -8.906   9.174          0.064
+ATOM     17  CB  ALA     9      -1.764  -8.965   8.535          0.020
+ATOM     18  CA  ALA    10       1.893 -10.054  10.738          0.013
+ATOM     19  CB  ALA    10       2.588  -9.771  10.813          0.090
+ATOM     20  CA  ALA    11      -0.017 -11.135  13.742          0.031
+ATOM     21  CB  ALA    11      -0.006 -11.779  14.135          0.011
+ATOM     22  CA  ALA    12      -1.217  -7.590  14.188          0.022
+ATOM     23  CB  ALA    12      -0.925  -6.971  14.284          0.039
+ATOM     24  CA  ALA    13      -4.515  -6.793  12.721          0.002
+ATOM     25  CB  ALA    13      -5.086  -6.579  13.001          0.058
+ATOM     26  CA  CYS    14      -5.705  -4.452   9.885          0.000
+ATOM     27  CB  CYS    14      -5.057  -4.715   8.911          0.030
+ATOM     28  CA  ALA    15      -9.441  -4.698   9.117          0.031
+ATOM     29  CB  ALA    15     -10.130  -4.584   9.327          0.121
+ATOM     30  CA  ALA    16      -9.215  -1.422   7.245          0.038
+ATOM     31  CB  ALA    16      -8.687  -1.406   6.777          0.038
+ATOM     32  CA  ALA    17     -12.262  -2.045   4.947          0.060
+ATOM     33  CB  ALA    17     -12.714  -2.225   5.578          0.090
+ATOM     34  CA  GLY    18     -12.907   1.560   4.170          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  119.93                                       ENERGY    -2.55490E+01
+ATOM      1  CA  GLY     1       5.852   0.674   0.156          0.048
+ATOM      2  CA  ALA     2       2.046   0.820   0.552          0.034
+ATOM      3  CB  ALA     2       1.799   1.107  -0.147          0.051
+ATOM      4  CA  ALA     3       0.995  -2.758   0.966          0.017
+ATOM      5  CB  ALA     3       1.664  -3.087   0.749          0.060
+ATOM      6  CA  ALA     4       0.681  -2.126   4.701          0.029
+ATOM      7  CB  ALA     4       0.537  -1.360   4.924          0.016
+ATOM      8  CA  CYS     5      -2.429  -4.377   4.915          0.015
+ATOM      9  CB  CYS     5      -3.111  -4.308   3.909          0.112
+ATOM     10  CA  ALA     6      -0.393  -7.577   4.878          0.032
+ATOM     11  CB  ALA     6      -0.051  -8.133   4.465          0.020
+ATOM     12  CA  ALA     7       2.427  -5.941   6.930          0.011
+ATOM     13  CB  ALA     7       2.456  -5.230   7.113          0.071
+ATOM     14  CA  ALA     8       0.058  -5.393   9.782          0.010
+ATOM     15  CB  ALA     8      -0.514  -4.856   9.755          0.113
+ATOM     16  CA  ALA     9      -1.687  -8.743   9.168          0.023
+ATOM     17  CB  ALA     9      -1.677  -9.232   8.643          0.023
+ATOM     18  CA  ALA    10       1.322 -10.737  10.452          0.012
+ATOM     19  CB  ALA    10       2.035 -10.464  10.317          0.083
+ATOM     20  CA  ALA    11       0.089 -10.872  14.076          0.002
+ATOM     21  CB  ALA    11       0.537 -10.908  14.604          0.084
+ATOM     22  CA  ALA    12      -0.625  -7.090  14.155          0.012
+ATOM     23  CB  ALA    12      -0.162  -6.960  13.653          0.100
+ATOM     24  CA  ALA    13      -4.300  -6.667  13.261          0.047
+ATOM     25  CB  ALA    13      -4.596  -6.547  13.947          0.037
+ATOM     26  CA  CYS    14      -5.451  -4.875  10.034          0.046
+ATOM     27  CB  CYS    14      -4.927  -5.427   9.009          0.043
+ATOM     28  CA  ALA    15      -9.048  -4.344   8.899          0.012
+ATOM     29  CB  ALA    15      -9.579  -4.615   9.207          0.083
+ATOM     30  CA  ALA    16      -9.205  -1.214   6.627          0.024
+ATOM     31  CB  ALA    16      -8.543  -0.949   6.380          0.082
+ATOM     32  CA  ALA    17     -11.910  -1.691   4.036          0.075
+ATOM     33  CB  ALA    17     -12.537  -2.131   4.057          0.220
+ATOM     34  CA  GLY    18     -12.147   2.012   3.387          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  124.91                                       ENERGY    -2.97750E+01
+ATOM      1  CA  GLY     1       4.950   1.678  -0.497          0.041
+ATOM      2  CA  ALA     2       1.581   0.767   1.041          0.006
+ATOM      3  CB  ALA     2       1.016   1.155   0.975          0.117
+ATOM      4  CA  ALA     3       0.467  -2.885   1.424          0.004
+ATOM      5  CB  ALA     3       1.104  -3.299   1.244          0.200
+ATOM      6  CA  ALA     4       0.389  -2.429   5.186          0.039
+ATOM      7  CB  ALA     4       0.727  -1.977   5.677          0.111
+ATOM      8  CA  CYS     5      -2.644  -4.582   5.443          0.003
+ATOM      9  CB  CYS     5      -3.633  -4.059   4.879          0.084
+ATOM     10  CA  ALA     6      -0.629  -7.771   4.893          0.003
+ATOM     11  CB  ALA     6      -0.364  -7.954   4.230          0.091
+ATOM     12  CA  ALA     7       2.353  -6.463   6.821          0.011
+ATOM     13  CB  ALA     7       2.830  -6.111   6.448          0.067
+ATOM     14  CA  ALA     8      -0.085  -5.646   9.604          0.029
+ATOM     15  CB  ALA     8      -0.140  -4.859   9.549          0.021
+ATOM     16  CA  ALA     9      -1.639  -9.060   9.113          0.013
+ATOM     17  CB  ALA     9      -1.888  -9.367   8.431          0.064
+ATOM     18  CA  ALA    10       1.599 -10.619  10.277          0.036
+ATOM     19  CB  ALA    10       2.192 -10.285  10.309          0.048
+ATOM     20  CA  ALA    11       0.388 -10.685  13.862          0.045
+ATOM     21  CB  ALA    11       0.560 -10.859  14.544          0.004
+ATOM     22  CA  ALA    12      -0.141  -6.828  14.047          0.009
+ATOM     23  CB  ALA    12       0.359  -6.844  13.498          0.036
+ATOM     24  CA  ALA    13      -3.930  -6.552  13.681          0.038
+ATOM     25  CB  ALA    13      -4.353  -6.523  14.238          0.052
+ATOM     26  CA  CYS    14      -5.402  -5.018  10.551          0.040
+ATOM     27  CB  CYS    14      -4.837  -5.308   9.487          0.015
+ATOM     28  CA  ALA    15      -8.597  -4.639   8.524          0.046
+ATOM     29  CB  ALA    15      -9.238  -4.432   8.935          0.023
+ATOM     30  CA  ALA    16      -8.918  -1.834   6.017          0.049
+ATOM     31  CB  ALA    16      -8.354  -1.441   5.879          0.143
+ATOM     32  CA  ALA    17     -11.458  -0.675   3.400          0.069
+ATOM     33  CB  ALA    17     -11.976  -1.112   3.172          0.070
+ATOM     34  CA  GLY    18     -12.326   2.439   1.512          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  129.91                                       ENERGY    -1.84409E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       3.175   2.154  -1.331          0.093
+ATOM      2  CA  ALA     2       1.197   0.784   1.657          0.025
+ATOM      3  CB  ALA     2       0.605   1.091   1.959          0.036
+ATOM      4  CA  ALA     3       0.277  -2.911   1.770          0.026
+ATOM      5  CB  ALA     3      -0.140  -3.448   1.937          0.017
+ATOM      6  CA  ALA     4       0.282  -2.427   5.584          0.006
+ATOM      7  CB  ALA     4       0.357  -1.807   6.037          0.067
+ATOM      8  CA  CYS     5      -2.714  -4.777   5.919          0.006
+ATOM      9  CB  CYS     5      -3.220  -3.926   5.171          0.030
+ATOM     10  CA  ALA     6      -0.847  -7.773   4.582          0.008
+ATOM     11  CB  ALA     6      -0.824  -7.815   3.805          0.019
+ATOM     12  CA  ALA     7       2.301  -7.278   6.640          0.014
+ATOM     13  CB  ALA     7       2.615  -6.652   6.283          0.015
+ATOM     14  CA  ALA     8       0.430  -5.746   9.554          0.008
+ATOM     15  CB  ALA     8      -0.208  -5.352   9.743          0.167
+ATOM     16  CA  ALA     9      -1.673  -8.890   9.714          0.018
+ATOM     17  CB  ALA     9      -1.515  -9.114   8.954          0.017
+ATOM     18  CA  ALA    10       1.623 -10.564  10.329          0.031
+ATOM     19  CB  ALA    10       2.178 -10.347   9.814          0.080
+ATOM     20  CA  ALA    11       0.888 -10.864  14.041          0.022
+ATOM     21  CB  ALA    11       1.164 -11.416  14.480          0.067
+ATOM     22  CA  ALA    12      -0.059  -7.199  14.162          0.000
+ATOM     23  CB  ALA    12      -0.009  -6.569  13.909          0.022
+ATOM     24  CA  ALA    13      -3.689  -6.716  13.253          0.011
+ATOM     25  CB  ALA    13      -3.938  -6.350  13.914          0.078
+ATOM     26  CA  CYS    14      -5.335  -4.659  10.494          0.010
+ATOM     27  CB  CYS    14      -4.648  -4.941   9.553          0.055
+ATOM     28  CA  ALA    15      -8.393  -4.499   8.174          0.006
+ATOM     29  CB  ALA    15      -9.125  -4.463   8.428          0.069
+ATOM     30  CA  ALA    16      -9.005  -1.598   5.806          0.019
+ATOM     31  CB  ALA    16      -8.301  -1.411   5.625          0.139
+ATOM     32  CA  ALA    17     -11.279  -0.476   2.927          0.043
+ATOM     33  CB  ALA    17     -11.979  -0.544   3.161          0.091
+ATOM     34  CA  GLY    18     -11.105   2.178   0.148          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  134.91                                       ENERGY    -2.04981E+01
+ATOM      1  CA  GLY     1       0.816   2.415  -2.043          0.072
+ATOM      2  CA  ALA     2       1.118   0.980   1.435          0.023
+ATOM      3  CB  ALA     2       1.165   1.397   2.073          0.033
+ATOM      4  CA  ALA     3      -0.187  -2.461   2.049          0.051
+ATOM      5  CB  ALA     3       0.221  -2.877   1.702          0.056
+ATOM      6  CA  ALA     4       0.516  -2.696   5.704          0.019
+ATOM      7  CB  ALA     4       0.758  -2.073   6.163          0.001
+ATOM      8  CA  CYS     5      -2.839  -4.473   6.091          0.001
+ATOM      9  CB  CYS     5      -3.349  -3.984   5.023          0.006
+ATOM     10  CA  ALA     6      -1.207  -7.803   5.164          0.002
+ATOM     11  CB  ALA     6      -1.055  -7.912   4.453          0.022
+ATOM     12  CA  ALA     7       2.167  -6.691   6.493          0.022
+ATOM     13  CB  ALA     7       2.614  -6.208   6.008          0.028
+ATOM     14  CA  ALA     8       0.417  -6.088   9.913          0.043
+ATOM     15  CB  ALA     8       0.317  -5.390  10.242          0.007
+ATOM     16  CA  ALA     9      -1.415  -9.413   9.467          0.021
+ATOM     17  CB  ALA     9      -1.720  -9.946   9.095          0.077
+ATOM     18  CA  ALA    10       1.914 -11.085  10.365          0.020
+ATOM     19  CB  ALA    10       2.175 -10.528  10.058          0.114
+ATOM     20  CA  ALA    11       0.959 -10.969  13.988          0.016
+ATOM     21  CB  ALA    11       1.431 -10.879  14.499          0.047
+ATOM     22  CA  ALA    12      -0.539  -7.495  14.349          0.016
+ATOM     23  CB  ALA    12       0.123  -7.145  14.057          0.165
+ATOM     24  CA  ALA    13      -4.033  -6.844  12.949          0.020
+ATOM     25  CB  ALA    13      -4.321  -6.416  13.564          0.001
+ATOM     26  CA  CYS    14      -5.475  -4.542  10.228          0.008
+ATOM     27  CB  CYS    14      -4.585  -5.043   9.586          0.027
+ATOM     28  CA  ALA    15      -8.460  -3.491   8.209          0.019
+ATOM     29  CB  ALA    15      -9.073  -3.628   8.597          0.139
+ATOM     30  CA  ALA    16      -8.265  -1.260   5.204          0.011
+ATOM     31  CB  ALA    16      -7.736  -1.508   4.788          0.101
+ATOM     32  CA  ALA    17     -11.433  -0.709   3.134          0.058
+ATOM     33  CB  ALA    17     -12.023  -0.326   3.343          0.029
+ATOM     34  CA  GLY    18      -9.280   0.915   0.419          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  139.89                                       ENERGY    -2.31940E+01
+ATOM      1  CA  GLY     1      -1.147   2.530  -1.672          0.047
+ATOM      2  CA  ALA     2       0.992   1.241   1.164          0.054
+ATOM      3  CB  ALA     2       1.278   1.601   1.640          0.008
+ATOM      4  CA  ALA     3      -0.307  -2.300   1.624          0.038
+ATOM      5  CB  ALA     3      -0.274  -2.831   1.076          0.002
+ATOM      6  CA  ALA     4       0.741  -2.449   5.338          0.018
+ATOM      7  CB  ALA     4       0.509  -1.839   5.462          0.103
+ATOM      8  CA  CYS     5      -2.658  -4.133   5.869          0.019
+ATOM      9  CB  CYS     5      -2.935  -4.028   4.682          0.014
+ATOM     10  CA  ALA     6      -1.087  -7.494   4.938          0.033
+ATOM     11  CB  ALA     6      -1.005  -8.008   4.345          0.033
+ATOM     12  CA  ALA     7       2.056  -6.358   6.678          0.014
+ATOM     13  CB  ALA     7       2.448  -5.870   6.511          0.009
+ATOM     14  CA  ALA     8       0.270  -5.994  10.010          0.043
+ATOM     15  CB  ALA     8       0.035  -5.303  10.241          0.001
+ATOM     16  CA  ALA     9      -1.210  -9.500   9.556          0.041
+ATOM     17  CB  ALA     9      -1.696  -9.762   8.970          0.079
+ATOM     18  CA  ALA    10       2.048 -11.140  10.726          0.016
+ATOM     19  CB  ALA    10       2.725 -10.900  10.455          0.139
+ATOM     20  CA  ALA    11       0.856 -11.294  14.274          0.028
+ATOM     21  CB  ALA    11       1.132 -11.347  14.966          0.043
+ATOM     22  CA  ALA    12      -0.982  -7.967  14.181          0.098
+ATOM     23  CB  ALA    12      -0.429  -7.694  13.681          0.028
+ATOM     24  CA  ALA    13      -4.630  -7.176  13.321          0.090
+ATOM     25  CB  ALA    13      -4.830  -6.647  13.875          0.036
+ATOM     26  CA  CYS    14      -5.177  -4.598  10.603          0.018
+ATOM     27  CB  CYS    14      -4.521  -5.272   9.825          0.009
+ATOM     28  CA  ALA    15      -8.110  -3.015   8.780          0.010
+ATOM     29  CB  ALA    15      -8.529  -2.390   8.983          0.047
+ATOM     30  CA  ALA    16      -7.921  -1.816   5.207          0.015
+ATOM     31  CB  ALA    16      -7.593  -2.232   4.674          0.125
+ATOM     32  CA  ALA    17     -10.805  -0.653   3.009          0.005
+ATOM     33  CB  ALA    17     -11.136  -0.015   3.201          0.061
+ATOM     34  CA  GLY    18      -8.937   0.618   0.012          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  144.89                                       ENERGY    -1.67012E+01
+ATOM      1  CA  GLY     1      -2.131   3.510  -1.432          0.051
+ATOM      2  CA  ALA     2       0.483   1.359   0.405          0.043
+ATOM      3  CB  ALA     2       0.355   1.431   1.165          0.083
+ATOM      4  CA  ALA     3      -0.290  -2.226   0.952          0.067
+ATOM      5  CB  ALA     3      -0.218  -2.850   0.614          0.063
+ATOM      6  CA  ALA     4       0.733  -2.263   4.548          0.022
+ATOM      7  CB  ALA     4       0.791  -1.535   4.741          0.010
+ATOM      8  CA  CYS     5      -2.404  -4.089   5.508          0.003
+ATOM      9  CB  CYS     5      -3.235  -4.170   4.566          0.005
+ATOM     10  CA  ALA     6      -0.597  -7.324   4.671          0.028
+ATOM     11  CB  ALA     6      -0.550  -7.244   4.028          0.044
+ATOM     12  CA  ALA     7       2.337  -6.447   6.932          0.016
+ATOM     13  CB  ALA     7       2.715  -5.849   6.655          0.013
+ATOM     14  CA  ALA     8      -0.035  -5.812   9.812          0.005
+ATOM     15  CB  ALA     8      -0.338  -5.463  10.314          0.099
+ATOM     16  CA  ALA     9      -1.305  -9.438   9.708          0.006
+ATOM     17  CB  ALA     9      -1.208  -9.645   8.924          0.056
+ATOM     18  CA  ALA    10       2.075 -10.634  11.030          0.030
+ATOM     19  CB  ALA    10       2.293 -10.026  11.437          0.018
+ATOM     20  CA  ALA    11       0.366 -12.041  14.100          0.023
+ATOM     21  CB  ALA    11       0.518 -12.384  14.765          0.126
+ATOM     22  CA  ALA    12      -1.297  -8.613  14.846          0.024
+ATOM     23  CB  ALA    12      -0.884  -8.013  14.638          0.045
+ATOM     24  CA  ALA    13      -4.537  -6.891  13.966          0.021
+ATOM     25  CB  ALA    13      -4.968  -7.331  14.474          0.002
+ATOM     26  CA  CYS    14      -5.107  -4.779  10.867          0.035
+ATOM     27  CB  CYS    14      -4.550  -5.367   9.910          0.011
+ATOM     28  CA  ALA    15      -7.903  -2.899   9.093          0.013
+ATOM     29  CB  ALA    15      -7.908  -2.170   9.405          0.008
+ATOM     30  CA  ALA    16      -7.582  -2.145   5.379          0.015
+ATOM     31  CB  ALA    16      -7.557  -2.908   5.301          0.019
+ATOM     32  CA  ALA    17      -9.724  -0.279   2.952          0.022
+ATOM     33  CB  ALA    17      -9.955   0.356   3.184          0.285
+ATOM     34  CA  GLY    18      -9.141   0.187  -0.789          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  149.89                                       ENERGY    -1.84353E+01
+ATOM      1  CA  GLY     1      -2.387   4.232  -1.491          0.004
+ATOM      2  CA  ALA     2      -0.609   1.180   0.025          0.025
+ATOM      3  CB  ALA     2      -0.353   1.629   0.584          0.105
+ATOM      4  CA  ALA     3      -0.690  -2.498   0.507          0.014
+ATOM      5  CB  ALA     3      -0.182  -2.821   0.060          0.022
+ATOM      6  CA  ALA     4       0.782  -2.117   4.038          0.000
+ATOM      7  CB  ALA     4       1.060  -1.503   4.426          0.119
+ATOM      8  CA  CYS     5      -2.225  -4.100   5.212          0.012
+ATOM      9  CB  CYS     5      -3.154  -3.706   4.489          0.018
+ATOM     10  CA  ALA     6      -0.278  -7.370   4.965          0.009
+ATOM     11  CB  ALA     6      -0.021  -8.020   4.487          0.097
+ATOM     12  CA  ALA     7       2.495  -5.944   7.132          0.007
+ATOM     13  CB  ALA     7       2.751  -5.469   6.683          0.116
+ATOM     14  CA  ALA     8       0.185  -5.504  10.047          0.041
+ATOM     15  CB  ALA     8      -0.111  -4.874   9.888          0.052
+ATOM     16  CA  ALA     9      -0.970  -8.988   9.371          0.014
+ATOM     17  CB  ALA     9      -1.142  -9.279   8.743          0.010
+ATOM     18  CA  ALA    10       1.794 -10.395  11.536          0.024
+ATOM     19  CB  ALA    10       2.421 -10.164  11.769          0.010
+ATOM     20  CA  ALA    11      -0.635 -12.098  13.792          0.003
+ATOM     21  CB  ALA    11      -0.652 -12.831  13.969          0.081
+ATOM     22  CA  ALA    12      -1.462  -8.911  15.700          0.040
+ATOM     23  CB  ALA    12      -0.828  -8.480  15.671          0.072
+ATOM     24  CA  ALA    13      -4.468  -7.351  13.917          0.009
+ATOM     25  CB  ALA    13      -4.908  -7.234  14.444          0.043
+ATOM     26  CA  CYS    14      -5.327  -5.380  10.824          0.036
+ATOM     27  CB  CYS    14      -4.549  -5.727  10.016          0.048
+ATOM     28  CA  ALA    15      -7.751  -2.800   9.363          0.018
+ATOM     29  CB  ALA    15      -7.767  -2.106   9.672          0.055
+ATOM     30  CA  ALA    16      -7.503  -2.487   5.582          0.029
+ATOM     31  CB  ALA    16      -7.800  -3.076   5.350          0.002
+ATOM     32  CA  ALA    17      -8.694   0.085   3.056          0.045
+ATOM     33  CB  ALA    17      -8.186   0.639   3.146          0.076
+ATOM     34  CA  GLY    18      -9.275  -0.548  -0.548          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  154.87                                       ENERGY    -1.81805E+01
+ATOM      1  CA  GLY     1      -3.043   3.470  -2.275          0.033
+ATOM      2  CA  ALA     2      -1.103   1.537   0.407          0.013
+ATOM      3  CB  ALA     2      -0.708   1.425   0.981          0.051
+ATOM      4  CA  ALA     3      -1.099  -2.185   0.240          0.018
+ATOM      5  CB  ALA     3      -0.851  -2.350  -0.450          0.057
+ATOM      6  CA  ALA     4       1.047  -2.424   3.359          0.006
+ATOM      7  CB  ALA     4       1.389  -1.932   3.729          0.045
+ATOM      8  CA  CYS     5      -1.991  -3.683   5.241          0.045
+ATOM      9  CB  CYS     5      -3.022  -3.549   4.429          0.063
+ATOM     10  CA  ALA     6      -0.352  -7.093   5.164          0.019
+ATOM     11  CB  ALA     6       0.140  -7.504   4.884          0.102
+ATOM     12  CA  ALA     7       2.792  -5.894   6.939          0.035
+ATOM     13  CB  ALA     7       2.804  -5.198   6.646          0.037
+ATOM     14  CA  ALA     8       0.767  -5.318  10.077          0.012
+ATOM     15  CB  ALA     8       0.555  -4.617  10.278          0.080
+ATOM     16  CA  ALA     9      -1.023  -8.571   9.477          0.017
+ATOM     17  CB  ALA     9      -0.924  -8.825   8.845          0.037
+ATOM     18  CA  ALA    10       1.443 -10.484  11.596          0.020
+ATOM     19  CB  ALA    10       1.963 -10.155  12.064          0.044
+ATOM     20  CA  ALA    11      -1.386 -12.319  13.512          0.007
+ATOM     21  CB  ALA    11      -1.005 -12.915  13.839          0.004
+ATOM     22  CA  ALA    12      -1.820  -9.188  15.705          0.012
+ATOM     23  CB  ALA    12      -1.569  -8.629  15.327          0.062
+ATOM     24  CA  ALA    13      -4.700  -7.278  14.171          0.034
+ATOM     25  CB  ALA    13      -4.974  -7.306  14.850          0.072
+ATOM     26  CA  CYS    14      -5.102  -5.584  10.711          0.006
+ATOM     27  CB  CYS    14      -4.301  -5.675   9.770          0.031
+ATOM     28  CA  ALA    15      -7.591  -3.006   9.438          0.005
+ATOM     29  CB  ALA    15      -7.765  -2.489   9.926          0.033
+ATOM     30  CA  ALA    16      -7.661  -2.744   5.616          0.005
+ATOM     31  CB  ALA    16      -8.081  -3.374   5.371          0.046
+ATOM     32  CA  ALA    17      -7.683   0.281   3.418          0.043
+ATOM     33  CB  ALA    17      -7.186   0.816   3.201          0.097
+ATOM     34  CA  GLY    18      -8.732  -1.436   0.264          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  159.87                                       ENERGY    -2.02262E+01
+ATOM      1  CA  GLY     1      -3.190   2.346  -2.633          0.040
+ATOM      2  CA  ALA     2      -1.752   1.755   0.896          0.046
+ATOM      3  CB  ALA     2      -2.467   1.721   1.278          0.148
+ATOM      4  CA  ALA     3      -1.370  -1.928   0.010          0.028
+ATOM      5  CB  ALA     3      -1.305  -2.142  -0.661          0.007
+ATOM      6  CA  ALA     4       1.231  -2.242   2.821          0.031
+ATOM      7  CB  ALA     4       1.794  -1.860   3.076          0.069
+ATOM      8  CA  CYS     5      -1.562  -3.450   5.183          0.004
+ATOM      9  CB  CYS     5      -2.309  -3.190   4.195          0.036
+ATOM     10  CA  ALA     6      -0.139  -6.985   5.243          0.030
+ATOM     11  CB  ALA     6      -0.438  -7.339   4.659          0.061
+ATOM     12  CA  ALA     7       3.026  -5.833   6.976          0.007
+ATOM     13  CB  ALA     7       3.453  -5.422   6.621          0.053
+ATOM     14  CA  ALA     8       0.918  -5.485  10.113          0.016
+ATOM     15  CB  ALA     8       0.648  -4.899  10.307          0.057
+ATOM     16  CA  ALA     9      -0.998  -8.703   9.527          0.043
+ATOM     17  CB  ALA     9      -1.359  -9.052   8.947          0.042
+ATOM     18  CA  ALA    10       1.645 -10.654  11.476          0.014
+ATOM     19  CB  ALA    10       2.074 -10.195  11.862          0.119
+ATOM     20  CA  ALA    11      -1.211 -12.322  13.439          0.019
+ATOM     21  CB  ALA    11      -1.409 -13.010  13.749          0.059
+ATOM     22  CA  ALA    12      -2.107  -9.029  15.235          0.009
+ATOM     23  CB  ALA    12      -1.405  -8.929  15.336          0.008
+ATOM     24  CA  ALA    13      -5.365  -7.230  14.360          0.055
+ATOM     25  CB  ALA    13      -5.690  -7.165  15.005          0.121
+ATOM     26  CA  CYS    14      -5.112  -5.134  11.227          0.026
+ATOM     27  CB  CYS    14      -4.368  -5.411  10.212          0.029
+ATOM     28  CA  ALA    15      -7.970  -3.276   9.547          0.008
+ATOM     29  CB  ALA    15      -7.744  -2.611   9.721          0.012
+ATOM     30  CA  ALA    16      -8.091  -2.795   5.841          0.012
+ATOM     31  CB  ALA    16      -8.495  -2.892   5.192          0.013
+ATOM     32  CA  ALA    17      -6.905   0.041   3.504          0.071
+ATOM     33  CB  ALA    17      -6.501   0.512   3.945          0.029
+ATOM     34  CA  GLY    18      -7.222  -1.992   0.237          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  164.87                                       ENERGY    -1.26689E+01
+ATOM      1  CA  GLY     1      -3.344   2.428  -2.665          0.003
+ATOM      2  CA  ALA     2      -2.569   1.524   0.901          0.016
+ATOM      3  CB  ALA     2      -3.255   1.610   0.948          0.128
+ATOM      4  CA  ALA     3      -1.433  -2.018   0.139          0.018
+ATOM      5  CB  ALA     3      -1.028  -2.218  -0.492          0.005
+ATOM      6  CA  ALA     4       1.441  -2.308   2.547          0.015
+ATOM      7  CB  ALA     4       1.955  -1.770   2.804          0.048
+ATOM      8  CA  CYS     5      -0.835  -2.923   5.571          0.018
+ATOM      9  CB  CYS     5      -1.799  -2.950   4.770          0.041
+ATOM     10  CA  ALA     6      -0.494  -6.627   5.010          0.026
+ATOM     11  CB  ALA     6      -0.401  -6.911   4.377          0.136
+ATOM     12  CA  ALA     7       2.807  -6.388   6.794          0.015
+ATOM     13  CB  ALA     7       3.304  -5.976   7.192          0.003
+ATOM     14  CA  ALA     8       0.993  -5.643  10.110          0.023
+ATOM     15  CB  ALA     8       0.650  -4.901  10.088          0.028
+ATOM     16  CA  ALA     9      -1.118  -8.716   9.400          0.003
+ATOM     17  CB  ALA     9      -0.785  -8.995   8.810          0.008
+ATOM     18  CA  ALA    10       1.479 -10.958  11.168          0.009
+ATOM     19  CB  ALA    10       2.092 -10.702  11.607          0.104
+ATOM     20  CA  ALA    11      -0.947 -12.407  13.693          0.021
+ATOM     21  CB  ALA    11      -1.193 -12.875  14.192          0.018
+ATOM     22  CA  ALA    12      -2.001  -9.053  15.154          0.020
+ATOM     23  CB  ALA    12      -1.741  -8.257  15.124          0.034
+ATOM     24  CA  ALA    13      -5.260  -7.658  13.884          0.027
+ATOM     25  CB  ALA    13      -5.407  -7.014  14.352          0.083
+ATOM     26  CA  CYS    14      -5.511  -4.698  11.408          0.016
+ATOM     27  CB  CYS    14      -4.701  -5.092  10.555          0.006
+ATOM     28  CA  ALA    15      -8.313  -2.998   9.556          0.006
+ATOM     29  CB  ALA    15      -8.485  -2.281   9.503          0.031
+ATOM     30  CA  ALA    16      -8.105  -3.002   5.729          0.019
+ATOM     31  CB  ALA    16      -8.745  -3.306   5.556          0.003
+ATOM     32  CA  ALA    17      -6.231  -0.254   3.776          0.023
+ATOM     33  CB  ALA    17      -5.518  -0.063   3.802          0.011
+ATOM     34  CA  GLY    18      -7.182  -1.668   0.344          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  169.82                                       ENERGY    -1.74492E+01
+ATOM      1  CA  GLY     1      -3.273   1.672  -2.829          0.033
+ATOM      2  CA  ALA     2      -2.390   1.341   0.891          0.002
+ATOM      3  CB  ALA     2      -1.960   1.573   1.510          0.056
+ATOM      4  CA  ALA     3      -1.334  -2.233   0.407          0.006
+ATOM      5  CB  ALA     3      -1.212  -2.587  -0.253          0.105
+ATOM      6  CA  ALA     4       1.558  -1.654   2.834          0.004
+ATOM      7  CB  ALA     4       1.764  -1.020   3.143          0.049
+ATOM      8  CA  CYS     5      -0.777  -2.908   5.547          0.030
+ATOM      9  CB  CYS     5      -1.668  -2.698   4.690          0.038
+ATOM     10  CA  ALA     6      -0.209  -6.538   4.642          0.020
+ATOM     11  CB  ALA     6       0.066  -6.736   3.955          0.013
+ATOM     12  CA  ALA     7       2.733  -6.696   7.081          0.018
+ATOM     13  CB  ALA     7       3.305  -6.687   6.595          0.086
+ATOM     14  CA  ALA     8       0.454  -5.825   9.985          0.099
+ATOM     15  CB  ALA     8       0.156  -5.207  10.325          0.083
+ATOM     16  CA  ALA     9      -1.382  -9.123   9.525          0.018
+ATOM     17  CB  ALA     9      -1.989  -9.249   8.997          0.011
+ATOM     18  CA  ALA    10       1.431 -11.010  11.169          0.018
+ATOM     19  CB  ALA    10       2.043 -10.721  11.494          0.023
+ATOM     20  CA  ALA    11      -0.824 -12.037  14.048          0.041
+ATOM     21  CB  ALA    11      -0.486 -12.628  14.265          0.023
+ATOM     22  CA  ALA    12      -1.907  -8.470  14.945          0.061
+ATOM     23  CB  ALA    12      -1.199  -8.477  14.644          0.063
+ATOM     24  CA  ALA    13      -5.197  -7.757  13.163          0.018
+ATOM     25  CB  ALA    13      -5.326  -7.693  13.986          0.007
+ATOM     26  CA  CYS    14      -5.333  -4.414  11.280          0.007
+ATOM     27  CB  CYS    14      -4.616  -4.334  10.333          0.025
+ATOM     28  CA  ALA    15      -8.413  -2.925   9.674          0.017
+ATOM     29  CB  ALA    15      -8.980  -2.460   9.897          0.088
+ATOM     30  CA  ALA    16      -8.114  -3.271   5.851          0.058
+ATOM     31  CB  ALA    16      -8.457  -3.449   5.232          0.015
+ATOM     32  CA  ALA    17      -6.743  -0.248   3.992          0.001
+ATOM     33  CB  ALA    17      -6.186   0.147   4.287          0.042
+ATOM     34  CA  GLY    18      -7.263  -1.812   0.609          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  174.82                                       ENERGY    -1.75442E+01
+ATOM      1  CA  GLY     1      -3.962   1.565  -2.446          0.012
+ATOM      2  CA  ALA     2      -1.684   1.228   0.595          0.032
+ATOM      3  CB  ALA     2      -2.393   1.262   0.725          0.027
+ATOM      4  CA  ALA     3      -0.338  -2.266   0.587          0.059
+ATOM      5  CB  ALA     3      -0.319  -2.835   0.148          0.095
+ATOM      6  CA  ALA     4       1.907  -1.673   3.633          0.023
+ATOM      7  CB  ALA     4       2.353  -1.149   3.743          0.075
+ATOM      8  CA  CYS     5      -0.878  -3.136   5.728          0.007
+ATOM      9  CB  CYS     5      -1.906  -2.702   5.186          0.035
+ATOM     10  CA  ALA     6      -0.329  -6.687   4.527          0.002
+ATOM     11  CB  ALA     6      -0.244  -7.029   3.837          0.044
+ATOM     12  CA  ALA     7       2.387  -7.160   7.182          0.028
+ATOM     13  CB  ALA     7       2.841  -6.541   7.287          0.025
+ATOM     14  CA  ALA     8       0.044  -6.059   9.838          0.028
+ATOM     15  CB  ALA     8      -0.047  -5.341   9.874          0.026
+ATOM     16  CA  ALA     9      -1.869  -9.332   9.453          0.008
+ATOM     17  CB  ALA     9      -2.111  -9.659   8.863          0.146
+ATOM     18  CA  ALA    10       1.301 -10.968  10.693          0.016
+ATOM     19  CB  ALA    10       1.858 -10.511  10.877          0.011
+ATOM     20  CA  ALA    11      -0.485 -11.973  13.899          0.031
+ATOM     21  CB  ALA    11      -0.100 -12.018  14.452          0.029
+ATOM     22  CA  ALA    12      -1.343  -8.356  14.783          0.040
+ATOM     23  CB  ALA    12      -1.334  -7.673  14.599          0.035
+ATOM     24  CA  ALA    13      -4.415  -7.533  12.685          0.003
+ATOM     25  CB  ALA    13      -5.060  -7.449  13.084          0.223
+ATOM     26  CA  CYS    14      -5.071  -3.970  11.411          0.020
+ATOM     27  CB  CYS    14      -4.910  -3.991  10.210          0.006
+ATOM     28  CA  ALA    15      -8.427  -3.685   9.697          0.036
+ATOM     29  CB  ALA    15      -8.749  -3.120  10.065          0.086
+ATOM     30  CA  ALA    16      -8.030  -3.025   6.002          0.004
+ATOM     31  CB  ALA    16      -8.539  -3.358   5.571          0.025
+ATOM     32  CA  ALA    17      -7.868   0.143   3.845          0.028
+ATOM     33  CB  ALA    17      -7.646   0.822   4.068          0.091
+ATOM     34  CA  GLY    18      -6.509  -1.913   0.884          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  179.82                                       ENERGY    -2.32869E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -3.665   1.916  -2.086          0.041
+ATOM      2  CA  ALA     2      -1.278   0.659   0.657          0.065
+ATOM      3  CB  ALA     2      -1.399   0.172   1.116          0.013
+ATOM      4  CA  ALA     3       0.343  -2.781   0.713          0.089
+ATOM      5  CB  ALA     3       0.974  -2.787   0.419          0.129
+ATOM      6  CA  ALA     4       1.780  -1.955   4.121          0.044
+ATOM      7  CB  ALA     4       1.861  -1.284   4.217          0.077
+ATOM      8  CA  CYS     5      -1.389  -3.129   5.882          0.008
+ATOM      9  CB  CYS     5      -2.451  -2.645   5.588          0.046
+ATOM     10  CA  ALA     6      -0.636  -6.671   4.706          0.004
+ATOM     11  CB  ALA     6      -0.335  -6.771   4.060          0.005
+ATOM     12  CA  ALA     7       2.208  -6.845   7.159          0.003
+ATOM     13  CB  ALA     7       2.949  -6.861   7.037          0.039
+ATOM     14  CA  ALA     8      -0.220  -6.093   9.981          0.029
+ATOM     15  CB  ALA     8      -0.031  -5.374   9.790          0.066
+ATOM     16  CA  ALA     9      -1.837  -9.430   9.240          0.024
+ATOM     17  CB  ALA     9      -2.285  -9.617   8.715          0.020
+ATOM     18  CA  ALA    10       1.308 -11.170  10.329          0.013
+ATOM     19  CB  ALA    10       1.670 -10.522  10.223          0.069
+ATOM     20  CA  ALA    11      -0.189 -11.470  13.826          0.018
+ATOM     21  CB  ALA    11       0.099 -11.999  14.265          0.088
+ATOM     22  CA  ALA    12      -0.889  -7.756  14.170          0.059
+ATOM     23  CB  ALA    12      -0.334  -7.282  14.119          0.156
+ATOM     24  CA  ALA    13      -4.442  -7.280  12.959          0.033
+ATOM     25  CB  ALA    13      -4.763  -7.817  13.363          0.197
+ATOM     26  CA  CYS    14      -5.231  -4.144  10.977          0.029
+ATOM     27  CB  CYS    14      -4.750  -3.949   9.851          0.042
+ATOM     28  CA  ALA    15      -8.752  -3.475   9.684          0.003
+ATOM     29  CB  ALA    15      -9.167  -3.157  10.196          0.051
+ATOM     30  CA  ALA    16      -8.094  -2.800   6.030          0.020
+ATOM     31  CB  ALA    16      -8.022  -3.515   5.895          0.020
+ATOM     32  CA  ALA    17      -8.569   0.217   3.682          0.023
+ATOM     33  CB  ALA    17      -8.301   0.923   3.887          0.002
+ATOM     34  CA  GLY    18      -7.112  -1.806   0.900          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  184.82                                       ENERGY    -1.77686E+01
+ATOM      1  CA  GLY     1      -2.693   1.571  -1.824          0.033
+ATOM      2  CA  ALA     2      -0.844   0.258   1.324          0.014
+ATOM      3  CB  ALA     2      -1.551  -0.098   1.391          0.055
+ATOM      4  CA  ALA     3       1.209  -2.979   1.486          0.024
+ATOM      5  CB  ALA     3       1.620  -3.486   1.142          0.079
+ATOM      6  CA  ALA     4       1.840  -2.291   5.140          0.021
+ATOM      7  CB  ALA     4       1.787  -1.560   5.272          0.223
+ATOM      8  CA  CYS     5      -1.879  -3.274   5.752          0.003
+ATOM      9  CB  CYS     5      -2.893  -2.931   5.117          0.030
+ATOM     10  CA  ALA     6      -0.976  -6.811   4.514          0.007
+ATOM     11  CB  ALA     6      -1.067  -6.960   3.792          0.016
+ATOM     12  CA  ALA     7       2.268  -6.508   6.444          0.007
+ATOM     13  CB  ALA     7       2.905  -6.180   6.554          0.091
+ATOM     14  CA  ALA     8       0.235  -5.588   9.500          0.019
+ATOM     15  CB  ALA     8      -0.382  -5.377   9.758          0.062
+ATOM     16  CA  ALA     9      -2.029  -8.611   9.128          0.038
+ATOM     17  CB  ALA     9      -2.091  -8.889   8.412          0.097
+ATOM     18  CA  ALA    10       0.878 -10.930   9.881          0.051
+ATOM     19  CB  ALA    10       1.557 -11.012   9.621          0.004
+ATOM     20  CA  ALA    11       0.075 -11.375  13.561          0.018
+ATOM     21  CB  ALA    11       0.228 -11.480  14.339          0.011
+ATOM     22  CA  ALA    12      -0.221  -7.656  14.035          0.029
+ATOM     23  CB  ALA    12      -0.391  -7.610  13.285          0.102
+ATOM     24  CA  ALA    13      -3.884  -6.822  13.531          0.027
+ATOM     25  CB  ALA    13      -4.105  -7.356  13.962          0.057
+ATOM     26  CA  CYS    14      -5.654  -4.520  11.173          0.003
+ATOM     27  CB  CYS    14      -5.063  -5.021  10.178          0.080
+ATOM     28  CA  ALA    15      -8.786  -2.986   9.670          0.016
+ATOM     29  CB  ALA    15      -9.278  -2.550  10.090          0.033
+ATOM     30  CA  ALA    16      -7.923  -2.854   6.003          0.005
+ATOM     31  CB  ALA    16      -7.859  -3.113   5.255          0.017
+ATOM     32  CA  ALA    17      -9.004   0.005   3.704          0.016
+ATOM     33  CB  ALA    17      -8.904   0.735   3.922          0.037
+ATOM     34  CA  GLY    18      -7.917  -1.391   0.390          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  189.82                                       ENERGY    -2.30580E+01
+ATOM      1  CA  GLY     1      -1.499   0.983  -2.282          0.007
+ATOM      2  CA  ALA     2      -0.556  -0.122   1.232          0.046
+ATOM      3  CB  ALA     2      -1.162  -0.249   1.731          0.075
+ATOM      4  CA  ALA     3       1.695  -2.988   2.040          0.017
+ATOM      5  CB  ALA     3       2.481  -3.027   1.935          0.097
+ATOM      6  CA  ALA     4       1.106  -2.195   5.774          0.022
+ATOM      7  CB  ALA     4       1.331  -1.466   5.985          0.167
+ATOM      8  CA  CYS     5      -2.402  -3.689   5.682          0.025
+ATOM      9  CB  CYS     5      -3.319  -2.950   5.158          0.037
+ATOM     10  CA  ALA     6      -1.104  -7.096   4.510          0.036
+ATOM     11  CB  ALA     6      -1.290  -7.193   3.791          0.044
+ATOM     12  CA  ALA     7       2.111  -6.478   6.448          0.006
+ATOM     13  CB  ALA     7       2.426  -6.402   5.785          0.038
+ATOM     14  CA  ALA     8       0.153  -5.767   9.635          0.015
+ATOM     15  CB  ALA     8       0.226  -5.159   9.976          0.022
+ATOM     16  CA  ALA     9      -1.980  -8.777   8.651          0.020
+ATOM     17  CB  ALA     9      -2.252  -8.706   8.046          0.238
+ATOM     18  CA  ALA    10       1.012 -10.951   9.327          0.037
+ATOM     19  CB  ALA    10       1.758 -10.652   9.342          0.020
+ATOM     20  CA  ALA    11       0.066 -11.155  12.971          0.025
+ATOM     21  CB  ALA    11       0.464 -11.749  13.185          0.032
+ATOM     22  CA  ALA    12      -0.177  -7.438  13.984          0.068
+ATOM     23  CB  ALA    12       0.404  -6.957  13.832          0.059
+ATOM     24  CA  ALA    13      -3.849  -6.637  14.075          0.027
+ATOM     25  CB  ALA    13      -3.918  -6.553  14.748          0.018
+ATOM     26  CA  CYS    14      -5.711  -4.824  11.308          0.004
+ATOM     27  CB  CYS    14      -5.182  -5.200  10.257          0.013
+ATOM     28  CA  ALA    15      -8.694  -3.112   9.666          0.008
+ATOM     29  CB  ALA    15      -8.224  -2.544   9.825          0.019
+ATOM     30  CA  ALA    16      -8.193  -2.522   5.881          0.027
+ATOM     31  CB  ALA    16      -8.038  -3.191   6.050          0.029
+ATOM     32  CA  ALA    17      -9.752  -0.001   3.470          0.012
+ATOM     33  CB  ALA    17      -9.640   0.741   3.471          0.036
+ATOM     34  CA  GLY    18      -7.950  -0.934   0.170          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  194.82                                       ENERGY    -1.86263E+01
+ATOM      1  CA  GLY     1      -0.136   0.107  -2.843          0.063
+ATOM      2  CA  ALA     2      -0.492  -0.344   0.998          0.036
+ATOM      3  CB  ALA     2      -0.889  -0.198   1.541          0.011
+ATOM      4  CA  ALA     3       1.893  -2.901   2.552          0.011
+ATOM      5  CB  ALA     3       2.583  -2.817   2.557          0.010
+ATOM      6  CA  ALA     4       0.646  -1.780   5.944          0.104
+ATOM      7  CB  ALA     4       0.400  -1.146   6.099          0.049
+ATOM      8  CA  CYS     5      -2.649  -3.618   5.468          0.013
+ATOM      9  CB  CYS     5      -3.571  -2.966   4.936          0.039
+ATOM     10  CA  ALA     6      -1.061  -6.794   4.293          0.053
+ATOM     11  CB  ALA     6      -0.766  -7.148   3.775          0.070
+ATOM     12  CA  ALA     7       2.018  -6.392   6.515          0.014
+ATOM     13  CB  ALA     7       2.534  -5.879   6.299          0.161
+ATOM     14  CA  ALA     8      -0.202  -6.088   9.621          0.025
+ATOM     15  CB  ALA     8      -0.345  -5.604  10.236          0.019
+ATOM     16  CA  ALA     9      -2.115  -9.294   8.729          0.007
+ATOM     17  CB  ALA     9      -2.875  -9.260   8.557          0.016
+ATOM     18  CA  ALA    10       1.178 -11.176   9.006          0.018
+ATOM     19  CB  ALA    10       1.427 -10.878   8.359          0.052
+ATOM     20  CA  ALA    11       0.492 -11.293  12.695          0.011
+ATOM     21  CB  ALA    11       0.946 -11.460  13.298          0.017
+ATOM     22  CA  ALA    12      -0.280  -7.842  14.004          0.025
+ATOM     23  CB  ALA    12       0.157  -7.172  13.906          0.061
+ATOM     24  CA  ALA    13      -3.912  -6.694  14.037          0.014
+ATOM     25  CB  ALA    13      -4.030  -6.362  14.656          0.011
+ATOM     26  CA  CYS    14      -4.927  -4.198  11.301          0.013
+ATOM     27  CB  CYS    14      -4.519  -4.665  10.165          0.070
+ATOM     28  CA  ALA    15      -8.309  -2.937  10.050          0.004
+ATOM     29  CB  ALA    15      -9.058  -2.727  10.006          0.004
+ATOM     30  CA  ALA    16      -8.086  -2.055   6.359          0.028
+ATOM     31  CB  ALA    16      -8.087  -2.525   5.688          0.011
+ATOM     32  CA  ALA    17     -10.089  -0.555   3.380          0.003
+ATOM     33  CB  ALA    17     -10.685  -0.190   3.557          0.141
+ATOM     34  CA  GLY    18      -7.888  -0.463   0.230          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  199.82                                       ENERGY    -2.05069E+01
+ATOM      1  CA  GLY     1       1.004  -0.632  -2.662          0.028
+ATOM      2  CA  ALA     2      -0.340  -0.433   0.867          0.083
+ATOM      3  CB  ALA     2      -1.036  -0.647   0.698          0.008
+ATOM      4  CA  ALA     3       1.720  -3.047   2.517          0.001
+ATOM      5  CB  ALA     3       2.426  -3.266   2.592          0.012
+ATOM      6  CA  ALA     4       0.612  -1.611   5.914          0.031
+ATOM      7  CB  ALA     4       0.772  -0.999   6.337          0.033
+ATOM      8  CA  CYS     5      -2.739  -3.444   5.608          0.009
+ATOM      9  CB  CYS     5      -3.323  -3.284   4.497          0.027
+ATOM     10  CA  ALA     6      -0.912  -6.668   4.536          0.004
+ATOM     11  CB  ALA     6      -0.845  -6.467   3.794          0.031
+ATOM     12  CA  ALA     7       1.866  -6.048   7.126          0.020
+ATOM     13  CB  ALA     7       1.951  -5.279   7.167          0.011
+ATOM     14  CA  ALA     8      -0.591  -6.020   9.975          0.057
+ATOM     15  CB  ALA     8      -0.598  -5.293  10.239          0.053
+ATOM     16  CA  ALA     9      -2.311  -9.077   8.555          0.106
+ATOM     17  CB  ALA     9      -2.052  -9.323   7.898          0.045
+ATOM     18  CA  ALA    10       0.909 -11.089   8.879          0.006
+ATOM     19  CB  ALA    10       1.515 -11.115   8.425          0.026
+ATOM     20  CA  ALA    11       0.734 -11.349  12.688          0.022
+ATOM     21  CB  ALA    11       1.426 -11.564  12.811          0.111
+ATOM     22  CA  ALA    12      -0.478  -7.992  13.918          0.027
+ATOM     23  CB  ALA    12      -0.066  -7.730  13.424          0.033
+ATOM     24  CA  ALA    13      -3.937  -6.607  13.731          0.014
+ATOM     25  CB  ALA    13      -4.311  -6.396  14.270          0.101
+ATOM     26  CA  CYS    14      -4.927  -4.078  11.000          0.011
+ATOM     27  CB  CYS    14      -4.531  -4.363   9.869          0.028
+ATOM     28  CA  ALA    15      -8.356  -2.958   9.959          0.028
+ATOM     29  CB  ALA    15      -8.526  -2.740  10.672          0.033
+ATOM     30  CA  ALA    16      -7.840  -2.051   6.298          0.001
+ATOM     31  CB  ALA    16      -7.219  -2.115   6.560          0.048
+ATOM     32  CA  ALA    17     -10.576  -1.267   3.776          0.026
+ATOM     33  CB  ALA    17     -11.162  -0.778   3.594          0.043
+ATOM     34  CA  GLY    18      -8.641   0.306   0.836          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  204.82                                       ENERGY    -2.01496E+01
+ATOM      1  CA  GLY     1       1.902  -1.157  -2.331          0.019
+ATOM      2  CA  ALA     2      -0.583  -0.643   0.496          0.006
+ATOM      3  CB  ALA     2      -1.121  -1.208   0.448          0.047
+ATOM      4  CA  ALA     3       1.528  -3.185   2.398          0.002
+ATOM      5  CB  ALA     3       2.265  -3.315   2.225          0.031
+ATOM      6  CA  ALA     4       1.006  -1.462   5.744          0.023
+ATOM      7  CB  ALA     4       0.867  -0.675   5.673          0.035
+ATOM      8  CA  CYS     5      -2.289  -3.275   5.882          0.039
+ATOM      9  CB  CYS     5      -2.875  -3.272   4.701          0.003
+ATOM     10  CA  ALA     6      -0.956  -6.707   4.724          0.003
+ATOM     11  CB  ALA     6      -0.653  -6.985   4.092          0.001
+ATOM     12  CA  ALA     7       2.122  -6.037   6.831          0.021
+ATOM     13  CB  ALA     7       2.633  -5.501   6.734          0.127
+ATOM     14  CA  ALA     8       0.058  -5.544   9.930          0.103
+ATOM     15  CB  ALA     8      -0.216  -5.029  10.424          0.021
+ATOM     16  CA  ALA     9      -1.930  -8.690   8.838          0.032
+ATOM     17  CB  ALA     9      -2.259  -8.826   8.178          0.260
+ATOM     18  CA  ALA    10       1.271 -10.515   8.549          0.028
+ATOM     19  CB  ALA    10       1.543  -9.862   8.712          0.115
+ATOM     20  CA  ALA    11       0.207 -11.384  12.091          0.018
+ATOM     21  CB  ALA    11       0.178 -12.114  12.507          0.084
+ATOM     22  CA  ALA    12      -0.519  -8.193  13.974          0.043
+ATOM     23  CB  ALA    12      -0.269  -7.469  13.919          0.037
+ATOM     24  CA  ALA    13      -4.076  -6.882  13.671          0.039
+ATOM     25  CB  ALA    13      -4.599  -6.920  14.149          0.005
+ATOM     26  CA  CYS    14      -5.378  -4.495  10.929          0.058
+ATOM     27  CB  CYS    14      -4.991  -4.865   9.758          0.013
+ATOM     28  CA  ALA    15      -8.794  -2.982  10.086          0.003
+ATOM     29  CB  ALA    15      -9.220  -2.357  10.155          0.006
+ATOM     30  CA  ALA    16      -7.504  -1.642   6.774          0.007
+ATOM     31  CB  ALA    16      -7.078  -1.538   6.106          0.111
+ATOM     32  CA  ALA    17     -10.277  -1.477   4.184          0.053
+ATOM     33  CB  ALA    17     -10.774  -1.672   4.650          0.053
+ATOM     34  CA  GLY    18     -10.021   0.696   1.052          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  209.82                                       ENERGY    -1.97170E+01
+ATOM      1  CA  GLY     1       1.471  -0.429  -3.229          0.001
+ATOM      2  CA  ALA     2      -0.307  -1.265   0.070          0.037
+ATOM      3  CB  ALA     2      -1.033  -1.194   0.109          0.028
+ATOM      4  CA  ALA     3       1.894  -3.693   2.144          0.063
+ATOM      5  CB  ALA     3       2.554  -4.052   2.163          0.025
+ATOM      6  CA  ALA     4       1.337  -1.522   5.247          0.007
+ATOM      7  CB  ALA     4       1.190  -0.771   5.271          0.091
+ATOM      8  CA  CYS     5      -2.050  -3.121   5.808          0.077
+ATOM      9  CB  CYS     5      -2.871  -3.187   4.843          0.017
+ATOM     10  CA  ALA     6      -0.430  -6.440   4.761          0.044
+ATOM     11  CB  ALA     6      -0.200  -6.599   4.136          0.158
+ATOM     12  CA  ALA     7       2.516  -5.763   7.031          0.014
+ATOM     13  CB  ALA     7       3.111  -5.269   6.869          0.026
+ATOM     14  CA  ALA     8       0.098  -4.930   9.944          0.017
+ATOM     15  CB  ALA     8      -0.182  -4.574  10.562          0.051
+ATOM     16  CA  ALA     9      -1.827  -7.905   8.687          0.003
+ATOM     17  CB  ALA     9      -2.349  -8.177   8.289          0.017
+ATOM     18  CA  ALA    10       1.130 -10.230   9.308          0.032
+ATOM     19  CB  ALA    10       1.898 -10.301   9.048          0.124
+ATOM     20  CA  ALA    11      -0.498 -11.795  12.339          0.022
+ATOM     21  CB  ALA    11      -0.273 -12.319  12.849          0.003
+ATOM     22  CA  ALA    12      -0.990  -8.255  13.508          0.028
+ATOM     23  CB  ALA    12      -0.445  -7.802  13.549          0.014
+ATOM     24  CA  ALA    13      -4.665  -7.224  13.300          0.010
+ATOM     25  CB  ALA    13      -4.579  -7.220  13.998          0.078
+ATOM     26  CA  CYS    14      -5.848  -5.100  10.422          0.011
+ATOM     27  CB  CYS    14      -4.883  -4.640   9.873          0.019
+ATOM     28  CA  ALA    15      -9.013  -3.224   9.748          0.027
+ATOM     29  CB  ALA    15      -9.460  -3.020  10.218          0.099
+ATOM     30  CA  ALA    16      -7.080  -1.283   7.098          0.042
+ATOM     31  CB  ALA    16      -6.403  -1.611   7.081          0.053
+ATOM     32  CA  ALA    17     -10.152  -1.404   4.812          0.039
+ATOM     33  CB  ALA    17     -10.869  -1.699   4.939          0.013
+ATOM     34  CA  GLY    18     -11.365   0.402   1.704          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  214.82                                       ENERGY    -2.36029E+01
+ATOM      1  CA  GLY     1       0.493  -0.588  -4.026          0.042
+ATOM      2  CA  ALA     2      -0.072  -1.108  -0.355          0.015
+ATOM      3  CB  ALA     2      -0.575  -1.284   0.156          0.083
+ATOM      4  CA  ALA     3       2.275  -3.424   1.656          0.069
+ATOM      5  CB  ALA     3       2.945  -3.684   1.380          0.047
+ATOM      6  CA  ALA     4       1.616  -1.353   4.768          0.045
+ATOM      7  CB  ALA     4       1.899  -0.698   4.665          0.016
+ATOM      8  CA  CYS     5      -1.654  -3.235   5.403          0.008
+ATOM      9  CB  CYS     5      -2.456  -2.720   4.738          0.034
+ATOM     10  CA  ALA     6       0.275  -6.589   5.123          0.045
+ATOM     11  CB  ALA     6       0.352  -6.934   4.508          0.063
+ATOM     12  CA  ALA     7       2.892  -5.589   7.674          0.026
+ATOM     13  CB  ALA     7       3.040  -5.032   7.233          0.144
+ATOM     14  CA  ALA     8       0.200  -5.227  10.272          0.021
+ATOM     15  CB  ALA     8      -0.273  -4.758  10.068          0.016
+ATOM     16  CA  ALA     9      -1.834  -8.078   8.673          0.034
+ATOM     17  CB  ALA     9      -1.815  -8.191   7.872          0.121
+ATOM     18  CA  ALA    10       0.935 -10.448   9.475          0.047
+ATOM     19  CB  ALA    10       1.522 -10.316   9.766          0.042
+ATOM     20  CA  ALA    11      -0.830 -11.924  12.523          0.028
+ATOM     21  CB  ALA    11      -0.377 -12.454  12.856          0.025
+ATOM     22  CA  ALA    12      -1.282  -8.457  13.958          0.054
+ATOM     23  CB  ALA    12      -1.219  -8.029  13.419          0.045
+ATOM     24  CA  ALA    13      -4.869  -7.463  13.134          0.012
+ATOM     25  CB  ALA    13      -5.407  -7.510  13.707          0.015
+ATOM     26  CA  CYS    14      -5.334  -4.284  11.011          0.045
+ATOM     27  CB  CYS    14      -4.904  -4.589   9.802          0.038
+ATOM     28  CA  ALA    15      -8.759  -4.007   9.446          0.018
+ATOM     29  CB  ALA    15      -9.312  -3.922   9.927          0.002
+ATOM     30  CA  ALA    16      -7.997  -0.743   7.564          0.067
+ATOM     31  CB  ALA    16      -7.405  -0.327   7.312          0.091
+ATOM     32  CA  ALA    17     -10.438  -1.662   4.811          0.033
+ATOM     33  CB  ALA    17     -10.729  -2.058   5.428          0.019
+ATOM     34  CA  GLY    18     -12.015   0.692   2.315          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  219.82                                       ENERGY    -2.19319E+01
+ATOM      1  CA  GLY     1      -0.942  -1.520  -3.927          0.031
+ATOM      2  CA  ALA     2       0.410  -0.703  -0.534          0.027
+ATOM      3  CB  ALA     2      -0.190  -0.654  -0.136          0.041
+ATOM      4  CA  ALA     3       2.490  -3.332   1.328          0.038
+ATOM      5  CB  ALA     3       3.013  -3.486   0.917          0.009
+ATOM      6  CA  ALA     4       2.346  -1.234   4.452          0.023
+ATOM      7  CB  ALA     4       2.117  -0.612   4.650          0.082
+ATOM      8  CA  CYS     5      -1.005  -2.910   5.403          0.029
+ATOM      9  CB  CYS     5      -1.603  -2.740   4.362          0.036
+ATOM     10  CA  ALA     6       0.411  -6.372   4.744          0.084
+ATOM     11  CB  ALA     6       0.620  -6.511   4.081          0.190
+ATOM     12  CA  ALA     7       2.865  -5.957   7.633          0.028
+ATOM     13  CB  ALA     7       3.196  -5.647   8.270          0.012
+ATOM     14  CA  ALA     8      -0.053  -5.666  10.062          0.021
+ATOM     15  CB  ALA     8      -0.206  -5.045  10.455          0.136
+ATOM     16  CA  ALA     9      -1.621  -8.747   8.466          0.020
+ATOM     17  CB  ALA     9      -1.934  -9.276   8.048          0.024
+ATOM     18  CA  ALA    10       1.459 -10.262  10.084          0.015
+ATOM     19  CB  ALA    10       1.961  -9.774   9.925          0.043
+ATOM     20  CA  ALA    11      -0.651 -11.975  12.635          0.010
+ATOM     21  CB  ALA    11      -1.189 -12.211  12.919          0.033
+ATOM     22  CA  ALA    12      -1.812  -8.720  14.144          0.005
+ATOM     23  CB  ALA    12      -1.215  -8.245  14.277          0.026
+ATOM     24  CA  ALA    13      -5.008  -7.118  12.852          0.020
+ATOM     25  CB  ALA    13      -5.611  -7.384  13.110          0.037
+ATOM     26  CA  CYS    14      -5.422  -3.908  10.826          0.022
+ATOM     27  CB  CYS    14      -4.602  -4.165   9.883          0.042
+ATOM     28  CA  ALA    15      -8.895  -4.164   9.379          0.004
+ATOM     29  CB  ALA    15      -9.666  -4.422   9.400          0.027
+ATOM     30  CA  ALA    16      -8.900  -0.653   8.072          0.004
+ATOM     31  CB  ALA    16      -8.329  -0.183   7.856          0.115
+ATOM     32  CA  ALA    17     -10.658  -1.733   4.912          0.029
+ATOM     33  CB  ALA    17     -11.216  -2.128   5.009          0.049
+ATOM     34  CA  GLY    18     -12.484   1.091   3.145          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  224.82                                       ENERGY    -1.71187E+01
+ATOM      1  CA  GLY     1      -1.820  -2.056  -3.074          0.036
+ATOM      2  CA  ALA     2       0.622  -0.619  -0.559          0.014
+ATOM      3  CB  ALA     2       0.215  -0.035  -0.287          0.014
+ATOM      4  CA  ALA     3       2.306  -3.522   1.153          0.047
+ATOM      5  CB  ALA     3       2.897  -3.117   1.098          0.009
+ATOM      6  CA  ALA     4       2.723  -1.502   4.284          0.047
+ATOM      7  CB  ALA     4       3.026  -0.848   4.361          0.027
+ATOM      8  CA  CYS     5      -0.583  -2.805   5.622          0.001
+ATOM      9  CB  CYS     5      -0.861  -2.744   4.405          0.050
+ATOM     10  CA  ALA     6       0.678  -6.325   4.705          0.018
+ATOM     11  CB  ALA     6       1.117  -6.657   4.039          0.033
+ATOM     12  CA  ALA     7       3.030  -5.893   7.626          0.037
+ATOM     13  CB  ALA     7       3.733  -5.666   7.470          0.040
+ATOM     14  CA  ALA     8      -0.075  -5.540   9.780          0.014
+ATOM     15  CB  ALA     8      -0.433  -4.946  10.112          0.045
+ATOM     16  CA  ALA     9      -1.526  -8.847   8.612          0.021
+ATOM     17  CB  ALA     9      -1.384  -8.666   7.870          0.060
+ATOM     18  CA  ALA    10       1.303 -10.589  10.444          0.040
+ATOM     19  CB  ALA    10       1.605  -9.974  10.480          0.099
+ATOM     20  CA  ALA    11      -0.943 -11.969  13.142          0.036
+ATOM     21  CB  ALA    11      -0.592 -12.561  13.295          0.026
+ATOM     22  CA  ALA    12      -1.938  -8.584  14.313          0.005
+ATOM     23  CB  ALA    12      -1.440  -8.056  14.523          0.028
+ATOM     24  CA  ALA    13      -4.883  -7.189  12.323          0.004
+ATOM     25  CB  ALA    13      -5.409  -7.136  12.918          0.008
+ATOM     26  CA  CYS    14      -5.471  -4.070  10.196          0.004
+ATOM     27  CB  CYS    14      -4.708  -4.417   9.352          0.107
+ATOM     28  CA  ALA    15      -9.173  -4.391   9.235          0.016
+ATOM     29  CB  ALA    15      -9.595  -4.574   9.778          0.018
+ATOM     30  CA  ALA    16      -9.709  -0.670   8.236          0.016
+ATOM     31  CB  ALA    16      -9.164  -0.367   8.479          0.040
+ATOM     32  CA  ALA    17     -11.216  -1.334   4.809          0.026
+ATOM     33  CB  ALA    17     -11.327  -2.027   4.607          0.006
+ATOM     34  CA  GLY    18     -13.182   1.781   3.781          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  229.80                                       ENERGY    -2.04097E+01
+ATOM      1  CA  GLY     1      -2.567  -1.978  -2.019          0.016
+ATOM      2  CA  ALA     2       0.500  -0.755  -0.164          0.005
+ATOM      3  CB  ALA     2       0.420  -0.336   0.439          0.052
+ATOM      4  CA  ALA     3       2.976  -3.349   0.900          0.039
+ATOM      5  CB  ALA     3       3.642  -3.569   0.474          0.075
+ATOM      6  CA  ALA     4       3.321  -1.738   4.397          0.029
+ATOM      7  CB  ALA     4       3.252  -0.981   4.442          0.052
+ATOM      8  CA  CYS     5      -0.236  -2.722   5.080          0.016
+ATOM      9  CB  CYS     5      -0.832  -2.955   3.946          0.012
+ATOM     10  CA  ALA     6       0.441  -6.442   5.057          0.010
+ATOM     11  CB  ALA     6       0.383  -6.726   4.267          0.029
+ATOM     12  CA  ALA     7       3.253  -5.911   7.555          0.018
+ATOM     13  CB  ALA     7       3.564  -5.204   7.520          0.045
+ATOM     14  CA  ALA     8       0.728  -5.481  10.358          0.050
+ATOM     15  CB  ALA     8       0.200  -5.015  10.063          0.076
+ATOM     16  CA  ALA     9      -1.435  -8.238   8.931          0.022
+ATOM     17  CB  ALA     9      -1.583  -8.427   8.198          0.047
+ATOM     18  CA  ALA    10       1.251 -10.631  10.204          0.014
+ATOM     19  CB  ALA    10       1.923 -10.462  10.652          0.037
+ATOM     20  CA  ALA    11      -0.965 -11.826  13.107          0.071
+ATOM     21  CB  ALA    11      -0.781 -12.145  13.802          0.184
+ATOM     22  CA  ALA    12      -1.952  -8.365  14.236          0.015
+ATOM     23  CB  ALA    12      -1.504  -7.787  13.966          0.036
+ATOM     24  CA  ALA    13      -4.899  -7.186  12.239          0.030
+ATOM     25  CB  ALA    13      -5.166  -7.149  12.936          0.089
+ATOM     26  CA  CYS    14      -5.538  -4.722   9.457          0.020
+ATOM     27  CB  CYS    14      -4.551  -4.804   8.656          0.060
+ATOM     28  CA  ALA    15      -9.323  -4.615   9.039          0.015
+ATOM     29  CB  ALA    15      -9.917  -4.716   9.470          0.050
+ATOM     30  CA  ALA    16     -10.205  -0.906   8.515          0.028
+ATOM     31  CB  ALA    16      -9.879  -0.346   8.710          0.037
+ATOM     32  CA  ALA    17     -11.493  -0.741   4.908          0.038
+ATOM     33  CB  ALA    17     -11.707  -1.304   4.611          0.022
+ATOM     34  CA  GLY    18     -13.976   2.063   4.133          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  234.80                                       ENERGY    -1.62850E+01
+ATOM      1  CA  GLY     1      -3.328  -1.257  -0.971          0.017
+ATOM      2  CA  ALA     2       0.408  -1.231   0.199          0.025
+ATOM      3  CB  ALA     2       0.870  -0.696   0.501          0.008
+ATOM      4  CA  ALA     3       3.417  -3.486   0.955          0.032
+ATOM      5  CB  ALA     3       4.133  -3.671   0.876          0.038
+ATOM      6  CA  ALA     4       3.356  -2.164   4.529          0.028
+ATOM      7  CB  ALA     4       3.889  -1.719   4.924          0.081
+ATOM      8  CA  CYS     5      -0.340  -3.140   4.910          0.030
+ATOM      9  CB  CYS     5      -1.186  -2.918   4.022          0.017
+ATOM     10  CA  ALA     6       0.682  -6.797   5.047          0.042
+ATOM     11  CB  ALA     6       0.629  -7.385   4.514          0.022
+ATOM     12  CA  ALA     7       3.325  -5.753   7.530          0.005
+ATOM     13  CB  ALA     7       3.809  -5.180   7.203          0.007
+ATOM     14  CA  ALA     8       0.525  -5.264  10.056          0.012
+ATOM     15  CB  ALA     8       0.310  -4.700  10.536          0.016
+ATOM     16  CA  ALA     9      -1.216  -8.334   8.652          0.029
+ATOM     17  CB  ALA     9      -1.321  -8.344   7.879          0.034
+ATOM     18  CA  ALA    10       1.503 -10.425  10.355          0.004
+ATOM     19  CB  ALA    10       2.200 -10.669  10.597          0.041
+ATOM     20  CA  ALA    11      -0.832 -11.316  13.164          0.003
+ATOM     21  CB  ALA    11      -0.732 -12.031  13.474          0.213
+ATOM     22  CA  ALA    12      -1.517  -7.605  13.996          0.027
+ATOM     23  CB  ALA    12      -1.048  -7.672  13.490          0.081
+ATOM     24  CA  ALA    13      -4.949  -7.231  12.483          0.026
+ATOM     25  CB  ALA    13      -5.533  -7.154  12.817          0.073
+ATOM     26  CA  CYS    14      -5.557  -4.796   9.639          0.025
+ATOM     27  CB  CYS    14      -4.787  -5.060   8.606          0.040
+ATOM     28  CA  ALA    15      -9.128  -4.638   8.381          0.011
+ATOM     29  CB  ALA    15      -9.362  -5.316   8.579          0.063
+ATOM     30  CA  ALA    16     -10.650  -1.148   8.365          0.025
+ATOM     31  CB  ALA    16     -10.264  -0.538   8.569          0.018
+ATOM     32  CA  ALA    17     -12.189  -0.039   5.127          0.050
+ATOM     33  CB  ALA    17     -12.226  -0.668   4.735          0.086
+ATOM     34  CA  GLY    18     -14.709   2.632   4.239          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  239.80                                       ENERGY    -2.08305E+01
+ATOM      1  CA  GLY     1      -2.795  -0.932  -0.762          0.013
+ATOM      2  CA  ALA     2       0.908  -1.111  -0.008          0.014
+ATOM      3  CB  ALA     2       0.938  -0.807   0.554          0.077
+ATOM      4  CA  ALA     3       2.953  -3.835   1.595          0.023
+ATOM      5  CB  ALA     3       3.158  -4.191   0.936          0.058
+ATOM      6  CA  ALA     4       2.840  -2.084   4.972          0.088
+ATOM      7  CB  ALA     4       2.735  -1.327   4.834          0.041
+ATOM      8  CA  CYS     5      -0.479  -3.817   5.514          0.016
+ATOM      9  CB  CYS     5      -1.108  -3.071   4.807          0.005
+ATOM     10  CA  ALA     6       1.204  -7.089   4.599          0.030
+ATOM     11  CB  ALA     6       1.671  -7.237   4.076          0.123
+ATOM     12  CA  ALA     7       3.494  -6.653   7.646          0.015
+ATOM     13  CB  ALA     7       4.157  -6.368   7.806          0.102
+ATOM     14  CA  ALA     8       0.599  -5.259   9.636          0.006
+ATOM     15  CB  ALA     8       0.427  -4.532   9.861          0.015
+ATOM     16  CA  ALA     9      -1.233  -8.455   8.628          0.014
+ATOM     17  CB  ALA     9      -1.335  -8.999   8.187          0.044
+ATOM     18  CA  ALA    10       1.639 -10.484  10.027          0.050
+ATOM     19  CB  ALA    10       1.879  -9.848   9.824          0.198
+ATOM     20  CA  ALA    11      -0.231 -11.252  13.217          0.077
+ATOM     21  CB  ALA    11      -0.031 -11.445  13.940          0.074
+ATOM     22  CA  ALA    12      -1.370  -7.650  13.848          0.023
+ATOM     23  CB  ALA    12      -0.931  -7.078  13.807          0.064
+ATOM     24  CA  ALA    13      -4.791  -7.109  12.374          0.010
+ATOM     25  CB  ALA    13      -5.222  -6.890  12.798          0.013
+ATOM     26  CA  CYS    14      -5.697  -4.709   9.619          0.007
+ATOM     27  CB  CYS    14      -4.688  -4.337   8.884          0.019
+ATOM     28  CA  ALA    15      -8.840  -4.756   7.548          0.020
+ATOM     29  CB  ALA    15      -9.531  -4.882   7.387          0.086
+ATOM     30  CA  ALA    16     -10.718  -1.482   7.885          0.013
+ATOM     31  CB  ALA    16     -10.384  -1.049   8.331          0.020
+ATOM     32  CA  ALA    17     -13.055   0.145   5.261          0.031
+ATOM     33  CB  ALA    17     -13.422  -0.284   4.826          0.092
+ATOM     34  CA  GLY    18     -15.026   3.430   4.717          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  244.80                                       ENERGY    -1.52733E+01
+ATOM      1  CA  GLY     1      -2.778  -1.211  -0.696          0.001
+ATOM      2  CA  ALA     2       0.990  -0.792  -0.042          0.024
+ATOM      3  CB  ALA     2       1.099  -0.350   0.608          0.114
+ATOM      4  CA  ALA     3       2.919  -3.600   1.620          0.005
+ATOM      5  CB  ALA     3       3.542  -3.749   1.838          0.061
+ATOM      6  CA  ALA     4       2.472  -2.178   5.148          0.016
+ATOM      7  CB  ALA     4       2.485  -1.475   5.118          0.041
+ATOM      8  CA  CYS     5      -0.686  -4.279   5.496          0.016
+ATOM      9  CB  CYS     5      -1.077  -3.491   4.737          0.041
+ATOM     10  CA  ALA     6       1.082  -7.574   4.988          0.003
+ATOM     11  CB  ALA     6       1.417  -7.458   4.310          0.150
+ATOM     12  CA  ALA     7       3.547  -6.720   7.769          0.027
+ATOM     13  CB  ALA     7       4.232  -6.655   7.577          0.074
+ATOM     14  CA  ALA     8       0.554  -5.512   9.690          0.063
+ATOM     15  CB  ALA     8       0.385  -4.856   9.905          0.037
+ATOM     16  CA  ALA     9      -1.187  -8.752   8.718          0.034
+ATOM     17  CB  ALA     9      -1.738  -8.291   8.530          0.090
+ATOM     18  CA  ALA    10       1.681 -10.797  10.122          0.005
+ATOM     19  CB  ALA    10       2.375 -10.619  10.330          0.037
+ATOM     20  CA  ALA    11       0.069 -11.047  13.579          0.004
+ATOM     21  CB  ALA    11       0.564 -11.017  14.047          0.053
+ATOM     22  CA  ALA    12      -1.064  -7.448  13.320          0.006
+ATOM     23  CB  ALA    12      -0.406  -7.096  13.171          0.107
+ATOM     24  CA  ALA    13      -4.545  -7.010  12.020          0.015
+ATOM     25  CB  ALA    13      -4.953  -6.628  12.467          0.026
+ATOM     26  CA  CYS    14      -5.793  -4.697   9.370          0.011
+ATOM     27  CB  CYS    14      -4.696  -4.064   8.900          0.003
+ATOM     28  CA  ALA    15      -8.814  -4.318   7.119          0.009
+ATOM     29  CB  ALA    15      -8.951  -4.991   6.894          0.012
+ATOM     30  CA  ALA    16     -10.907  -1.178   7.080          0.010
+ATOM     31  CB  ALA    16     -10.431  -0.655   7.465          0.114
+ATOM     32  CA  ALA    17     -13.904   0.095   5.191          0.042
+ATOM     33  CB  ALA    17     -14.470  -0.380   5.065          0.012
+ATOM     34  CA  GLY    18     -14.919   3.638   6.032          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  249.78                                       ENERGY    -1.71328E+01
+ATOM      1  CA  GLY     1      -2.247  -1.348  -1.476          0.031
+ATOM      2  CA  ALA     2       0.727  -0.971   0.743          0.008
+ATOM      3  CB  ALA     2       0.496  -0.376   1.111          0.224
+ATOM      4  CA  ALA     3       3.398  -3.330   1.948          0.000
+ATOM      5  CB  ALA     3       4.031  -3.489   1.476          0.016
+ATOM      6  CA  ALA     4       2.684  -2.502   5.652          0.016
+ATOM      7  CB  ALA     4       2.298  -2.030   6.106          0.084
+ATOM      8  CA  CYS     5      -0.674  -4.196   5.192          0.006
+ATOM      9  CB  CYS     5      -1.248  -3.701   4.265          0.021
+ATOM     10  CA  ALA     6       0.943  -7.573   4.722          0.013
+ATOM     11  CB  ALA     6       0.982  -8.083   4.251          0.052
+ATOM     12  CA  ALA     7       3.614  -6.570   7.148          0.008
+ATOM     13  CB  ALA     7       3.743  -5.842   7.332          0.038
+ATOM     14  CA  ALA     8       0.899  -5.697   9.682          0.007
+ATOM     15  CB  ALA     8       0.387  -5.465  10.171          0.013
+ATOM     16  CA  ALA     9      -1.155  -8.789   8.793          0.023
+ATOM     17  CB  ALA     9      -1.483  -8.889   8.109          0.103
+ATOM     18  CA  ALA    10       1.709 -10.879  10.260          0.004
+ATOM     19  CB  ALA    10       2.059 -10.646   9.635          0.082
+ATOM     20  CA  ALA    11       0.350 -10.716  13.834          0.000
+ATOM     21  CB  ALA    11       0.611 -11.080  14.445          0.023
+ATOM     22  CA  ALA    12      -1.418  -7.336  14.030          0.002
+ATOM     23  CB  ALA    12      -0.818  -6.940  14.104          0.183
+ATOM     24  CA  ALA    13      -4.337  -6.840  11.727          0.032
+ATOM     25  CB  ALA    13      -4.719  -6.942  12.317          0.007
+ATOM     26  CA  CYS    14      -5.422  -4.348   9.153          0.030
+ATOM     27  CB  CYS    14      -4.459  -3.908   8.435          0.002
+ATOM     28  CA  ALA    15      -8.717  -4.191   7.181          0.024
+ATOM     29  CB  ALA    15      -9.366  -4.315   7.025          0.053
+ATOM     30  CA  ALA    16     -10.764  -0.961   6.449          0.004
+ATOM     31  CB  ALA    16     -10.523  -0.471   6.066          0.059
+ATOM     32  CA  ALA    17     -14.305   0.044   5.517          0.018
+ATOM     33  CB  ALA    17     -14.752  -0.540   5.585          0.057
+ATOM     34  CA  GLY    18     -15.177   3.414   7.029          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  254.78                                       ENERGY    -2.13128E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -1.302  -1.918  -2.040          0.011
+ATOM      2  CA  ALA     2       0.594  -0.949   1.127          0.002
+ATOM      3  CB  ALA     2       0.481  -0.515   1.737          0.203
+ATOM      4  CA  ALA     3       3.377  -3.370   2.050          0.016
+ATOM      5  CB  ALA     3       4.013  -2.973   1.818          0.068
+ATOM      6  CA  ALA     4       2.394  -2.473   5.624          0.000
+ATOM      7  CB  ALA     4       2.718  -1.864   6.021          0.061
+ATOM      8  CA  CYS     5      -0.953  -4.312   5.159          0.013
+ATOM      9  CB  CYS     5      -1.688  -3.939   4.186          0.032
+ATOM     10  CA  ALA     6       0.823  -7.633   4.555          0.020
+ATOM     11  CB  ALA     6       0.915  -7.648   3.858          0.005
+ATOM     12  CA  ALA     7       3.275  -6.673   7.336          0.037
+ATOM     13  CB  ALA     7       3.770  -6.179   7.414          0.079
+ATOM     14  CA  ALA     8       0.480  -5.951   9.795          0.018
+ATOM     15  CB  ALA     8      -0.134  -5.495   9.945          0.070
+ATOM     16  CA  ALA     9      -0.962  -9.263   8.737          0.014
+ATOM     17  CB  ALA     9      -0.611  -9.275   8.087          0.010
+ATOM     18  CA  ALA    10       2.203 -10.894  10.128          0.008
+ATOM     19  CB  ALA    10       2.809 -10.524  10.197          0.071
+ATOM     20  CA  ALA    11      -0.013 -10.415  13.183          0.011
+ATOM     21  CB  ALA    11      -0.030 -10.732  13.795          0.060
+ATOM     22  CA  ALA    12      -1.616  -7.131  13.934          0.056
+ATOM     23  CB  ALA    12      -1.353  -6.464  13.734          0.117
+ATOM     24  CA  ALA    13      -4.710  -6.634  11.839          0.013
+ATOM     25  CB  ALA    13      -5.305  -6.766  12.152          0.064
+ATOM     26  CA  CYS    14      -5.003  -4.071   9.039          0.063
+ATOM     27  CB  CYS    14      -4.173  -3.965   8.180          0.007
+ATOM     28  CA  ALA    15      -8.536  -3.683   7.679          0.044
+ATOM     29  CB  ALA    15      -9.186  -3.739   7.951          0.165
+ATOM     30  CA  ALA    16     -10.285  -0.769   6.011          0.048
+ATOM     31  CB  ALA    16      -9.858  -0.654   5.364          0.021
+ATOM     32  CA  ALA    17     -14.088  -0.392   6.249          0.006
+ATOM     33  CB  ALA    17     -14.731  -0.769   6.451          0.066
+ATOM     34  CA  GLY    18     -15.633   2.987   7.020          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  259.78                                       ENERGY    -1.81992E+01
+ATOM      1  CA  GLY     1      -1.131  -2.328  -2.394          0.067
+ATOM      2  CA  ALA     2       0.715  -0.798   0.606          0.035
+ATOM      3  CB  ALA     2      -0.004  -0.497   0.904          0.007
+ATOM      4  CA  ALA     3       3.439  -2.987   2.110          0.019
+ATOM      5  CB  ALA     3       4.099  -3.276   2.461          0.083
+ATOM      6  CA  ALA     4       2.260  -2.271   5.685          0.016
+ATOM      7  CB  ALA     4       2.010  -1.797   6.277          0.002
+ATOM      8  CA  CYS     5      -0.775  -4.397   4.770          0.001
+ATOM      9  CB  CYS     5      -1.461  -3.815   3.903          0.051
+ATOM     10  CA  ALA     6       1.542  -7.425   4.341          0.019
+ATOM     11  CB  ALA     6       1.953  -7.670   3.835          0.143
+ATOM     12  CA  ALA     7       3.323  -6.313   7.507          0.013
+ATOM     13  CB  ALA     7       3.988  -6.042   7.695          0.035
+ATOM     14  CA  ALA     8      -0.020  -6.144   9.180          0.007
+ATOM     15  CB  ALA     8      -0.432  -5.530   9.307          0.054
+ATOM     16  CA  ALA     9      -0.837  -9.795   8.419          0.014
+ATOM     17  CB  ALA     9      -1.257 -10.168   7.862          0.016
+ATOM     18  CA  ALA    10       2.166 -10.709  10.567          0.036
+ATOM     19  CB  ALA    10       2.766 -10.335  10.625          0.025
+ATOM     20  CA  ALA    11      -0.367 -10.755  13.342          0.032
+ATOM     21  CB  ALA    11      -0.335 -11.199  13.885          0.037
+ATOM     22  CA  ALA    12      -1.588  -7.237  13.758          0.023
+ATOM     23  CB  ALA    12      -1.310  -6.967  13.214          0.062
+ATOM     24  CA  ALA    13      -4.891  -6.387  12.025          0.003
+ATOM     25  CB  ALA    13      -5.625  -6.508  12.271          0.075
+ATOM     26  CA  CYS    14      -5.324  -3.660   9.356          0.008
+ATOM     27  CB  CYS    14      -4.459  -3.768   8.457          0.067
+ATOM     28  CA  ALA    15      -8.972  -3.013   8.340          0.021
+ATOM     29  CB  ALA    15      -9.257  -3.297   8.982          0.073
+ATOM     30  CA  ALA    16      -9.930  -0.504   5.622          0.027
+ATOM     31  CB  ALA    16      -9.877  -0.477   4.918          0.035
+ATOM     32  CA  ALA    17     -13.550  -0.780   6.927          0.034
+ATOM     33  CB  ALA    17     -13.297  -1.227   7.477          0.048
+ATOM     34  CA  GLY    18     -15.899   2.220   6.316          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  264.78                                       ENERGY    -2.27178E+01
+ATOM      1  CA  GLY     1      -1.366  -2.453  -2.568          0.008
+ATOM      2  CA  ALA     2       1.143  -1.239   0.078          0.033
+ATOM      3  CB  ALA     2       0.915  -1.058   0.736          0.016
+ATOM      4  CA  ALA     3       3.822  -2.630   2.451          0.023
+ATOM      5  CB  ALA     3       4.514  -2.409   2.120          0.069
+ATOM      6  CA  ALA     4       1.664  -1.874   5.511          0.030
+ATOM      7  CB  ALA     4       1.428  -1.240   5.280          0.084
+ATOM      8  CA  CYS     5      -0.642  -4.663   4.430          0.021
+ATOM      9  CB  CYS     5      -1.241  -4.407   3.427          0.022
+ATOM     10  CA  ALA     6       2.169  -7.166   4.060          0.001
+ATOM     11  CB  ALA     6       2.618  -6.772   3.631          0.036
+ATOM     12  CA  ALA     7       3.379  -6.505   7.620          0.016
+ATOM     13  CB  ALA     7       3.915  -5.987   7.795          0.037
+ATOM     14  CA  ALA     8      -0.140  -6.058   9.024          0.009
+ATOM     15  CB  ALA     8      -0.747  -5.656   9.163          0.099
+ATOM     16  CA  ALA     9      -0.943  -9.701   8.322          0.027
+ATOM     17  CB  ALA     9      -0.564  -9.464   7.750          0.104
+ATOM     18  CA  ALA    10       1.733 -10.862  10.779          0.023
+ATOM     19  CB  ALA    10       2.105 -10.396  10.381          0.045
+ATOM     20  CA  ALA    11      -0.607 -11.541  13.551          0.021
+ATOM     21  CB  ALA    11      -0.403 -11.708  14.174          0.085
+ATOM     22  CA  ALA    12      -1.814  -7.910  13.788          0.073
+ATOM     23  CB  ALA    12      -1.301  -7.467  13.740          0.008
+ATOM     24  CA  ALA    13      -4.876  -6.268  12.241          0.019
+ATOM     25  CB  ALA    13      -4.989  -6.297  13.044          0.018
+ATOM     26  CA  CYS    14      -5.154  -3.439   9.780          0.036
+ATOM     27  CB  CYS    14      -5.088  -3.700   8.575          0.013
+ATOM     28  CA  ALA    15      -8.691  -2.420   8.905          0.011
+ATOM     29  CB  ALA    15      -9.123  -2.275   9.505          0.170
+ATOM     30  CA  ALA    16     -10.057  -0.482   5.938          0.025
+ATOM     31  CB  ALA    16      -9.704  -0.449   5.298          0.016
+ATOM     32  CA  ALA    17     -13.590  -0.862   7.189          0.037
+ATOM     33  CB  ALA    17     -14.156  -0.807   7.579          0.084
+ATOM     34  CA  GLY    18     -16.089   1.385   5.352          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  269.78                                       ENERGY    -1.94552E+01
+ATOM      1  CA  GLY     1      -1.375  -3.638  -1.999          0.026
+ATOM      2  CA  ALA     2       1.203  -1.460  -0.219          0.026
+ATOM      3  CB  ALA     2       1.022  -0.949   0.241          0.046
+ATOM      4  CA  ALA     3       4.051  -2.501   2.196          0.002
+ATOM      5  CB  ALA     3       4.780  -2.646   2.285          0.014
+ATOM      6  CA  ALA     4       1.886  -1.779   5.302          0.016
+ATOM      7  CB  ALA     4       1.755  -0.935   5.416          0.113
+ATOM      8  CA  CYS     5      -0.465  -4.621   4.256          0.002
+ATOM      9  CB  CYS     5      -1.227  -4.502   3.299          0.008
+ATOM     10  CA  ALA     6       2.402  -7.064   4.437          0.012
+ATOM     11  CB  ALA     6       2.834  -7.491   3.927          0.097
+ATOM     12  CA  ALA     7       3.260  -5.629   7.851          0.012
+ATOM     13  CB  ALA     7       3.608  -5.061   8.148          0.030
+ATOM     14  CA  ALA     8      -0.406  -5.976   8.828          0.036
+ATOM     15  CB  ALA     8      -1.090  -6.233   8.790          0.060
+ATOM     16  CA  ALA     9      -0.645  -9.608   7.859          0.021
+ATOM     17  CB  ALA     9      -0.863 -10.195   7.456          0.118
+ATOM     18  CA  ALA    10       1.886 -10.482  10.489          0.012
+ATOM     19  CB  ALA    10       2.162 -10.256  11.139          0.073
+ATOM     20  CA  ALA    11      -0.903 -11.728  12.753          0.058
+ATOM     21  CB  ALA    11      -0.881 -12.189  13.223          0.102
+ATOM     22  CA  ALA    12      -1.563  -8.175  13.903          0.050
+ATOM     23  CB  ALA    12      -0.902  -7.928  13.568          0.019
+ATOM     24  CA  ALA    13      -4.565  -6.147  12.714          0.011
+ATOM     25  CB  ALA    13      -4.889  -6.024  13.387          0.039
+ATOM     26  CA  CYS    14      -5.100  -3.585   9.950          0.064
+ATOM     27  CB  CYS    14      -4.606  -3.858   8.796          0.022
+ATOM     28  CA  ALA    15      -8.648  -2.323   9.587          0.060
+ATOM     29  CB  ALA    15      -8.722  -1.742  10.121          0.016
+ATOM     30  CA  ALA    16     -10.653  -0.370   7.044          0.028
+ATOM     31  CB  ALA    16     -10.326  -0.402   6.392          0.063
+ATOM     32  CA  ALA    17     -14.333  -0.326   6.506          0.028
+ATOM     33  CB  ALA    17     -14.217  -0.457   7.187          0.091
+ATOM     34  CA  GLY    18     -16.735   1.171   4.031          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  274.78                                       ENERGY    -2.23657E+01
+ATOM      1  CA  GLY     1      -0.533  -4.473  -2.057          0.030
+ATOM      2  CA  ALA     2       1.452  -1.822  -0.193          0.008
+ATOM      3  CB  ALA     2       0.874  -1.329   0.040          0.073
+ATOM      4  CA  ALA     3       4.148  -3.141   2.140          0.012
+ATOM      5  CB  ALA     3       4.592  -2.697   1.746          0.119
+ATOM      6  CA  ALA     4       2.005  -2.001   5.066          0.016
+ATOM      7  CB  ALA     4       1.647  -1.421   5.450          0.054
+ATOM      8  CA  CYS     5      -0.673  -4.570   4.538          0.012
+ATOM      9  CB  CYS     5      -1.092  -4.258   3.427          0.042
+ATOM     10  CA  ALA     6       2.341  -6.966   4.721          0.041
+ATOM     11  CB  ALA     6       2.804  -6.720   4.260          0.091
+ATOM     12  CA  ALA     7       3.154  -5.507   8.079          0.032
+ATOM     13  CB  ALA     7       3.405  -4.871   7.841          0.016
+ATOM     14  CA  ALA     8      -0.232  -6.515   9.260          0.026
+ATOM     15  CB  ALA     8      -0.908  -6.306   9.393          0.001
+ATOM     16  CA  ALA     9      -0.130  -9.732   7.217          0.006
+ATOM     17  CB  ALA     9       0.518  -9.660   6.939          0.093
+ATOM     18  CA  ALA    10       2.021 -10.675  10.265          0.021
+ATOM     19  CB  ALA    10       2.685 -10.229  10.395          0.072
+ATOM     20  CA  ALA    11      -1.054 -11.630  12.317          0.011
+ATOM     21  CB  ALA    11      -1.154 -12.237  12.778          0.070
+ATOM     22  CA  ALA    12      -1.365  -8.110  13.636          0.001
+ATOM     23  CB  ALA    12      -0.861  -7.620  13.409          0.087
+ATOM     24  CA  ALA    13      -4.401  -6.072  12.730          0.028
+ATOM     25  CB  ALA    13      -4.892  -6.102  13.226          0.098
+ATOM     26  CA  CYS    14      -5.490  -3.345  10.301          0.055
+ATOM     27  CB  CYS    14      -4.825  -3.316   9.276          0.038
+ATOM     28  CA  ALA    15      -9.156  -2.299  10.117          0.021
+ATOM     29  CB  ALA    15      -9.483  -2.432  10.727          0.110
+ATOM     30  CA  ALA    16     -10.919  -0.361   7.322          0.006
+ATOM     31  CB  ALA    16     -10.505  -0.451   6.791          0.101
+ATOM     32  CA  ALA    17     -14.653   0.075   6.658          0.026
+ATOM     33  CB  ALA    17     -15.315   0.420   6.802          0.043
+ATOM     34  CA  GLY    18     -16.318   1.109   3.378          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  279.78                                       ENERGY    -1.75023E+01
+ATOM      1  CA  GLY     1      -0.178  -5.160  -2.455          0.016
+ATOM      2  CA  ALA     2       1.549  -2.510  -0.233          0.011
+ATOM      3  CB  ALA     2       1.151  -1.899   0.029          0.100
+ATOM      4  CA  ALA     3       4.016  -2.995   2.650          0.006
+ATOM      5  CB  ALA     3       4.628  -3.087   2.151          0.137
+ATOM      6  CA  ALA     4       1.693  -1.329   5.241          0.004
+ATOM      7  CB  ALA     4       1.295  -0.655   5.248          0.070
+ATOM      8  CA  CYS     5      -0.580  -4.293   4.581          0.024
+ATOM      9  CB  CYS     5      -0.866  -4.514   3.450          0.013
+ATOM     10  CA  ALA     6       2.429  -6.567   4.220          0.019
+ATOM     11  CB  ALA     6       2.951  -6.980   3.899          0.005
+ATOM     12  CA  ALA     7       3.517  -5.573   7.788          0.055
+ATOM     13  CB  ALA     7       3.812  -5.118   8.180          0.038
+ATOM     14  CA  ALA     8       0.142  -6.509   9.120          0.015
+ATOM     15  CB  ALA     8      -0.440  -6.196   9.136          0.006
+ATOM     16  CA  ALA     9       0.125  -9.917   7.415          0.038
+ATOM     17  CB  ALA     9      -0.168 -10.140   6.740          0.033
+ATOM     18  CA  ALA    10       2.524 -11.073  10.105          0.017
+ATOM     19  CB  ALA    10       2.994 -10.484  10.110          0.047
+ATOM     20  CA  ALA    11      -0.640 -11.396  12.224          0.038
+ATOM     21  CB  ALA    11      -0.761 -11.908  12.753          0.084
+ATOM     22  CA  ALA    12      -1.548  -7.846  13.171          0.014
+ATOM     23  CB  ALA    12      -0.940  -7.410  13.149          0.031
+ATOM     24  CA  ALA    13      -4.849  -6.065  12.560          0.029
+ATOM     25  CB  ALA    13      -5.195  -6.266  13.167          0.015
+ATOM     26  CA  CYS    14      -6.091  -2.947  10.802          0.006
+ATOM     27  CB  CYS    14      -5.241  -2.782   9.850          0.063
+ATOM     28  CA  ALA    15      -9.792  -2.841  10.103          0.009
+ATOM     29  CB  ALA    15     -10.427  -2.806  10.379          0.058
+ATOM     30  CA  ALA    16     -11.382  -0.634   7.486          0.001
+ATOM     31  CB  ALA    16     -10.992  -0.632   6.803          0.048
+ATOM     32  CA  ALA    17     -15.015   0.374   6.899          0.063
+ATOM     33  CB  ALA    17     -14.872   0.753   7.483          0.061
+ATOM     34  CA  GLY    18     -14.916   1.598   3.286          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  284.78                                       ENERGY    -1.36294E+01
+ATOM      1  CA  GLY     1       0.486  -5.680  -2.383          0.049
+ATOM      2  CA  ALA     2       1.505  -2.833  -0.159          0.017
+ATOM      3  CB  ALA     2       0.997  -2.720   0.360          0.010
+ATOM      4  CA  ALA     3       4.254  -2.704   2.470          0.006
+ATOM      5  CB  ALA     3       4.874  -2.307   2.887          0.067
+ATOM      6  CA  ALA     4       1.878  -1.547   5.194          0.009
+ATOM      7  CB  ALA     4       1.662  -1.016   4.773          0.047
+ATOM      8  CA  CYS     5      -0.439  -4.526   4.595          0.037
+ATOM      9  CB  CYS     5      -1.016  -4.747   3.602          0.020
+ATOM     10  CA  ALA     6       2.731  -6.643   4.154          0.023
+ATOM     11  CB  ALA     6       2.776  -6.383   3.426          0.149
+ATOM     12  CA  ALA     7       3.604  -5.859   7.806          0.003
+ATOM     13  CB  ALA     7       3.971  -5.330   7.345          0.023
+ATOM     14  CA  ALA     8      -0.057  -6.129   8.795          0.014
+ATOM     15  CB  ALA     8      -0.612  -5.752   8.936          0.080
+ATOM     16  CA  ALA     9      -0.306  -9.648   7.244          0.012
+ATOM     17  CB  ALA     9       0.306  -9.629   6.890          0.002
+ATOM     18  CA  ALA    10       2.385 -10.959   9.545          0.004
+ATOM     19  CB  ALA    10       3.076 -11.076   9.928          0.046
+ATOM     20  CA  ALA    11       0.061 -10.891  12.628          0.004
+ATOM     21  CB  ALA    11       0.387 -11.267  13.230          0.078
+ATOM     22  CA  ALA    12      -1.828  -7.704  13.285          0.004
+ATOM     23  CB  ALA    12      -1.357  -7.328  12.862          0.040
+ATOM     24  CA  ALA    13      -5.310  -6.491  12.760          0.054
+ATOM     25  CB  ALA    13      -5.626  -6.668  13.402          0.007
+ATOM     26  CA  CYS    14      -6.367  -3.402  10.773          0.020
+ATOM     27  CB  CYS    14      -5.722  -2.809   9.881          0.019
+ATOM     28  CA  ALA    15     -10.052  -2.964  10.085          0.007
+ATOM     29  CB  ALA    15     -10.559  -2.964  10.610          0.110
+ATOM     30  CA  ALA    16     -11.476  -0.740   7.375          0.023
+ATOM     31  CB  ALA    16     -11.326  -0.782   6.715          0.039
+ATOM     32  CA  ALA    17     -14.971   0.637   7.009          0.018
+ATOM     33  CB  ALA    17     -15.568   0.794   7.339          0.019
+ATOM     34  CA  GLY    18     -13.915   2.576   4.018          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  289.78                                       ENERGY    -2.22201E+01
+ATOM      1  CA  GLY     1       0.961  -6.213  -1.482          0.019
+ATOM      2  CA  ALA     2       1.822  -2.670  -0.326          0.006
+ATOM      3  CB  ALA     2       1.215  -2.434   0.128          0.060
+ATOM      4  CA  ALA     3       4.241  -2.942   2.628          0.037
+ATOM      5  CB  ALA     3       4.895  -2.656   2.508          0.102
+ATOM      6  CA  ALA     4       1.692  -1.976   5.360          0.033
+ATOM      7  CB  ALA     4       1.279  -1.329   5.277          0.059
+ATOM      8  CA  CYS     5      -0.522  -4.856   4.135          0.028
+ATOM      9  CB  CYS     5      -1.253  -4.471   3.209          0.002
+ATOM     10  CA  ALA     6       2.559  -7.088   3.970          0.010
+ATOM     11  CB  ALA     6       3.241  -7.342   4.142          0.174
+ATOM     12  CA  ALA     7       3.748  -5.737   7.414          0.032
+ATOM     13  CB  ALA     7       3.963  -5.244   7.840          0.007
+ATOM     14  CA  ALA     8       0.242  -5.943   8.764          0.004
+ATOM     15  CB  ALA     8      -0.068  -5.264   8.781          0.084
+ATOM     16  CA  ALA     9      -0.111  -9.401   7.196          0.003
+ATOM     17  CB  ALA     9      -0.500  -9.419   6.568          0.005
+ATOM     18  CA  ALA    10       2.720 -10.596   9.459          0.133
+ATOM     19  CB  ALA    10       3.166 -10.077   9.362          0.042
+ATOM     20  CA  ALA    11       0.457 -10.458  12.481          0.088
+ATOM     21  CB  ALA    11       0.538 -10.777  13.127          0.044
+ATOM     22  CA  ALA    12      -1.535  -7.351  13.558          0.026
+ATOM     23  CB  ALA    12      -1.332  -6.640  13.354          0.015
+ATOM     24  CA  ALA    13      -5.309  -6.863  12.934          0.060
+ATOM     25  CB  ALA    13      -5.859  -7.002  13.388          0.012
+ATOM     26  CA  CYS    14      -6.921  -4.206  10.755          0.013
+ATOM     27  CB  CYS    14      -6.108  -3.995   9.735          0.127
+ATOM     28  CA  ALA    15     -10.496  -3.040  10.045          0.005
+ATOM     29  CB  ALA    15     -10.807  -3.090  10.638          0.061
+ATOM     30  CA  ALA    16     -11.588  -0.262   7.689          0.006
+ATOM     31  CB  ALA    16     -11.082  -0.424   7.288          0.055
+ATOM     32  CA  ALA    17     -15.046   0.663   6.408          0.025
+ATOM     33  CB  ALA    17     -15.482   0.658   7.034          0.022
+ATOM     34  CA  GLY    18     -13.898   3.916   4.751          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  294.78                                       ENERGY    -1.67549E+01
+ATOM      1  CA  GLY     1       0.761  -6.483  -0.937          0.004
+ATOM      2  CA  ALA     2       1.841  -2.933  -0.123          0.024
+ATOM      3  CB  ALA     2       1.566  -2.263  -0.266          0.060
+ATOM      4  CA  ALA     3       4.485  -2.835   2.565          0.042
+ATOM      5  CB  ALA     3       5.272  -2.630   2.841          0.033
+ATOM      6  CA  ALA     4       1.935  -2.203   5.345          0.052
+ATOM      7  CB  ALA     4       1.616  -1.569   5.490          0.101
+ATOM      8  CA  CYS     5      -0.288  -4.925   3.946          0.011
+ATOM      9  CB  CYS     5      -0.883  -4.919   2.813          0.025
+ATOM     10  CA  ALA     6       2.617  -7.385   4.446          0.019
+ATOM     11  CB  ALA     6       2.283  -7.471   3.824          0.023
+ATOM     12  CA  ALA     7       3.511  -5.509   7.589          0.013
+ATOM     13  CB  ALA     7       3.873  -5.006   7.261          0.042
+ATOM     14  CA  ALA     8      -0.133  -5.472   8.709          0.035
+ATOM     15  CB  ALA     8      -0.714  -5.049   8.746          0.119
+ATOM     16  CA  ALA     9      -0.444  -9.120   7.667          0.026
+ATOM     17  CB  ALA     9      -0.345  -9.327   6.963          0.041
+ATOM     18  CA  ALA    10       2.877  -9.946   9.418          0.004
+ATOM     19  CB  ALA    10       3.545  -9.689   9.263          0.057
+ATOM     20  CA  ALA    11       0.399 -10.228  12.247          0.019
+ATOM     21  CB  ALA    11       0.748 -10.245  12.883          0.065
+ATOM     22  CA  ALA    12      -1.535  -7.115  13.183          0.013
+ATOM     23  CB  ALA    12      -1.143  -6.555  13.054          0.033
+ATOM     24  CA  ALA    13      -5.269  -7.004  12.965          0.004
+ATOM     25  CB  ALA    13      -5.210  -7.312  13.644          0.006
+ATOM     26  CA  CYS    14      -7.076  -4.441  10.734          0.002
+ATOM     27  CB  CYS    14      -7.117  -4.975   9.591          0.061
+ATOM     28  CA  ALA    15     -10.534  -3.409   9.643          0.004
+ATOM     29  CB  ALA    15     -11.128  -3.278  10.111          0.079
+ATOM     30  CA  ALA    16     -11.418  -0.184   8.020          0.006
+ATOM     31  CB  ALA    16     -11.205   0.236   7.399          0.038
+ATOM     32  CA  ALA    17     -14.682   0.788   6.445          0.039
+ATOM     33  CB  ALA    17     -15.148   0.666   7.011          0.113
+ATOM     34  CA  GLY    18     -13.706   4.364   5.660          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  299.78                                       ENERGY    -1.85186E+01
+ATOM      1  CA  GLY     1       0.688  -6.663  -1.778          0.021
+ATOM      2  CA  ALA     2       2.318  -3.530  -0.182          0.010
+ATOM      3  CB  ALA     2       2.092  -2.757  -0.105          0.136
+ATOM      4  CA  ALA     3       4.690  -3.313   2.849          0.038
+ATOM      5  CB  ALA     3       5.393  -3.063   2.965          0.029
+ATOM      6  CA  ALA     4       1.906  -1.539   4.791          0.006
+ATOM      7  CB  ALA     4       1.594  -0.933   4.513          0.166
+ATOM      8  CA  CYS     5      -0.542  -4.388   4.013          0.005
+ATOM      9  CB  CYS     5      -1.100  -4.579   2.983          0.015
+ATOM     10  CA  ALA     6       2.353  -6.955   4.382          0.029
+ATOM     11  CB  ALA     6       3.122  -7.112   4.285          0.226
+ATOM     12  CA  ALA     7       3.338  -5.399   7.602          0.053
+ATOM     13  CB  ALA     7       3.567  -4.735   7.748          0.030
+ATOM     14  CA  ALA     8      -0.248  -5.523   8.610          0.005
+ATOM     15  CB  ALA     8      -0.957  -5.507   8.395          0.028
+ATOM     16  CA  ALA     9      -0.511  -9.170   7.531          0.009
+ATOM     17  CB  ALA     9      -0.821  -9.257   6.866          0.010
+ATOM     18  CA  ALA    10       2.603 -10.023   9.567          0.019
+ATOM     19  CB  ALA    10       3.100  -9.450   9.588          0.102
+ATOM     20  CA  ALA    11       0.757 -10.258  12.870          0.016
+ATOM     21  CB  ALA    11       1.113 -10.342  13.462          0.082
+ATOM     22  CA  ALA    12      -1.312  -7.066  12.940          0.016
+ATOM     23  CB  ALA    12      -1.241  -6.380  12.614          0.005
+ATOM     24  CA  ALA    13      -5.095  -6.766  12.781          0.005
+ATOM     25  CB  ALA    13      -5.686  -6.749  13.171          0.025
+ATOM     26  CA  CYS    14      -7.455  -4.858  10.426          0.025
+ATOM     27  CB  CYS    14      -7.006  -5.725   9.677          0.029
+ATOM     28  CA  ALA    15     -10.992  -3.668   9.451          0.006
+ATOM     29  CB  ALA    15     -11.383  -3.796  10.051          0.005
+ATOM     30  CA  ALA    16     -11.051  -0.159   7.939          0.019
+ATOM     31  CB  ALA    16     -10.538  -0.004   7.584          0.068
+ATOM     32  CA  ALA    17     -14.559   1.073   7.078          0.006
+ATOM     33  CB  ALA    17     -15.214   0.872   7.155          0.068
+ATOM     34  CA  GLY    18     -13.453   4.543   6.207          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  304.78                                       ENERGY    -1.20522E+01
+ATOM      1  CA  GLY     1       0.285  -6.092  -1.315          0.001
+ATOM      2  CA  ALA     2       3.120  -3.626  -0.747          0.002
+ATOM      3  CB  ALA     2       2.761  -3.111  -0.552          0.085
+ATOM      4  CA  ALA     3       4.751  -3.682   2.652          0.002
+ATOM      5  CB  ALA     3       5.524  -3.492   2.878          0.005
+ATOM      6  CA  ALA     4       1.919  -1.414   3.880          0.029
+ATOM      7  CB  ALA     4       1.539  -0.838   3.517          0.134
+ATOM      8  CA  CYS     5      -0.399  -4.404   3.947          0.007
+ATOM      9  CB  CYS     5      -1.019  -4.583   2.976          0.001
+ATOM     10  CA  ALA     6       2.439  -6.864   4.721          0.027
+ATOM     11  CB  ALA     6       2.742  -6.564   4.127          0.121
+ATOM     12  CA  ALA     7       2.639  -5.204   8.217          0.009
+ATOM     13  CB  ALA     7       3.091  -4.736   8.717          0.024
+ATOM     14  CA  ALA     8      -1.098  -5.698   8.684          0.022
+ATOM     15  CB  ALA     8      -1.473  -5.112   8.490          0.125
+ATOM     16  CA  ALA     9      -0.544  -9.212   7.475          0.004
+ATOM     17  CB  ALA     9      -0.329  -9.515   6.841          0.003
+ATOM     18  CA  ALA    10       2.525  -9.685   9.534          0.011
+ATOM     19  CB  ALA    10       2.774  -9.039   9.847          0.034
+ATOM     20  CA  ALA    11       0.748  -9.902  12.845          0.017
+ATOM     21  CB  ALA    11       0.910 -10.142  13.555          0.080
+ATOM     22  CA  ALA    12      -1.788  -7.086  13.153          0.018
+ATOM     23  CB  ALA    12      -1.265  -6.794  12.711          0.041
+ATOM     24  CA  ALA    13      -5.576  -6.851  12.912          0.002
+ATOM     25  CB  ALA    13      -5.519  -6.777  13.716          0.050
+ATOM     26  CA  CYS    14      -6.916  -4.792  10.007          0.013
+ATOM     27  CB  CYS    14      -6.571  -5.269   8.927          0.045
+ATOM     28  CA  ALA    15     -10.633  -4.176   9.677          0.038
+ATOM     29  CB  ALA    15     -11.294  -4.080   9.798          0.068
+ATOM     30  CA  ALA    16     -11.292  -0.856   8.177          0.019
+ATOM     31  CB  ALA    16     -10.697  -0.751   7.751          0.038
+ATOM     32  CA  ALA    17     -14.309   1.120   7.283          0.020
+ATOM     33  CB  ALA    17     -14.984   1.160   7.674          0.022
+ATOM     34  CA  GLY    18     -12.881   4.632   6.673          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  309.78                                       ENERGY    -6.58265E+00
+ATOM      1  CA  GLY     1       0.356  -6.334  -1.369          0.010
+ATOM      2  CA  ALA     2       3.045  -3.634  -0.954          0.013
+ATOM      3  CB  ALA     2       3.136  -2.893  -1.361          0.018
+ATOM      4  CA  ALA     3       4.938  -3.641   2.338          0.012
+ATOM      5  CB  ALA     3       5.527  -3.241   2.419          0.031
+ATOM      6  CA  ALA     4       2.117  -1.522   3.966          0.014
+ATOM      7  CB  ALA     4       2.261  -0.964   3.527          0.096
+ATOM      8  CA  CYS     5      -0.480  -4.282   3.693          0.008
+ATOM      9  CB  CYS     5      -1.076  -4.542   2.621          0.010
+ATOM     10  CA  ALA     6       2.021  -6.771   5.107          0.014
+ATOM     11  CB  ALA     6       2.689  -6.790   5.537          0.021
+ATOM     12  CA  ALA     7       2.384  -4.880   8.315          0.019
+ATOM     13  CB  ALA     7       2.477  -4.099   8.225          0.030
+ATOM     14  CA  ALA     8      -1.228  -5.660   8.670          0.026
+ATOM     15  CB  ALA     8      -1.266  -5.257   8.058          0.005
+ATOM     16  CA  ALA     9      -0.528  -9.234   7.655          0.003
+ATOM     17  CB  ALA     9      -0.532  -9.737   7.170          0.009
+ATOM     18  CA  ALA    10       2.464  -9.459   9.880          0.008
+ATOM     19  CB  ALA    10       2.699  -8.866   9.568          0.023
+ATOM     20  CA  ALA    11       0.243 -10.063  12.875          0.019
+ATOM     21  CB  ALA    11       0.516 -10.738  13.138          0.086
+ATOM     22  CA  ALA    12      -1.988  -7.042  13.503          0.013
+ATOM     23  CB  ALA    12      -1.781  -6.351  13.414          0.110
+ATOM     24  CA  ALA    13      -5.649  -6.885  12.571          0.008
+ATOM     25  CB  ALA    13      -5.889  -6.925  13.222          0.080
+ATOM     26  CA  CYS    14      -6.750  -4.384   9.908          0.005
+ATOM     27  CB  CYS    14      -6.085  -4.590   8.873          0.020
+ATOM     28  CA  ALA    15     -10.567  -4.723   9.662          0.046
+ATOM     29  CB  ALA    15     -10.580  -5.299  10.081          0.027
+ATOM     30  CA  ALA    16     -11.212  -1.281   8.228          0.043
+ATOM     31  CB  ALA    16     -10.967  -0.752   7.680          0.020
+ATOM     32  CA  ALA    17     -14.131   1.078   7.681          0.009
+ATOM     33  CB  ALA    17     -14.556   1.402   8.104          0.019
+ATOM     34  CA  GLY    18     -12.527   4.310   6.804          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  314.78                                       ENERGY    -1.85165E+01
+ATOM      1  CA  GLY     1       0.649  -6.463  -2.238          0.018
+ATOM      2  CA  ALA     2       3.005  -3.793  -0.962          0.016
+ATOM      3  CB  ALA     2       2.657  -3.234  -1.267          0.036
+ATOM      4  CA  ALA     3       4.955  -3.539   2.292          0.026
+ATOM      5  CB  ALA     3       5.668  -3.711   2.313          0.003
+ATOM      6  CA  ALA     4       2.225  -1.519   3.885          0.050
+ATOM      7  CB  ALA     4       1.755  -0.955   3.663          0.196
+ATOM      8  CA  CYS     5      -0.234  -4.388   3.604          0.035
+ATOM      9  CB  CYS     5      -0.627  -4.438   2.416          0.041
+ATOM     10  CA  ALA     6       2.402  -6.705   5.092          0.076
+ATOM     11  CB  ALA     6       2.608  -6.686   4.358          0.066
+ATOM     12  CA  ALA     7       2.372  -4.732   8.285          0.016
+ATOM     13  CB  ALA     7       2.421  -4.026   8.325          0.022
+ATOM     14  CA  ALA     8      -1.334  -5.312   8.610          0.006
+ATOM     15  CB  ALA     8      -1.595  -4.768   8.160          0.073
+ATOM     16  CA  ALA     9      -0.656  -8.930   7.622          0.016
+ATOM     17  CB  ALA     9      -0.541  -9.154   6.908          0.075
+ATOM     18  CA  ALA    10       2.158  -9.509  10.070          0.078
+ATOM     19  CB  ALA    10       2.539  -8.952   9.891          0.032
+ATOM     20  CA  ALA    11       0.036 -10.239  13.071          0.028
+ATOM     21  CB  ALA    11      -0.081 -10.366  13.822          0.019
+ATOM     22  CA  ALA    12      -2.198  -7.319  14.178          0.009
+ATOM     23  CB  ALA    12      -1.789  -6.790  14.316          0.031
+ATOM     24  CA  ALA    13      -5.441  -6.832  12.381          0.003
+ATOM     25  CB  ALA    13      -5.960  -7.239  12.633          0.015
+ATOM     26  CA  CYS    14      -6.752  -4.422   9.691          0.001
+ATOM     27  CB  CYS    14      -6.105  -3.943   8.650          0.016
+ATOM     28  CA  ALA    15     -10.511  -5.042   9.396          0.026
+ATOM     29  CB  ALA    15     -11.133  -4.904   9.717          0.012
+ATOM     30  CA  ALA    16     -10.920  -1.290   8.696          0.003
+ATOM     31  CB  ALA    16     -10.256  -1.446   8.650          0.074
+ATOM     32  CA  ALA    17     -13.874   0.967   7.985          0.011
+ATOM     33  CB  ALA    17     -14.503   0.773   8.465          0.081
+ATOM     34  CA  GLY    18     -12.674   4.205   6.497          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  319.78                                       ENERGY    -1.62845E+01
+ATOM      1  CA  GLY     1       1.320  -6.651  -2.874          0.012
+ATOM      2  CA  ALA     2       2.662  -3.732  -0.953          0.033
+ATOM      3  CB  ALA     2       2.353  -3.312  -0.470          0.025
+ATOM      4  CA  ALA     3       4.836  -3.663   2.150          0.002
+ATOM      5  CB  ALA     3       5.596  -3.342   2.197          0.069
+ATOM      6  CA  ALA     4       2.239  -1.474   3.863          0.005
+ATOM      7  CB  ALA     4       2.330  -0.847   3.557          0.019
+ATOM      8  CA  CYS     5      -0.342  -4.233   3.571          0.005
+ATOM      9  CB  CYS     5      -0.621  -4.529   2.417          0.008
+ATOM     10  CA  ALA     6       2.191  -6.809   4.579          0.022
+ATOM     11  CB  ALA     6       2.793  -7.096   4.687          0.082
+ATOM     12  CA  ALA     7       3.117  -4.816   7.692          0.034
+ATOM     13  CB  ALA     7       3.275  -4.173   8.035          0.056
+ATOM     14  CA  ALA     8      -0.562  -5.057   8.533          0.028
+ATOM     15  CB  ALA     8      -1.219  -4.730   8.437          0.051
+ATOM     16  CA  ALA     9      -0.944  -8.713   8.037          0.021
+ATOM     17  CB  ALA     9      -0.827  -9.020   7.341          0.025
+ATOM     18  CA  ALA    10       2.002  -9.333  10.284          0.013
+ATOM     19  CB  ALA    10       2.057  -8.636  10.515          0.013
+ATOM     20  CA  ALA    11      -0.466 -10.252  13.048          0.010
+ATOM     21  CB  ALA    11      -0.014 -10.761  13.259          0.065
+ATOM     22  CA  ALA    12      -2.241  -7.080  14.166          0.027
+ATOM     23  CB  ALA    12      -1.830  -6.496  14.229          0.089
+ATOM     24  CA  ALA    13      -5.400  -7.372  12.205          0.063
+ATOM     25  CB  ALA    13      -5.997  -7.869  12.433          0.059
+ATOM     26  CA  CYS    14      -6.883  -4.600  10.116          0.011
+ATOM     27  CB  CYS    14      -6.492  -4.378   8.922          0.012
+ATOM     28  CA  ALA    15     -10.570  -4.605   9.446          0.005
+ATOM     29  CB  ALA    15     -10.874  -5.270   9.666          0.032
+ATOM     30  CA  ALA    16     -10.664  -0.837   9.016          0.005
+ATOM     31  CB  ALA    16     -10.277  -0.295   8.671          0.078
+ATOM     32  CA  ALA    17     -13.790   0.678   7.574          0.020
+ATOM     33  CB  ALA    17     -14.369   0.448   7.908          0.088
+ATOM     34  CA  GLY    18     -13.603   4.367   6.961          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  324.78                                       ENERGY    -1.28757E+01
+ATOM      1  CA  GLY     1       1.380  -6.623  -2.849          0.007
+ATOM      2  CA  ALA     2       2.484  -3.485  -0.933          0.005
+ATOM      3  CB  ALA     2       2.021  -2.840  -0.837          0.010
+ATOM      4  CA  ALA     3       4.976  -3.811   1.986          0.062
+ATOM      5  CB  ALA     3       5.541  -3.447   2.022          0.002
+ATOM      6  CA  ALA     4       2.654  -1.737   4.135          0.047
+ATOM      7  CB  ALA     4       2.159  -1.143   4.343          0.050
+ATOM      8  CA  CYS     5      -0.108  -4.346   3.522          0.009
+ATOM      9  CB  CYS     5      -0.306  -4.804   2.399          0.015
+ATOM     10  CA  ALA     6       2.158  -7.155   4.589          0.005
+ATOM     11  CB  ALA     6       2.373  -7.752   4.268          0.066
+ATOM     12  CA  ALA     7       3.034  -4.829   7.531          0.023
+ATOM     13  CB  ALA     7       3.404  -4.291   7.086          0.012
+ATOM     14  CA  ALA     8      -0.427  -4.432   8.898          0.021
+ATOM     15  CB  ALA     8      -0.903  -3.948   8.586          0.118
+ATOM     16  CA  ALA     9      -0.795  -8.231   8.181          0.042
+ATOM     17  CB  ALA     9      -0.760  -8.498   7.502          0.029
+ATOM     18  CA  ALA    10       2.047  -9.084  10.520          0.002
+ATOM     19  CB  ALA    10       2.501  -8.454  10.458          0.027
+ATOM     20  CA  ALA    11      -0.324 -10.768  13.119          0.014
+ATOM     21  CB  ALA    11      -0.300 -11.181  13.694          0.026
+ATOM     22  CA  ALA    12      -1.990  -7.329  13.562          0.021
+ATOM     23  CB  ALA    12      -2.075  -6.642  13.274          0.126
+ATOM     24  CA  ALA    13      -5.510  -7.854  12.276          0.020
+ATOM     25  CB  ALA    13      -5.911  -8.045  12.751          0.005
+ATOM     26  CA  CYS    14      -6.833  -4.727  10.578          0.026
+ATOM     27  CB  CYS    14      -6.233  -4.952   9.608          0.070
+ATOM     28  CA  ALA    15     -10.378  -4.239   9.289          0.067
+ATOM     29  CB  ALA    15     -11.018  -4.191   9.695          0.018
+ATOM     30  CA  ALA    16     -11.116  -0.541   8.937          0.038
+ATOM     31  CB  ALA    16     -10.469  -0.379   8.677          0.006
+ATOM     32  CA  ALA    17     -13.966   0.971   6.831          0.013
+ATOM     33  CB  ALA    17     -14.372   0.425   7.085          0.037
+ATOM     34  CA  GLY    18     -14.859   4.582   7.664          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  329.78                                       ENERGY    -1.44092E+01
+ATOM      1  CA  GLY     1       1.656  -6.297  -3.183          0.016
+ATOM      2  CA  ALA     2       2.497  -3.237  -1.114          0.012
+ATOM      3  CB  ALA     2       1.978  -2.794  -1.041          0.006
+ATOM      4  CA  ALA     3       4.660  -4.254   1.853          0.033
+ATOM      5  CB  ALA     3       5.395  -3.943   1.945          0.023
+ATOM      6  CA  ALA     4       2.507  -2.093   4.224          0.002
+ATOM      7  CB  ALA     4       2.310  -1.335   4.277          0.069
+ATOM      8  CA  CYS     5      -0.442  -4.334   3.610          0.004
+ATOM      9  CB  CYS     5      -0.558  -4.722   2.420          0.019
+ATOM     10  CA  ALA     6       1.893  -7.181   4.922          0.013
+ATOM     11  CB  ALA     6       2.544  -7.069   4.531          0.021
+ATOM     12  CA  ALA     7       3.579  -5.097   7.602          0.015
+ATOM     13  CB  ALA     7       4.244  -4.774   7.782          0.013
+ATOM     14  CA  ALA     8       0.197  -4.337   9.081          0.055
+ATOM     15  CB  ALA     8      -0.327  -3.827   9.014          0.042
+ATOM     16  CA  ALA     9      -0.989  -7.931   8.459          0.052
+ATOM     17  CB  ALA     9      -1.076  -8.390   7.900          0.187
+ATOM     18  CA  ALA    10       2.255  -9.250   9.898          0.022
+ATOM     19  CB  ALA    10       2.500  -8.711  10.360          0.025
+ATOM     20  CA  ALA    11       0.495 -10.578  12.954          0.040
+ATOM     21  CB  ALA    11       0.542 -10.777  13.743          0.018
+ATOM     22  CA  ALA    12      -2.016  -7.676  13.277          0.063
+ATOM     23  CB  ALA    12      -1.569  -7.339  12.833          0.093
+ATOM     24  CA  ALA    13      -5.812  -8.002  12.659          0.017
+ATOM     25  CB  ALA    13      -6.438  -8.405  12.798          0.015
+ATOM     26  CA  CYS    14      -7.130  -4.794  10.938          0.005
+ATOM     27  CB  CYS    14      -6.357  -5.177  10.110          0.024
+ATOM     28  CA  ALA    15     -10.239  -3.766   9.141          0.006
+ATOM     29  CB  ALA    15     -10.748  -4.111   9.427          0.020
+ATOM     30  CA  ALA    16     -11.170  -0.147   8.567          0.023
+ATOM     31  CB  ALA    16     -10.618   0.271   8.197          0.124
+ATOM     32  CA  ALA    17     -14.310   1.081   6.738          0.031
+ATOM     33  CB  ALA    17     -15.000   0.860   6.493          0.032
+ATOM     34  CA  GLY    18     -15.810   4.459   7.660          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  334.78                                       ENERGY    -1.33719E+01
+ATOM      1  CA  GLY     1       0.981  -5.847  -3.782          0.027
+ATOM      2  CA  ALA     2       2.464  -3.433  -1.112          0.002
+ATOM      3  CB  ALA     2       2.297  -2.802  -0.692          0.021
+ATOM      4  CA  ALA     3       4.495  -4.333   2.013          0.009
+ATOM      5  CB  ALA     3       5.177  -4.526   1.953          0.029
+ATOM      6  CA  ALA     4       2.543  -1.842   4.058          0.014
+ATOM      7  CB  ALA     4       2.562  -1.114   3.694          0.031
+ATOM      8  CA  CYS     5      -0.306  -4.232   4.453          0.016
+ATOM      9  CB  CYS     5      -0.075  -4.588   3.309          0.048
+ATOM     10  CA  ALA     6       2.061  -7.206   4.812          0.015
+ATOM     11  CB  ALA     6       2.300  -7.362   4.216          0.042
+ATOM     12  CA  ALA     7       3.588  -5.313   7.769          0.008
+ATOM     13  CB  ALA     7       3.347  -4.904   7.191          0.081
+ATOM     14  CA  ALA     8       0.154  -4.612   9.319          0.027
+ATOM     15  CB  ALA     8      -0.216  -3.948   9.604          0.036
+ATOM     16  CA  ALA     9      -0.762  -8.202   8.466          0.014
+ATOM     17  CB  ALA     9      -1.232  -7.900   7.932          0.076
+ATOM     18  CA  ALA    10       2.394  -9.408  10.025          0.003
+ATOM     19  CB  ALA    10       2.955  -8.985   9.745          0.094
+ATOM     20  CA  ALA    11       0.609 -10.511  13.211          0.016
+ATOM     21  CB  ALA    11       1.278 -10.829  13.522          0.053
+ATOM     22  CA  ALA    12      -2.107  -7.867  13.094          0.026
+ATOM     23  CB  ALA    12      -2.058  -7.529  12.363          0.024
+ATOM     24  CA  ALA    13      -5.845  -8.153  12.484          0.068
+ATOM     25  CB  ALA    13      -5.645  -8.376  13.141          0.091
+ATOM     26  CA  CYS    14      -7.102  -4.932  10.911          0.047
+ATOM     27  CB  CYS    14      -6.145  -4.783  10.145          0.009
+ATOM     28  CA  ALA    15     -10.197  -3.480   9.021          0.018
+ATOM     29  CB  ALA    15     -10.844  -3.722   9.262          0.023
+ATOM     30  CA  ALA    16     -11.450   0.101   8.321          0.027
+ATOM     31  CB  ALA    16     -11.072   0.597   8.006          0.049
+ATOM     32  CA  ALA    17     -14.775   1.067   6.767          0.003
+ATOM     33  CB  ALA    17     -15.038   0.376   6.683          0.015
+ATOM     34  CA  GLY    18     -16.094   4.592   7.043          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  339.78                                       ENERGY    -2.07552E+01
+ATOM      1  CA  GLY     1       0.167  -5.190  -3.293          0.051
+ATOM      2  CA  ALA     2       2.511  -3.201  -1.034          0.003
+ATOM      3  CB  ALA     2       2.247  -2.635  -0.677          0.024
+ATOM      4  CA  ALA     3       4.361  -4.866   1.872          0.004
+ATOM      5  CB  ALA     3       5.120  -4.858   2.158          0.035
+ATOM      6  CA  ALA     4       2.835  -2.163   4.097          0.005
+ATOM      7  CB  ALA     4       2.770  -1.483   3.888          0.067
+ATOM      8  CA  CYS     5      -0.383  -4.099   4.085          0.020
+ATOM      9  CB  CYS     5      -0.571  -4.141   2.878          0.050
+ATOM     10  CA  ALA     6       1.676  -7.056   5.134          0.015
+ATOM     11  CB  ALA     6       2.207  -7.552   5.203          0.049
+ATOM     12  CA  ALA     7       3.544  -4.885   7.640          0.018
+ATOM     13  CB  ALA     7       4.076  -4.308   7.744          0.030
+ATOM     14  CA  ALA     8       0.496  -4.797   9.716          0.033
+ATOM     15  CB  ALA     8      -0.079  -4.550  10.007          0.084
+ATOM     16  CA  ALA     9      -0.826  -8.184   8.317          0.025
+ATOM     17  CB  ALA     9      -1.123  -8.325   7.660          0.048
+ATOM     18  CA  ALA    10       2.293  -9.981   9.672          0.016
+ATOM     19  CB  ALA    10       2.999  -9.788   9.738          0.019
+ATOM     20  CA  ALA    11       0.824 -10.399  13.157          0.046
+ATOM     21  CB  ALA    11       0.779 -10.326  13.935          0.031
+ATOM     22  CA  ALA    12      -2.098  -8.038  13.092          0.014
+ATOM     23  CB  ALA    12      -1.577  -7.567  13.014          0.068
+ATOM     24  CA  ALA    13      -5.559  -7.758  11.627          0.074
+ATOM     25  CB  ALA    13      -6.089  -7.845  12.201          0.149
+ATOM     26  CA  CYS    14      -6.758  -4.272  10.692          0.038
+ATOM     27  CB  CYS    14      -5.710  -4.539   9.975          0.052
+ATOM     28  CA  ALA    15     -10.323  -3.568   9.459          0.030
+ATOM     29  CB  ALA    15     -11.019  -3.719   9.637          0.042
+ATOM     30  CA  ALA    16     -11.429  -0.054   8.311          0.051
+ATOM     31  CB  ALA    16     -10.765   0.247   8.236          0.004
+ATOM     32  CA  ALA    17     -14.907   0.598   6.937          0.013
+ATOM     33  CB  ALA    17     -15.608   0.547   7.224          0.011
+ATOM     34  CA  GLY    18     -15.876   4.129   5.929          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  344.78                                       ENERGY    -1.76599E+01
+ATOM      1  CA  GLY     1      -0.887  -4.581  -2.664          0.020
+ATOM      2  CA  ALA     2       2.381  -3.430  -1.060          0.006
+ATOM      3  CB  ALA     2       2.443  -2.654  -0.785          0.008
+ATOM      4  CA  ALA     3       4.489  -4.638   1.889          0.022
+ATOM      5  CB  ALA     3       5.248  -4.525   1.765          0.039
+ATOM      6  CA  ALA     4       2.959  -2.032   4.161          0.004
+ATOM      7  CB  ALA     4       3.140  -1.208   4.088          0.026
+ATOM      8  CA  CYS     5      -0.283  -3.955   4.329          0.015
+ATOM      9  CB  CYS     5      -0.523  -3.697   3.173          0.052
+ATOM     10  CA  ALA     6       1.558  -7.269   4.946          0.035
+ATOM     11  CB  ALA     6       2.183  -7.616   4.553          0.087
+ATOM     12  CA  ALA     7       3.340  -5.581   7.949          0.021
+ATOM     13  CB  ALA     7       3.535  -5.179   7.419          0.117
+ATOM     14  CA  ALA     8       0.033  -5.113   9.637          0.035
+ATOM     15  CB  ALA     8      -0.503  -4.667   9.388          0.039
+ATOM     16  CA  ALA     9      -0.946  -8.648   8.622          0.005
+ATOM     17  CB  ALA     9      -0.850  -8.120   8.084          0.130
+ATOM     18  CA  ALA    10       2.304 -10.021   9.979          0.031
+ATOM     19  CB  ALA    10       2.744  -9.522   9.660          0.065
+ATOM     20  CA  ALA    11       0.317 -10.461  13.193          0.015
+ATOM     21  CB  ALA    11       0.784 -10.842  13.526          0.082
+ATOM     22  CA  ALA    12      -2.179  -7.674  13.757          0.030
+ATOM     23  CB  ALA    12      -2.351  -6.934  13.594          0.056
+ATOM     24  CA  ALA    13      -5.185  -7.653  11.410          0.075
+ATOM     25  CB  ALA    13      -5.426  -8.173  11.817          0.083
+ATOM     26  CA  CYS    14      -6.159  -4.127  10.432          0.012
+ATOM     27  CB  CYS    14      -5.556  -3.636   9.364          0.008
+ATOM     28  CA  ALA    15      -9.758  -3.514   9.597          0.001
+ATOM     29  CB  ALA    15     -10.194  -4.010   9.956          0.029
+ATOM     30  CA  ALA    16     -11.475  -0.419   8.219          0.015
+ATOM     31  CB  ALA    16     -11.272   0.167   7.702          0.020
+ATOM     32  CA  ALA    17     -15.046   0.531   7.304          0.013
+ATOM     33  CB  ALA    17     -15.304   0.395   7.994          0.045
+ATOM     34  CA  GLY    18     -15.458   3.407   4.848          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  349.78                                       ENERGY    -2.62267E+01
+ATOM      1  CA  GLY     1      -1.358  -4.400  -1.720          0.012
+ATOM      2  CA  ALA     2       2.046  -3.031  -0.656          0.008
+ATOM      3  CB  ALA     2       1.992  -2.289  -0.764          0.077
+ATOM      4  CA  ALA     3       4.348  -4.676   2.021          0.005
+ATOM      5  CB  ALA     3       5.138  -4.732   1.799          0.035
+ATOM      6  CA  ALA     4       3.200  -2.095   4.518          0.037
+ATOM      7  CB  ALA     4       3.298  -1.400   4.299          0.027
+ATOM      8  CA  CYS     5      -0.179  -3.743   4.300          0.022
+ATOM      9  CB  CYS     5      -0.818  -3.332   3.303          0.116
+ATOM     10  CA  ALA     6       1.535  -7.107   4.657          0.006
+ATOM     11  CB  ALA     6       1.782  -7.200   3.971          0.038
+ATOM     12  CA  ALA     7       3.215  -5.689   7.791          0.048
+ATOM     13  CB  ALA     7       3.589  -5.131   8.153          0.100
+ATOM     14  CA  ALA     8      -0.302  -5.199   9.083          0.015
+ATOM     15  CB  ALA     8      -0.354  -4.452   8.958          0.126
+ATOM     16  CA  ALA     9      -1.195  -8.751   8.174          0.010
+ATOM     17  CB  ALA     9      -1.276  -9.536   7.943          0.185
+ATOM     18  CA  ALA    10       1.697 -10.185  10.172          0.022
+ATOM     19  CB  ALA    10       2.033  -9.641  10.455          0.108
+ATOM     20  CA  ALA    11      -0.199 -10.888  13.443          0.007
+ATOM     21  CB  ALA    11       0.067 -11.052  14.142          0.164
+ATOM     22  CA  ALA    12      -1.517  -7.351  13.625          0.038
+ATOM     23  CB  ALA    12      -1.114  -6.829  13.402          0.232
+ATOM     24  CA  ALA    13      -4.542  -6.973  11.382          0.055
+ATOM     25  CB  ALA    13      -4.910  -7.593  11.548          0.110
+ATOM     26  CA  CYS    14      -5.838  -3.574  10.351          0.019
+ATOM     27  CB  CYS    14      -5.170  -3.907   9.385          0.021
+ATOM     28  CA  ALA    15      -9.510  -3.559   9.326          0.027
+ATOM     29  CB  ALA    15     -10.097  -3.477   9.793          0.011
+ATOM     30  CA  ALA    16     -11.141  -0.618   7.506          0.020
+ATOM     31  CB  ALA    16     -10.847  -0.553   6.914          0.056
+ATOM     32  CA  ALA    17     -14.856   0.159   7.644          0.017
+ATOM     33  CB  ALA    17     -15.389   0.313   8.164          0.018
+ATOM     34  CA  GLY    18     -15.430   2.733   4.886          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  354.78                                       ENERGY    -2.74378E+01
+ATOM      1  CA  GLY     1      -1.496  -4.583  -1.141          0.022
+ATOM      2  CA  ALA     2       1.680  -2.839  -0.217          0.064
+ATOM      3  CB  ALA     2       1.523  -2.249   0.228          0.006
+ATOM      4  CA  ALA     3       4.393  -4.301   1.963          0.021
+ATOM      5  CB  ALA     3       5.100  -4.494   1.676          0.039
+ATOM      6  CA  ALA     4       3.141  -1.874   4.705          0.013
+ATOM      7  CB  ALA     4       3.085  -1.108   4.575          0.028
+ATOM      8  CA  CYS     5      -0.303  -3.451   4.623          0.028
+ATOM      9  CB  CYS     5      -0.981  -3.205   3.710          0.024
+ATOM     10  CA  ALA     6       1.182  -6.908   4.085          0.011
+ATOM     11  CB  ALA     6       1.671  -7.333   3.758          0.183
+ATOM     12  CA  ALA     7       3.200  -6.663   7.233          0.019
+ATOM     13  CB  ALA     7       3.682  -6.347   7.692          0.031
+ATOM     14  CA  ALA     8       0.140  -5.356   9.083          0.015
+ATOM     15  CB  ALA     8      -0.230  -4.736   9.230          0.337
+ATOM     16  CA  ALA     9      -1.344  -8.826   8.407          0.031
+ATOM     17  CB  ALA     9      -1.932  -8.850   7.990          0.037
+ATOM     18  CA  ALA    10       1.542 -10.379  10.300          0.006
+ATOM     19  CB  ALA    10       2.351 -10.508  10.342          0.094
+ATOM     20  CA  ALA    11      -0.996 -10.542  13.131          0.018
+ATOM     21  CB  ALA    11      -1.287 -11.114  13.505          0.097
+ATOM     22  CA  ALA    12      -0.675  -6.772  13.621          0.088
+ATOM     23  CB  ALA    12      -0.253  -6.457  13.088          0.103
+ATOM     24  CA  ALA    13      -4.325  -6.456  12.569          0.032
+ATOM     25  CB  ALA    13      -4.779  -6.745  13.063          0.230
+ATOM     26  CA  CYS    14      -5.600  -4.338   9.644          0.016
+ATOM     27  CB  CYS    14      -4.978  -3.789   8.798          0.005
+ATOM     28  CA  ALA    15      -9.248  -3.284   9.242          0.026
+ATOM     29  CB  ALA    15      -9.452  -3.143   9.920          0.081
+ATOM     30  CA  ALA    16     -10.887  -0.702   6.986          0.021
+ATOM     31  CB  ALA    16     -10.791  -0.782   6.213          0.006
+ATOM     32  CA  ALA    17     -14.638  -0.284   7.224          0.006
+ATOM     33  CB  ALA    17     -14.682  -0.330   7.908          0.091
+ATOM     34  CA  GLY    18     -16.022   2.626   5.174          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  359.78                                       ENERGY    -2.87062E+01
+ATOM      1  CA  GLY     1      -1.976  -4.824  -0.471          0.065
+ATOM      2  CA  ALA     2       1.097  -2.639   0.178          0.007
+ATOM      3  CB  ALA     2       1.093  -2.012   0.579          0.195
+ATOM      4  CA  ALA     3       4.250  -3.962   1.935          0.021
+ATOM      5  CB  ALA     3       4.868  -3.591   1.790          0.025
+ATOM      6  CA  ALA     4       3.305  -2.445   5.293          0.008
+ATOM      7  CB  ALA     4       3.254  -1.689   5.395          0.108
+ATOM      8  CA  CYS     5      -0.249  -3.686   5.047          0.077
+ATOM      9  CB  CYS     5      -0.956  -3.175   4.117          0.006
+ATOM     10  CA  ALA     6       0.851  -7.215   4.276          0.012
+ATOM     11  CB  ALA     6       1.093  -6.895   3.650          0.046
+ATOM     12  CA  ALA     7       3.450  -6.969   6.978          0.056
+ATOM     13  CB  ALA     7       3.996  -6.780   6.495          0.053
+ATOM     14  CA  ALA     8       0.696  -5.722   9.362          0.082
+ATOM     15  CB  ALA     8       0.186  -5.194   9.614          0.105
+ATOM     16  CA  ALA     9      -1.600  -8.392   7.931          0.124
+ATOM     17  CB  ALA     9      -1.692  -8.760   7.278          0.067
+ATOM     18  CA  ALA    10       0.790 -10.870   9.327          0.012
+ATOM     19  CB  ALA    10       1.192 -10.267   9.225          0.037
+ATOM     20  CA  ALA    11      -0.710 -10.508  12.782          0.023
+ATOM     21  CB  ALA    11      -0.626 -10.569  13.558          0.024
+ATOM     22  CA  ALA    12      -0.976  -6.957  14.077          0.023
+ATOM     23  CB  ALA    12      -0.706  -6.249  13.894          0.009
+ATOM     24  CA  ALA    13      -4.188  -5.186  13.126          0.055
+ATOM     25  CB  ALA    13      -4.506  -4.597  13.351          0.116
+ATOM     26  CA  CYS    14      -5.373  -4.498   9.599          0.005
+ATOM     27  CB  CYS    14      -4.558  -4.374   8.735          0.040
+ATOM     28  CA  ALA    15      -8.811  -2.999   9.164          0.036
+ATOM     29  CB  ALA    15      -9.293  -2.932   9.743          0.013
+ATOM     30  CA  ALA    16     -10.519  -1.006   6.445          0.028
+ATOM     31  CB  ALA    16     -10.630  -1.201   5.730          0.071
+ATOM     32  CA  ALA    17     -14.300  -0.520   6.754          0.018
+ATOM     33  CB  ALA    17     -14.400  -0.412   7.521          0.015
+ATOM     34  CA  GLY    18     -16.683   2.115   5.405          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  364.78                                       ENERGY    -1.77104E+01
+ATOM      1  CA  GLY     1      -2.375  -4.418   0.705          0.052
+ATOM      2  CA  ALA     2       0.738  -2.193   0.639          0.032
+ATOM      3  CB  ALA     2       0.728  -1.641   1.111          0.006
+ATOM      4  CA  ALA     3       3.843  -4.025   1.989          0.004
+ATOM      5  CB  ALA     3       4.605  -4.109   1.983          0.045
+ATOM      6  CA  ALA     4       3.225  -2.600   5.458          0.034
+ATOM      7  CB  ALA     4       3.278  -2.110   5.968          0.035
+ATOM      8  CA  CYS     5      -0.352  -3.736   5.165          0.030
+ATOM      9  CB  CYS     5      -1.195  -2.928   4.695          0.064
+ATOM     10  CA  ALA     6       0.813  -7.238   3.983          0.033
+ATOM     11  CB  ALA     6       1.172  -7.807   3.625          0.003
+ATOM     12  CA  ALA     7       3.356  -7.180   6.736          0.013
+ATOM     13  CB  ALA     7       3.853  -6.554   6.926          0.059
+ATOM     14  CA  ALA     8       0.796  -5.815   9.142          0.016
+ATOM     15  CB  ALA     8       0.344  -5.179   8.932          0.149
+ATOM     16  CA  ALA     9      -1.711  -8.413   8.080          0.008
+ATOM     17  CB  ALA     9      -1.656  -8.185   7.297          0.039
+ATOM     18  CA  ALA    10       0.392 -11.364   9.235          0.017
+ATOM     19  CB  ALA    10       0.976 -11.238   8.724          0.020
+ATOM     20  CA  ALA    11      -0.810 -10.272  12.683          0.033
+ATOM     21  CB  ALA    11      -0.289 -10.772  12.762          0.004
+ATOM     22  CA  ALA    12      -0.777  -6.494  13.624          0.034
+ATOM     23  CB  ALA    12      -0.078  -6.372  13.362          0.089
+ATOM     24  CA  ALA    13      -4.180  -4.759  13.451          0.012
+ATOM     25  CB  ALA    13      -4.025  -4.273  14.035          0.028
+ATOM     26  CA  CYS    14      -5.153  -4.118   9.871          0.012
+ATOM     27  CB  CYS    14      -4.399  -3.943   8.925          0.043
+ATOM     28  CA  ALA    15      -8.495  -2.819   8.741          0.028
+ATOM     29  CB  ALA    15      -8.983  -2.348   8.993          0.030
+ATOM     30  CA  ALA    16     -10.572  -1.453   5.829          0.017
+ATOM     31  CB  ALA    16     -10.171  -1.747   5.309          0.112
+ATOM     32  CA  ALA    17     -14.089  -0.629   6.944          0.043
+ATOM     33  CB  ALA    17     -14.074  -0.107   7.444          0.096
+ATOM     34  CA  GLY    18     -16.779   1.038   4.871          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  369.78                                       ENERGY    -1.80246E+01
+ATOM      1  CA  GLY     1      -2.973  -3.136   0.146          0.086
+ATOM      2  CA  ALA     2       0.620  -2.236   0.893          0.003
+ATOM      3  CB  ALA     2       0.759  -1.636   1.369          0.006
+ATOM      4  CA  ALA     3       3.507  -4.355   2.081          0.010
+ATOM      5  CB  ALA     3       3.914  -4.003   1.564          0.040
+ATOM      6  CA  ALA     4       3.216  -2.514   5.436          0.015
+ATOM      7  CB  ALA     4       3.446  -1.774   5.598          0.008
+ATOM      8  CA  CYS     5      -0.363  -3.760   5.543          0.020
+ATOM      9  CB  CYS     5      -1.265  -3.251   5.091          0.026
+ATOM     10  CA  ALA     6       0.958  -7.007   3.924          0.012
+ATOM     11  CB  ALA     6       0.714  -6.838   3.205          0.042
+ATOM     12  CA  ALA     7       3.110  -7.557   7.024          0.033
+ATOM     13  CB  ALA     7       3.871  -7.679   7.025          0.126
+ATOM     14  CA  ALA     8       0.610  -5.852   9.257          0.027
+ATOM     15  CB  ALA     8       0.426  -5.181   9.539          0.006
+ATOM     16  CA  ALA     9      -2.208  -8.221   8.285          0.024
+ATOM     17  CB  ALA     9      -2.473  -8.018   7.597          0.040
+ATOM     18  CA  ALA    10       0.213 -11.116   8.839          0.014
+ATOM     19  CB  ALA    10       0.833 -11.507   9.224          0.020
+ATOM     20  CA  ALA    11      -0.518 -10.550  12.585          0.041
+ATOM     21  CB  ALA    11      -0.182 -10.864  13.227          0.039
+ATOM     22  CA  ALA    12      -0.219  -6.859  13.560          0.006
+ATOM     23  CB  ALA    12      -0.003  -6.114  13.588          0.001
+ATOM     24  CA  ALA    13      -3.646  -5.393  12.711          0.062
+ATOM     25  CB  ALA    13      -3.751  -5.122  13.386          0.126
+ATOM     26  CA  CYS    14      -4.953  -2.923  10.082          0.057
+ATOM     27  CB  CYS    14      -4.239  -3.440   9.205          0.025
+ATOM     28  CA  ALA    15      -8.586  -2.183   9.074          0.011
+ATOM     29  CB  ALA    15      -8.829  -1.637   9.433          0.050
+ATOM     30  CA  ALA    16     -10.164  -2.005   5.582          0.024
+ATOM     31  CB  ALA    16     -10.660  -2.256   5.129          0.042
+ATOM     32  CA  ALA    17     -13.648  -0.675   6.448          0.034
+ATOM     33  CB  ALA    17     -13.360  -0.266   7.083          0.020
+ATOM     34  CA  GLY    18     -16.655  -0.071   4.214          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  374.78                                       ENERGY    -2.15012E+01
+ATOM      1  CA  GLY     1      -3.190  -2.501  -0.346          0.037
+ATOM      2  CA  ALA     2       0.316  -1.615   0.762          0.027
+ATOM      3  CB  ALA     2       0.455  -1.298   1.464          0.090
+ATOM      4  CA  ALA     3       3.192  -4.090   1.465          0.093
+ATOM      5  CB  ALA     3       3.986  -4.057   1.324          0.014
+ATOM      6  CA  ALA     4       3.426  -2.878   5.099          0.026
+ATOM      7  CB  ALA     4       3.396  -2.194   5.469          0.024
+ATOM      8  CA  CYS     5      -0.307  -3.395   5.537          0.018
+ATOM      9  CB  CYS     5      -1.187  -2.663   5.001          0.023
+ATOM     10  CA  ALA     6       0.175  -6.918   4.116          0.007
+ATOM     11  CB  ALA     6       0.649  -7.494   3.891          0.231
+ATOM     12  CA  ALA     7       2.723  -7.597   6.958          0.006
+ATOM     13  CB  ALA     7       3.404  -7.582   6.912          0.027
+ATOM     14  CA  ALA     8       0.631  -5.850   9.552          0.009
+ATOM     15  CB  ALA     8       0.461  -5.112   9.571          0.025
+ATOM     16  CA  ALA     9      -2.270  -8.159   8.860          0.008
+ATOM     17  CB  ALA     9      -2.591  -8.498   8.284          0.069
+ATOM     18  CA  ALA    10      -0.001 -11.085   9.260          0.042
+ATOM     19  CB  ALA    10       0.322 -10.713   8.679          0.007
+ATOM     20  CA  ALA    11      -0.304 -10.680  13.029          0.001
+ATOM     21  CB  ALA    11       0.159 -11.214  13.370          0.029
+ATOM     22  CA  ALA    12      -0.487  -6.974  13.428          0.037
+ATOM     23  CB  ALA    12       0.342  -7.038  13.345          0.078
+ATOM     24  CA  ALA    13      -3.927  -5.609  12.637          0.018
+ATOM     25  CB  ALA    13      -4.554  -5.747  13.050          0.078
+ATOM     26  CA  CYS    14      -4.429  -2.776  10.142          0.014
+ATOM     27  CB  CYS    14      -3.855  -3.342   9.275          0.011
+ATOM     28  CA  ALA    15      -7.967  -1.719   9.196          0.014
+ATOM     29  CB  ALA    15      -8.227  -1.073   9.351          0.159
+ATOM     30  CA  ALA    16     -10.065  -2.333   6.114          0.014
+ATOM     31  CB  ALA    16      -9.531  -2.923   6.192          0.112
+ATOM     32  CA  ALA    17     -13.535  -0.805   6.098          0.044
+ATOM     33  CB  ALA    17     -13.933  -0.316   6.510          0.099
+ATOM     34  CA  GLY    18     -16.000  -0.855   3.265          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  379.78                                       ENERGY    -1.93743E+01
+ATOM      1  CA  GLY     1      -3.049  -1.889   0.322          0.012
+ATOM      2  CA  ALA     2       0.662  -1.041   0.328          0.031
+ATOM      3  CB  ALA     2       0.770  -0.395   0.769          0.028
+ATOM      4  CA  ALA     3       2.872  -4.040   1.231          0.038
+ATOM      5  CB  ALA     3       3.151  -4.421   0.669          0.023
+ATOM      6  CA  ALA     4       3.212  -3.364   4.964          0.013
+ATOM      7  CB  ALA     4       3.708  -2.798   4.862          0.006
+ATOM      8  CA  CYS     5      -0.593  -3.381   5.373          0.007
+ATOM      9  CB  CYS     5      -1.239  -2.497   4.665          0.048
+ATOM     10  CA  ALA     6      -0.407  -7.022   4.473          0.046
+ATOM     11  CB  ALA     6      -0.909  -7.008   3.986          0.071
+ATOM     12  CA  ALA     7       2.585  -7.447   6.847          0.011
+ATOM     13  CB  ALA     7       3.131  -6.988   6.992          0.048
+ATOM     14  CA  ALA     8       0.667  -5.532   9.503          0.030
+ATOM     15  CB  ALA     8       0.418  -4.892   9.754          0.033
+ATOM     16  CA  ALA     9      -2.189  -7.975   9.165          0.026
+ATOM     17  CB  ALA     9      -2.571  -8.115   8.529          0.051
+ATOM     18  CA  ALA    10       0.377 -10.744   9.186          0.003
+ATOM     19  CB  ALA    10       1.105 -10.732   8.928          0.058
+ATOM     20  CA  ALA    11      -0.513 -11.387  12.825          0.023
+ATOM     21  CB  ALA    11       0.065 -11.105  13.332          0.083
+ATOM     22  CA  ALA    12      -0.875  -7.698  13.823          0.028
+ATOM     23  CB  ALA    12      -0.744  -7.028  13.552          0.041
+ATOM     24  CA  ALA    13      -4.126  -5.656  13.274          0.051
+ATOM     25  CB  ALA    13      -4.552  -5.689  13.870          0.025
+ATOM     26  CA  CYS    14      -4.175  -3.223  10.254          0.026
+ATOM     27  CB  CYS    14      -3.749  -3.674   9.139          0.018
+ATOM     28  CA  ALA    15      -7.328  -1.159   9.484          0.024
+ATOM     29  CB  ALA    15      -7.130  -0.429   9.587          0.072
+ATOM     30  CA  ALA    16      -9.908  -2.511   6.998          0.026
+ATOM     31  CB  ALA    16     -10.264  -2.872   6.524          0.044
+ATOM     32  CA  ALA    17     -13.112  -1.134   5.493          0.039
+ATOM     33  CB  ALA    17     -13.093  -0.443   5.756          0.069
+ATOM     34  CA  GLY    18     -15.216  -2.035   2.441          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  384.77                                       ENERGY    -2.48342E+01
+ATOM      1  CA  GLY     1      -3.051  -0.749   0.001          0.041
+ATOM      2  CA  ALA     2       0.755  -0.942  -0.140          0.028
+ATOM      3  CB  ALA     2       1.112  -0.777   0.488          0.073
+ATOM      4  CA  ALA     3       2.041  -4.372   1.050          0.023
+ATOM      5  CB  ALA     3       2.494  -4.907   0.630          0.076
+ATOM      6  CA  ALA     4       3.094  -3.182   4.489          0.010
+ATOM      7  CB  ALA     4       3.406  -2.547   4.539          0.071
+ATOM      8  CA  CYS     5      -0.639  -2.757   5.199          0.009
+ATOM      9  CB  CYS     5      -1.305  -2.018   4.588          0.014
+ATOM     10  CA  ALA     6      -0.766  -6.451   4.609          0.013
+ATOM     11  CB  ALA     6      -0.403  -6.978   4.248          0.116
+ATOM     12  CA  ALA     7       2.399  -6.909   6.639          0.007
+ATOM     13  CB  ALA     7       2.888  -6.968   6.100          0.035
+ATOM     14  CA  ALA     8       0.646  -5.695   9.735          0.012
+ATOM     15  CB  ALA     8       0.593  -5.012   9.898          0.023
+ATOM     16  CA  ALA     9      -2.151  -8.217   9.116          0.063
+ATOM     17  CB  ALA     9      -2.552  -8.252   8.512          0.032
+ATOM     18  CA  ALA    10       0.597 -10.881   9.583          0.021
+ATOM     19  CB  ALA    10       0.987 -10.298   9.492          0.013
+ATOM     20  CA  ALA    11      -0.741 -11.810  13.023          0.027
+ATOM     21  CB  ALA    11      -0.372 -12.213  13.486          0.064
+ATOM     22  CA  ALA    12      -0.995  -8.090  14.054          0.124
+ATOM     23  CB  ALA    12      -0.582  -7.940  13.468          0.084
+ATOM     24  CA  ALA    13      -4.069  -5.794  13.521          0.024
+ATOM     25  CB  ALA    13      -4.187  -5.184  14.018          0.033
+ATOM     26  CA  CYS    14      -4.729  -3.324  10.728          0.050
+ATOM     27  CB  CYS    14      -3.920  -3.627   9.814          0.062
+ATOM     28  CA  ALA    15      -7.426  -0.980   9.415          0.007
+ATOM     29  CB  ALA    15      -7.441  -0.253   9.273          0.002
+ATOM     30  CA  ALA    16      -9.809  -2.532   6.943          0.013
+ATOM     31  CB  ALA    16      -9.481  -3.176   7.309          0.079
+ATOM     32  CA  ALA    17     -12.410  -0.666   4.948          0.056
+ATOM     33  CB  ALA    17     -12.519  -0.104   4.557          0.099
+ATOM     34  CA  GLY    18     -13.862  -3.572   3.005          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  389.77                                       ENERGY    -1.91560E+01
+ATOM      1  CA  GLY     1      -2.578   0.583  -1.359          0.035
+ATOM      2  CA  ALA     2       0.358  -1.452  -0.177          0.013
+ATOM      3  CB  ALA     2       0.562  -0.958   0.316          0.065
+ATOM      4  CA  ALA     3       1.344  -4.836   1.278          0.009
+ATOM      5  CB  ALA     3       1.935  -5.104   0.874          0.101
+ATOM      6  CA  ALA     4       2.729  -2.564   4.058          0.045
+ATOM      7  CB  ALA     4       2.774  -1.730   3.992          0.020
+ATOM      8  CA  CYS     5      -0.710  -2.682   5.567          0.049
+ATOM      9  CB  CYS     5      -0.901  -1.695   4.862          0.024
+ATOM     10  CA  ALA     6      -0.803  -6.358   4.613          0.030
+ATOM     11  CB  ALA     6      -1.232  -6.130   4.054          0.064
+ATOM     12  CA  ALA     7       2.520  -6.868   6.403          0.008
+ATOM     13  CB  ALA     7       3.053  -6.527   6.820          0.045
+ATOM     14  CA  ALA     8       0.808  -5.871   9.666          0.029
+ATOM     15  CB  ALA     8       0.488  -5.210   9.790          0.023
+ATOM     16  CA  ALA     9      -1.958  -8.324   8.900          0.027
+ATOM     17  CB  ALA     9      -2.496  -8.871   8.812          0.027
+ATOM     18  CA  ALA    10       0.393 -11.203   9.664          0.021
+ATOM     19  CB  ALA    10       1.106 -11.258   9.523          0.074
+ATOM     20  CA  ALA    11      -1.358 -11.598  13.023          0.021
+ATOM     21  CB  ALA    11      -1.416 -12.029  13.631          0.052
+ATOM     22  CA  ALA    12      -0.819  -7.970  14.069          0.016
+ATOM     23  CB  ALA    12      -0.225  -7.724  13.536          0.169
+ATOM     24  CA  ALA    13      -4.024  -6.061  13.561          0.005
+ATOM     25  CB  ALA    13      -3.709  -5.852  14.119          0.071
+ATOM     26  CA  CYS    14      -4.543  -3.138  11.230          0.009
+ATOM     27  CB  CYS    14      -3.966  -3.380  10.178          0.035
+ATOM     28  CA  ALA    15      -7.354  -0.994   9.796          0.004
+ATOM     29  CB  ALA    15      -7.277  -0.289   9.618          0.021
+ATOM     30  CA  ALA    16      -9.529  -2.490   7.085          0.014
+ATOM     31  CB  ALA    16      -9.871  -3.029   6.958          0.276
+ATOM     32  CA  ALA    17     -11.783  -0.958   4.389          0.031
+ATOM     33  CB  ALA    17     -11.445  -0.624   3.810          0.078
+ATOM     34  CA  GLY    18     -12.953  -4.354   3.180          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  394.75                                       ENERGY    -1.14232E+01
+ATOM      1  CA  GLY     1      -2.973   0.603  -2.103          0.006
+ATOM      2  CA  ALA     2       0.201  -0.772  -0.519          0.058
+ATOM      3  CB  ALA     2       0.730  -0.640  -0.016          0.068
+ATOM      4  CA  ALA     3       1.045  -4.248   0.944          0.043
+ATOM      5  CB  ALA     3       1.096  -4.937   1.203          0.004
+ATOM      6  CA  ALA     4       2.908  -2.722   3.851          0.006
+ATOM      7  CB  ALA     4       3.260  -2.115   3.988          0.047
+ATOM      8  CA  CYS     5      -0.453  -2.193   5.496          0.023
+ATOM      9  CB  CYS     5      -1.432  -1.581   4.886          0.005
+ATOM     10  CA  ALA     6      -1.167  -5.954   5.036          0.012
+ATOM     11  CB  ALA     6      -1.101  -6.560   4.610          0.023
+ATOM     12  CA  ALA     7       2.179  -6.884   6.598          0.015
+ATOM     13  CB  ALA     7       2.250  -6.444   5.958          0.093
+ATOM     14  CA  ALA     8       0.593  -6.235   9.972          0.003
+ATOM     15  CB  ALA     8       0.258  -5.589  10.189          0.031
+ATOM     16  CA  ALA     9      -2.354  -8.440   9.032          0.019
+ATOM     17  CB  ALA     9      -1.946  -8.252   8.489          0.066
+ATOM     18  CA  ALA    10      -0.050 -11.452   9.443          0.003
+ATOM     19  CB  ALA    10       0.511 -11.639   9.881          0.025
+ATOM     20  CA  ALA    11      -1.423 -11.334  12.978          0.035
+ATOM     21  CB  ALA    11      -1.588 -12.038  13.348          0.040
+ATOM     22  CA  ALA    12      -0.661  -7.879  14.411          0.007
+ATOM     23  CB  ALA    12      -0.204  -7.366  14.165          0.044
+ATOM     24  CA  ALA    13      -3.988  -6.032  13.701          0.004
+ATOM     25  CB  ALA    13      -4.113  -5.503  14.196          0.025
+ATOM     26  CA  CYS    14      -3.793  -2.985  11.274          0.008
+ATOM     27  CB  CYS    14      -3.628  -3.686  10.283          0.010
+ATOM     28  CA  ALA    15      -7.053  -1.393   9.953          0.007
+ATOM     29  CB  ALA    15      -7.288  -0.629  10.126          0.005
+ATOM     30  CA  ALA    16      -8.904  -2.739   6.906          0.027
+ATOM     31  CB  ALA    16      -9.467  -3.207   7.255          0.107
+ATOM     32  CA  ALA    17     -11.124  -1.312   4.139          0.051
+ATOM     33  CB  ALA    17     -10.906  -0.910   3.558          0.113
+ATOM     34  CA  GLY    18     -12.466  -4.624   2.734          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  399.75                                       ENERGY    -2.23998E+01
+ATOM      1  CA  GLY     1      -2.805  -0.071  -2.419          0.000
+ATOM      2  CA  ALA     2       0.365  -0.306  -0.494          0.011
+ATOM      3  CB  ALA     2       0.376   0.242  -0.044          0.205
+ATOM      4  CA  ALA     3       0.509  -3.807   0.931          0.001
+ATOM      5  CB  ALA     3       0.915  -4.264   0.457          0.065
+ATOM      6  CA  ALA     4       2.364  -2.607   4.089          0.021
+ATOM      7  CB  ALA     4       2.736  -2.200   3.695          0.103
+ATOM      8  CA  CYS     5      -0.917  -2.488   5.927          0.006
+ATOM      9  CB  CYS     5      -1.174  -1.916   4.839          0.035
+ATOM     10  CA  ALA     6      -1.312  -6.070   4.708          0.010
+ATOM     11  CB  ALA     6      -1.761  -5.798   4.121          0.029
+ATOM     12  CA  ALA     7       2.062  -6.885   6.208          0.007
+ATOM     13  CB  ALA     7       2.765  -6.612   6.400          0.049
+ATOM     14  CA  ALA     8       0.579  -6.061   9.611          0.008
+ATOM     15  CB  ALA     8       0.726  -5.473  10.063          0.025
+ATOM     16  CA  ALA     9      -2.496  -8.210   8.833          0.016
+ATOM     17  CB  ALA     9      -3.120  -8.085   8.466          0.097
+ATOM     18  CA  ALA    10      -0.401 -11.134  10.107          0.030
+ATOM     19  CB  ALA    10      -0.010 -10.925   9.496          0.149
+ATOM     20  CA  ALA    11      -1.813 -11.645  13.635          0.041
+ATOM     21  CB  ALA    11      -1.639 -12.172  14.120          0.011
+ATOM     22  CA  ALA    12      -0.792  -8.052  14.521          0.005
+ATOM     23  CB  ALA    12      -0.047  -7.875  14.612          0.029
+ATOM     24  CA  ALA    13      -3.838  -5.939  13.848          0.041
+ATOM     25  CB  ALA    13      -3.754  -5.633  14.503          0.041
+ATOM     26  CA  CYS    14      -3.867  -3.100  11.359          0.006
+ATOM     27  CB  CYS    14      -3.594  -3.546  10.292          0.006
+ATOM     28  CA  ALA    15      -6.867  -1.475   9.683          0.130
+ATOM     29  CB  ALA    15      -6.700  -0.819   9.707          0.022
+ATOM     30  CA  ALA    16      -8.241  -3.338   6.639          0.104
+ATOM     31  CB  ALA    16      -8.661  -3.922   6.704          0.074
+ATOM     32  CA  ALA    17     -10.722  -1.473   4.467          0.005
+ATOM     33  CB  ALA    17     -10.461  -0.904   4.054          0.026
+ATOM     34  CA  GLY    18     -11.398  -4.702   2.548          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  404.75                                       ENERGY    -1.60070E+01
+ATOM      1  CA  GLY     1      -2.292  -0.116  -3.185          0.009
+ATOM      2  CA  ALA     2      -0.061   0.302  -0.147          0.042
+ATOM      3  CB  ALA     2      -0.440   0.222   0.458          0.026
+ATOM      4  CA  ALA     3       0.698  -3.287   0.622          0.035
+ATOM      5  CB  ALA     3       0.830  -3.985   0.461          0.041
+ATOM      6  CA  ALA     4       2.309  -2.315   3.916          0.006
+ATOM      7  CB  ALA     4       2.723  -1.714   4.297          0.052
+ATOM      8  CA  CYS     5      -1.008  -2.590   5.777          0.053
+ATOM      9  CB  CYS     5      -1.605  -2.262   4.762          0.082
+ATOM     10  CA  ALA     6      -1.736  -6.149   4.556          0.008
+ATOM     11  CB  ALA     6      -1.525  -6.704   4.060          0.030
+ATOM     12  CA  ALA     7       1.439  -7.335   6.236          0.023
+ATOM     13  CB  ALA     7       1.952  -7.310   5.683          0.048
+ATOM     14  CA  ALA     8       0.394  -5.704   9.537          0.007
+ATOM     15  CB  ALA     8       0.631  -5.068   9.927          0.090
+ATOM     16  CA  ALA     9      -2.885  -7.589   9.516          0.010
+ATOM     17  CB  ALA     9      -2.778  -7.685   8.763          0.022
+ATOM     18  CA  ALA    10      -0.997 -10.836  10.159          0.024
+ATOM     19  CB  ALA    10      -0.383 -10.846  10.533          0.038
+ATOM     20  CA  ALA    11      -1.963 -11.728  13.695          0.051
+ATOM     21  CB  ALA    11      -1.787 -12.448  13.841          0.011
+ATOM     22  CA  ALA    12      -0.500  -8.330  14.515          0.020
+ATOM     23  CB  ALA    12      -0.301  -8.061  13.857          0.063
+ATOM     24  CA  ALA    13      -3.357  -5.828  14.286          0.021
+ATOM     25  CB  ALA    13      -3.634  -5.718  15.046          0.076
+ATOM     26  CA  CYS    14      -3.642  -3.105  11.598          0.036
+ATOM     27  CB  CYS    14      -3.436  -3.505  10.452          0.009
+ATOM     28  CA  ALA    15      -6.404  -1.503   9.452          0.024
+ATOM     29  CB  ALA    15      -6.527  -0.937   8.984          0.041
+ATOM     30  CA  ALA    16      -7.698  -3.549   6.610          0.009
+ATOM     31  CB  ALA    16      -7.210  -4.141   6.742          0.071
+ATOM     32  CA  ALA    17     -10.601  -2.103   4.649          0.014
+ATOM     33  CB  ALA    17     -10.457  -1.309   4.374          0.040
+ATOM     34  CA  GLY    18     -10.484  -4.295   1.548          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  409.75                                       ENERGY    -2.45534E+01
+ATOM      1  CA  GLY     1      -1.360   0.701  -3.435          0.030
+ATOM      2  CA  ALA     2      -0.275   0.251   0.177          0.013
+ATOM      3  CB  ALA     2      -1.035   0.210   0.158          0.128
+ATOM      4  CA  ALA     3       0.334  -3.431   0.748          0.019
+ATOM      5  CB  ALA     3       0.855  -3.297   0.132          0.101
+ATOM      6  CA  ALA     4       1.899  -2.849   4.098          0.031
+ATOM      7  CB  ALA     4       2.548  -2.492   3.956          0.054
+ATOM      8  CA  CYS     5      -1.482  -2.871   5.903          0.030
+ATOM      9  CB  CYS     5      -2.388  -2.373   5.226          0.033
+ATOM     10  CA  ALA     6      -1.920  -6.487   4.930          0.027
+ATOM     11  CB  ALA     6      -2.248  -6.276   4.298          0.021
+ATOM     12  CA  ALA     7       1.589  -7.163   6.257          0.004
+ATOM     13  CB  ALA     7       2.207  -6.737   5.968          0.094
+ATOM     14  CA  ALA     8       0.287  -6.024   9.646          0.033
+ATOM     15  CB  ALA     8       0.842  -5.464   9.741          0.032
+ATOM     16  CA  ALA     9      -2.833  -8.112   9.254          0.018
+ATOM     17  CB  ALA     9      -3.526  -8.006   8.969          0.047
+ATOM     18  CA  ALA    10      -0.765 -11.233   9.826          0.027
+ATOM     19  CB  ALA    10      -0.145 -11.135   9.493          0.042
+ATOM     20  CA  ALA    11      -2.342 -11.440  13.281          0.009
+ATOM     21  CB  ALA    11      -2.532 -11.506  13.992          0.077
+ATOM     22  CA  ALA    12      -0.648  -8.157  14.227          0.036
+ATOM     23  CB  ALA    12       0.130  -7.991  14.012          0.102
+ATOM     24  CA  ALA    13      -2.983  -5.133  14.496          0.018
+ATOM     25  CB  ALA    13      -3.336  -4.922  15.141          0.101
+ATOM     26  CA  CYS    14      -3.473  -2.722  11.651          0.007
+ATOM     27  CB  CYS    14      -3.071  -3.338  10.584          0.013
+ATOM     28  CA  ALA    15      -6.542  -1.518   9.739          0.006
+ATOM     29  CB  ALA    15      -6.950  -0.889   9.964          0.076
+ATOM     30  CA  ALA    16      -6.766  -3.462   6.445          0.052
+ATOM     31  CB  ALA    16      -6.616  -4.198   6.193          0.054
+ATOM     32  CA  ALA    17      -9.959  -2.846   4.481          0.013
+ATOM     33  CB  ALA    17     -10.396  -2.330   4.650          0.148
+ATOM     34  CA  GLY    18      -9.859  -3.859   0.867          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  414.74                                       ENERGY    -2.34772E+01
+ATOM      1  CA  GLY     1      -0.299   1.481  -2.911          0.087
+ATOM      2  CA  ALA     2      -0.450  -0.054   0.565          0.007
+ATOM      3  CB  ALA     2      -0.827   0.017   1.256          0.032
+ATOM      4  CA  ALA     3      -0.413  -3.899   0.673          0.057
+ATOM      5  CB  ALA     3      -0.043  -4.431   0.418          0.066
+ATOM      6  CA  ALA     4       1.524  -2.677   3.734          0.013
+ATOM      7  CB  ALA     4       1.734  -2.326   4.332          0.016
+ATOM      8  CA  CYS     5      -1.716  -2.846   5.751          0.004
+ATOM      9  CB  CYS     5      -2.491  -1.989   5.479          0.025
+ATOM     10  CA  ALA     6      -2.169  -6.567   5.153          0.029
+ATOM     11  CB  ALA     6      -2.230  -7.106   4.604          0.016
+ATOM     12  CA  ALA     7       1.471  -7.231   5.948          0.040
+ATOM     13  CB  ALA     7       2.084  -6.975   5.618          0.120
+ATOM     14  CA  ALA     8       0.757  -6.071   9.509          0.029
+ATOM     15  CB  ALA     8       0.491  -5.786  10.108          0.008
+ATOM     16  CA  ALA     9      -2.649  -7.738   9.348          0.011
+ATOM     17  CB  ALA     9      -2.689  -7.893   8.602          0.009
+ATOM     18  CA  ALA    10      -1.206 -11.259   9.600          0.014
+ATOM     19  CB  ALA    10      -0.598 -11.353   9.213          0.035
+ATOM     20  CA  ALA    11      -2.395 -11.411  13.202          0.007
+ATOM     21  CB  ALA    11      -2.185 -11.500  13.900          0.164
+ATOM     22  CA  ALA    12      -0.776  -8.019  13.929          0.018
+ATOM     23  CB  ALA    12      -0.232  -7.998  13.412          0.126
+ATOM     24  CA  ALA    13      -2.592  -4.693  14.266          0.038
+ATOM     25  CB  ALA    13      -2.335  -4.407  14.986          0.115
+ATOM     26  CA  CYS    14      -3.492  -2.184  11.661          0.011
+ATOM     27  CB  CYS    14      -3.046  -2.798  10.690          0.040
+ATOM     28  CA  ALA    15      -6.944  -2.178  10.197          0.009
+ATOM     29  CB  ALA    15      -7.196  -1.529  10.094          0.160
+ATOM     30  CA  ALA    16      -6.536  -2.985   6.493          0.009
+ATOM     31  CB  ALA    16      -6.208  -3.548   6.709          0.028
+ATOM     32  CA  ALA    17      -9.479  -3.441   4.073          0.032
+ATOM     33  CB  ALA    17     -10.115  -3.233   4.433          0.074
+ATOM     34  CA  GLY    18      -9.240  -3.709   0.225          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  419.74                                       ENERGY    -1.88903E+01
+ATOM      1  CA  GLY     1      -0.193   1.742  -2.252          0.010
+ATOM      2  CA  ALA     2      -0.513  -0.284   0.925          0.003
+ATOM      3  CB  ALA     2      -0.573   0.065   1.589          0.035
+ATOM      4  CA  ALA     3      -0.617  -4.049   1.412          0.016
+ATOM      5  CB  ALA     3      -0.655  -4.547   0.938          0.010
+ATOM      6  CA  ALA     4       1.733  -2.936   4.224          0.004
+ATOM      7  CB  ALA     4       2.121  -2.893   3.558          0.086
+ATOM      8  CA  CYS     5      -1.586  -2.935   6.013          0.024
+ATOM      9  CB  CYS     5      -2.291  -2.034   5.650          0.012
+ATOM     10  CA  ALA     6      -2.363  -6.442   4.803          0.025
+ATOM     11  CB  ALA     6      -2.551  -6.475   4.087          0.250
+ATOM     12  CA  ALA     7       1.076  -7.594   5.758          0.012
+ATOM     13  CB  ALA     7       1.555  -7.043   5.538          0.145
+ATOM     14  CA  ALA     8       0.463  -5.956   9.188          0.012
+ATOM     15  CB  ALA     8       0.649  -5.257   9.401          0.072
+ATOM     16  CA  ALA     9      -2.924  -7.618   9.260          0.008
+ATOM     17  CB  ALA     9      -3.551  -7.271   9.047          0.030
+ATOM     18  CA  ALA    10      -1.198 -10.962   9.511          0.020
+ATOM     19  CB  ALA    10      -0.555 -11.331   9.524          0.054
+ATOM     20  CA  ALA    11      -2.265 -11.235  13.147          0.070
+ATOM     21  CB  ALA    11      -2.057 -11.966  13.147          0.078
+ATOM     22  CA  ALA    12      -0.478  -7.998  13.986          0.049
+ATOM     23  CB  ALA    12       0.241  -7.657  13.805          0.078
+ATOM     24  CA  ALA    13      -2.150  -4.654  14.269          0.027
+ATOM     25  CB  ALA    13      -1.947  -4.059  14.688          0.039
+ATOM     26  CA  CYS    14      -3.357  -2.277  11.597          0.065
+ATOM     27  CB  CYS    14      -3.046  -2.792  10.522          0.021
+ATOM     28  CA  ALA    15      -6.960  -2.198  10.448          0.019
+ATOM     29  CB  ALA    15      -7.571  -1.836  10.133          0.046
+ATOM     30  CA  ALA    16      -7.101  -2.819   6.692          0.008
+ATOM     31  CB  ALA    16      -6.635  -3.163   6.353          0.008
+ATOM     32  CA  ALA    17      -9.347  -3.949   3.800          0.010
+ATOM     33  CB  ALA    17      -9.719  -3.438   3.722          0.055
+ATOM     34  CA  GLY    18      -8.337  -4.063   0.134          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  424.74                                       ENERGY    -2.10350E+01
+ATOM      1  CA  GLY     1      -1.370   1.092  -1.723          0.001
+ATOM      2  CA  ALA     2       0.319   0.079   1.605          0.023
+ATOM      3  CB  ALA     2      -0.282   0.371   1.967          0.195
+ATOM      4  CA  ALA     3      -0.481  -3.594   0.898          0.018
+ATOM      5  CB  ALA     3      -0.494  -4.166   0.451          0.098
+ATOM      6  CA  ALA     4       1.683  -3.655   4.023          0.019
+ATOM      7  CB  ALA     4       2.137  -3.638   4.611          0.072
+ATOM      8  CA  CYS     5      -1.443  -2.713   5.961          0.019
+ATOM      9  CB  CYS     5      -1.980  -1.581   5.665          0.074
+ATOM     10  CA  ALA     6      -2.982  -6.169   5.297          0.041
+ATOM     11  CB  ALA     6      -3.405  -6.293   4.697          0.005
+ATOM     12  CA  ALA     7       0.390  -7.790   6.030          0.007
+ATOM     13  CB  ALA     7       0.991  -8.138   5.842          0.123
+ATOM     14  CA  ALA     8       0.552  -6.006   9.309          0.033
+ATOM     15  CB  ALA     8       0.658  -5.265   9.197          0.050
+ATOM     16  CA  ALA     9      -3.035  -7.268   9.486          0.052
+ATOM     17  CB  ALA     9      -3.563  -7.236   8.941          0.016
+ATOM     18  CA  ALA    10      -1.379 -10.686   9.394          0.031
+ATOM     19  CB  ALA    10      -0.898 -10.448   8.878          0.016
+ATOM     20  CA  ALA    11      -1.874 -10.789  13.202          0.042
+ATOM     21  CB  ALA    11      -2.095 -11.423  13.643          0.039
+ATOM     22  CA  ALA    12       0.345  -7.690  13.481          0.036
+ATOM     23  CB  ALA    12       0.914  -7.757  12.971          0.086
+ATOM     24  CA  ALA    13      -2.250  -4.914  13.964          0.017
+ATOM     25  CB  ALA    13      -2.252  -4.596  14.713          0.043
+ATOM     26  CA  CYS    14      -3.429  -2.305  11.468          0.019
+ATOM     27  CB  CYS    14      -3.206  -2.865  10.294          0.008
+ATOM     28  CA  ALA    15      -6.892  -2.445   9.988          0.028
+ATOM     29  CB  ALA    15      -7.532  -2.050  10.277          0.205
+ATOM     30  CA  ALA    16      -6.981  -3.074   6.303          0.018
+ATOM     31  CB  ALA    16      -6.559  -3.696   6.406          0.031
+ATOM     32  CA  ALA    17      -9.580  -3.882   3.692          0.015
+ATOM     33  CB  ALA    17      -9.836  -3.202   3.438          0.042
+ATOM     34  CA  GLY    18      -7.313  -4.735   0.689          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  429.74                                       ENERGY    -1.80735E+01
+ATOM      1  CA  GLY     1      -2.004   0.948  -1.873          0.020
+ATOM      2  CA  ALA     2       0.314   0.518   1.088          0.027
+ATOM      3  CB  ALA     2      -0.035   0.363   1.750          0.053
+ATOM      4  CA  ALA     3      -0.302  -3.194   1.048          0.050
+ATOM      5  CB  ALA     3       0.254  -3.146   0.664          0.005
+ATOM      6  CA  ALA     4       1.946  -3.598   3.990          0.026
+ATOM      7  CB  ALA     4       2.642  -3.569   4.228          0.155
+ATOM      8  CA  CYS     5      -1.083  -2.815   6.175          0.013
+ATOM      9  CB  CYS     5      -2.116  -2.142   5.878          0.018
+ATOM     10  CA  ALA     6      -2.751  -5.911   4.731          0.007
+ATOM     11  CB  ALA     6      -2.814  -6.172   4.045          0.082
+ATOM     12  CA  ALA     7       0.075  -8.229   5.776          0.033
+ATOM     13  CB  ALA     7       0.341  -7.744   5.308          0.017
+ATOM     14  CA  ALA     8       0.332  -6.161   8.963          0.052
+ATOM     15  CB  ALA     8       0.272  -5.532   9.327          0.069
+ATOM     16  CA  ALA     9      -3.378  -6.980   9.548          0.044
+ATOM     17  CB  ALA     9      -4.105  -6.944   9.369          0.131
+ATOM     18  CA  ALA    10      -2.491 -10.654   9.998          0.010
+ATOM     19  CB  ALA    10      -2.043 -11.250   9.725          0.059
+ATOM     20  CA  ALA    11      -1.395 -10.599  13.626          0.006
+ATOM     21  CB  ALA    11      -0.852 -10.905  14.174          0.024
+ATOM     22  CA  ALA    12       0.738  -7.507  13.100          0.006
+ATOM     23  CB  ALA    12       0.939  -7.984  12.513          0.052
+ATOM     24  CA  ALA    13      -2.299  -5.259  13.952          0.031
+ATOM     25  CB  ALA    13      -2.056  -5.314  14.700          0.040
+ATOM     26  CA  CYS    14      -3.737  -2.358  11.866          0.049
+ATOM     27  CB  CYS    14      -3.355  -2.717  10.707          0.001
+ATOM     28  CA  ALA    15      -6.840  -2.218   9.717          0.060
+ATOM     29  CB  ALA    15      -7.195  -1.549   9.865          0.051
+ATOM     30  CA  ALA    16      -6.949  -3.702   6.236          0.031
+ATOM     31  CB  ALA    16      -6.313  -4.028   6.488          0.043
+ATOM     32  CA  ALA    17      -9.439  -3.508   3.438          0.013
+ATOM     33  CB  ALA    17      -9.928  -3.006   3.394          0.053
+ATOM     34  CA  GLY    18      -6.984  -5.381   1.209          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  434.74                                       ENERGY    -2.11324E+01
+ATOM      1  CA  GLY     1      -1.685   1.865  -2.244          0.027
+ATOM      2  CA  ALA     2      -0.783   0.399   1.100          0.010
+ATOM      3  CB  ALA     2      -1.102   0.727   1.617          0.166
+ATOM      4  CA  ALA     3       0.294  -3.234   0.799          0.007
+ATOM      5  CB  ALA     3       0.350  -3.473   0.139          0.007
+ATOM      6  CA  ALA     4       2.462  -2.934   3.885          0.033
+ATOM      7  CB  ALA     4       2.879  -2.315   4.000          0.014
+ATOM      8  CA  CYS     5      -0.741  -2.741   5.807          0.002
+ATOM      9  CB  CYS     5      -1.525  -1.929   5.324          0.043
+ATOM     10  CA  ALA     6      -2.365  -5.759   4.167          0.009
+ATOM     11  CB  ALA     6      -2.884  -5.718   3.640          0.098
+ATOM     12  CA  ALA     7      -0.155  -8.405   5.735          0.011
+ATOM     13  CB  ALA     7       0.553  -8.510   5.544          0.036
+ATOM     14  CA  ALA     8      -0.360  -6.738   9.097          0.017
+ATOM     15  CB  ALA     8      -0.115  -6.096   9.239          0.018
+ATOM     16  CA  ALA     9      -3.861  -7.884   9.542          0.009
+ATOM     17  CB  ALA     9      -4.465  -7.575   9.156          0.238
+ATOM     18  CA  ALA    10      -2.559 -11.414  10.376          0.011
+ATOM     19  CB  ALA    10      -2.373 -11.961   9.811          0.036
+ATOM     20  CA  ALA    11      -1.487 -10.490  13.936          0.029
+ATOM     21  CB  ALA    11      -1.211 -10.991  14.412          0.059
+ATOM     22  CA  ALA    12       0.861  -7.521  13.830          0.056
+ATOM     23  CB  ALA    12       1.309  -7.154  13.363          0.098
+ATOM     24  CA  ALA    13      -1.932  -4.942  14.409          0.013
+ATOM     25  CB  ALA    13      -2.185  -4.491  14.918          0.017
+ATOM     26  CA  CYS    14      -3.493  -2.806  11.696          0.006
+ATOM     27  CB  CYS    14      -3.337  -3.251  10.583          0.024
+ATOM     28  CA  ALA    15      -6.870  -1.800  10.328          0.001
+ATOM     29  CB  ALA    15      -7.323  -1.222  10.431          0.059
+ATOM     30  CA  ALA    16      -6.883  -3.012   6.717          0.010
+ATOM     31  CB  ALA    16      -6.186  -3.253   6.493          0.206
+ATOM     32  CA  ALA    17      -8.928  -3.822   3.548          0.005
+ATOM     33  CB  ALA    17      -9.296  -3.419   3.148          0.058
+ATOM     34  CA  GLY    18      -7.958  -5.689   0.337          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  439.74                                       ENERGY    -2.50416E+01
+ATOM      1  CA  GLY     1      -1.726   2.367  -2.697          0.003
+ATOM      2  CA  ALA     2      -0.967   0.550   0.642          0.013
+ATOM      3  CB  ALA     2      -1.256   0.497   1.358          0.098
+ATOM      4  CA  ALA     3      -0.230  -3.127   0.510          0.031
+ATOM      5  CB  ALA     3       0.334  -3.241   0.094          0.015
+ATOM      6  CA  ALA     4       2.236  -3.207   3.392          0.026
+ATOM      7  CB  ALA     4       2.720  -2.644   3.550          0.102
+ATOM      8  CA  CYS     5      -0.570  -2.972   5.953          0.028
+ATOM      9  CB  CYS     5      -1.139  -1.923   6.387          0.026
+ATOM     10  CA  ALA     6      -2.477  -5.823   4.233          0.019
+ATOM     11  CB  ALA     6      -2.156  -5.652   3.560          0.091
+ATOM     12  CA  ALA     7       0.122  -8.257   5.446          0.038
+ATOM     13  CB  ALA     7       0.831  -8.199   5.407          0.070
+ATOM     14  CA  ALA     8      -0.453  -7.018   9.001          0.107
+ATOM     15  CB  ALA     8      -0.142  -6.343   9.089          0.235
+ATOM     16  CA  ALA     9      -3.898  -8.534   8.989          0.031
+ATOM     17  CB  ALA     9      -4.427  -8.636   8.467          0.072
+ATOM     18  CA  ALA    10      -2.228 -11.634  10.343          0.012
+ATOM     19  CB  ALA    10      -1.679 -11.937  10.035          0.037
+ATOM     20  CA  ALA    11      -1.943 -10.061  13.824          0.031
+ATOM     21  CB  ALA    11      -2.014 -10.446  14.425          0.153
+ATOM     22  CA  ALA    12       0.502  -7.382  14.929          0.017
+ATOM     23  CB  ALA    12       1.119  -7.227  14.535          0.022
+ATOM     24  CA  ALA    13      -2.094  -4.656  14.430          0.002
+ATOM     25  CB  ALA    13      -1.856  -4.513  15.147          0.040
+ATOM     26  CA  CYS    14      -3.429  -2.589  11.584          0.021
+ATOM     27  CB  CYS    14      -3.312  -3.129  10.486          0.015
+ATOM     28  CA  ALA    15      -6.941  -2.060  10.168          0.024
+ATOM     29  CB  ALA    15      -7.251  -1.605  10.695          0.016
+ATOM     30  CA  ALA    16      -6.304  -2.736   6.453          0.007
+ATOM     31  CB  ALA    16      -5.826  -3.038   5.999          0.130
+ATOM     32  CA  ALA    17      -8.860  -3.936   3.871          0.034
+ATOM     33  CB  ALA    17      -9.488  -3.471   4.048          0.068
+ATOM     34  CA  GLY    18      -8.465  -5.198   0.251          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  444.74                                       ENERGY    -2.52207E+01
+ATOM      1  CA  GLY     1      -2.347   2.036  -2.337          0.008
+ATOM      2  CA  ALA     2      -0.463   0.511   0.720          0.002
+ATOM      3  CB  ALA     2      -0.518   0.736   1.456          0.079
+ATOM      4  CA  ALA     3      -0.442  -3.276   0.671          0.021
+ATOM      5  CB  ALA     3      -0.947  -3.613   0.274          0.087
+ATOM      6  CA  ALA     4       2.165  -3.186   3.409          0.019
+ATOM      7  CB  ALA     4       2.437  -2.461   3.353          0.080
+ATOM      8  CA  CYS     5      -0.554  -3.078   6.053          0.026
+ATOM      9  CB  CYS     5      -1.210  -2.012   6.182          0.030
+ATOM     10  CA  ALA     6      -2.270  -5.872   4.238          0.028
+ATOM     11  CB  ALA     6      -2.444  -6.065   3.572          0.074
+ATOM     12  CA  ALA     7       0.480  -8.258   5.077          0.032
+ATOM     13  CB  ALA     7       1.043  -8.115   4.695          0.096
+ATOM     14  CA  ALA     8       0.485  -7.208   8.744          0.153
+ATOM     15  CB  ALA     8       0.845  -6.734   9.183          0.093
+ATOM     16  CA  ALA     9      -3.096  -8.425   8.710          0.044
+ATOM     17  CB  ALA     9      -3.171  -8.492   7.993          0.147
+ATOM     18  CA  ALA    10      -2.014 -11.595  10.544          0.004
+ATOM     19  CB  ALA    10      -1.352 -11.934  10.564          0.061
+ATOM     20  CA  ALA    11      -2.690  -9.942  13.963          0.071
+ATOM     21  CB  ALA    11      -2.871 -10.328  14.619          0.062
+ATOM     22  CA  ALA    12      -0.022  -7.398  14.776          0.033
+ATOM     23  CB  ALA    12       0.489  -7.199  14.316          0.134
+ATOM     24  CA  ALA    13      -2.568  -4.560  14.693          0.004
+ATOM     25  CB  ALA    13      -2.619  -4.062  15.216          0.071
+ATOM     26  CA  CYS    14      -3.255  -2.445  11.660          0.006
+ATOM     27  CB  CYS    14      -3.050  -3.229  10.711          0.034
+ATOM     28  CA  ALA    15      -6.654  -2.393   9.880          0.007
+ATOM     29  CB  ALA    15      -7.229  -1.892   9.791          0.023
+ATOM     30  CA  ALA    16      -6.231  -2.800   6.113          0.033
+ATOM     31  CB  ALA    16      -5.522  -2.921   5.937          0.006
+ATOM     32  CA  ALA    17      -9.452  -3.975   4.423          0.018
+ATOM     33  CB  ALA    17     -10.092  -3.732   4.530          0.112
+ATOM     34  CA  GLY    18      -8.639  -3.720   0.691          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  449.74                                       ENERGY    -1.67315E+01
+ATOM      1  CA  GLY     1      -3.140   1.662  -1.863          0.044
+ATOM      2  CA  ALA     2      -0.582   0.577   0.721          0.012
+ATOM      3  CB  ALA     2      -0.284   0.982   1.250          0.046
+ATOM      4  CA  ALA     3      -0.777  -3.241   0.873          0.073
+ATOM      5  CB  ALA     3      -0.298  -3.572   0.380          0.031
+ATOM      6  CA  ALA     4       1.933  -3.572   3.524          0.027
+ATOM      7  CB  ALA     4       2.632  -3.523   3.365          0.085
+ATOM      8  CA  CYS     5      -0.756  -3.103   6.187          0.001
+ATOM      9  CB  CYS     5      -0.789  -1.937   5.756          0.006
+ATOM     10  CA  ALA     6      -2.355  -6.314   4.943          0.006
+ATOM     11  CB  ALA     6      -2.651  -6.107   4.234          0.204
+ATOM     12  CA  ALA     7       1.173  -7.952   4.595          0.015
+ATOM     13  CB  ALA     7       1.600  -7.710   4.047          0.005
+ATOM     14  CA  ALA     8       1.906  -7.767   8.292          0.043
+ATOM     15  CB  ALA     8       1.839  -7.593   9.003          0.099
+ATOM     16  CA  ALA     9      -1.870  -7.750   9.100          0.037
+ATOM     17  CB  ALA     9      -2.499  -7.997   8.777          0.082
+ATOM     18  CA  ALA    10      -1.802 -11.155  10.748          0.012
+ATOM     19  CB  ALA    10      -1.078 -11.549  10.916          0.038
+ATOM     20  CA  ALA    11      -3.425 -10.035  13.983          0.040
+ATOM     21  CB  ALA    11      -3.736 -10.323  14.589          0.016
+ATOM     22  CA  ALA    12      -0.714  -7.307  14.115          0.014
+ATOM     23  CB  ALA    12      -0.375  -7.001  13.462          0.053
+ATOM     24  CA  ALA    13      -3.141  -4.563  14.868          0.003
+ATOM     25  CB  ALA    13      -3.205  -4.134  15.407          0.034
+ATOM     26  CA  CYS    14      -3.145  -2.640  11.562          0.018
+ATOM     27  CB  CYS    14      -2.651  -3.306  10.627          0.003
+ATOM     28  CA  ALA    15      -6.388  -2.335   9.620          0.005
+ATOM     29  CB  ALA    15      -6.907  -1.944   9.999          0.017
+ATOM     30  CA  ALA    16      -6.758  -3.221   5.915          0.033
+ATOM     31  CB  ALA    16      -6.164  -3.676   5.714          0.045
+ATOM     32  CA  ALA    17     -10.249  -3.663   4.329          0.026
+ATOM     33  CB  ALA    17     -10.612  -3.457   4.989          0.168
+ATOM     34  CA  GLY    18      -8.929  -2.546   0.925          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  454.74                                       ENERGY    -9.16193E+00
+ATOM      1  CA  GLY     1      -3.167   1.517  -1.089          0.011
+ATOM      2  CA  ALA     2      -0.499   0.169   1.091          0.034
+ATOM      3  CB  ALA     2      -0.661   0.209   1.791          0.050
+ATOM      4  CA  ALA     3      -0.567  -3.595   0.762          0.006
+ATOM      5  CB  ALA     3      -0.803  -4.068   0.156          0.030
+ATOM      6  CA  ALA     4       2.420  -3.723   3.082          0.002
+ATOM      7  CB  ALA     4       2.673  -2.964   3.138          0.068
+ATOM      8  CA  CYS     5       0.267  -2.737   6.034          0.018
+ATOM      9  CB  CYS     5      -0.848  -2.279   5.660          0.010
+ATOM     10  CA  ALA     6      -1.845  -5.860   5.566          0.027
+ATOM     11  CB  ALA     6      -2.028  -6.541   5.315          0.177
+ATOM     12  CA  ALA     7       1.177  -7.979   4.703          0.007
+ATOM     13  CB  ALA     7       1.730  -7.795   4.276          0.049
+ATOM     14  CA  ALA     8       2.048  -7.841   8.342          0.013
+ATOM     15  CB  ALA     8       2.340  -7.243   7.916          0.047
+ATOM     16  CA  ALA     9      -1.672  -7.749   9.318          0.014
+ATOM     17  CB  ALA     9      -2.306  -7.847   8.961          0.073
+ATOM     18  CA  ALA    10      -1.338 -11.292  10.704          0.012
+ATOM     19  CB  ALA    10      -0.731 -11.686  10.637          0.034
+ATOM     20  CA  ALA    11      -3.554 -10.019  13.534          0.013
+ATOM     21  CB  ALA    11      -3.824 -10.514  14.218          0.043
+ATOM     22  CA  ALA    12      -1.172  -7.183  14.173          0.009
+ATOM     23  CB  ALA    12      -0.728  -7.393  13.677          0.020
+ATOM     24  CA  ALA    13      -3.504  -4.215  14.765          0.001
+ATOM     25  CB  ALA    13      -3.770  -3.969  15.383          0.061
+ATOM     26  CA  CYS    14      -3.070  -2.446  11.372          0.000
+ATOM     27  CB  CYS    14      -2.401  -3.045  10.521          0.011
+ATOM     28  CA  ALA    15      -6.340  -2.677   9.465          0.025
+ATOM     29  CB  ALA    15      -6.857  -2.156   9.575          0.030
+ATOM     30  CA  ALA    16      -7.263  -3.493   5.867          0.052
+ATOM     31  CB  ALA    16      -6.792  -3.906   5.617          0.054
+ATOM     32  CA  ALA    17     -10.768  -3.184   4.606          0.028
+ATOM     33  CB  ALA    17     -11.352  -2.759   4.486          0.036
+ATOM     34  CA  GLY    18      -9.675  -1.719   1.255          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  459.74                                       ENERGY    -1.60022E+01
+ATOM      1  CA  GLY     1      -3.623   1.818  -0.665          0.010
+ATOM      2  CA  ALA     2      -0.864  -0.166   1.085          0.017
+ATOM      3  CB  ALA     2      -0.970   0.085   1.802          0.069
+ATOM      4  CA  ALA     3      -0.497  -3.965   0.987          0.091
+ATOM      5  CB  ALA     3      -0.595  -4.299   0.430          0.014
+ATOM      6  CA  ALA     4       2.622  -3.873   3.109          0.055
+ATOM      7  CB  ALA     4       3.187  -3.821   2.678          0.022
+ATOM      8  CA  CYS     5       0.396  -3.352   6.141          0.021
+ATOM      9  CB  CYS     5      -0.404  -2.411   6.038          0.034
+ATOM     10  CA  ALA     6      -1.657  -6.152   4.716          0.009
+ATOM     11  CB  ALA     6      -2.130  -5.679   4.665          0.006
+ATOM     12  CA  ALA     7       1.465  -8.247   5.049          0.013
+ATOM     13  CB  ALA     7       1.820  -8.025   4.448          0.047
+ATOM     14  CA  ALA     8       2.155  -7.122   8.585          0.013
+ATOM     15  CB  ALA     8       2.505  -6.975   9.165          0.068
+ATOM     16  CA  ALA     9      -1.534  -7.435   9.450          0.033
+ATOM     17  CB  ALA     9      -2.149  -7.578   9.129          0.058
+ATOM     18  CA  ALA    10      -0.941 -11.071  10.477          0.119
+ATOM     19  CB  ALA    10      -0.188 -11.174  10.297          0.008
+ATOM     20  CA  ALA    11      -3.166 -11.093  13.630          0.011
+ATOM     21  CB  ALA    11      -3.143 -11.558  14.208          0.082
+ATOM     22  CA  ALA    12      -1.917  -7.595  14.438          0.009
+ATOM     23  CB  ALA    12      -1.425  -7.145  13.981          0.013
+ATOM     24  CA  ALA    13      -3.275  -4.020  14.570          0.015
+ATOM     25  CB  ALA    13      -3.139  -3.505  14.998          0.032
+ATOM     26  CA  CYS    14      -3.438  -2.358  11.129          0.020
+ATOM     27  CB  CYS    14      -2.606  -2.917  10.323          0.014
+ATOM     28  CA  ALA    15      -6.651  -2.567   9.137          0.003
+ATOM     29  CB  ALA    15      -6.964  -1.944   9.302          0.055
+ATOM     30  CA  ALA    16      -7.517  -3.214   5.499          0.031
+ATOM     31  CB  ALA    16      -7.131  -3.851   5.315          0.036
+ATOM     32  CA  ALA    17     -11.145  -2.657   4.591          0.012
+ATOM     33  CB  ALA    17     -11.501  -2.449   5.112          0.025
+ATOM     34  CA  GLY    18     -10.289  -1.287   1.189          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  464.69                                       ENERGY    -1.84380E+01
+ATOM      1  CA  GLY     1      -3.886   1.372  -0.262          0.013
+ATOM      2  CA  ALA     2      -0.951  -0.388   1.388          0.053
+ATOM      3  CB  ALA     2      -0.465  -0.474   1.876          0.077
+ATOM      4  CA  ALA     3      -0.523  -4.095   0.984          0.016
+ATOM      5  CB  ALA     3      -0.315  -4.516   0.398          0.053
+ATOM      6  CA  ALA     4       2.662  -4.010   3.045          0.003
+ATOM      7  CB  ALA     4       3.113  -3.455   3.164          0.016
+ATOM      8  CA  CYS     5       0.433  -3.070   5.920          0.004
+ATOM      9  CB  CYS     5       0.197  -1.856   6.231          0.013
+ATOM     10  CA  ALA     6      -1.665  -6.146   4.898          0.019
+ATOM     11  CB  ALA     6      -1.886  -6.840   4.602          0.045
+ATOM     12  CA  ALA     7       1.255  -8.459   5.626          0.071
+ATOM     13  CB  ALA     7       1.597  -8.825   5.181          0.018
+ATOM     14  CA  ALA     8       1.645  -6.642   8.900          0.037
+ATOM     15  CB  ALA     8       1.678  -5.930   8.813          0.049
+ATOM     16  CA  ALA     9      -1.824  -7.865   9.931          0.006
+ATOM     17  CB  ALA     9      -2.215  -7.603   9.387          0.007
+ATOM     18  CA  ALA    10      -0.436 -11.387  10.423          0.015
+ATOM     19  CB  ALA    10       0.252 -11.365  10.375          0.012
+ATOM     20  CA  ALA    11      -2.604 -11.229  13.562          0.030
+ATOM     21  CB  ALA    11      -2.402 -11.977  13.660          0.007
+ATOM     22  CA  ALA    12      -1.550  -7.606  13.975          0.055
+ATOM     23  CB  ALA    12      -0.948  -7.658  13.634          0.256
+ATOM     24  CA  ALA    13      -3.346  -4.239  14.111          0.023
+ATOM     25  CB  ALA    13      -3.217  -3.909  14.765          0.038
+ATOM     26  CA  CYS    14      -3.703  -2.223  10.998          0.015
+ATOM     27  CB  CYS    14      -3.207  -2.787  10.012          0.048
+ATOM     28  CA  ALA    15      -6.792  -2.050   8.825          0.006
+ATOM     29  CB  ALA    15      -7.204  -1.412   8.857          0.031
+ATOM     30  CA  ALA    16      -7.354  -2.774   5.134          0.023
+ATOM     31  CB  ALA    16      -7.041  -3.366   4.939          0.016
+ATOM     32  CA  ALA    17     -11.177  -2.394   4.907          0.010
+ATOM     33  CB  ALA    17     -11.553  -1.973   5.489          0.027
+ATOM     34  CA  GLY    18     -11.024  -1.266   1.245          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  469.69                                       ENERGY    -2.65769E+01
+ATOM      1  CA  GLY     1      -4.262   0.814   0.265          0.004
+ATOM      2  CA  ALA     2      -0.881  -0.696   0.964          0.056
+ATOM      3  CB  ALA     2      -0.497  -0.496   1.554          0.032
+ATOM      4  CA  ALA     3       0.036  -4.385   0.811          0.015
+ATOM      5  CB  ALA     3       0.128  -4.492   0.050          0.013
+ATOM      6  CA  ALA     4       2.880  -3.909   3.266          0.043
+ATOM      7  CB  ALA     4       3.447  -3.553   2.974          0.033
+ATOM      8  CA  CYS     5       0.351  -3.095   6.061          0.009
+ATOM      9  CB  CYS     5      -0.452  -2.114   6.120          0.014
+ATOM     10  CA  ALA     6      -1.400  -6.188   4.732          0.034
+ATOM     11  CB  ALA     6      -1.962  -5.802   4.317          0.076
+ATOM     12  CA  ALA     7       1.617  -8.204   5.823          0.004
+ATOM     13  CB  ALA     7       2.253  -8.287   5.380          0.120
+ATOM     14  CA  ALA     8       1.313  -6.895   9.342          0.028
+ATOM     15  CB  ALA     8       1.229  -6.400   9.764          0.156
+ATOM     16  CA  ALA     9      -2.307  -7.943   9.419          0.064
+ATOM     17  CB  ALA     9      -2.686  -7.802   8.855          0.032
+ATOM     18  CA  ALA    10      -0.867 -11.309  10.423          0.015
+ATOM     19  CB  ALA    10      -0.096 -11.327  10.346          0.051
+ATOM     20  CA  ALA    11      -1.994 -11.198  13.970          0.059
+ATOM     21  CB  ALA    11      -1.699 -11.567  14.528          0.173
+ATOM     22  CA  ALA    12      -0.714  -7.628  14.236          0.047
+ATOM     23  CB  ALA    12      -0.063  -7.487  13.840          0.051
+ATOM     24  CA  ALA    13      -3.497  -5.264  13.283          0.044
+ATOM     25  CB  ALA    13      -3.739  -5.077  14.019          0.112
+ATOM     26  CA  CYS    14      -4.129  -2.313  10.935          0.003
+ATOM     27  CB  CYS    14      -3.278  -2.951  10.259          0.048
+ATOM     28  CA  ALA    15      -7.018  -1.227   8.741          0.007
+ATOM     29  CB  ALA    15      -7.463  -0.663   8.872          0.012
+ATOM     30  CA  ALA    16      -7.062  -2.348   5.139          0.029
+ATOM     31  CB  ALA    16      -6.876  -3.089   4.913          0.064
+ATOM     32  CA  ALA    17     -10.807  -2.008   4.971          0.010
+ATOM     33  CB  ALA    17     -11.184  -1.385   5.185          0.085
+ATOM     34  CA  GLY    18     -12.312  -1.445   1.544          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  474.69                                       ENERGY    -2.34285E+01
+ATOM      1  CA  GLY     1      -4.538  -0.035   0.602          0.012
+ATOM      2  CA  ALA     2      -0.758  -0.838   0.756          0.033
+ATOM      3  CB  ALA     2      -0.292  -0.357   1.099          0.040
+ATOM      4  CA  ALA     3       0.571  -4.387   0.795          0.013
+ATOM      5  CB  ALA     3       0.637  -4.987   0.416          0.071
+ATOM      6  CA  ALA     4       2.921  -3.396   3.606          0.007
+ATOM      7  CB  ALA     4       3.459  -2.987   3.886          0.034
+ATOM      8  CA  CYS     5      -0.126  -3.010   5.942          0.012
+ATOM      9  CB  CYS     5      -0.798  -2.099   5.490          0.052
+ATOM     10  CA  ALA     6      -1.385  -6.379   4.662          0.008
+ATOM     11  CB  ALA     6      -1.458  -6.825   4.112          0.113
+ATOM     12  CA  ALA     7       1.842  -7.949   5.838          0.013
+ATOM     13  CB  ALA     7       2.493  -7.724   5.705          0.009
+ATOM     14  CA  ALA     8       0.814  -7.155   9.443          0.097
+ATOM     15  CB  ALA     8       1.125  -6.487   9.677          0.158
+ATOM     16  CA  ALA     9      -2.780  -8.352   9.282          0.035
+ATOM     17  CB  ALA     9      -2.815  -8.071   8.553          0.077
+ATOM     18  CA  ALA    10      -1.337 -11.724  10.305          0.028
+ATOM     19  CB  ALA    10      -0.712 -12.013  10.081          0.124
+ATOM     20  CA  ALA    11      -1.290 -10.559  13.885          0.051
+ATOM     21  CB  ALA    11      -1.254 -10.836  14.563          0.017
+ATOM     22  CA  ALA    12      -0.141  -6.930  14.375          0.049
+ATOM     23  CB  ALA    12       0.491  -6.797  14.010          0.033
+ATOM     24  CA  ALA    13      -3.594  -5.899  13.291          0.003
+ATOM     25  CB  ALA    13      -4.296  -5.777  13.557          0.012
+ATOM     26  CA  CYS    14      -4.202  -2.961  10.927          0.002
+ATOM     27  CB  CYS    14      -3.418  -3.287  10.026          0.030
+ATOM     28  CA  ALA    15      -7.005  -1.147   9.191          0.005
+ATOM     29  CB  ALA    15      -7.107  -0.369   9.241          0.083
+ATOM     30  CA  ALA    16      -7.042  -1.910   5.447          0.006
+ATOM     31  CB  ALA    16      -6.406  -2.310   5.459          0.147
+ATOM     32  CA  ALA    17     -10.732  -1.452   4.658          0.016
+ATOM     33  CB  ALA    17     -10.837  -0.737   4.829          0.047
+ATOM     34  CA  GLY    18     -13.279  -1.650   1.824          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  479.69                                       ENERGY    -1.99857E+01
+ATOM      1  CA  GLY     1      -4.295  -0.770   0.796          0.029
+ATOM      2  CA  ALA     2      -0.498  -1.296   0.411          0.019
+ATOM      3  CB  ALA     2      -0.373  -0.879   1.016          0.027
+ATOM      4  CA  ALA     3       1.368  -4.508   0.729          0.067
+ATOM      5  CB  ALA     3       1.969  -4.696   0.285          0.022
+ATOM      6  CA  ALA     4       2.674  -3.352   4.130          0.026
+ATOM      7  CB  ALA     4       2.990  -2.660   4.119          0.041
+ATOM      8  CA  CYS     5      -0.841  -3.260   5.632          0.083
+ATOM      9  CB  CYS     5      -1.658  -2.369   5.464          0.023
+ATOM     10  CA  ALA     6      -1.450  -6.901   4.566          0.011
+ATOM     11  CB  ALA     6      -1.543  -6.835   3.851          0.047
+ATOM     12  CA  ALA     7       1.911  -7.713   6.212          0.024
+ATOM     13  CB  ALA     7       2.686  -7.492   6.109          0.010
+ATOM     14  CA  ALA     8       0.515  -6.520   9.618          0.020
+ATOM     15  CB  ALA     8       0.374  -5.839   9.826          0.119
+ATOM     16  CA  ALA     9      -2.722  -8.523   9.069          0.041
+ATOM     17  CB  ALA     9      -3.094  -9.157   8.936          0.089
+ATOM     18  CA  ALA    10      -1.093 -11.791  10.043          0.019
+ATOM     19  CB  ALA    10      -0.328 -11.972  10.077          0.186
+ATOM     20  CA  ALA    11      -1.206 -10.657  13.635          0.009
+ATOM     21  CB  ALA    11      -0.515 -11.014  13.788          0.095
+ATOM     22  CA  ALA    12      -0.289  -6.954  13.977          0.005
+ATOM     23  CB  ALA    12      -0.270  -6.296  13.761          0.070
+ATOM     24  CA  ALA    13      -3.801  -5.678  13.404          0.004
+ATOM     25  CB  ALA    13      -3.951  -5.806  14.130          0.032
+ATOM     26  CA  CYS    14      -3.582  -2.938  10.816          0.009
+ATOM     27  CB  CYS    14      -3.217  -3.437   9.795          0.006
+ATOM     28  CA  ALA    15      -6.700  -1.175   9.554          0.009
+ATOM     29  CB  ALA    15      -6.953  -0.566   9.922          0.071
+ATOM     30  CA  ALA    16      -7.153  -1.349   5.774          0.001
+ATOM     31  CB  ALA    16      -6.833  -1.901   5.424          0.155
+ATOM     32  CA  ALA    17     -10.829  -0.748   4.536          0.013
+ATOM     33  CB  ALA    17     -11.157  -0.214   4.961          0.080
+ATOM     34  CA  GLY    18     -13.070  -1.800   1.617          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  484.69                                       ENERGY    -2.34120E+01
+ATOM      1  CA  GLY     1      -4.384  -1.901   0.487          0.014
+ATOM      2  CA  ALA     2      -0.540  -1.652   0.716          0.011
+ATOM      3  CB  ALA     2       0.003  -1.350   1.084          0.077
+ATOM      4  CA  ALA     3       1.737  -4.573   1.400          0.041
+ATOM      5  CB  ALA     3       2.192  -4.832   0.839          0.047
+ATOM      6  CA  ALA     4       2.495  -3.117   4.798          0.056
+ATOM      7  CB  ALA     4       2.612  -2.378   4.816          0.181
+ATOM      8  CA  CYS     5      -1.143  -3.664   5.524          0.012
+ATOM      9  CB  CYS     5      -1.996  -2.927   5.047          0.029
+ATOM     10  CA  ALA     6      -1.420  -7.155   4.112          0.006
+ATOM     11  CB  ALA     6      -1.682  -7.341   3.406          0.083
+ATOM     12  CA  ALA     7       1.535  -8.090   6.229          0.008
+ATOM     13  CB  ALA     7       2.183  -7.808   6.036          0.031
+ATOM     14  CA  ALA     8       0.273  -5.982   9.158          0.012
+ATOM     15  CB  ALA     8       0.124  -5.438   9.757          0.019
+ATOM     16  CA  ALA     9      -2.654  -8.421   9.308          0.045
+ATOM     17  CB  ALA     9      -2.798  -8.539   8.534          0.229
+ATOM     18  CA  ALA    10       0.199 -10.912   9.700          0.006
+ATOM     19  CB  ALA    10       0.487 -10.705   9.029          0.048
+ATOM     20  CA  ALA    11      -0.563 -11.163  13.395          0.021
+ATOM     21  CB  ALA    11      -0.440 -11.438  13.993          0.041
+ATOM     22  CA  ALA    12      -0.717  -7.461  14.316          0.005
+ATOM     23  CB  ALA    12      -0.091  -7.379  13.829          0.134
+ATOM     24  CA  ALA    13      -3.623  -5.130  13.802          0.022
+ATOM     25  CB  ALA    13      -4.255  -4.809  14.046          0.069
+ATOM     26  CA  CYS    14      -3.493  -2.849  10.695          0.010
+ATOM     27  CB  CYS    14      -3.369  -3.560   9.663          0.020
+ATOM     28  CA  ALA    15      -6.696  -1.229   9.620          0.060
+ATOM     29  CB  ALA    15      -6.704  -0.648  10.106          0.057
+ATOM     30  CA  ALA    16      -7.795  -1.168   5.952          0.056
+ATOM     31  CB  ALA    16      -7.675  -1.586   5.325          0.015
+ATOM     32  CA  ALA    17     -11.307  -0.364   4.879          0.080
+ATOM     33  CB  ALA    17     -11.624   0.285   5.227          0.042
+ATOM     34  CA  GLY    18     -11.616  -1.127   1.165          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  489.68                                       ENERGY    -1.86919E+01
+ATOM      1  CA  GLY     1      -4.151  -3.122   0.168          0.045
+ATOM      2  CA  ALA     2      -0.508  -1.988   0.660          0.037
+ATOM      3  CB  ALA     2      -0.851  -1.537   1.170          0.013
+ATOM      4  CA  ALA     3       1.605  -4.908   1.670          0.015
+ATOM      5  CB  ALA     3       2.297  -5.082   1.589          0.042
+ATOM      6  CA  ALA     4       2.020  -3.149   4.992          0.023
+ATOM      7  CB  ALA     4       2.416  -2.562   5.356          0.137
+ATOM      8  CA  CYS     5      -1.696  -3.593   5.580          0.001
+ATOM      9  CB  CYS     5      -2.451  -2.771   5.038          0.054
+ATOM     10  CA  ALA     6      -1.420  -7.254   4.712          0.018
+ATOM     11  CB  ALA     6      -1.258  -7.251   4.015          0.064
+ATOM     12  CA  ALA     7       2.047  -7.752   6.094          0.025
+ATOM     13  CB  ALA     7       2.619  -7.443   5.603          0.106
+ATOM     14  CA  ALA     8       0.779  -6.100   9.261          0.005
+ATOM     15  CB  ALA     8       0.583  -5.375   9.355          0.021
+ATOM     16  CA  ALA     9      -2.080  -8.504   9.042          0.012
+ATOM     17  CB  ALA     9      -2.647  -8.460   8.549          0.083
+ATOM     18  CA  ALA    10       0.592 -11.105   9.747          0.005
+ATOM     19  CB  ALA    10       0.776 -10.605  10.245          0.055
+ATOM     20  CA  ALA    11      -0.728 -11.466  13.281          0.009
+ATOM     21  CB  ALA    11      -0.561 -12.071  13.740          0.060
+ATOM     22  CA  ALA    12      -0.510  -7.711  13.687          0.077
+ATOM     23  CB  ALA    12      -0.070  -7.271  13.203          0.041
+ATOM     24  CA  ALA    13      -3.047  -4.953  13.473          0.020
+ATOM     25  CB  ALA    13      -3.043  -5.149  14.228          0.025
+ATOM     26  CA  CYS    14      -4.011  -2.837  10.527          0.019
+ATOM     27  CB  CYS    14      -3.639  -3.422   9.534          0.013
+ATOM     28  CA  ALA    15      -7.306  -0.986   9.561          0.020
+ATOM     29  CB  ALA    15      -7.587  -0.368   9.774          0.147
+ATOM     30  CA  ALA    16      -8.298  -1.106   5.891          0.000
+ATOM     31  CB  ALA    16      -7.768  -1.667   5.902          0.024
+ATOM     32  CA  ALA    17     -11.741   0.062   4.802          0.043
+ATOM     33  CB  ALA    17     -11.959   0.652   4.905          0.033
+ATOM     34  CA  GLY    18     -10.418   0.285   1.202          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  494.68                                       ENERGY    -2.21076E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -4.572  -3.896   0.688          0.007
+ATOM      2  CA  ALA     2      -0.971  -2.586   0.123          0.012
+ATOM      3  CB  ALA     2      -0.741  -2.003   0.484          0.150
+ATOM      4  CA  ALA     3       1.792  -4.666   1.689          0.026
+ATOM      5  CB  ALA     3       2.286  -4.336   1.170          0.150
+ATOM      6  CA  ALA     4       1.693  -2.468   4.757          0.010
+ATOM      7  CB  ALA     4       1.994  -1.760   4.673          0.092
+ATOM      8  CA  CYS     5      -1.633  -3.932   5.829          0.019
+ATOM      9  CB  CYS     5      -2.602  -3.247   5.414          0.002
+ATOM     10  CA  ALA     6      -0.961  -7.517   4.640          0.021
+ATOM     11  CB  ALA     6      -1.085  -7.648   3.894          0.084
+ATOM     12  CA  ALA     7       2.431  -7.574   6.309          0.021
+ATOM     13  CB  ALA     7       3.050  -7.305   6.560          0.132
+ATOM     14  CA  ALA     8       0.900  -5.938   9.373          0.013
+ATOM     15  CB  ALA     8       0.498  -5.310   9.662          0.022
+ATOM     16  CA  ALA     9      -1.847  -8.481   9.242          0.006
+ATOM     17  CB  ALA     9      -2.427  -8.623   8.911          0.028
+ATOM     18  CA  ALA    10       0.779 -11.229   9.811          0.006
+ATOM     19  CB  ALA    10       0.988 -11.484   9.142          0.026
+ATOM     20  CA  ALA    11      -0.992 -11.275  13.167          0.019
+ATOM     21  CB  ALA    11      -1.058 -11.643  13.831          0.031
+ATOM     22  CA  ALA    12      -0.081  -7.636  13.909          0.021
+ATOM     23  CB  ALA    12       0.587  -7.653  14.117          0.052
+ATOM     24  CA  ALA    13      -2.910  -5.267  13.215          0.015
+ATOM     25  CB  ALA    13      -3.208  -5.075  13.848          0.317
+ATOM     26  CA  CYS    14      -4.266  -2.898  10.486          0.013
+ATOM     27  CB  CYS    14      -3.800  -3.577   9.591          0.029
+ATOM     28  CA  ALA    15      -7.647  -1.386   9.776          0.021
+ATOM     29  CB  ALA    15      -7.988  -0.889  10.283          0.077
+ATOM     30  CA  ALA    16      -8.307  -0.781   6.072          0.039
+ATOM     31  CB  ALA    16      -8.558  -1.285   5.619          0.080
+ATOM     32  CA  ALA    17     -11.384   0.624   4.282          0.041
+ATOM     33  CB  ALA    17     -11.897   0.963   4.850          0.019
+ATOM     34  CA  GLY    18     -10.166   1.587   0.786          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  499.68                                       ENERGY    -3.13539E+01
+ATOM      1  CA  GLY     1      -5.163  -4.520   1.129          0.050
+ATOM      2  CA  ALA     2      -1.714  -3.044   0.528          0.009
+ATOM      3  CB  ALA     2      -1.683  -2.272   0.273          0.042
+ATOM      4  CA  ALA     3       1.600  -4.572   1.300          0.007
+ATOM      5  CB  ALA     3       2.237  -4.898   1.048          0.155
+ATOM      6  CA  ALA     4       1.840  -2.373   4.329          0.059
+ATOM      7  CB  ALA     4       1.555  -1.724   4.287          0.011
+ATOM      8  CA  CYS     5      -1.322  -3.960   5.585          0.042
+ATOM      9  CB  CYS     5      -2.334  -3.321   5.156          0.040
+ATOM     10  CA  ALA     6      -0.151  -7.462   4.644          0.020
+ATOM     11  CB  ALA     6       0.152  -7.533   3.983          0.157
+ATOM     12  CA  ALA     7       2.862  -7.157   6.948          0.031
+ATOM     13  CB  ALA     7       3.388  -7.061   7.485          0.086
+ATOM     14  CA  ALA     8       0.433  -5.709   9.476          0.067
+ATOM     15  CB  ALA     8       0.194  -5.101   9.791          0.107
+ATOM     16  CA  ALA     9      -2.053  -8.442   8.533          0.025
+ATOM     17  CB  ALA     9      -2.298  -8.522   7.828          0.057
+ATOM     18  CA  ALA    10       0.409 -11.096   9.807          0.038
+ATOM     19  CB  ALA    10       0.921 -10.789  10.252          0.059
+ATOM     20  CA  ALA    11      -0.974 -11.048  13.291          0.036
+ATOM     21  CB  ALA    11      -0.653 -11.468  13.877          0.048
+ATOM     22  CA  ALA    12       0.097  -7.539  14.075          0.009
+ATOM     23  CB  ALA    12       0.569  -7.054  13.642          0.112
+ATOM     24  CA  ALA    13      -3.190  -5.747  13.729          0.058
+ATOM     25  CB  ALA    13      -3.388  -5.248  14.165          0.050
+ATOM     26  CA  CYS    14      -4.325  -3.893  10.585          0.115
+ATOM     27  CB  CYS    14      -3.757  -4.311   9.547          0.024
+ATOM     28  CA  ALA    15      -7.568  -2.289   9.487          0.053
+ATOM     29  CB  ALA    15      -7.793  -1.954  10.093          0.082
+ATOM     30  CA  ALA    16      -8.502  -0.310   6.386          0.023
+ATOM     31  CB  ALA    16      -8.017  -0.627   5.927          0.059
+ATOM     32  CA  ALA    17     -11.240   1.408   4.267          0.037
+ATOM     33  CB  ALA    17     -11.542   2.014   4.164          0.056
+ATOM     34  CA  GLY    18     -10.564   2.397   0.680          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  504.66                                       ENERGY    -2.33494E+01
+ATOM      1  CA  GLY     1      -5.538  -5.092   1.466          0.063
+ATOM      2  CA  ALA     2      -2.162  -3.531   0.443          0.027
+ATOM      3  CB  ALA     2      -2.210  -2.918   0.762          0.044
+ATOM      4  CA  ALA     3       1.534  -4.379   0.394          0.027
+ATOM      5  CB  ALA     3       2.235  -4.613   0.225          0.068
+ATOM      6  CA  ALA     4       2.131  -2.485   3.670          0.013
+ATOM      7  CB  ALA     4       2.491  -1.784   3.687          0.106
+ATOM      8  CA  CYS     5      -1.164  -3.766   5.249          0.003
+ATOM      9  CB  CYS     5      -2.317  -3.646   4.950          0.004
+ATOM     10  CA  ALA     6       0.076  -7.341   5.006          0.027
+ATOM     11  CB  ALA     6       0.442  -7.216   4.418          0.056
+ATOM     12  CA  ALA     7       2.957  -6.583   7.326          0.002
+ATOM     13  CB  ALA     7       3.636  -6.282   7.167          0.032
+ATOM     14  CA  ALA     8       0.569  -5.613  10.102          0.043
+ATOM     15  CB  ALA     8       0.283  -5.052   9.734          0.150
+ATOM     16  CA  ALA     9      -1.693  -8.371   8.824          0.054
+ATOM     17  CB  ALA     9      -2.248  -8.542   8.366          0.051
+ATOM     18  CA  ALA    10       0.690 -11.020  10.012          0.007
+ATOM     19  CB  ALA    10       1.370 -11.000   9.703          0.045
+ATOM     20  CA  ALA    11      -0.942 -10.686  13.387          0.025
+ATOM     21  CB  ALA    11      -0.576 -11.136  13.909          0.014
+ATOM     22  CA  ALA    12      -0.273  -7.192  14.716          0.023
+ATOM     23  CB  ALA    12       0.185  -7.233  14.131          0.064
+ATOM     24  CA  ALA    13      -3.705  -6.312  13.418          0.018
+ATOM     25  CB  ALA    13      -3.783  -5.821  14.036          0.072
+ATOM     26  CA  CYS    14      -4.938  -4.184  10.482          0.089
+ATOM     27  CB  CYS    14      -4.370  -4.609   9.446          0.005
+ATOM     28  CA  ALA    15      -8.059  -2.479   9.101          0.009
+ATOM     29  CB  ALA    15      -8.617  -2.238   9.492          0.102
+ATOM     30  CA  ALA    16      -7.731  -0.381   6.005          0.035
+ATOM     31  CB  ALA    16      -7.559  -0.645   5.357          0.122
+ATOM     32  CA  ALA    17     -10.506   1.823   4.795          0.054
+ATOM     33  CB  ALA    17     -10.713   2.101   5.370          0.080
+ATOM     34  CA  GLY    18     -10.924   3.224   1.261          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  509.65                                       ENERGY    -2.36133E+01
+ATOM      1  CA  GLY     1      -5.019  -6.063   1.356          0.008
+ATOM      2  CA  ALA     2      -2.413  -3.426   0.327          0.012
+ATOM      3  CB  ALA     2      -2.366  -2.624   0.357          0.147
+ATOM      4  CA  ALA     3       1.090  -4.864   0.385          0.033
+ATOM      5  CB  ALA     3       0.991  -4.688  -0.339          0.214
+ATOM      6  CA  ALA     4       2.238  -2.574   3.214          0.015
+ATOM      7  CB  ALA     4       2.308  -1.854   3.416          0.079
+ATOM      8  CA  CYS     5      -0.793  -3.653   5.197          0.030
+ATOM      9  CB  CYS     5      -1.839  -3.308   4.597          0.007
+ATOM     10  CA  ALA     6       0.182  -7.355   5.113          0.005
+ATOM     11  CB  ALA     6       0.160  -7.646   4.389          0.028
+ATOM     12  CA  ALA     7       3.170  -6.498   7.326          0.000
+ATOM     13  CB  ALA     7       3.562  -5.975   6.976          0.021
+ATOM     14  CA  ALA     8       0.818  -5.618  10.178          0.005
+ATOM     15  CB  ALA     8       0.695  -5.092  10.677          0.098
+ATOM     16  CA  ALA     9      -1.567  -8.338   9.140          0.034
+ATOM     17  CB  ALA     9      -1.684  -8.586   8.476          0.050
+ATOM     18  CA  ALA    10       1.246 -10.610  10.213          0.024
+ATOM     19  CB  ALA    10       1.960 -10.509  10.184          0.097
+ATOM     20  CA  ALA    11       0.114 -11.149  13.853          0.070
+ATOM     21  CB  ALA    11       0.135 -11.425  14.499          0.132
+ATOM     22  CA  ALA    12      -1.287  -7.598  14.188          0.081
+ATOM     23  CB  ALA    12      -0.853  -6.956  14.011          0.080
+ATOM     24  CA  ALA    13      -4.764  -6.369  13.195          0.009
+ATOM     25  CB  ALA    13      -4.952  -5.877  13.712          0.070
+ATOM     26  CA  CYS    14      -5.312  -3.943  10.404          0.004
+ATOM     27  CB  CYS    14      -4.575  -4.457   9.522          0.026
+ATOM     28  CA  ALA    15      -8.359  -2.408   8.720          0.012
+ATOM     29  CB  ALA    15      -8.855  -2.109   9.241          0.000
+ATOM     30  CA  ALA    16      -7.411  -0.811   5.523          0.021
+ATOM     31  CB  ALA    16      -7.422  -1.213   4.966          0.041
+ATOM     32  CA  ALA    17     -10.140   1.755   5.145          0.045
+ATOM     33  CB  ALA    17     -10.257   2.027   5.875          0.039
+ATOM     34  CA  GLY    18     -10.737   4.661   2.751          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  514.65                                       ENERGY    -2.20947E+01
+ATOM      1  CA  GLY     1      -4.629  -5.603   1.615          0.027
+ATOM      2  CA  ALA     2      -2.343  -3.413  -0.414          0.011
+ATOM      3  CB  ALA     2      -2.531  -2.805  -0.009          0.121
+ATOM      4  CA  ALA     3       0.725  -5.462   0.599          0.009
+ATOM      5  CB  ALA     3       1.436  -5.640   0.796          0.094
+ATOM      6  CA  ALA     4       1.756  -2.572   2.764          0.005
+ATOM      7  CB  ALA     4       2.035  -1.910   2.453          0.090
+ATOM      8  CA  CYS     5      -0.859  -3.556   5.409          0.013
+ATOM      9  CB  CYS     5      -2.086  -3.420   5.159          0.030
+ATOM     10  CA  ALA     6       0.134  -7.195   4.990          0.007
+ATOM     11  CB  ALA     6       0.071  -7.584   4.356          0.036
+ATOM     12  CA  ALA     7       3.218  -6.675   7.190          0.019
+ATOM     13  CB  ALA     7       3.810  -6.198   7.262          0.016
+ATOM     14  CA  ALA     8       0.884  -5.258   9.865          0.010
+ATOM     15  CB  ALA     8       0.830  -4.682   9.374          0.042
+ATOM     16  CA  ALA     9      -0.968  -8.557   9.656          0.020
+ATOM     17  CB  ALA     9      -1.409  -8.742   9.127          0.050
+ATOM     18  CA  ALA    10       2.241  -9.925  11.040          0.035
+ATOM     19  CB  ALA    10       2.839  -9.490  11.232          0.115
+ATOM     20  CA  ALA    11       0.051 -11.258  13.802          0.024
+ATOM     21  CB  ALA    11       0.680 -11.488  14.209          0.069
+ATOM     22  CA  ALA    12      -1.950  -8.039  13.987          0.067
+ATOM     23  CB  ALA    12      -1.570  -7.746  13.534          0.002
+ATOM     24  CA  ALA    13      -5.359  -6.577  13.162          0.035
+ATOM     25  CB  ALA    13      -5.902  -6.496  13.674          0.012
+ATOM     26  CA  CYS    14      -5.108  -4.224  10.127          0.029
+ATOM     27  CB  CYS    14      -4.470  -4.800   9.235          0.046
+ATOM     28  CA  ALA    15      -8.004  -2.402   8.625          0.001
+ATOM     29  CB  ALA    15      -8.399  -1.807   8.798          0.041
+ATOM     30  CA  ALA    16      -7.946  -0.644   5.277          0.043
+ATOM     31  CB  ALA    16      -7.721  -0.872   4.527          0.069
+ATOM     32  CA  ALA    17     -10.446   2.176   5.210          0.035
+ATOM     33  CB  ALA    17     -10.607   2.152   5.895          0.040
+ATOM     34  CA  GLY    18     -10.045   5.720   3.995          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  519.65                                       ENERGY    -2.50480E+01
+ATOM      1  CA  GLY     1      -5.751  -4.504   1.350          0.006
+ATOM      2  CA  ALA     2      -2.313  -4.710  -0.064          0.143
+ATOM      3  CB  ALA     2      -1.919  -4.110  -0.294          0.056
+ATOM      4  CA  ALA     3       1.222  -5.696   1.061          0.005
+ATOM      5  CB  ALA     3       1.758  -5.720   0.531          0.058
+ATOM      6  CA  ALA     4       1.566  -2.570   3.129          0.026
+ATOM      7  CB  ALA     4       1.167  -1.985   2.917          0.159
+ATOM      8  CA  CYS     5      -1.221  -3.809   5.442          0.031
+ATOM      9  CB  CYS     5      -2.359  -3.442   5.241          0.032
+ATOM     10  CA  ALA     6       0.210  -7.298   4.889          0.017
+ATOM     11  CB  ALA     6       0.400  -7.642   4.261          0.006
+ATOM     12  CA  ALA     7       3.414  -6.251   6.640          0.032
+ATOM     13  CB  ALA     7       4.092  -5.949   6.373          0.042
+ATOM     14  CA  ALA     8       1.275  -4.942   9.438          0.022
+ATOM     15  CB  ALA     8       0.569  -4.837   9.655          0.031
+ATOM     16  CA  ALA     9      -0.559  -8.273   9.408          0.038
+ATOM     17  CB  ALA     9      -0.819  -8.704   8.904          0.089
+ATOM     18  CA  ALA    10       2.316  -9.235  11.770          0.038
+ATOM     19  CB  ALA    10       2.911  -8.891  12.005          0.036
+ATOM     20  CA  ALA    11       0.078 -11.370  13.861          0.011
+ATOM     21  CB  ALA    11       0.296 -11.188  14.527          0.006
+ATOM     22  CA  ALA    12      -2.195  -8.390  14.769          0.028
+ATOM     23  CB  ALA    12      -1.828  -7.875  14.379          0.097
+ATOM     24  CA  ALA    13      -5.098  -7.187  12.609          0.056
+ATOM     25  CB  ALA    13      -5.711  -7.110  12.966          0.078
+ATOM     26  CA  CYS    14      -5.228  -4.831   9.650          0.097
+ATOM     27  CB  CYS    14      -4.576  -5.409   8.737          0.021
+ATOM     28  CA  ALA    15      -7.466  -2.171   8.007          0.003
+ATOM     29  CB  ALA    15      -7.813  -1.949   8.563          0.062
+ATOM     30  CA  ALA    16      -8.063   0.270   5.149          0.019
+ATOM     31  CB  ALA    16      -8.125  -0.107   4.561          0.019
+ATOM     32  CA  ALA    17     -10.938   2.685   5.663          0.011
+ATOM     33  CB  ALA    17     -11.634   2.674   5.985          0.035
+ATOM     34  CA  GLY    18      -9.301   5.972   4.707          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  524.65                                       ENERGY    -2.09835E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -5.340  -4.302   1.808          0.033
+ATOM      2  CA  ALA     2      -2.149  -4.739  -0.140          0.040
+ATOM      3  CB  ALA     2      -2.093  -4.774  -0.876          0.018
+ATOM      4  CA  ALA     3       1.373  -5.549   0.946          0.033
+ATOM      5  CB  ALA     3       1.965  -5.949   0.577          0.025
+ATOM      6  CA  ALA     4       1.154  -2.614   3.310          0.031
+ATOM      7  CB  ALA     4       1.137  -1.893   3.200          0.014
+ATOM      8  CA  CYS     5      -1.563  -4.413   5.362          0.024
+ATOM      9  CB  CYS     5      -2.788  -4.302   5.560          0.018
+ATOM     10  CA  ALA     6       0.298  -7.696   4.718          0.013
+ATOM     11  CB  ALA     6       0.543  -7.926   4.061          0.016
+ATOM     12  CA  ALA     7       3.214  -5.896   6.348          0.017
+ATOM     13  CB  ALA     7       3.477  -5.300   6.052          0.105
+ATOM     14  CA  ALA     8       0.957  -4.797   9.175          0.064
+ATOM     15  CB  ALA     8       0.673  -4.089   9.054          0.025
+ATOM     16  CA  ALA     9      -0.198  -8.371   9.657          0.004
+ATOM     17  CB  ALA     9       0.109  -8.535   9.030          0.039
+ATOM     18  CA  ALA    10       2.402  -9.204  12.263          0.014
+ATOM     19  CB  ALA    10       2.697  -8.883  12.778          0.149
+ATOM     20  CA  ALA    11      -0.151 -11.066  14.338          0.066
+ATOM     21  CB  ALA    11       0.093 -11.716  14.676          0.028
+ATOM     22  CA  ALA    12      -2.346  -7.911  14.594          0.028
+ATOM     23  CB  ALA    12      -2.004  -7.353  14.854          0.091
+ATOM     24  CA  ALA    13      -4.778  -7.567  11.678          0.037
+ATOM     25  CB  ALA    13      -5.479  -7.585  11.976          0.113
+ATOM     26  CA  CYS    14      -5.115  -4.772   9.090          0.008
+ATOM     27  CB  CYS    14      -4.297  -5.020   8.193          0.004
+ATOM     28  CA  ALA    15      -7.820  -2.216   8.204          0.034
+ATOM     29  CB  ALA    15      -8.184  -2.111   8.885          0.110
+ATOM     30  CA  ALA    16      -7.974   0.576   5.635          0.034
+ATOM     31  CB  ALA    16      -7.588   0.365   5.147          0.011
+ATOM     32  CA  ALA    17     -11.033   2.672   5.487          0.012
+ATOM     33  CB  ALA    17     -11.564   2.851   5.920          0.051
+ATOM     34  CA  GLY    18      -8.924   5.904   5.539          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  529.65                                       ENERGY    -1.81499E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -4.898  -5.564   1.341          0.040
+ATOM      2  CA  ALA     2      -1.912  -4.318  -0.673          0.025
+ATOM      3  CB  ALA     2      -1.848  -3.635  -0.983          0.098
+ATOM      4  CA  ALA     3       1.329  -5.770   0.732          0.036
+ATOM      5  CB  ALA     3       1.954  -5.541   0.685          0.005
+ATOM      6  CA  ALA     4       0.592  -2.558   2.706          0.004
+ATOM      7  CB  ALA     4       0.167  -2.053   2.340          0.081
+ATOM      8  CA  CYS     5      -1.514  -4.417   5.375          0.001
+ATOM      9  CB  CYS     5      -2.700  -4.299   5.702          0.022
+ATOM     10  CA  ALA     6       0.304  -7.718   4.764          0.002
+ATOM     11  CB  ALA     6       0.555  -7.984   4.137          0.121
+ATOM     12  CA  ALA     7       3.420  -6.109   6.282          0.010
+ATOM     13  CB  ALA     7       4.018  -5.721   6.253          0.021
+ATOM     14  CA  ALA     8       1.163  -4.997   9.166          0.038
+ATOM     15  CB  ALA     8       0.581  -4.605   9.154          0.051
+ATOM     16  CA  ALA     9      -0.112  -8.504   9.567          0.027
+ATOM     17  CB  ALA     9      -0.315  -8.768   8.975          0.010
+ATOM     18  CA  ALA    10       2.355  -8.859  12.379          0.013
+ATOM     19  CB  ALA    10       2.280  -8.286  12.736          0.089
+ATOM     20  CA  ALA    11      -0.154 -10.580  14.690          0.022
+ATOM     21  CB  ALA    11      -0.354 -10.983  15.235          0.038
+ATOM     22  CA  ALA    12      -2.730  -7.752  14.289          0.062
+ATOM     23  CB  ALA    12      -2.112  -7.385  14.570          0.019
+ATOM     24  CA  ALA    13      -4.501  -7.774  10.960          0.014
+ATOM     25  CB  ALA    13      -4.982  -8.353  11.176          0.036
+ATOM     26  CA  CYS    14      -5.142  -4.253   9.754          0.010
+ATOM     27  CB  CYS    14      -4.502  -4.676   8.805          0.037
+ATOM     28  CA  ALA    15      -8.321  -2.592   8.429          0.007
+ATOM     29  CB  ALA    15      -8.805  -2.130   8.738          0.105
+ATOM     30  CA  ALA    16      -7.594   0.382   6.207          0.023
+ATOM     31  CB  ALA    16      -7.049   0.165   5.794          0.081
+ATOM     32  CA  ALA    17     -10.494   2.644   5.529          0.003
+ATOM     33  CB  ALA    17     -11.106   2.474   5.685          0.007
+ATOM     34  CA  GLY    18      -9.049   6.045   6.030          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  534.65                                       ENERGY    -1.63306E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -4.803  -6.813  -0.046          0.062
+ATOM      2  CA  ALA     2      -2.142  -4.422  -1.185          0.025
+ATOM      3  CB  ALA     2      -2.356  -3.816  -1.135          0.049
+ATOM      4  CA  ALA     3       1.122  -5.277   0.633          0.005
+ATOM      5  CB  ALA     3       1.799  -5.345   0.440          0.110
+ATOM      6  CA  ALA     4       0.852  -2.262   2.981          0.006
+ATOM      7  CB  ALA     4       0.532  -1.625   2.883          0.223
+ATOM      8  CA  CYS     5      -1.325  -4.264   5.474          0.015
+ATOM      9  CB  CYS     5      -2.483  -4.113   5.746          0.025
+ATOM     10  CA  ALA     6       0.359  -7.494   4.441          0.011
+ATOM     11  CB  ALA     6       0.533  -7.915   3.812          0.079
+ATOM     12  CA  ALA     7       3.301  -6.203   6.435          0.039
+ATOM     13  CB  ALA     7       3.550  -6.118   5.794          0.012
+ATOM     14  CA  ALA     8       0.930  -5.052   9.172          0.010
+ATOM     15  CB  ALA     8       0.363  -4.673   9.048          0.019
+ATOM     16  CA  ALA     9      -0.305  -8.635   9.709          0.023
+ATOM     17  CB  ALA     9      -0.026  -8.886   9.023          0.015
+ATOM     18  CA  ALA    10       2.243  -8.876  12.531          0.005
+ATOM     19  CB  ALA    10       2.911  -8.564  12.434          0.037
+ATOM     20  CA  ALA    11      -0.289 -10.443  14.929          0.009
+ATOM     21  CB  ALA    11      -0.507 -10.566  15.623          0.051
+ATOM     22  CA  ALA    12      -2.608  -7.439  14.643          0.009
+ATOM     23  CB  ALA    12      -2.556  -6.986  14.091          0.048
+ATOM     24  CA  ALA    13      -4.627  -7.990  11.467          0.017
+ATOM     25  CB  ALA    13      -5.161  -8.439  11.026          0.055
+ATOM     26  CA  CYS    14      -5.339  -4.640   9.707          0.007
+ATOM     27  CB  CYS    14      -4.589  -3.994   8.892          0.009
+ATOM     28  CA  ALA    15      -8.399  -2.993   8.246          0.039
+ATOM     29  CB  ALA    15      -8.969  -3.042   8.714          0.067
+ATOM     30  CA  ALA    16      -7.087   0.291   6.839          0.020
+ATOM     31  CB  ALA    16      -6.475   0.119   6.687          0.046
+ATOM     32  CA  ALA    17      -9.762   2.560   5.409          0.003
+ATOM     33  CB  ALA    17     -10.466   2.556   5.384          0.203
+ATOM     34  CA  GLY    18      -9.789   6.202   6.183          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  539.65                                       ENERGY    -2.36310E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -4.887  -7.438  -1.507          0.021
+ATOM      2  CA  ALA     2      -2.308  -4.782  -0.843          0.006
+ATOM      3  CB  ALA     2      -2.313  -4.252  -0.327          0.165
+ATOM      4  CA  ALA     3       1.151  -4.718   0.663          0.025
+ATOM      5  CB  ALA     3       1.576  -4.932   0.147          0.059
+ATOM      6  CA  ALA     4       0.906  -2.068   3.356          0.011
+ATOM      7  CB  ALA     4       0.982  -1.340   3.303          0.059
+ATOM      8  CA  CYS     5      -1.671  -4.133   5.324          0.021
+ATOM      9  CB  CYS     5      -2.905  -3.898   5.379          0.018
+ATOM     10  CA  ALA     6       0.085  -7.407   4.374          0.004
+ATOM     11  CB  ALA     6      -0.168  -7.656   3.755          0.072
+ATOM     12  CA  ALA     7       3.161  -6.213   6.218          0.006
+ATOM     13  CB  ALA     7       3.551  -5.646   6.388          0.006
+ATOM     14  CA  ALA     8       1.096  -5.344   9.221          0.004
+ATOM     15  CB  ALA     8       0.688  -4.767   9.073          0.003
+ATOM     16  CA  ALA     9       0.009  -8.964   9.695          0.011
+ATOM     17  CB  ALA     9      -0.249  -9.332   9.119          0.031
+ATOM     18  CA  ALA    10       2.330  -9.370  12.637          0.014
+ATOM     19  CB  ALA    10       2.472  -8.829  13.171          0.020
+ATOM     20  CA  ALA    11      -0.415 -10.584  14.852          0.009
+ATOM     21  CB  ALA    11       0.035 -10.330  15.437          0.019
+ATOM     22  CA  ALA    12      -2.192  -7.211  14.407          0.091
+ATOM     23  CB  ALA    12      -1.937  -6.554  14.221          0.137
+ATOM     24  CA  ALA    13      -4.588  -7.552  11.477          0.039
+ATOM     25  CB  ALA    13      -5.301  -7.665  11.644          0.059
+ATOM     26  CA  CYS    14      -5.435  -4.380   9.482          0.063
+ATOM     27  CB  CYS    14      -4.606  -4.208   8.622          0.013
+ATOM     28  CA  ALA    15      -8.547  -3.249   7.698          0.052
+ATOM     29  CB  ALA    15      -9.173  -3.483   7.764          0.059
+ATOM     30  CA  ALA    16      -7.413   0.338   8.035          0.003
+ATOM     31  CB  ALA    16      -6.689   0.293   8.037          0.200
+ATOM     32  CA  ALA    17      -8.946   2.523   5.297          0.033
+ATOM     33  CB  ALA    17      -9.306   2.127   4.868          0.058
+ATOM     34  CA  GLY    18     -10.126   6.057   5.960          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  544.64                                       ENERGY    -2.55983E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -3.390  -6.761  -2.748          0.021
+ATOM      2  CA  ALA     2      -2.839  -4.850   0.536          0.057
+ATOM      3  CB  ALA     2      -3.274  -4.631   1.113          0.084
+ATOM      4  CA  ALA     3       0.964  -5.011   0.940          0.040
+ATOM      5  CB  ALA     3       1.430  -4.831   0.465          0.027
+ATOM      6  CA  ALA     4       0.721  -1.980   3.125          0.025
+ATOM      7  CB  ALA     4       0.235  -1.427   3.022          0.072
+ATOM      8  CA  CYS     5      -1.571  -3.922   5.484          0.004
+ATOM      9  CB  CYS     5      -2.795  -3.896   5.407          0.019
+ATOM     10  CA  ALA     6      -0.126  -7.263   4.476          0.019
+ATOM     11  CB  ALA     6      -0.176  -7.436   3.852          0.113
+ATOM     12  CA  ALA     7       3.016  -6.329   6.458          0.038
+ATOM     13  CB  ALA     7       3.475  -5.903   6.088          0.012
+ATOM     14  CA  ALA     8       0.743  -5.455   9.319          0.014
+ATOM     15  CB  ALA     8       0.064  -5.179   9.316          0.029
+ATOM     16  CA  ALA     9      -0.108  -9.124   9.609          0.004
+ATOM     17  CB  ALA     9       0.239  -9.723   9.438          0.001
+ATOM     18  CA  ALA    10       2.418  -9.554  12.427          0.003
+ATOM     19  CB  ALA    10       2.903  -8.924  12.447          0.018
+ATOM     20  CA  ALA    11      -0.304 -10.545  14.765          0.048
+ATOM     21  CB  ALA    11      -0.043 -10.562  15.445          0.094
+ATOM     22  CA  ALA    12      -1.732  -7.100  14.042          0.026
+ATOM     23  CB  ALA    12      -1.033  -6.732  14.035          0.006
+ATOM     24  CA  ALA    13      -4.621  -7.046  11.609          0.003
+ATOM     25  CB  ALA    13      -5.139  -7.109  12.142          0.105
+ATOM     26  CA  CYS    14      -5.191  -3.990   9.412          0.025
+ATOM     27  CB  CYS    14      -4.756  -4.559   8.447          0.008
+ATOM     28  CA  ALA    15      -8.138  -3.112   7.106          0.007
+ATOM     29  CB  ALA    15      -8.872  -3.362   7.006          0.054
+ATOM     30  CA  ALA    16      -8.439   0.502   8.381          0.020
+ATOM     31  CB  ALA    16      -7.903   0.533   8.851          0.263
+ATOM     32  CA  ALA    17      -8.340   2.332   5.077          0.012
+ATOM     33  CB  ALA    17      -8.539   2.240   4.319          0.107
+ATOM     34  CA  GLY    18      -9.995   5.688   5.644          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  549.62                                       ENERGY    -1.30015E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -2.079  -5.405  -2.917          0.049
+ATOM      2  CA  ALA     2      -3.379  -4.925   0.632          0.015
+ATOM      3  CB  ALA     2      -3.450  -5.504   1.064          0.016
+ATOM      4  CA  ALA     3       0.451  -5.060   0.887          0.061
+ATOM      5  CB  ALA     3       0.579  -4.913   0.164          0.005
+ATOM      6  CA  ALA     4       0.530  -2.102   3.369          0.011
+ATOM      7  CB  ALA     4       0.765  -1.470   3.303          0.014
+ATOM      8  CA  CYS     5      -1.810  -4.104   5.629          0.020
+ATOM      9  CB  CYS     5      -3.013  -3.975   5.385          0.015
+ATOM     10  CA  ALA     6       0.067  -7.345   4.755          0.018
+ATOM     11  CB  ALA     6       0.357  -7.509   4.087          0.064
+ATOM     12  CA  ALA     7       3.067  -6.256   6.680          0.035
+ATOM     13  CB  ALA     7       3.571  -5.843   6.437          0.122
+ATOM     14  CA  ALA     8       0.967  -5.768   9.803          0.019
+ATOM     15  CB  ALA     8       0.423  -5.341   9.840          0.016
+ATOM     16  CA  ALA     9      -0.290  -9.424   9.423          0.012
+ATOM     17  CB  ALA     9      -0.316  -9.608   8.678          0.053
+ATOM     18  CA  ALA    10       2.591 -10.129  11.847          0.004
+ATOM     19  CB  ALA    10       2.855  -9.503  11.928          0.102
+ATOM     20  CA  ALA    11       0.440 -10.283  14.983          0.002
+ATOM     21  CB  ALA    11       0.179 -10.395  15.626          0.061
+ATOM     22  CA  ALA    12      -1.310  -7.141  14.004          0.005
+ATOM     23  CB  ALA    12      -1.218  -6.711  13.437          0.007
+ATOM     24  CA  ALA    13      -4.532  -6.185  12.213          0.008
+ATOM     25  CB  ALA    13      -5.177  -6.395  12.514          0.043
+ATOM     26  CA  CYS    14      -5.389  -4.142   9.081          0.001
+ATOM     27  CB  CYS    14      -4.489  -4.529   8.385          0.055
+ATOM     28  CA  ALA    15      -8.408  -3.119   7.055          0.023
+ATOM     29  CB  ALA    15      -9.155  -3.272   7.106          0.037
+ATOM     30  CA  ALA    16      -9.142   0.550   8.147          0.016
+ATOM     31  CB  ALA    16      -9.290   0.742   8.899          0.023
+ATOM     32  CA  ALA    17      -8.028   2.399   5.004          0.037
+ATOM     33  CB  ALA    17      -7.895   1.892   4.474          0.111
+ATOM     34  CA  GLY    18      -9.728   5.743   5.036          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  554.62                                       ENERGY    -2.46767E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -3.630  -4.353  -3.247          0.063
+ATOM      2  CA  ALA     2      -2.835  -4.497   0.440          0.015
+ATOM      3  CB  ALA     2      -3.143  -5.133   0.780          0.021
+ATOM      4  CA  ALA     3       0.937  -5.073   0.656          0.003
+ATOM      5  CB  ALA     3       1.385  -5.180   0.087          0.090
+ATOM      6  CA  ALA     4       0.910  -2.535   3.561          0.024
+ATOM      7  CB  ALA     4       0.509  -1.853   3.633          0.032
+ATOM      8  CA  CYS     5      -1.467  -4.624   5.609          0.041
+ATOM      9  CB  CYS     5      -2.711  -4.575   5.845          0.036
+ATOM     10  CA  ALA     6       0.358  -7.843   4.818          0.009
+ATOM     11  CB  ALA     6       0.449  -8.224   4.248          0.063
+ATOM     12  CA  ALA     7       3.301  -6.414   6.751          0.026
+ATOM     13  CB  ALA     7       3.609  -5.752   6.819          0.018
+ATOM     14  CA  ALA     8       0.907  -5.354   9.517          0.012
+ATOM     15  CB  ALA     8       0.413  -4.883   9.570          0.043
+ATOM     16  CA  ALA     9      -0.675  -8.827   9.494          0.124
+ATOM     17  CB  ALA     9      -0.778  -8.637   8.813          0.045
+ATOM     18  CA  ALA    10       2.391 -10.141  11.250          0.048
+ATOM     19  CB  ALA    10       3.114 -10.076  11.560          0.217
+ATOM     20  CA  ALA    11       0.372 -10.293  14.522          0.040
+ATOM     21  CB  ALA    11       1.009 -10.628  14.726          0.010
+ATOM     22  CA  ALA    12      -1.523  -7.030  14.070          0.046
+ATOM     23  CB  ALA    12      -1.106  -6.465  14.044          0.035
+ATOM     24  CA  ALA    13      -4.828  -6.139  12.370          0.016
+ATOM     25  CB  ALA    13      -5.250  -5.901  12.981          0.053
+ATOM     26  CA  CYS    14      -5.543  -3.627   9.579          0.012
+ATOM     27  CB  CYS    14      -4.798  -4.216   8.779          0.021
+ATOM     28  CA  ALA    15      -8.820  -3.493   7.536          0.013
+ATOM     29  CB  ALA    15      -9.301  -4.160   7.352          0.089
+ATOM     30  CA  ALA    16      -9.637   0.230   7.950          0.006
+ATOM     31  CB  ALA    16      -9.620   0.661   8.479          0.024
+ATOM     32  CA  ALA    17      -8.136   2.327   5.170          0.011
+ATOM     33  CB  ALA    17      -7.682   2.055   4.700          0.018
+ATOM     34  CA  GLY    18      -9.115   5.802   4.023          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  559.62                                       ENERGY    -2.08250E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -4.855  -3.810  -3.007          0.005
+ATOM      2  CA  ALA     2      -2.482  -4.088  -0.078          0.006
+ATOM      3  CB  ALA     2      -2.761  -4.096   0.540          0.157
+ATOM      4  CA  ALA     3       1.017  -5.373   0.886          0.011
+ATOM      5  CB  ALA     3       1.658  -4.982   0.849          0.006
+ATOM      6  CA  ALA     4       1.059  -2.972   3.827          0.008
+ATOM      7  CB  ALA     4       1.177  -2.263   3.997          0.015
+ATOM      8  CA  CYS     5      -1.508  -5.101   5.616          0.052
+ATOM      9  CB  CYS     5      -2.778  -5.041   5.869          0.030
+ATOM     10  CA  ALA     6       0.712  -8.119   5.086          0.012
+ATOM     11  CB  ALA     6       1.147  -8.190   4.449          0.031
+ATOM     12  CA  ALA     7       3.380  -6.394   7.202          0.009
+ATOM     13  CB  ALA     7       3.939  -6.553   6.809          0.067
+ATOM     14  CA  ALA     8       0.849  -4.843   9.479          0.075
+ATOM     15  CB  ALA     8       0.431  -4.337   9.276          0.005
+ATOM     16  CA  ALA     9      -1.183  -8.117   9.506          0.019
+ATOM     17  CB  ALA     9      -1.571  -8.221   8.921          0.062
+ATOM     18  CA  ALA    10       1.907  -9.823  10.763          0.014
+ATOM     19  CB  ALA    10       2.306  -9.381  10.255          0.154
+ATOM     20  CA  ALA    11       0.146 -10.281  14.027          0.041
+ATOM     21  CB  ALA    11       0.222 -10.366  14.739          0.096
+ATOM     22  CA  ALA    12      -1.171  -6.669  13.908          0.062
+ATOM     23  CB  ALA    12      -0.771  -6.540  13.240          0.023
+ATOM     24  CA  ALA    13      -4.586  -6.395  12.238          0.039
+ATOM     25  CB  ALA    13      -4.605  -6.013  12.936          0.114
+ATOM     26  CA  CYS    14      -5.664  -3.539   9.942          0.016
+ATOM     27  CB  CYS    14      -4.875  -3.753   9.031          0.002
+ATOM     28  CA  ALA    15      -9.010  -4.058   8.170          0.010
+ATOM     29  CB  ALA    15      -9.646  -3.995   8.552          0.031
+ATOM     30  CA  ALA    16      -9.415  -0.363   7.539          0.033
+ATOM     31  CB  ALA    16      -9.233  -0.192   8.230          0.060
+ATOM     32  CA  ALA    17      -8.053   2.084   5.064          0.012
+ATOM     33  CB  ALA    17      -7.862   1.640   4.529          0.077
+ATOM     34  CA  GLY    18      -8.649   5.595   3.839          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  564.57                                       ENERGY    -2.56699E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -4.870  -4.554  -2.297          0.028
+ATOM      2  CA  ALA     2      -2.163  -3.024  -0.123          0.003
+ATOM      3  CB  ALA     2      -2.093  -2.738   0.611          0.072
+ATOM      4  CA  ALA     3       0.908  -5.033   0.976          0.015
+ATOM      5  CB  ALA     3       1.203  -5.372   0.456          0.090
+ATOM      6  CA  ALA     4       1.365  -2.816   3.991          0.002
+ATOM      7  CB  ALA     4       1.020  -2.134   3.970          0.054
+ATOM      8  CA  CYS     5      -1.528  -4.750   5.407          0.028
+ATOM      9  CB  CYS     5      -2.767  -4.603   5.510          0.041
+ATOM     10  CA  ALA     6       0.410  -8.019   5.032          0.028
+ATOM     11  CB  ALA     6       0.427  -8.662   4.614          0.191
+ATOM     12  CA  ALA     7       3.060  -6.533   7.295          0.005
+ATOM     13  CB  ALA     7       3.589  -6.044   7.204          0.102
+ATOM     14  CA  ALA     8       0.388  -5.064   9.430          0.043
+ATOM     15  CB  ALA     8      -0.078  -4.544   9.237          0.047
+ATOM     16  CA  ALA     9      -1.569  -8.280   9.269          0.089
+ATOM     17  CB  ALA     9      -1.935  -7.951   8.703          0.018
+ATOM     18  CA  ALA    10       1.524 -10.202  10.574          0.070
+ATOM     19  CB  ALA    10       2.102  -9.906  10.898          0.076
+ATOM     20  CA  ALA    11      -0.430 -10.007  13.897          0.012
+ATOM     21  CB  ALA    11      -0.122 -10.317  14.495          0.024
+ATOM     22  CA  ALA    12      -0.565  -6.201  13.718          0.059
+ATOM     23  CB  ALA    12      -0.223  -5.574  13.599          0.032
+ATOM     24  CA  ALA    13      -4.225  -6.337  12.492          0.029
+ATOM     25  CB  ALA    13      -4.236  -6.042  13.101          0.059
+ATOM     26  CA  CYS    14      -5.301  -3.780   9.943          0.012
+ATOM     27  CB  CYS    14      -4.732  -3.984   8.862          0.008
+ATOM     28  CA  ALA    15      -8.878  -4.092   8.586          0.028
+ATOM     29  CB  ALA    15      -9.394  -4.453   9.128          0.072
+ATOM     30  CA  ALA    16      -8.939  -0.442   7.501          0.045
+ATOM     31  CB  ALA    16      -8.857  -0.019   8.108          0.060
+ATOM     32  CA  ALA    17      -7.783   1.085   4.249          0.073
+ATOM     33  CB  ALA    17      -8.096   0.943   3.590          0.040
+ATOM     34  CA  GLY    18      -8.338   4.785   4.834          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  569.57                                       ENERGY    -2.47057E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -4.488  -4.864  -2.047          0.006
+ATOM      2  CA  ALA     2      -2.257  -2.614  -0.060          0.019
+ATOM      3  CB  ALA     2      -2.328  -2.423   0.685          0.067
+ATOM      4  CA  ALA     3       0.848  -4.641   0.737          0.024
+ATOM      5  CB  ALA     3       1.342  -4.784   0.146          0.007
+ATOM      6  CA  ALA     4       1.455  -2.522   3.742          0.033
+ATOM      7  CB  ALA     4       1.655  -1.891   3.592          0.084
+ATOM      8  CA  CYS     5      -1.618  -3.984   5.472          0.051
+ATOM      9  CB  CYS     5      -2.760  -3.503   5.413          0.171
+ATOM     10  CA  ALA     6      -0.441  -7.442   4.491          0.064
+ATOM     11  CB  ALA     6      -0.155  -7.550   3.870          0.044
+ATOM     12  CA  ALA     7       2.475  -6.843   6.786          0.045
+ATOM     13  CB  ALA     7       3.075  -6.356   6.676          0.051
+ATOM     14  CA  ALA     8       0.245  -5.356   9.454          0.011
+ATOM     15  CB  ALA     8      -0.298  -4.882   9.732          0.016
+ATOM     16  CA  ALA     9      -1.844  -8.454   9.540          0.017
+ATOM     17  CB  ALA     9      -1.981  -9.094   9.092          0.223
+ATOM     18  CA  ALA    10       0.956 -10.497  11.027          0.010
+ATOM     19  CB  ALA    10       1.385 -10.096  10.655          0.026
+ATOM     20  CA  ALA    11      -0.256  -9.968  14.658          0.015
+ATOM     21  CB  ALA    11      -0.060 -10.517  15.193          0.060
+ATOM     22  CA  ALA    12      -0.363  -6.292  14.224          0.011
+ATOM     23  CB  ALA    12       0.213  -5.771  14.242          0.193
+ATOM     24  CA  ALA    13      -3.932  -5.801  12.812          0.006
+ATOM     25  CB  ALA    13      -4.355  -5.561  13.403          0.064
+ATOM     26  CA  CYS    14      -4.934  -3.831   9.687          0.002
+ATOM     27  CB  CYS    14      -4.507  -4.421   8.705          0.016
+ATOM     28  CA  ALA    15      -8.513  -4.213   8.684          0.036
+ATOM     29  CB  ALA    15      -9.155  -4.409   8.871          0.058
+ATOM     30  CA  ALA    16      -8.512  -0.647   7.499          0.043
+ATOM     31  CB  ALA    16      -7.931  -0.141   7.601          0.058
+ATOM     32  CA  ALA    17      -7.946   0.249   3.842          0.013
+ATOM     33  CB  ALA    17      -8.282  -0.108   3.271          0.071
+ATOM     34  CA  GLY    18      -7.862   3.831   5.111          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  574.57                                       ENERGY    -2.91219E+01
+ATOM      1  CA  GLY     1      -4.558  -4.447  -2.586          0.013
+ATOM      2  CA  ALA     2      -2.567  -2.853   0.169          0.008
+ATOM      3  CB  ALA     2      -3.105  -2.716   0.657          0.058
+ATOM      4  CA  ALA     3       0.798  -4.408   0.959          0.002
+ATOM      5  CB  ALA     3       1.357  -4.634   0.585          0.087
+ATOM      6  CA  ALA     4       1.634  -1.756   3.605          0.033
+ATOM      7  CB  ALA     4       1.496  -1.044   3.912          0.026
+ATOM      8  CA  CYS     5      -1.320  -2.939   5.714          0.087
+ATOM      9  CB  CYS     5      -2.285  -2.266   5.351          0.076
+ATOM     10  CA  ALA     6      -1.347  -6.431   4.149          0.126
+ATOM     11  CB  ALA     6      -1.269  -6.483   3.391          0.080
+ATOM     12  CA  ALA     7       1.700  -7.582   6.100          0.008
+ATOM     13  CB  ALA     7       2.373  -7.830   6.135          0.038
+ATOM     14  CA  ALA     8       0.417  -5.688   9.201          0.051
+ATOM     15  CB  ALA     8       0.591  -5.028   9.364          0.025
+ATOM     16  CA  ALA     9      -1.794  -8.610  10.183          0.025
+ATOM     17  CB  ALA     9      -2.259  -9.181  10.083          0.030
+ATOM     18  CA  ALA    10       1.228 -10.600  11.407          0.016
+ATOM     19  CB  ALA    10       1.652  -9.999  11.189          0.187
+ATOM     20  CA  ALA    11      -0.181 -10.440  14.859          0.007
+ATOM     21  CB  ALA    11      -0.335 -10.529  15.627          0.097
+ATOM     22  CA  ALA    12      -0.526  -6.646  14.544          0.019
+ATOM     23  CB  ALA    12      -0.037  -6.338  14.012          0.090
+ATOM     24  CA  ALA    13      -3.925  -5.335  13.390          0.001
+ATOM     25  CB  ALA    13      -4.420  -5.058  13.883          0.079
+ATOM     26  CA  CYS    14      -4.651  -4.368   9.789          0.014
+ATOM     27  CB  CYS    14      -4.086  -5.076   8.957          0.006
+ATOM     28  CA  ALA    15      -8.232  -4.460   8.554          0.072
+ATOM     29  CB  ALA    15      -8.675  -4.770   9.077          0.049
+ATOM     30  CA  ALA    16      -8.123  -0.970   7.220          0.009
+ATOM     31  CB  ALA    16      -7.806  -0.763   7.821          0.014
+ATOM     32  CA  ALA    17      -7.928  -0.075   3.525          0.063
+ATOM     33  CB  ALA    17      -8.520  -0.276   3.116          0.034
+ATOM     34  CA  GLY    18      -7.417   3.652   2.963          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  579.57                                       ENERGY    -2.15091E+01
+ATOM      1  CA  GLY     1      -4.260  -3.715  -3.010          0.046
+ATOM      2  CA  ALA     2      -2.833  -2.643   0.386          0.012
+ATOM      3  CB  ALA     2      -2.686  -2.366   1.065          0.107
+ATOM      4  CA  ALA     3       0.567  -4.209   1.077          0.017
+ATOM      5  CB  ALA     3       1.149  -4.204   0.572          0.080
+ATOM      6  CA  ALA     4       1.389  -1.534   3.589          0.010
+ATOM      7  CB  ALA     4       1.699  -1.332   2.927          0.010
+ATOM      8  CA  CYS     5      -1.119  -2.609   6.105          0.011
+ATOM      9  CB  CYS     5      -2.154  -1.919   5.740          0.007
+ATOM     10  CA  ALA     6      -2.303  -5.887   4.599          0.012
+ATOM     11  CB  ALA     6      -2.627  -5.875   3.936          0.097
+ATOM     12  CA  ALA     7       1.066  -7.422   5.530          0.031
+ATOM     13  CB  ALA     7       1.484  -7.311   4.981          0.072
+ATOM     14  CA  ALA     8       0.713  -6.250   9.082          0.034
+ATOM     15  CB  ALA     8       0.702  -5.544   9.346          0.023
+ATOM     16  CA  ALA     9      -1.519  -9.281   9.750          0.053
+ATOM     17  CB  ALA     9      -1.879  -9.777   9.470          0.065
+ATOM     18  CA  ALA    10       1.289 -10.662  11.927          0.006
+ATOM     19  CB  ALA    10       2.002 -10.716  11.936          0.105
+ATOM     20  CA  ALA    11      -0.327 -10.238  15.334          0.003
+ATOM     21  CB  ALA    11       0.175 -10.647  15.687          0.171
+ATOM     22  CA  ALA    12      -0.529  -6.425  14.841          0.006
+ATOM     23  CB  ALA    12      -0.166  -6.480  14.208          0.082
+ATOM     24  CA  ALA    13      -4.039  -5.543  13.741          0.018
+ATOM     25  CB  ALA    13      -4.367  -5.163  14.255          0.047
+ATOM     26  CA  CYS    14      -4.613  -4.220  10.297          0.004
+ATOM     27  CB  CYS    14      -4.053  -4.971   9.496          0.040
+ATOM     28  CA  ALA    15      -7.921  -4.710   8.529          0.050
+ATOM     29  CB  ALA    15      -8.584  -4.915   8.828          0.049
+ATOM     30  CA  ALA    16      -7.817  -1.250   6.944          0.039
+ATOM     31  CB  ALA    16      -7.254  -1.065   7.328          0.006
+ATOM     32  CA  ALA    17      -7.715  -0.064   3.344          0.041
+ATOM     33  CB  ALA    17      -8.376  -0.343   3.060          0.010
+ATOM     34  CA  GLY    18      -7.086   2.767   0.766          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  584.57                                       ENERGY    -2.26886E+01
+ATOM      1  CA  GLY     1      -4.263  -3.314  -2.815          0.007
+ATOM      2  CA  ALA     2      -2.595  -1.613   0.142          0.042
+ATOM      3  CB  ALA     2      -3.239  -1.396   0.452          0.129
+ATOM      4  CA  ALA     3      -0.320  -4.348   1.235          0.005
+ATOM      5  CB  ALA     3      -0.089  -4.839   0.854          0.067
+ATOM      6  CA  ALA     4       1.565  -2.254   3.925          0.044
+ATOM      7  CB  ALA     4       1.472  -1.548   4.096          0.047
+ATOM      8  CA  CYS     5      -1.392  -2.261   6.219          0.040
+ATOM      9  CB  CYS     5      -2.187  -1.633   5.456          0.018
+ATOM     10  CA  ALA     6      -2.811  -5.656   5.078          0.014
+ATOM     11  CB  ALA     6      -2.845  -5.424   4.362          0.035
+ATOM     12  CA  ALA     7       0.666  -7.241   5.157          0.034
+ATOM     13  CB  ALA     7       1.106  -6.776   4.782          0.005
+ATOM     14  CA  ALA     8       1.077  -6.500   8.831          0.005
+ATOM     15  CB  ALA     8       0.973  -6.041   9.325          0.112
+ATOM     16  CA  ALA     9      -0.987  -9.586   9.567          0.036
+ATOM     17  CB  ALA     9      -1.071 -10.202   9.116          0.100
+ATOM     18  CA  ALA    10       1.502 -10.924  12.102          0.033
+ATOM     19  CB  ALA    10       2.046 -10.606  11.710          0.033
+ATOM     20  CA  ALA    11      -0.054 -10.388  15.550          0.010
+ATOM     21  CB  ALA    11      -0.381 -10.018  16.133          0.077
+ATOM     22  CA  ALA    12      -0.478  -6.621  14.954          0.018
+ATOM     23  CB  ALA    12       0.069  -6.338  14.495          0.078
+ATOM     24  CA  ALA    13      -4.087  -6.011  13.866          0.007
+ATOM     25  CB  ALA    13      -4.157  -5.564  14.480          0.128
+ATOM     26  CA  CYS    14      -5.032  -4.135  10.656          0.044
+ATOM     27  CB  CYS    14      -4.133  -4.607   9.894          0.015
+ATOM     28  CA  ALA    15      -7.917  -4.279   8.140          0.037
+ATOM     29  CB  ALA    15      -8.609  -4.295   8.458          0.020
+ATOM     30  CA  ALA    16      -6.968  -0.971   6.556          0.036
+ATOM     31  CB  ALA    16      -6.336  -1.014   7.038          0.079
+ATOM     32  CA  ALA    17      -7.686  -1.007   2.792          0.035
+ATOM     33  CB  ALA    17      -8.304  -1.131   2.495          0.059
+ATOM     34  CA  GLY    18      -6.628   1.882   0.595          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  589.57                                       ENERGY    -2.53253E+01
+ATOM      1  CA  GLY     1      -4.101  -2.415  -2.851          0.132
+ATOM      2  CA  ALA     2      -1.965  -0.793  -0.150          0.025
+ATOM      3  CB  ALA     2      -2.203  -0.254   0.179          0.082
+ATOM      4  CA  ALA     3      -1.395  -4.285   1.329          0.019
+ATOM      5  CB  ALA     3      -1.032  -4.790   1.013          0.098
+ATOM      6  CA  ALA     4       1.246  -2.849   3.629          0.020
+ATOM      7  CB  ALA     4       1.625  -2.376   3.242          0.088
+ATOM      8  CA  CYS     5      -1.770  -2.423   5.983          0.055
+ATOM      9  CB  CYS     5      -2.542  -1.715   5.286          0.046
+ATOM     10  CA  ALA     6      -2.753  -5.982   5.319          0.042
+ATOM     11  CB  ALA     6      -3.152  -6.533   5.014          0.139
+ATOM     12  CA  ALA     7       0.890  -6.963   5.327          0.024
+ATOM     13  CB  ALA     7       1.158  -6.714   4.709          0.015
+ATOM     14  CA  ALA     8       1.097  -6.397   9.036          0.021
+ATOM     15  CB  ALA     8       0.901  -5.886   9.499          0.047
+ATOM     16  CA  ALA     9      -0.827  -9.673   9.569          0.038
+ATOM     17  CB  ALA     9      -0.788 -10.225   9.170          0.007
+ATOM     18  CA  ALA    10       1.605 -10.666  12.383          0.007
+ATOM     19  CB  ALA    10       2.048 -10.158  12.675          0.062
+ATOM     20  CA  ALA    11      -0.192 -10.110  15.643          0.008
+ATOM     21  CB  ALA    11      -0.020 -10.858  15.545          0.144
+ATOM     22  CA  ALA    12      -0.378  -6.376  14.772          0.020
+ATOM     23  CB  ALA    12       0.042  -6.030  14.281          0.042
+ATOM     24  CA  ALA    13      -4.025  -6.331  13.766          0.025
+ATOM     25  CB  ALA    13      -4.657  -6.318  14.064          0.079
+ATOM     26  CA  CYS    14      -5.031  -4.150  10.797          0.022
+ATOM     27  CB  CYS    14      -4.138  -4.508  10.036          0.002
+ATOM     28  CA  ALA    15      -8.016  -3.760   8.503          0.008
+ATOM     29  CB  ALA    15      -8.646  -3.469   8.556          0.095
+ATOM     30  CA  ALA    16      -6.711  -0.965   6.243          0.047
+ATOM     31  CB  ALA    16      -6.285  -1.137   6.813          0.059
+ATOM     32  CA  ALA    17      -7.050  -1.716   2.533          0.028
+ATOM     33  CB  ALA    17      -7.716  -2.101   2.391          0.118
+ATOM     34  CA  GLY    18      -6.986   1.834   1.290          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  594.57                                       ENERGY    -2.05554E+01
+ATOM      1  CA  GLY     1      -3.971  -0.200  -3.788          0.116
+ATOM      2  CA  ALA     2      -1.451  -0.447  -0.876          0.005
+ATOM      3  CB  ALA     2      -1.245  -0.146  -0.254          0.034
+ATOM      4  CA  ALA     3      -1.957  -3.930   0.559          0.055
+ATOM      5  CB  ALA     3      -2.002  -4.297  -0.004          0.149
+ATOM      6  CA  ALA     4       0.905  -3.291   2.952          0.031
+ATOM      7  CB  ALA     4       1.269  -2.640   3.054          0.046
+ATOM      8  CA  CYS     5      -1.622  -2.908   5.782          0.012
+ATOM      9  CB  CYS     5      -2.310  -2.112   5.054          0.005
+ATOM     10  CA  ALA     6      -2.725  -6.477   5.406          0.040
+ATOM     11  CB  ALA     6      -3.003  -6.685   4.810          0.074
+ATOM     12  CA  ALA     7       1.002  -7.484   5.582          0.006
+ATOM     13  CB  ALA     7       1.466  -7.127   5.267          0.115
+ATOM     14  CA  ALA     8       1.175  -6.185   9.199          0.019
+ATOM     15  CB  ALA     8       1.053  -5.984   9.859          0.023
+ATOM     16  CA  ALA     9      -0.889  -9.077  10.507          0.052
+ATOM     17  CB  ALA     9      -1.037  -9.699  10.088          0.015
+ATOM     18  CA  ALA    10       2.120 -10.378  12.536          0.041
+ATOM     19  CB  ALA    10       2.883 -10.367  12.335          0.047
+ATOM     20  CA  ALA    11      -0.128 -10.149  15.602          0.005
+ATOM     21  CB  ALA    11      -0.763 -10.205  16.048          0.175
+ATOM     22  CA  ALA    12      -0.811  -6.461  14.880          0.004
+ATOM     23  CB  ALA    12      -0.187  -6.295  14.733          0.008
+ATOM     24  CA  ALA    13      -4.281  -6.636  13.345          0.005
+ATOM     25  CB  ALA    13      -4.476  -7.075  13.796          0.033
+ATOM     26  CA  CYS    14      -4.872  -4.086  10.630          0.001
+ATOM     27  CB  CYS    14      -3.999  -4.496   9.920          0.004
+ATOM     28  CA  ALA    15      -8.409  -3.539   9.278          0.021
+ATOM     29  CB  ALA    15      -9.057  -3.634   9.624          0.003
+ATOM     30  CA  ALA    16      -6.999  -1.115   6.601          0.002
+ATOM     31  CB  ALA    16      -6.681  -0.522   6.326          0.049
+ATOM     32  CA  ALA    17      -6.841  -2.106   2.950          0.028
+ATOM     33  CB  ALA    17      -7.256  -2.484   2.488          0.097
+ATOM     34  CA  GLY    18      -6.871   1.512   1.699          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  599.57                                       ENERGY    -1.99014E+01
+ATOM      1  CA  GLY     1      -2.705   2.045  -4.296          0.035
+ATOM      2  CA  ALA     2      -1.665  -0.128  -1.314          0.046
+ATOM      3  CB  ALA     2      -1.554   0.324  -0.718          0.003
+ATOM      4  CA  ALA     3      -2.221  -3.643  -0.012          0.058
+ATOM      5  CB  ALA     3      -2.560  -4.274  -0.366          0.043
+ATOM      6  CA  ALA     4       0.800  -3.563   2.259          0.009
+ATOM      7  CB  ALA     4       1.458  -3.384   2.240          0.076
+ATOM      8  CA  CYS     5      -1.320  -3.195   5.371          0.026
+ATOM      9  CB  CYS     5      -2.336  -2.524   5.171          0.025
+ATOM     10  CA  ALA     6      -2.254  -6.887   5.260          0.023
+ATOM     11  CB  ALA     6      -2.639  -7.069   4.618          0.051
+ATOM     12  CA  ALA     7       1.278  -7.698   6.080          0.046
+ATOM     13  CB  ALA     7       1.618  -7.536   5.424          0.002
+ATOM     14  CA  ALA     8       0.899  -6.222   9.461          0.009
+ATOM     15  CB  ALA     8       0.801  -5.506   9.386          0.039
+ATOM     16  CA  ALA     9      -1.194  -9.186  10.530          0.013
+ATOM     17  CB  ALA     9      -1.499  -9.421   9.841          0.013
+ATOM     18  CA  ALA    10       1.774 -10.483  12.628          0.020
+ATOM     19  CB  ALA    10       2.135  -9.869  12.910          0.106
+ATOM     20  CA  ALA    11      -0.026 -10.165  15.963          0.033
+ATOM     21  CB  ALA    11       0.674  -9.956  16.222          0.033
+ATOM     22  CA  ALA    12      -0.820  -6.441  15.611          0.012
+ATOM     23  CB  ALA    12      -0.718  -5.900  15.046          0.143
+ATOM     24  CA  ALA    13      -3.773  -6.857  13.198          0.013
+ATOM     25  CB  ALA    13      -4.482  -6.846  13.335          0.074
+ATOM     26  CA  CYS    14      -4.979  -4.064  10.917          0.004
+ATOM     27  CB  CYS    14      -4.139  -4.491  10.067          0.004
+ATOM     28  CA  ALA    15      -8.311  -3.839   9.130          0.018
+ATOM     29  CB  ALA    15      -8.934  -3.582   9.388          0.030
+ATOM     30  CA  ALA    16      -7.616  -0.862   6.823          0.010
+ATOM     31  CB  ALA    16      -7.206  -0.276   7.114          0.049
+ATOM     32  CA  ALA    17      -7.034  -2.379   3.354          0.020
+ATOM     33  CB  ALA    17      -7.289  -3.095   3.330          0.044
+ATOM     34  CA  GLY    18      -6.128   0.962   1.687          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  604.57                                       ENERGY    -1.80498E+01
+ATOM      1  CA  GLY     1      -1.819   2.926  -4.035          0.032
+ATOM      2  CA  ALA     2      -1.231   0.305  -1.253          0.023
+ATOM      3  CB  ALA     2      -1.436   0.403  -0.533          0.035
+ATOM      4  CA  ALA     3      -2.489  -3.159  -0.373          0.023
+ATOM      5  CB  ALA     3      -2.551  -3.906  -0.558          0.039
+ATOM      6  CA  ALA     4       0.632  -4.024   1.677          0.016
+ATOM      7  CB  ALA     4       1.031  -3.526   1.245          0.051
+ATOM      8  CA  CYS     5      -1.146  -3.490   4.969          0.014
+ATOM      9  CB  CYS     5      -2.117  -2.750   4.870          0.024
+ATOM     10  CA  ALA     6      -2.129  -7.139   4.886          0.030
+ATOM     11  CB  ALA     6      -2.189  -7.771   4.426          0.021
+ATOM     12  CA  ALA     7       1.378  -7.935   6.141          0.027
+ATOM     13  CB  ALA     7       2.187  -7.965   6.173          0.077
+ATOM     14  CA  ALA     8       0.597  -6.006   9.259          0.022
+ATOM     15  CB  ALA     8       0.544  -5.333   8.905          0.084
+ATOM     16  CA  ALA     9      -1.371  -8.907  10.537          0.019
+ATOM     17  CB  ALA     9      -1.874  -9.347  10.182          0.107
+ATOM     18  CA  ALA    10       1.583 -10.002  12.745          0.036
+ATOM     19  CB  ALA    10       1.832  -9.989  12.111          0.016
+ATOM     20  CA  ALA    11       0.033  -9.766  16.193          0.012
+ATOM     21  CB  ALA    11       0.590  -9.826  16.594          0.035
+ATOM     22  CA  ALA    12      -0.821  -6.115  15.648          0.028
+ATOM     23  CB  ALA    12      -0.161  -6.195  15.259          0.005
+ATOM     24  CA  ALA    13      -3.981  -6.517  13.446          0.002
+ATOM     25  CB  ALA    13      -4.532  -6.515  13.991          0.107
+ATOM     26  CA  CYS    14      -5.116  -4.197  10.718          0.001
+ATOM     27  CB  CYS    14      -4.368  -4.393   9.689          0.022
+ATOM     28  CA  ALA    15      -8.455  -4.232   8.997          0.002
+ATOM     29  CB  ALA    15      -9.103  -4.255   9.297          0.159
+ATOM     30  CA  ALA    16      -7.646  -0.856   7.436          0.009
+ATOM     31  CB  ALA    16      -6.948  -0.656   7.381          0.051
+ATOM     32  CA  ALA    17      -6.916  -2.743   4.231          0.007
+ATOM     33  CB  ALA    17      -7.534  -2.867   3.752          0.093
+ATOM     34  CA  GLY    18      -6.292   0.361   2.200          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  609.57                                       ENERGY    -2.49866E+01
+ATOM      1  CA  GLY     1      -1.910   3.138  -3.510          0.005
+ATOM      2  CA  ALA     2      -0.818   0.503  -0.887          0.019
+ATOM      3  CB  ALA     2      -0.377   0.683  -0.299          0.026
+ATOM      4  CA  ALA     3      -2.373  -2.945  -0.577          0.035
+ATOM      5  CB  ALA     3      -2.636  -3.034  -1.299          0.028
+ATOM      6  CA  ALA     4       0.752  -4.202   1.216          0.043
+ATOM      7  CB  ALA     4       1.373  -3.737   1.220          0.095
+ATOM      8  CA  CYS     5      -1.032  -3.964   4.501          0.044
+ATOM      9  CB  CYS     5      -2.046  -3.166   4.537          0.030
+ATOM     10  CA  ALA     6      -1.790  -7.604   4.627          0.024
+ATOM     11  CB  ALA     6      -2.079  -7.881   3.937          0.022
+ATOM     12  CA  ALA     7       1.453  -8.401   6.445          0.035
+ATOM     13  CB  ALA     7       2.210  -8.260   6.443          0.023
+ATOM     14  CA  ALA     8       0.411  -5.810   9.075          0.048
+ATOM     15  CB  ALA     8      -0.025  -5.199   9.010          0.085
+ATOM     16  CA  ALA     9      -1.657  -8.513  10.830          0.046
+ATOM     17  CB  ALA     9      -2.076  -9.077  10.859          0.054
+ATOM     18  CA  ALA    10       1.510 -10.148  12.217          0.017
+ATOM     19  CB  ALA    10       2.149  -9.815  12.345          0.139
+ATOM     20  CA  ALA    11       0.089  -9.682  15.711          0.021
+ATOM     21  CB  ALA    11       0.035 -10.077  16.380          0.075
+ATOM     22  CA  ALA    12      -0.356  -6.007  15.083          0.016
+ATOM     23  CB  ALA    12      -0.231  -5.420  14.620          0.185
+ATOM     24  CA  ALA    13      -4.084  -5.783  14.247          0.099
+ATOM     25  CB  ALA    13      -4.482  -5.708  14.908          0.079
+ATOM     26  CA  CYS    14      -5.026  -4.426  10.878          0.005
+ATOM     27  CB  CYS    14      -4.618  -4.888   9.836          0.047
+ATOM     28  CA  ALA    15      -8.559  -4.401   9.504          0.023
+ATOM     29  CB  ALA    15      -9.085  -4.278   9.929          0.138
+ATOM     30  CA  ALA    16      -7.770  -1.341   7.336          0.004
+ATOM     31  CB  ALA    16      -7.344  -0.753   7.456          0.077
+ATOM     32  CA  ALA    17      -6.991  -2.616   3.872          0.022
+ATOM     33  CB  ALA    17      -7.245  -3.272   4.095          0.025
+ATOM     34  CA  GLY    18      -7.177   0.821   2.323          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  614.57                                       ENERGY    -1.44513E+01
+ATOM      1  CA  GLY     1      -2.501   3.286  -2.583          0.038
+ATOM      2  CA  ALA     2       0.015   0.924  -0.869          0.010
+ATOM      3  CB  ALA     2       0.290   1.073  -0.221          0.030
+ATOM      4  CA  ALA     3      -1.759  -2.444  -0.535          0.007
+ATOM      5  CB  ALA     3      -2.279  -2.763  -0.888          0.088
+ATOM      6  CA  ALA     4       0.886  -4.708   1.129          0.018
+ATOM      7  CB  ALA     4       1.624  -4.963   1.091          0.034
+ATOM      8  CA  CYS     5      -1.049  -4.159   4.376          0.035
+ATOM      9  CB  CYS     5      -2.023  -3.389   4.551          0.005
+ATOM     10  CA  ALA     6      -1.618  -7.941   4.728          0.009
+ATOM     11  CB  ALA     6      -1.557  -8.526   4.320          0.032
+ATOM     12  CA  ALA     7       1.503  -8.409   6.790          0.030
+ATOM     13  CB  ALA     7       1.948  -8.064   6.294          0.045
+ATOM     14  CA  ALA     8       0.001  -5.997   9.230          0.008
+ATOM     15  CB  ALA     8       0.002  -5.496   8.708          0.038
+ATOM     16  CA  ALA     9      -1.968  -8.950  10.434          0.055
+ATOM     17  CB  ALA     9      -1.875  -9.744  10.156          0.045
+ATOM     18  CA  ALA    10       1.398  -9.810  11.892          0.024
+ATOM     19  CB  ALA    10       2.091  -9.577  11.635          0.068
+ATOM     20  CA  ALA    11      -0.161  -9.516  15.321          0.003
+ATOM     21  CB  ALA    11       0.305  -9.910  15.754          0.077
+ATOM     22  CA  ALA    12      -0.097  -5.709  14.978          0.043
+ATOM     23  CB  ALA    12       0.285  -5.248  14.649          0.026
+ATOM     24  CA  ALA    13      -3.844  -5.162  14.539          0.031
+ATOM     25  CB  ALA    13      -4.185  -5.153  15.181          0.011
+ATOM     26  CA  CYS    14      -5.233  -4.175  11.159          0.013
+ATOM     27  CB  CYS    14      -4.731  -4.694  10.230          0.057
+ATOM     28  CA  ALA    15      -8.813  -4.223   9.879          0.031
+ATOM     29  CB  ALA    15      -9.461  -4.003  10.138          0.077
+ATOM     30  CA  ALA    16      -8.069  -1.558   7.323          0.015
+ATOM     31  CB  ALA    16      -7.603  -1.067   7.627          0.048
+ATOM     32  CA  ALA    17      -7.216  -2.778   3.786          0.038
+ATOM     33  CB  ALA    17      -7.045  -3.091   3.188          0.007
+ATOM     34  CA  GLY    18      -8.554   0.400   2.179          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  619.57                                       ENERGY    -1.39834E+01
+ATOM      1  CA  GLY     1      -2.352   3.687  -1.867          0.013
+ATOM      2  CA  ALA     2       0.285   1.113  -0.643          0.009
+ATOM      3  CB  ALA     2       0.842   1.378  -0.256          0.009
+ATOM      4  CA  ALA     3      -1.425  -2.274  -0.384          0.035
+ATOM      5  CB  ALA     3      -1.289  -2.259  -1.116          0.015
+ATOM      6  CA  ALA     4       0.451  -5.086   1.365          0.006
+ATOM      7  CB  ALA     4       1.196  -4.927   1.311          0.088
+ATOM      8  CA  CYS     5      -1.265  -4.666   4.675          0.035
+ATOM      9  CB  CYS     5      -2.160  -3.824   4.792          0.023
+ATOM     10  CA  ALA     6      -1.291  -8.521   4.881          0.039
+ATOM     11  CB  ALA     6      -1.664  -8.964   4.450          0.014
+ATOM     12  CA  ALA     7       1.918  -8.387   6.863          0.029
+ATOM     13  CB  ALA     7       2.457  -8.134   6.472          0.006
+ATOM     14  CA  ALA     8       0.177  -5.930   9.246          0.036
+ATOM     15  CB  ALA     8      -0.245  -5.281   9.459          0.009
+ATOM     16  CA  ALA     9      -1.953  -8.948  10.265          0.029
+ATOM     17  CB  ALA     9      -2.553  -8.964   9.869          0.158
+ATOM     18  CA  ALA    10       1.456 -10.056  11.717          0.004
+ATOM     19  CB  ALA    10       1.895  -9.684  11.237          0.098
+ATOM     20  CA  ALA    11       0.092  -9.584  15.231          0.023
+ATOM     21  CB  ALA    11       0.544  -9.669  15.792          0.013
+ATOM     22  CA  ALA    12       0.140  -5.837  14.597          0.007
+ATOM     23  CB  ALA    12       0.647  -5.355  14.326          0.079
+ATOM     24  CA  ALA    13      -3.599  -5.084  14.138          0.035
+ATOM     25  CB  ALA    13      -3.720  -4.935  14.852          0.006
+ATOM     26  CA  CYS    14      -5.460  -3.625  11.153          0.017
+ATOM     27  CB  CYS    14      -4.907  -4.079  10.060          0.008
+ATOM     28  CA  ALA    15      -9.053  -3.917  10.072          0.002
+ATOM     29  CB  ALA    15      -9.516  -3.996  10.704          0.030
+ATOM     30  CA  ALA    16      -8.323  -1.852   7.054          0.049
+ATOM     31  CB  ALA    16      -7.577  -1.602   7.086          0.062
+ATOM     32  CA  ALA    17      -7.507  -2.753   3.424          0.026
+ATOM     33  CB  ALA    17      -7.707  -3.450   3.337          0.125
+ATOM     34  CA  GLY    18      -9.599   0.116   2.043          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  624.57                                       ENERGY    -2.15807E+01
+ATOM      1  CA  GLY     1      -1.554   4.519  -1.633          0.024
+ATOM      2  CA  ALA     2       0.321   1.378  -0.345          0.059
+ATOM      3  CB  ALA     2       0.769   1.390   0.240          0.013
+ATOM      4  CA  ALA     3      -1.058  -2.133   0.166          0.048
+ATOM      5  CB  ALA     3      -1.583  -2.467  -0.334          0.163
+ATOM      6  CA  ALA     4       0.691  -5.208   1.681          0.028
+ATOM      7  CB  ALA     4       1.386  -5.195   1.313          0.033
+ATOM      8  CA  CYS     5      -1.634  -4.824   4.676          0.019
+ATOM      9  CB  CYS     5      -2.763  -4.300   4.726          0.005
+ATOM     10  CA  ALA     6      -1.485  -8.577   5.600          0.013
+ATOM     11  CB  ALA     6      -1.127  -9.050   5.127          0.087
+ATOM     12  CA  ALA     7       2.040  -8.123   7.047          0.048
+ATOM     13  CB  ALA     7       2.705  -8.333   6.702          0.083
+ATOM     14  CA  ALA     8       0.585  -5.461   9.306          0.009
+ATOM     15  CB  ALA     8       0.450  -4.738   9.430          0.058
+ATOM     16  CA  ALA     9      -1.883  -8.085  10.496          0.013
+ATOM     17  CB  ALA     9      -2.223  -8.650  10.060          0.118
+ATOM     18  CA  ALA    10       0.701 -10.656  11.567          0.018
+ATOM     19  CB  ALA    10       1.382 -10.646  11.260          0.039
+ATOM     20  CA  ALA    11       0.651  -9.467  15.148          0.012
+ATOM     21  CB  ALA    11       1.156  -9.805  15.532          0.036
+ATOM     22  CA  ALA    12       0.320  -5.805  14.070          0.031
+ATOM     23  CB  ALA    12       0.553  -6.172  13.459          0.008
+ATOM     24  CA  ALA    13      -3.385  -4.970  13.901          0.019
+ATOM     25  CB  ALA    13      -3.876  -4.674  14.393          0.057
+ATOM     26  CA  CYS    14      -5.024  -3.734  10.733          0.025
+ATOM     27  CB  CYS    14      -4.438  -4.382   9.793          0.059
+ATOM     28  CA  ALA    15      -8.805  -3.553  10.063          0.003
+ATOM     29  CB  ALA    15      -9.461  -3.198  10.155          0.114
+ATOM     30  CA  ALA    16      -8.516  -1.636   6.818          0.014
+ATOM     31  CB  ALA    16      -8.363  -0.957   6.806          0.045
+ATOM     32  CA  ALA    17      -8.696  -3.442   3.402          0.040
+ATOM     33  CB  ALA    17      -9.203  -3.963   3.130          0.245
+ATOM     34  CA  GLY    18      -9.804  -0.285   1.739          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  629.56                                       ENERGY    -2.93387E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.328   4.576  -1.455          0.019
+ATOM      2  CA  ALA     2       0.383   1.283   0.178          0.014
+ATOM      3  CB  ALA     2       0.795   1.541   0.808          0.046
+ATOM      4  CA  ALA     3      -1.574  -1.982   0.800          0.044
+ATOM      5  CB  ALA     3      -2.129  -2.291   0.395          0.178
+ATOM      6  CA  ALA     4       0.422  -4.873   2.185          0.006
+ATOM      7  CB  ALA     4       0.976  -5.197   2.560          0.192
+ATOM      8  CA  CYS     5      -1.958  -5.129   5.135          0.006
+ATOM      9  CB  CYS     5      -2.989  -4.597   4.696          0.095
+ATOM     10  CA  ALA     6      -1.357  -8.805   5.790          0.002
+ATOM     11  CB  ALA     6      -1.220  -9.329   5.308          0.093
+ATOM     12  CA  ALA     7       2.174  -7.992   7.089          0.022
+ATOM     13  CB  ALA     7       2.782  -7.590   6.820          0.120
+ATOM     14  CA  ALA     8       0.761  -5.604   9.644          0.028
+ATOM     15  CB  ALA     8       0.913  -4.893   9.403          0.070
+ATOM     16  CA  ALA     9      -1.904  -8.252  10.275          0.020
+ATOM     17  CB  ALA     9      -2.370  -8.779  10.032          0.220
+ATOM     18  CA  ALA    10       0.892 -10.577  11.157          0.006
+ATOM     19  CB  ALA    10       1.510 -10.735  10.821          0.010
+ATOM     20  CA  ALA    11       0.571  -9.635  14.787          0.002
+ATOM     21  CB  ALA    11       1.127  -9.717  15.272          0.033
+ATOM     22  CA  ALA    12       0.161  -5.947  13.990          0.014
+ATOM     23  CB  ALA    12       0.767  -5.509  13.824          0.027
+ATOM     24  CA  ALA    13      -3.298  -4.501  13.361          0.032
+ATOM     25  CB  ALA    13      -3.344  -3.966  13.829          0.029
+ATOM     26  CA  CYS    14      -4.730  -3.816   9.922          0.151
+ATOM     27  CB  CYS    14      -4.454  -4.472   8.889          0.034
+ATOM     28  CA  ALA    15      -8.486  -3.116   9.863          0.036
+ATOM     29  CB  ALA    15      -8.859  -3.092  10.452          0.032
+ATOM     30  CA  ALA    16      -8.261  -1.415   6.488          0.034
+ATOM     31  CB  ALA    16      -7.572  -1.512   6.137          0.050
+ATOM     32  CA  ALA    17      -9.947  -3.625   3.878          0.034
+ATOM     33  CB  ALA    17     -10.459  -4.147   3.859          0.073
+ATOM     34  CA  GLY    18      -9.729  -1.051   1.087          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  634.56                                       ENERGY    -1.57068E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.306   4.023  -1.218          0.043
+ATOM      2  CA  ALA     2       0.718   0.868   0.849          0.038
+ATOM      3  CB  ALA     2       0.996   0.628   1.510          0.044
+ATOM      4  CA  ALA     3      -2.122  -1.601   1.487          0.063
+ATOM      5  CB  ALA     3      -2.184  -1.636   0.760          0.025
+ATOM      6  CA  ALA     4       0.380  -3.961   2.921          0.002
+ATOM      7  CB  ALA     4       0.961  -4.135   3.304          0.087
+ATOM      8  CA  CYS     5      -2.385  -5.535   5.074          0.016
+ATOM      9  CB  CYS     5      -3.513  -5.163   4.804          0.036
+ATOM     10  CA  ALA     6      -1.069  -9.109   5.380          0.004
+ATOM     11  CB  ALA     6      -1.353  -9.204   4.661          0.041
+ATOM     12  CA  ALA     7       2.262  -7.745   6.526          0.021
+ATOM     13  CB  ALA     7       2.914  -7.425   6.251          0.083
+ATOM     14  CA  ALA     8       0.270  -5.543   8.968          0.079
+ATOM     15  CB  ALA     8      -0.165  -5.291   9.583          0.023
+ATOM     16  CA  ALA     9      -1.941  -8.346  10.289          0.020
+ATOM     17  CB  ALA     9      -1.909  -8.768   9.759          0.087
+ATOM     18  CA  ALA    10       1.119 -10.435  11.331          0.033
+ATOM     19  CB  ALA    10       1.705 -10.228  10.951          0.096
+ATOM     20  CA  ALA    11       0.395  -9.623  14.961          0.010
+ATOM     21  CB  ALA    11       0.872  -9.748  15.510          0.005
+ATOM     22  CA  ALA    12       0.457  -5.904  14.229          0.005
+ATOM     23  CB  ALA    12       0.777  -5.562  13.675          0.054
+ATOM     24  CA  ALA    13      -2.974  -4.524  13.189          0.004
+ATOM     25  CB  ALA    13      -3.166  -3.850  13.372          0.032
+ATOM     26  CA  CYS    14      -4.311  -3.585   9.626          0.015
+ATOM     27  CB  CYS    14      -4.123  -4.628   8.809          0.014
+ATOM     28  CA  ALA    15      -7.991  -2.750   9.668          0.018
+ATOM     29  CB  ALA    15      -8.418  -2.056   9.894          0.056
+ATOM     30  CA  ALA    16      -8.139  -1.613   6.024          0.002
+ATOM     31  CB  ALA    16      -7.391  -1.594   5.932          0.063
+ATOM     32  CA  ALA    17     -10.533  -3.841   4.098          0.034
+ATOM     33  CB  ALA    17     -11.208  -3.798   4.416          0.008
+ATOM     34  CA  GLY    18     -10.005  -2.202   0.661          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  639.56                                       ENERGY    -1.93402E+01
+ATOM      1  CA  GLY     1       0.744   3.793  -0.867          0.005
+ATOM      2  CA  ALA     2       1.218   0.709   1.256          0.023
+ATOM      3  CB  ALA     2       1.592   1.123   1.753          0.068
+ATOM      4  CA  ALA     3      -1.911  -1.367   1.882          0.018
+ATOM      5  CB  ALA     3      -2.434  -1.922   1.684          0.025
+ATOM      6  CA  ALA     4       0.230  -4.055   3.476          0.054
+ATOM      7  CB  ALA     4       0.586  -3.420   3.786          0.079
+ATOM      8  CA  CYS     5      -2.972  -5.623   4.976          0.026
+ATOM      9  CB  CYS     5      -4.098  -5.555   4.555          0.077
+ATOM     10  CA  ALA     6      -1.429  -9.093   5.017          0.004
+ATOM     11  CB  ALA     6      -0.830  -9.335   4.651          0.070
+ATOM     12  CA  ALA     7       1.839  -7.394   5.877          0.041
+ATOM     13  CB  ALA     7       2.146  -6.852   5.535          0.036
+ATOM     14  CA  ALA     8       0.417  -6.185   9.229          0.031
+ATOM     15  CB  ALA     8       0.445  -5.615   8.730          0.039
+ATOM     16  CA  ALA     9      -1.523  -9.339   9.857          0.016
+ATOM     17  CB  ALA     9      -1.860  -9.743   9.291          0.103
+ATOM     18  CA  ALA    10       1.821 -10.221  11.486          0.007
+ATOM     19  CB  ALA    10       2.185  -9.600  11.395          0.032
+ATOM     20  CA  ALA    11       0.086  -9.267  14.754          0.002
+ATOM     21  CB  ALA    11       0.285  -9.399  15.443          0.021
+ATOM     22  CA  ALA    12       0.583  -5.568  13.939          0.027
+ATOM     23  CB  ALA    12       1.209  -5.699  13.661          0.033
+ATOM     24  CA  ALA    13      -2.910  -4.440  13.379          0.014
+ATOM     25  CB  ALA    13      -3.138  -3.986  13.863          0.029
+ATOM     26  CA  CYS    14      -4.666  -3.684  10.090          0.059
+ATOM     27  CB  CYS    14      -4.263  -4.419   9.277          0.066
+ATOM     28  CA  ALA    15      -7.900  -1.754   9.533          0.035
+ATOM     29  CB  ALA    15      -8.195  -1.361  10.071          0.047
+ATOM     30  CA  ALA    16      -7.726  -1.505   5.713          0.009
+ATOM     31  CB  ALA    16      -7.159  -1.816   5.281          0.011
+ATOM     32  CA  ALA    17     -10.411  -3.577   4.019          0.067
+ATOM     33  CB  ALA    17     -11.102  -3.548   4.273          0.061
+ATOM     34  CA  GLY    18     -10.999  -3.921   0.239          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  644.56                                       ENERGY    -2.01606E+01
+ATOM      1  CA  GLY     1       1.115   4.243  -0.973          0.008
+ATOM      2  CA  ALA     2       1.206   1.145   1.270          0.013
+ATOM      3  CB  ALA     2       1.469   1.059   1.985          0.064
+ATOM      4  CA  ALA     3      -1.805  -0.995   2.148          0.020
+ATOM      5  CB  ALA     3      -2.490  -1.005   1.886          0.141
+ATOM      6  CA  ALA     4      -0.225  -3.924   3.901          0.017
+ATOM      7  CB  ALA     4       0.072  -4.078   4.561          0.054
+ATOM      8  CA  CYS     5      -3.168  -5.993   5.117          0.026
+ATOM      9  CB  CYS     5      -4.037  -5.557   4.319          0.029
+ATOM     10  CA  ALA     6      -1.491  -9.364   4.745          0.095
+ATOM     11  CB  ALA     6      -1.638  -9.924   4.373          0.047
+ATOM     12  CA  ALA     7       1.831  -7.838   5.679          0.044
+ATOM     13  CB  ALA     7       2.300  -7.610   5.182          0.147
+ATOM     14  CA  ALA     8       0.234  -6.089   8.667          0.038
+ATOM     15  CB  ALA     8       0.143  -5.411   9.030          0.082
+ATOM     16  CA  ALA     9      -1.354  -9.323   9.723          0.002
+ATOM     17  CB  ALA     9      -1.250  -9.616   9.107          0.021
+ATOM     18  CA  ALA    10       2.007 -10.202  11.322          0.003
+ATOM     19  CB  ALA    10       2.723 -10.154  11.549          0.011
+ATOM     20  CA  ALA    11       0.368  -9.417  14.651          0.019
+ATOM     21  CB  ALA    11       0.615  -9.492  15.310          0.073
+ATOM     22  CA  ALA    12       0.337  -5.609  14.056          0.031
+ATOM     23  CB  ALA    12       0.516  -5.379  13.404          0.024
+ATOM     24  CA  ALA    13      -3.066  -3.965  13.565          0.030
+ATOM     25  CB  ALA    13      -3.164  -3.566  14.209          0.062
+ATOM     26  CA  CYS    14      -4.688  -3.298  10.285          0.030
+ATOM     27  CB  CYS    14      -4.481  -4.444   9.849          0.005
+ATOM     28  CA  ALA    15      -7.916  -1.554   9.285          0.034
+ATOM     29  CB  ALA    15      -7.900  -0.780   9.529          0.002
+ATOM     30  CA  ALA    16      -7.458  -1.507   5.521          0.020
+ATOM     31  CB  ALA    16      -6.771  -1.684   5.583          0.100
+ATOM     32  CA  ALA    17     -10.049  -3.731   3.725          0.030
+ATOM     33  CB  ALA    17     -10.606  -3.453   4.070          0.029
+ATOM     34  CA  GLY    18     -11.358  -5.238   0.497          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  649.56                                       ENERGY    -1.98669E+01
+ATOM      1  CA  GLY     1       1.303   4.796  -0.668          0.020
+ATOM      2  CA  ALA     2       1.061   1.502   1.255          0.015
+ATOM      3  CB  ALA     2       1.766   1.458   1.509          0.076
+ATOM      4  CA  ALA     3      -1.973  -0.388   2.483          0.052
+ATOM      5  CB  ALA     3      -2.349  -0.480   1.915          0.035
+ATOM      6  CA  ALA     4      -0.818  -3.765   3.761          0.016
+ATOM      7  CB  ALA     4      -0.182  -3.917   3.899          0.027
+ATOM      8  CA  CYS     5      -3.253  -6.239   5.245          0.011
+ATOM      9  CB  CYS     5      -4.130  -5.841   4.517          0.087
+ATOM     10  CA  ALA     6      -1.778  -9.704   4.784          0.017
+ATOM     11  CB  ALA     6      -1.794 -10.108   4.110          0.020
+ATOM     12  CA  ALA     7       1.690  -8.353   5.646          0.007
+ATOM     13  CB  ALA     7       1.763  -7.930   5.048          0.050
+ATOM     14  CA  ALA     8       0.528  -6.092   8.483          0.028
+ATOM     15  CB  ALA     8       0.785  -5.500   8.253          0.038
+ATOM     16  CA  ALA     9      -1.479  -9.052   9.892          0.027
+ATOM     17  CB  ALA     9      -2.163  -9.281   9.803          0.055
+ATOM     18  CA  ALA    10       1.755 -10.480  11.368          0.025
+ATOM     19  CB  ALA    10       2.163 -10.000  10.944          0.059
+ATOM     20  CA  ALA    11       0.949  -9.446  14.969          0.017
+ATOM     21  CB  ALA    11       1.466  -9.436  15.545          0.005
+ATOM     22  CA  ALA    12      -0.003  -5.850  14.238          0.020
+ATOM     23  CB  ALA    12       0.076  -6.092  13.569          0.117
+ATOM     24  CA  ALA    13      -3.156  -3.764  13.545          0.017
+ATOM     25  CB  ALA    13      -3.308  -3.097  13.941          0.007
+ATOM     26  CA  CYS    14      -4.945  -3.197  10.266          0.044
+ATOM     27  CB  CYS    14      -4.424  -4.195   9.623          0.014
+ATOM     28  CA  ALA    15      -7.815  -1.033   9.061          0.029
+ATOM     29  CB  ALA    15      -8.002  -0.276   9.185          0.091
+ATOM     30  CA  ALA    16      -6.932  -2.241   5.552          0.026
+ATOM     31  CB  ALA    16      -6.211  -2.190   5.500          0.062
+ATOM     32  CA  ALA    17      -9.953  -4.051   4.218          0.081
+ATOM     33  CB  ALA    17     -10.608  -3.767   4.237          0.014
+ATOM     34  CA  GLY    18      -9.929  -5.513   0.729          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  654.56                                       ENERGY    -2.52007E+01
+ATOM      1  CA  GLY     1       1.074   5.680   0.124          0.040
+ATOM      2  CA  ALA     2       1.132   1.981   0.690          0.010
+ATOM      3  CB  ALA     2       1.631   1.700   1.116          0.044
+ATOM      4  CA  ALA     3      -1.390  -0.131   2.646          0.018
+ATOM      5  CB  ALA     3      -2.184  -0.176   2.528          0.183
+ATOM      6  CA  ALA     4      -1.319  -3.919   3.071          0.026
+ATOM      7  CB  ALA     4      -0.711  -3.565   2.776          0.070
+ATOM      8  CA  CYS     5      -3.464  -6.507   4.894          0.014
+ATOM      9  CB  CYS     5      -4.642  -6.498   4.508          0.024
+ATOM     10  CA  ALA     6      -1.984  -9.796   5.980          0.059
+ATOM     11  CB  ALA     6      -2.159 -10.311   5.486          0.123
+ATOM     12  CA  ALA     7       1.564  -8.522   5.910          0.032
+ATOM     13  CB  ALA     7       2.214  -8.429   5.466          0.018
+ATOM     14  CA  ALA     8       0.566  -5.981   8.621          0.017
+ATOM     15  CB  ALA     8       0.339  -5.362   8.245          0.172
+ATOM     16  CA  ALA     9      -1.735  -8.605  10.198          0.061
+ATOM     17  CB  ALA     9      -2.112  -9.269  10.122          0.020
+ATOM     18  CA  ALA    10       1.343 -10.600  11.095          0.061
+ATOM     19  CB  ALA    10       1.835 -10.419  10.558          0.022
+ATOM     20  CA  ALA    11       0.878  -9.477  14.726          0.013
+ATOM     21  CB  ALA    11       1.207  -9.550  15.397          0.008
+ATOM     22  CA  ALA    12       0.091  -5.850  13.641          0.026
+ATOM     23  CB  ALA    12       0.381  -5.534  12.992          0.080
+ATOM     24  CA  ALA    13      -3.219  -3.948  13.596          0.067
+ATOM     25  CB  ALA    13      -3.397  -3.670  14.247          0.053
+ATOM     26  CA  CYS    14      -4.508  -2.982  10.156          0.009
+ATOM     27  CB  CYS    14      -4.081  -3.982   9.586          0.009
+ATOM     28  CA  ALA    15      -7.590  -1.058   9.081          0.006
+ATOM     29  CB  ALA    15      -7.714  -0.388   9.293          0.055
+ATOM     30  CA  ALA    16      -7.015  -1.810   5.422          0.038
+ATOM     31  CB  ALA    16      -6.384  -1.933   5.016          0.039
+ATOM     32  CA  ALA    17      -9.534  -4.465   4.247          0.018
+ATOM     33  CB  ALA    17     -10.200  -4.576   4.659          0.044
+ATOM     34  CA  GLY    18      -8.827  -5.559   0.625          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  659.56                                       ENERGY    -2.26846E+01
+ATOM      1  CA  GLY     1       1.057   5.867   1.152          0.030
+ATOM      2  CA  ALA     2       0.264   2.204   0.392          0.010
+ATOM      3  CB  ALA     2       0.994   1.939   0.314          0.120
+ATOM      4  CA  ALA     3      -1.302  -0.278   2.793          0.053
+ATOM      5  CB  ALA     3      -1.854  -0.071   3.154          0.123
+ATOM      6  CA  ALA     4      -1.229  -4.100   2.561          0.005
+ATOM      7  CB  ALA     4      -0.882  -4.703   2.348          0.064
+ATOM      8  CA  CYS     5      -3.153  -6.313   4.973          0.038
+ATOM      9  CB  CYS     5      -4.182  -6.500   4.376          0.007
+ATOM     10  CA  ALA     6      -2.211  -9.844   5.954          0.056
+ATOM     11  CB  ALA     6      -2.227 -10.499   5.439          0.159
+ATOM     12  CA  ALA     7       1.375  -8.735   6.555          0.017
+ATOM     13  CB  ALA     7       1.201  -8.366   5.972          0.046
+ATOM     14  CA  ALA     8       0.246  -6.035   8.914          0.005
+ATOM     15  CB  ALA     8       0.095  -5.200   9.103          0.011
+ATOM     16  CA  ALA     9      -2.331  -8.451  10.242          0.035
+ATOM     17  CB  ALA     9      -2.905  -8.669   9.928          0.094
+ATOM     18  CA  ALA    10       0.945 -10.212  11.029          0.013
+ATOM     19  CB  ALA    10       1.454  -9.986  10.464          0.077
+ATOM     20  CA  ALA    11       0.812  -9.276  14.701          0.002
+ATOM     21  CB  ALA    11       1.181  -9.803  15.117          0.014
+ATOM     22  CA  ALA    12       0.696  -5.632  13.669          0.015
+ATOM     23  CB  ALA    12       1.159  -5.161  13.302          0.101
+ATOM     24  CA  ALA    13      -2.793  -4.197  13.214          0.032
+ATOM     25  CB  ALA    13      -2.943  -3.657  13.664          0.021
+ATOM     26  CA  CYS    14      -4.676  -3.524   9.919          0.016
+ATOM     27  CB  CYS    14      -4.275  -4.369   9.084          0.023
+ATOM     28  CA  ALA    15      -7.417  -0.931   9.166          0.004
+ATOM     29  CB  ALA    15      -7.305  -0.265   9.534          0.052
+ATOM     30  CA  ALA    16      -6.900  -1.662   5.485          0.019
+ATOM     31  CB  ALA    16      -6.164  -1.659   5.301          0.042
+ATOM     32  CA  ALA    17      -8.775  -4.811   4.316          0.023
+ATOM     33  CB  ALA    17      -9.448  -4.825   4.522          0.180
+ATOM     34  CA  GLY    18      -8.621  -5.389   0.550          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  664.54                                       ENERGY    -1.72396E+01
+ATOM      1  CA  GLY     1       0.536   5.365   2.300          0.062
+ATOM      2  CA  ALA     2      -0.400   2.288   0.323          0.027
+ATOM      3  CB  ALA     2      -0.146   1.804  -0.151          0.126
+ATOM      4  CA  ALA     3      -1.049  -0.741   2.579          0.004
+ATOM      5  CB  ALA     3      -1.587  -0.844   3.162          0.110
+ATOM      6  CA  ALA     4      -0.872  -4.519   2.370          0.007
+ATOM      7  CB  ALA     4      -0.166  -4.503   2.220          0.098
+ATOM      8  CA  CYS     5      -3.371  -5.584   5.104          0.032
+ATOM      9  CB  CYS     5      -4.215  -6.135   4.418          0.023
+ATOM     10  CA  ALA     6      -2.553  -9.285   5.380          0.015
+ATOM     11  CB  ALA     6      -2.577  -9.726   4.867          0.016
+ATOM     12  CA  ALA     7       1.051  -8.446   6.418          0.012
+ATOM     13  CB  ALA     7       1.804  -8.218   6.253          0.033
+ATOM     14  CA  ALA     8      -0.284  -5.895   8.988          0.008
+ATOM     15  CB  ALA     8      -0.402  -5.134   9.133          0.119
+ATOM     16  CA  ALA     9      -2.418  -8.594  10.468          0.006
+ATOM     17  CB  ALA     9      -3.114  -9.006  10.418          0.043
+ATOM     18  CA  ALA    10       0.633 -10.646  11.516          0.000
+ATOM     19  CB  ALA    10       1.174 -10.347  11.158          0.277
+ATOM     20  CA  ALA    11       0.651  -9.149  15.057          0.023
+ATOM     21  CB  ALA    11       1.277  -9.197  15.577          0.014
+ATOM     22  CA  ALA    12       0.963  -5.675  13.589          0.010
+ATOM     23  CB  ALA    12       1.238  -6.069  13.021          0.035
+ATOM     24  CA  ALA    13      -2.328  -3.924  12.939          0.002
+ATOM     25  CB  ALA    13      -2.588  -3.418  13.418          0.031
+ATOM     26  CA  CYS    14      -4.008  -3.400   9.618          0.011
+ATOM     27  CB  CYS    14      -4.003  -4.452   9.005          0.035
+ATOM     28  CA  ALA    15      -7.345  -1.653   9.245          0.015
+ATOM     29  CB  ALA    15      -7.471  -0.859   9.470          0.032
+ATOM     30  CA  ALA    16      -6.841  -1.419   5.433          0.032
+ATOM     31  CB  ALA    16      -6.267  -1.600   5.030          0.038
+ATOM     32  CA  ALA    17      -8.205  -4.591   4.067          0.003
+ATOM     33  CB  ALA    17      -8.694  -4.698   4.623          0.036
+ATOM     34  CA  GLY    18      -8.687  -5.338   0.393          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  669.54                                       ENERGY    -2.14034E+01
+ATOM      1  CA  GLY     1      -0.573   5.038   2.574          0.039
+ATOM      2  CA  ALA     2      -0.626   1.952   0.437          0.022
+ATOM      3  CB  ALA     2      -0.416   2.113  -0.280          0.033
+ATOM      4  CA  ALA     3      -1.221  -1.141   2.593          0.039
+ATOM      5  CB  ALA     3      -1.817  -0.816   2.821          0.068
+ATOM      6  CA  ALA     4      -0.303  -4.858   2.144          0.011
+ATOM      7  CB  ALA     4      -0.008  -5.438   2.474          0.022
+ATOM      8  CA  CYS     5      -2.551  -5.232   5.210          0.016
+ATOM      9  CB  CYS     5      -3.644  -5.435   4.678          0.139
+ATOM     10  CA  ALA     6      -2.589  -9.051   5.216          0.020
+ATOM     11  CB  ALA     6      -2.696  -9.506   4.575          0.019
+ATOM     12  CA  ALA     7       1.118  -8.882   5.900          0.035
+ATOM     13  CB  ALA     7       1.511  -8.488   5.423          0.087
+ATOM     14  CA  ALA     8       0.555  -6.403   8.746          0.017
+ATOM     15  CB  ALA     8       0.397  -5.646   8.865          0.189
+ATOM     16  CA  ALA     9      -2.218  -8.560  10.425          0.016
+ATOM     17  CB  ALA     9      -2.595  -9.054  10.098          0.043
+ATOM     18  CA  ALA    10       0.501 -10.836  11.855          0.009
+ATOM     19  CB  ALA    10       1.185 -11.102  11.617          0.080
+ATOM     20  CA  ALA    11       0.495  -9.150  15.241          0.013
+ATOM     21  CB  ALA    11       0.841  -9.002  15.790          0.042
+ATOM     22  CA  ALA    12       0.668  -5.752  13.605          0.005
+ATOM     23  CB  ALA    12       0.964  -6.199  13.064          0.007
+ATOM     24  CA  ALA    13      -2.336  -3.478  13.212          0.008
+ATOM     25  CB  ALA    13      -2.135  -2.990  13.818          0.027
+ATOM     26  CA  CYS    14      -4.261  -2.951   9.974          0.037
+ATOM     27  CB  CYS    14      -4.001  -4.024   9.341          0.045
+ATOM     28  CA  ALA    15      -7.703  -1.829   8.782          0.048
+ATOM     29  CB  ALA    15      -8.190  -1.460   9.317          0.027
+ATOM     30  CA  ALA    16      -6.547  -1.300   5.206          0.027
+ATOM     31  CB  ALA    16      -5.851  -1.038   5.164          0.037
+ATOM     32  CA  ALA    17      -8.647  -4.256   4.212          0.013
+ATOM     33  CB  ALA    17      -9.332  -4.595   4.227          0.061
+ATOM     34  CA  GLY    18      -8.903  -5.176   0.502          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  674.54                                       ENERGY    -1.75859E+01
+ATOM      1  CA  GLY     1      -2.171   4.957   2.003          0.020
+ATOM      2  CA  ALA     2      -0.398   2.121   0.274          0.023
+ATOM      3  CB  ALA     2       0.310   1.988   0.088          0.001
+ATOM      4  CA  ALA     3      -1.098  -1.231   1.983          0.001
+ATOM      5  CB  ALA     3      -1.767  -1.273   2.241          0.093
+ATOM      6  CA  ALA     4      -0.305  -5.042   1.819          0.045
+ATOM      7  CB  ALA     4       0.379  -4.874   1.777          0.018
+ATOM      8  CA  CYS     5      -1.869  -5.340   5.297          0.038
+ATOM      9  CB  CYS     5      -3.064  -5.195   4.868          0.083
+ATOM     10  CA  ALA     6      -2.461  -9.082   5.435          0.026
+ATOM     11  CB  ALA     6      -2.831  -8.996   4.777          0.008
+ATOM     12  CA  ALA     7       1.287  -9.512   5.895          0.000
+ATOM     13  CB  ALA     7       1.774  -9.189   5.360          0.078
+ATOM     14  CA  ALA     8       1.187  -6.964   8.721          0.005
+ATOM     15  CB  ALA     8       1.058  -6.322   9.104          0.063
+ATOM     16  CA  ALA     9      -1.790  -8.849  10.242          0.005
+ATOM     17  CB  ALA     9      -2.291  -9.192   9.805          0.103
+ATOM     18  CA  ALA    10       0.942 -10.774  12.084          0.007
+ATOM     19  CB  ALA    10       1.300 -10.464  11.537          0.041
+ATOM     20  CA  ALA    11      -0.326  -9.130  15.118          0.025
+ATOM     21  CB  ALA    11      -0.161  -9.509  15.646          0.078
+ATOM     22  CA  ALA    12       0.652  -5.685  13.881          0.024
+ATOM     23  CB  ALA    12       1.219  -5.822  13.438          0.018
+ATOM     24  CA  ALA    13      -2.515  -3.569  13.359          0.003
+ATOM     25  CB  ALA    13      -2.820  -2.919  13.546          0.079
+ATOM     26  CA  CYS    14      -4.470  -3.069  10.155          0.021
+ATOM     27  CB  CYS    14      -3.670  -3.606   9.386          0.003
+ATOM     28  CA  ALA    15      -7.855  -1.564   9.183          0.032
+ATOM     29  CB  ALA    15      -8.164  -0.971   9.469          0.002
+ATOM     30  CA  ALA    16      -6.982  -1.574   5.488          0.034
+ATOM     31  CB  ALA    16      -6.278  -1.617   5.850          0.026
+ATOM     32  CA  ALA    17      -9.456  -4.025   4.037          0.014
+ATOM     33  CB  ALA    17      -9.856  -3.581   4.501          0.081
+ATOM     34  CA  GLY    18      -9.075  -4.673   0.293          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  679.52                                       ENERGY    -1.65396E+01
+ATOM      1  CA  GLY     1      -3.131   4.348   0.487          0.036
+ATOM      2  CA  ALA     2      -0.034   2.218   0.021          0.010
+ATOM      3  CB  ALA     2       0.598   2.206   0.419          0.008
+ATOM      4  CA  ALA     3      -1.503  -0.870   1.798          0.029
+ATOM      5  CB  ALA     3      -2.203  -0.869   1.940          0.045
+ATOM      6  CA  ALA     4       0.319  -4.241   1.830          0.008
+ATOM      7  CB  ALA     4       0.680  -4.867   1.723          0.020
+ATOM      8  CA  CYS     5      -1.695  -5.865   4.603          0.048
+ATOM      9  CB  CYS     5      -2.789  -5.141   4.355          0.032
+ATOM     10  CA  ALA     6      -2.218  -9.521   5.384          0.012
+ATOM     11  CB  ALA     6      -2.172  -9.880   4.695          0.084
+ATOM     12  CA  ALA     7       1.522  -9.800   6.216          0.014
+ATOM     13  CB  ALA     7       2.069  -9.755   5.651          0.012
+ATOM     14  CA  ALA     8       1.384  -6.874   8.482          0.049
+ATOM     15  CB  ALA     8       1.314  -6.137   8.321          0.012
+ATOM     16  CA  ALA     9      -1.629  -8.519  10.157          0.025
+ATOM     17  CB  ALA     9      -1.854  -9.038   9.668          0.034
+ATOM     18  CA  ALA    10       0.730 -10.770  12.120          0.014
+ATOM     19  CB  ALA    10       1.462 -10.742  12.155          0.102
+ATOM     20  CA  ALA    11      -0.528  -9.423  15.369          0.003
+ATOM     21  CB  ALA    11      -0.318  -9.157  15.982          0.072
+ATOM     22  CA  ALA    12       0.410  -5.812  14.558          0.028
+ATOM     23  CB  ALA    12       0.622  -5.473  13.983          0.075
+ATOM     24  CA  ALA    13      -2.807  -4.042  13.545          0.021
+ATOM     25  CB  ALA    13      -2.865  -3.743  14.205          0.011
+ATOM     26  CA  CYS    14      -3.985  -3.103  10.080          0.018
+ATOM     27  CB  CYS    14      -3.917  -4.099   9.376          0.026
+ATOM     28  CA  ALA    15      -7.310  -1.261   9.715          0.016
+ATOM     29  CB  ALA    15      -7.470  -0.629  10.113          0.178
+ATOM     30  CA  ALA    16      -7.592  -1.143   5.963          0.018
+ATOM     31  CB  ALA    16      -6.839  -1.130   5.732          0.052
+ATOM     32  CA  ALA    17      -9.935  -3.423   4.132          0.010
+ATOM     33  CB  ALA    17     -10.594  -3.781   3.861          0.006
+ATOM     34  CA  GLY    18      -9.316  -4.153   0.432          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  684.52                                       ENERGY    -1.28710E+01
+ATOM      1  CA  GLY     1      -3.529   3.541  -0.993          0.036
+ATOM      2  CA  ALA     2      -0.053   2.269  -0.041          0.017
+ATOM      3  CB  ALA     2       0.610   2.559   0.069          0.019
+ATOM      4  CA  ALA     3      -1.524  -0.747   1.698          0.022
+ATOM      5  CB  ALA     3      -2.167  -1.122   1.837          0.015
+ATOM      6  CA  ALA     4       0.426  -3.944   1.998          0.063
+ATOM      7  CB  ALA     4       0.848  -3.484   1.638          0.016
+ATOM      8  CA  CYS     5      -1.691  -6.080   4.296          0.007
+ATOM      9  CB  CYS     5      -2.871  -5.654   3.999          0.011
+ATOM     10  CA  ALA     6      -1.715  -9.780   4.877          0.024
+ATOM     11  CB  ALA     6      -1.711 -10.536   4.759          0.023
+ATOM     12  CA  ALA     7       1.848  -9.618   6.275          0.012
+ATOM     13  CB  ALA     7       2.422  -9.645   5.954          0.089
+ATOM     14  CA  ALA     8       1.065  -6.632   8.522          0.094
+ATOM     15  CB  ALA     8       0.877  -5.900   8.338          0.009
+ATOM     16  CA  ALA     9      -1.705  -8.561  10.373          0.018
+ATOM     17  CB  ALA     9      -2.363  -8.740  10.280          0.075
+ATOM     18  CA  ALA    10       0.845 -10.699  12.272          0.033
+ATOM     19  CB  ALA    10       1.434 -10.914  12.057          0.068
+ATOM     20  CA  ALA    11      -0.383  -9.362  15.633          0.001
+ATOM     21  CB  ALA    11      -0.390  -9.855  16.192          0.059
+ATOM     22  CA  ALA    12       0.336  -5.708  14.801          0.006
+ATOM     23  CB  ALA    12       0.725  -6.068  14.337          0.016
+ATOM     24  CA  ALA    13      -2.987  -4.104  13.759          0.008
+ATOM     25  CB  ALA    13      -3.391  -3.683  14.261          0.008
+ATOM     26  CA  CYS    14      -4.110  -3.827  10.165          0.027
+ATOM     27  CB  CYS    14      -3.632  -4.673   9.300          0.003
+ATOM     28  CA  ALA    15      -6.898  -1.205   9.925          0.005
+ATOM     29  CB  ALA    15      -6.965  -0.472  10.201          0.038
+ATOM     30  CA  ALA    16      -7.930  -0.767   6.294          0.036
+ATOM     31  CB  ALA    16      -7.808  -0.571   5.599          0.027
+ATOM     32  CA  ALA    17      -9.905  -3.106   4.022          0.005
+ATOM     33  CB  ALA    17     -10.399  -2.970   4.536          0.007
+ATOM     34  CA  GLY    18      -9.291  -3.496   0.276          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  689.52                                       ENERGY    -1.64477E+01
+ATOM      1  CA  GLY     1      -3.600   3.078  -1.967          0.022
+ATOM      2  CA  ALA     2      -0.222   2.064  -0.596          0.014
+ATOM      3  CB  ALA     2       0.160   2.619  -0.253          0.008
+ATOM      4  CA  ALA     3      -1.787  -0.712   1.491          0.023
+ATOM      5  CB  ALA     3      -2.505  -0.709   1.588          0.005
+ATOM      6  CA  ALA     4       0.364  -3.705   2.146          0.065
+ATOM      7  CB  ALA     4       0.826  -4.127   2.524          0.051
+ATOM      8  CA  CYS     5      -1.732  -6.161   4.138          0.018
+ATOM      9  CB  CYS     5      -2.741  -5.526   3.761          0.025
+ATOM     10  CA  ALA     6      -1.439  -9.794   5.299          0.000
+ATOM     11  CB  ALA     6      -1.743 -10.081   4.739          0.103
+ATOM     12  CA  ALA     7       1.906  -9.086   6.900          0.018
+ATOM     13  CB  ALA     7       2.641  -9.047   6.874          0.078
+ATOM     14  CA  ALA     8       0.274  -6.467   9.124          0.049
+ATOM     15  CB  ALA     8       0.374  -5.798   8.976          0.145
+ATOM     16  CA  ALA     9      -2.020  -9.194  10.430          0.014
+ATOM     17  CB  ALA     9      -2.049  -9.509   9.773          0.018
+ATOM     18  CA  ALA    10       1.145 -10.753  11.975          0.062
+ATOM     19  CB  ALA    10       1.511 -10.151  12.296          0.010
+ATOM     20  CA  ALA    11      -0.247 -10.052  15.371          0.004
+ATOM     21  CB  ALA    11      -0.197 -10.148  16.135          0.065
+ATOM     22  CA  ALA    12       0.293  -6.360  14.908          0.009
+ATOM     23  CB  ALA    12       0.703  -5.924  14.411          0.017
+ATOM     24  CA  ALA    13      -2.745  -4.504  13.667          0.001
+ATOM     25  CB  ALA    13      -2.786  -3.914  14.104          0.013
+ATOM     26  CA  CYS    14      -3.797  -3.475  10.211          0.015
+ATOM     27  CB  CYS    14      -3.537  -4.350   9.427          0.042
+ATOM     28  CA  ALA    15      -7.055  -1.662   9.378          0.012
+ATOM     29  CB  ALA    15      -7.485  -1.448   9.917          0.068
+ATOM     30  CA  ALA    16      -7.660  -0.227   5.919          0.003
+ATOM     31  CB  ALA    16      -6.986   0.084   5.831          0.026
+ATOM     32  CA  ALA    17     -10.149  -2.630   4.348          0.021
+ATOM     33  CB  ALA    17     -10.795  -2.931   4.163          0.031
+ATOM     34  CA  GLY    18      -8.954  -3.006   0.826          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  694.52                                       ENERGY    -1.68795E+01
+ATOM      1  CA  GLY     1      -3.829   2.819  -2.533          0.008
+ATOM      2  CA  ALA     2      -0.439   1.913  -1.033          0.042
+ATOM      3  CB  ALA     2      -0.033   2.315  -0.663          0.029
+ATOM      4  CA  ALA     3      -1.682  -0.989   1.047          0.007
+ATOM      5  CB  ALA     3      -2.206  -1.503   0.934          0.109
+ATOM      6  CA  ALA     4       0.331  -3.735   2.594          0.033
+ATOM      7  CB  ALA     4       0.759  -3.240   2.658          0.064
+ATOM      8  CA  CYS     5      -2.169  -5.668   4.825          0.026
+ATOM      9  CB  CYS     5      -3.215  -5.689   4.239          0.010
+ATOM     10  CA  ALA     6      -1.417  -9.301   5.781          0.046
+ATOM     11  CB  ALA     6      -1.065  -9.799   5.383          0.078
+ATOM     12  CA  ALA     7       2.102  -8.225   6.770          0.024
+ATOM     13  CB  ALA     7       2.429  -7.891   6.284          0.117
+ATOM     14  CA  ALA     8       0.730  -6.316   9.774          0.007
+ATOM     15  CB  ALA     8       0.182  -6.142  10.183          0.145
+ATOM     16  CA  ALA     9      -1.781  -9.046  10.459          0.000
+ATOM     17  CB  ALA     9      -2.386  -9.096   9.924          0.022
+ATOM     18  CA  ALA    10       0.796 -11.296  11.931          0.039
+ATOM     19  CB  ALA    10       1.234 -11.529  11.410          0.066
+ATOM     20  CA  ALA    11       0.002 -10.216  15.528          0.064
+ATOM     21  CB  ALA    11       0.251 -10.663  16.056          0.006
+ATOM     22  CA  ALA    12       0.312  -6.425  14.805          0.009
+ATOM     23  CB  ALA    12       0.928  -6.397  14.400          0.024
+ATOM     24  CA  ALA    13      -2.848  -4.726  13.379          0.028
+ATOM     25  CB  ALA    13      -3.157  -4.285  13.919          0.022
+ATOM     26  CA  CYS    14      -3.691  -3.331   9.931          0.004
+ATOM     27  CB  CYS    14      -3.721  -4.305   9.139          0.017
+ATOM     28  CA  ALA    15      -7.236  -2.159   9.505          0.014
+ATOM     29  CB  ALA    15      -7.566  -1.762  10.015          0.007
+ATOM     30  CA  ALA    16      -7.534  -0.235   6.248          0.017
+ATOM     31  CB  ALA    16      -7.217  -0.162   5.571          0.028
+ATOM     32  CA  ALA    17      -9.927  -1.914   3.895          0.039
+ATOM     33  CB  ALA    17     -10.472  -1.533   4.219          0.175
+ATOM     34  CA  GLY    18      -8.152  -3.344   0.808          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  699.52                                       ENERGY    -1.73443E+01
+ATOM      1  CA  GLY     1      -3.917   2.805  -2.840          0.017
+ATOM      2  CA  ALA     2      -0.689   1.260  -1.599          0.033
+ATOM      3  CB  ALA     2      -0.105   1.587  -1.152          0.055
+ATOM      4  CA  ALA     3      -1.975  -1.435   0.786          0.056
+ATOM      5  CB  ALA     3      -2.257  -1.701   0.155          0.027
+ATOM      6  CA  ALA     4      -0.068  -3.566   3.250          0.040
+ATOM      7  CB  ALA     4       0.368  -3.627   3.787          0.036
+ATOM      8  CA  CYS     5      -2.376  -5.438   5.499          0.010
+ATOM      9  CB  CYS     5      -3.336  -5.554   4.681          0.012
+ATOM     10  CA  ALA     6      -1.043  -8.946   5.959          0.019
+ATOM     11  CB  ALA     6      -1.374  -9.481   5.513          0.040
+ATOM     12  CA  ALA     7       2.301  -7.555   6.922          0.036
+ATOM     13  CB  ALA     7       2.378  -6.862   6.667          0.092
+ATOM     14  CA  ALA     8       0.803  -6.106  10.014          0.043
+ATOM     15  CB  ALA     8       1.078  -5.464   9.788          0.030
+ATOM     16  CA  ALA     9      -1.887  -8.829  10.021          0.034
+ATOM     17  CB  ALA     9      -2.206  -9.215   9.527          0.017
+ATOM     18  CA  ALA    10       0.721 -11.286  11.449          0.010
+ATOM     19  CB  ALA    10       1.463 -11.317  11.550          0.060
+ATOM     20  CA  ALA    11      -0.168 -10.655  15.056          0.020
+ATOM     21  CB  ALA    11       0.409 -10.621  15.567          0.049
+ATOM     22  CA  ALA    12       0.287  -6.953  14.725          0.029
+ATOM     23  CB  ALA    12       0.711  -6.999  14.076          0.010
+ATOM     24  CA  ALA    13      -2.959  -5.216  13.693          0.014
+ATOM     25  CB  ALA    13      -3.213  -5.018  14.282          0.189
+ATOM     26  CA  CYS    14      -4.016  -3.737  10.306          0.002
+ATOM     27  CB  CYS    14      -3.197  -4.124   9.478          0.030
+ATOM     28  CA  ALA    15      -7.312  -1.942   9.788          0.015
+ATOM     29  CB  ALA    15      -7.779  -1.558  10.238          0.055
+ATOM     30  CA  ALA    16      -7.578  -0.399   6.343          0.021
+ATOM     31  CB  ALA    16      -6.818  -0.304   6.414          0.057
+ATOM     32  CA  ALA    17      -9.602  -1.092   3.198          0.018
+ATOM     33  CB  ALA    17      -9.999  -0.953   2.514          0.058
+ATOM     34  CA  GLY    18      -8.159  -3.706   0.931          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  704.52                                       ENERGY    -2.09463E+01
+ATOM      1  CA  GLY     1      -3.368   2.785  -3.858          0.023
+ATOM      2  CA  ALA     2      -1.139   0.500  -1.782          0.026
+ATOM      3  CB  ALA     2      -0.431   0.800  -1.858          0.182
+ATOM      4  CA  ALA     3      -2.221  -1.686   1.136          0.019
+ATOM      5  CB  ALA     3      -2.550  -2.316   1.466          0.161
+ATOM      6  CA  ALA     4      -0.067  -3.727   3.612          0.033
+ATOM      7  CB  ALA     4       0.468  -3.633   4.148          0.019
+ATOM      8  CA  CYS     5      -2.782  -5.423   5.758          0.012
+ATOM      9  CB  CYS     5      -3.724  -5.409   4.930          0.023
+ATOM     10  CA  ALA     6      -0.986  -8.804   5.536          0.007
+ATOM     11  CB  ALA     6      -0.786  -9.130   4.921          0.090
+ATOM     12  CA  ALA     7       2.264  -7.244   6.400          0.011
+ATOM     13  CB  ALA     7       2.855  -7.156   5.904          0.057
+ATOM     14  CA  ALA     8       0.957  -5.649   9.625          0.006
+ATOM     15  CB  ALA     8       0.640  -5.307  10.137          0.028
+ATOM     16  CA  ALA     9      -1.423  -8.556  10.218          0.008
+ATOM     17  CB  ALA     9      -1.854  -8.332   9.594          0.085
+ATOM     18  CA  ALA    10       1.430 -10.814  11.154          0.043
+ATOM     19  CB  ALA    10       1.982 -10.451  10.782          0.025
+ATOM     20  CA  ALA    11      -0.164 -11.121  14.601          0.017
+ATOM     21  CB  ALA    11      -0.335 -11.597  15.153          0.134
+ATOM     22  CA  ALA    12       0.096  -7.299  14.954          0.025
+ATOM     23  CB  ALA    12       0.463  -6.979  14.416          0.066
+ATOM     24  CA  ALA    13      -3.253  -5.632  14.335          0.010
+ATOM     25  CB  ALA    13      -3.628  -5.437  15.033          0.052
+ATOM     26  CA  CYS    14      -4.352  -3.654  11.244          0.017
+ATOM     27  CB  CYS    14      -3.562  -3.631  10.273          0.024
+ATOM     28  CA  ALA    15      -7.382  -1.970   9.622          0.018
+ATOM     29  CB  ALA    15      -7.893  -1.714  10.170          0.077
+ATOM     30  CA  ALA    16      -7.088  -0.622   6.138          0.053
+ATOM     31  CB  ALA    16      -6.428  -0.424   5.809          0.090
+ATOM     32  CA  ALA    17      -9.137  -0.886   2.930          0.004
+ATOM     33  CB  ALA    17      -9.019  -0.148   3.021          0.109
+ATOM     34  CA  GLY    18      -8.491  -3.680   0.311          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  709.52                                       ENERGY    -2.14230E+01
+ATOM      1  CA  GLY     1      -2.755   2.004  -4.283          0.043
+ATOM      2  CA  ALA     2      -1.598  -0.519  -1.692          0.031
+ATOM      3  CB  ALA     2      -0.890  -0.655  -1.373          0.226
+ATOM      4  CA  ALA     3      -2.507  -1.835   1.730          0.085
+ATOM      5  CB  ALA     3      -3.259  -1.941   1.480          0.072
+ATOM      6  CA  ALA     4       0.080  -3.630   3.831          0.001
+ATOM      7  CB  ALA     4       0.658  -3.262   4.209          0.027
+ATOM      8  CA  CYS     5      -2.635  -5.219   5.958          0.011
+ATOM      9  CB  CYS     5      -3.597  -4.873   5.221          0.030
+ATOM     10  CA  ALA     6      -1.010  -8.522   5.238          0.019
+ATOM     11  CB  ALA     6      -1.051  -9.031   4.752          0.054
+ATOM     12  CA  ALA     7       2.292  -6.928   6.341          0.003
+ATOM     13  CB  ALA     7       2.491  -6.578   5.729          0.032
+ATOM     14  CA  ALA     8       0.652  -5.440   9.416          0.002
+ATOM     15  CB  ALA     8       0.476  -5.152  10.096          0.011
+ATOM     16  CA  ALA     9      -1.528  -8.511   9.888          0.059
+ATOM     17  CB  ALA     9      -2.093  -8.676   9.431          0.024
+ATOM     18  CA  ALA    10       1.793 -10.208  10.681          0.016
+ATOM     19  CB  ALA    10       2.457  -9.852  10.683          0.038
+ATOM     20  CA  ALA    11       0.151 -11.117  14.014          0.006
+ATOM     21  CB  ALA    11       0.040 -11.699  14.473          0.061
+ATOM     22  CA  ALA    12      -0.522  -7.535  14.885          0.021
+ATOM     23  CB  ALA    12       0.083  -7.030  14.986          0.022
+ATOM     24  CA  ALA    13      -3.973  -5.820  14.468          0.014
+ATOM     25  CB  ALA    13      -4.030  -5.498  15.149          0.047
+ATOM     26  CA  CYS    14      -4.444  -3.826  11.177          0.003
+ATOM     27  CB  CYS    14      -3.696  -3.786  10.186          0.024
+ATOM     28  CA  ALA    15      -7.361  -1.949   9.777          0.002
+ATOM     29  CB  ALA    15      -7.852  -1.409   9.947          0.007
+ATOM     30  CA  ALA    16      -6.101  -0.927   6.349          0.007
+ATOM     31  CB  ALA    16      -5.346  -0.905   6.240          0.174
+ATOM     32  CA  ALA    17      -8.604  -0.817   3.480          0.005
+ATOM     33  CB  ALA    17      -9.009  -0.585   2.942          0.091
+ATOM     34  CA  GLY    18      -8.372  -2.915   0.286          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  714.52                                       ENERGY    -2.51188E+01
+ATOM      1  CA  GLY     1      -3.248   0.769  -4.356          0.057
+ATOM      2  CA  ALA     2      -0.910  -1.189  -1.947          0.068
+ATOM      3  CB  ALA     2      -0.162  -1.051  -1.749          0.085
+ATOM      4  CA  ALA     3      -2.806  -1.779   1.312          0.013
+ATOM      5  CB  ALA     3      -3.508  -1.870   1.465          0.012
+ATOM      6  CA  ALA     4      -0.329  -2.881   3.949          0.048
+ATOM      7  CB  ALA     4       0.138  -2.653   4.436          0.030
+ATOM      8  CA  CYS     5      -2.967  -4.696   5.934          0.018
+ATOM      9  CB  CYS     5      -3.921  -4.697   5.207          0.018
+ATOM     10  CA  ALA     6      -1.342  -8.032   5.244          0.038
+ATOM     11  CB  ALA     6      -1.287  -8.554   4.687          0.104
+ATOM     12  CA  ALA     7       1.971  -6.677   6.393          0.008
+ATOM     13  CB  ALA     7       2.675  -6.380   6.342          0.108
+ATOM     14  CA  ALA     8       0.760  -5.713   9.837          0.025
+ATOM     15  CB  ALA     8       0.503  -5.017  10.074          0.006
+ATOM     16  CA  ALA     9      -1.524  -8.759   9.791          0.021
+ATOM     17  CB  ALA     9      -1.683  -9.023   9.112          0.099
+ATOM     18  CA  ALA    10       1.845 -10.132  10.698          0.019
+ATOM     19  CB  ALA    10       2.482  -9.786  10.930          0.102
+ATOM     20  CA  ALA    11       0.352 -11.124  14.135          0.013
+ATOM     21  CB  ALA    11       0.905 -11.654  14.248          0.034
+ATOM     22  CA  ALA    12      -0.659  -7.512  14.897          0.010
+ATOM     23  CB  ALA    12      -0.377  -7.377  14.234          0.016
+ATOM     24  CA  ALA    13      -3.951  -5.976  13.744          0.060
+ATOM     25  CB  ALA    13      -4.381  -5.821  14.221          0.031
+ATOM     26  CA  CYS    14      -4.613  -3.893  10.721          0.023
+ATOM     27  CB  CYS    14      -3.971  -4.491   9.903          0.064
+ATOM     28  CA  ALA    15      -7.579  -1.600   9.937          0.031
+ATOM     29  CB  ALA    15      -7.836  -0.984  10.380          0.081
+ATOM     30  CA  ALA    16      -5.867  -0.215   6.912          0.106
+ATOM     31  CB  ALA    16      -5.237  -0.597   6.898          0.055
+ATOM     32  CA  ALA    17      -7.902  -1.213   3.825          0.070
+ATOM     33  CB  ALA    17      -8.208  -0.610   4.081          0.038
+ATOM     34  CA  GLY    18      -7.698  -3.219   0.558          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  719.52                                       ENERGY    -2.08112E+01
+ATOM      1  CA  GLY     1      -3.507  -0.651  -5.247          0.034
+ATOM      2  CA  ALA     2      -0.813  -0.958  -2.492          0.035
+ATOM      3  CB  ALA     2      -0.208  -0.681  -2.582          0.022
+ATOM      4  CA  ALA     3      -1.739  -2.175   0.945          0.033
+ATOM      5  CB  ALA     3      -2.350  -2.677   1.150          0.104
+ATOM      6  CA  ALA     4      -0.125  -2.440   4.357          0.022
+ATOM      7  CB  ALA     4       0.161  -1.916   4.897          0.136
+ATOM      8  CA  CYS     5      -3.154  -4.268   5.925          0.026
+ATOM      9  CB  CYS     5      -4.283  -4.183   5.615          0.097
+ATOM     10  CA  ALA     6      -1.369  -7.524   5.103          0.024
+ATOM     11  CB  ALA     6      -1.462  -7.720   4.383          0.082
+ATOM     12  CA  ALA     7       1.810  -6.133   6.502          0.004
+ATOM     13  CB  ALA     7       2.052  -5.533   6.231          0.051
+ATOM     14  CA  ALA     8      -0.039  -5.782   9.863          0.022
+ATOM     15  CB  ALA     8      -0.315  -5.188  10.115          0.099
+ATOM     16  CA  ALA     9      -1.187  -9.490   9.673          0.005
+ATOM     17  CB  ALA     9      -1.659  -9.942   9.276          0.006
+ATOM     18  CA  ALA    10       2.188 -10.835  10.745          0.019
+ATOM     19  CB  ALA    10       2.492 -10.270  10.334          0.012
+ATOM     20  CA  ALA    11       0.998 -11.175  14.342          0.054
+ATOM     21  CB  ALA    11       1.095 -11.033  15.107          0.077
+ATOM     22  CA  ALA    12      -0.593  -7.703  14.451          0.008
+ATOM     23  CB  ALA    12      -0.375  -7.233  13.987          0.063
+ATOM     24  CA  ALA    13      -4.142  -6.633  13.584          0.009
+ATOM     25  CB  ALA    13      -4.597  -6.546  14.172          0.075
+ATOM     26  CA  CYS    14      -4.866  -3.884  10.984          0.019
+ATOM     27  CB  CYS    14      -4.531  -4.694   9.955          0.037
+ATOM     28  CA  ALA    15      -7.392  -1.173  10.433          0.006
+ATOM     29  CB  ALA    15      -7.831  -0.862  10.967          0.020
+ATOM     30  CA  ALA    16      -5.922   0.141   7.086          0.054
+ATOM     31  CB  ALA    16      -5.176   0.061   6.978          0.012
+ATOM     32  CA  ALA    17      -7.779  -0.997   3.935          0.014
+ATOM     33  CB  ALA    17      -8.154  -0.598   3.451          0.034
+ATOM     34  CA  GLY    18      -7.321  -3.731   1.322          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  724.52                                       ENERGY    -2.07618E+01
+ATOM      1  CA  GLY     1      -2.654  -2.124  -5.687          0.047
+ATOM      2  CA  ALA     2      -1.083  -1.149  -2.328          0.002
+ATOM      3  CB  ALA     2      -1.138  -0.366  -2.393          0.051
+ATOM      4  CA  ALA     3      -1.609  -2.830   1.042          0.032
+ATOM      5  CB  ALA     3      -1.171  -3.406   0.792          0.142
+ATOM      6  CA  ALA     4      -0.320  -1.624   4.333          0.029
+ATOM      7  CB  ALA     4      -0.326  -0.858   4.426          0.076
+ATOM      8  CA  CYS     5      -2.742  -3.864   6.297          0.011
+ATOM      9  CB  CYS     5      -3.966  -3.865   6.015          0.083
+ATOM     10  CA  ALA     6      -1.536  -7.192   4.748          0.009
+ATOM     11  CB  ALA     6      -1.692  -7.385   4.094          0.035
+ATOM     12  CA  ALA     7       1.806  -6.641   6.403          0.006
+ATOM     13  CB  ALA     7       2.476  -6.229   6.612          0.015
+ATOM     14  CA  ALA     8       0.257  -5.954   9.766          0.004
+ATOM     15  CB  ALA     8      -0.296  -5.537   9.911          0.015
+ATOM     16  CA  ALA     9      -1.296  -9.433   9.524          0.024
+ATOM     17  CB  ALA     9      -1.459  -9.195   8.851          0.029
+ATOM     18  CA  ALA    10       2.043 -10.937  10.431          0.049
+ATOM     19  CB  ALA    10       2.761 -10.612  10.372          0.016
+ATOM     20  CA  ALA    11       1.217 -10.842  14.156          0.069
+ATOM     21  CB  ALA    11       1.678 -11.361  14.334          0.048
+ATOM     22  CA  ALA    12      -0.735  -7.612  14.595          0.010
+ATOM     23  CB  ALA    12      -0.328  -7.040  14.311          0.012
+ATOM     24  CA  ALA    13      -4.375  -6.686  13.729          0.024
+ATOM     25  CB  ALA    13      -4.713  -6.653  14.307          0.015
+ATOM     26  CA  CYS    14      -5.526  -4.334  11.078          0.006
+ATOM     27  CB  CYS    14      -4.977  -4.911  10.061          0.019
+ATOM     28  CA  ALA    15      -7.537  -1.180  10.676          0.043
+ATOM     29  CB  ALA    15      -7.215  -0.536  10.821          0.034
+ATOM     30  CA  ALA    16      -6.526   0.134   7.296          0.018
+ATOM     31  CB  ALA    16      -5.816  -0.162   7.324          0.026
+ATOM     32  CA  ALA    17      -7.974  -0.592   3.848          0.014
+ATOM     33  CB  ALA    17      -8.171   0.021   3.404          0.007
+ATOM     34  CA  GLY    18      -6.488  -3.426   1.761          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  729.52                                       ENERGY    -1.68196E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -1.334  -3.443  -5.089          0.056
+ATOM      2  CA  ALA     2      -1.324  -1.204  -1.981          0.036
+ATOM      3  CB  ALA     2      -2.044  -0.864  -1.947          0.043
+ATOM      4  CA  ALA     3      -1.748  -3.509   1.140          0.007
+ATOM      5  CB  ALA     3      -1.187  -4.040   1.100          0.042
+ATOM      6  CA  ALA     4      -0.172  -1.580   4.025          0.024
+ATOM      7  CB  ALA     4      -0.541  -0.892   3.936          0.037
+ATOM      8  CA  CYS     5      -2.383  -3.674   6.264          0.005
+ATOM      9  CB  CYS     5      -3.598  -3.565   6.406          0.006
+ATOM     10  CA  ALA     6      -1.204  -7.056   4.832          0.028
+ATOM     11  CB  ALA     6      -1.543  -7.266   4.257          0.017
+ATOM     12  CA  ALA     7       2.257  -6.294   6.345          0.005
+ATOM     13  CB  ALA     7       2.868  -6.012   6.269          0.169
+ATOM     14  CA  ALA     8       0.526  -5.832   9.670          0.044
+ATOM     15  CB  ALA     8      -0.013  -5.320   9.819          0.024
+ATOM     16  CA  ALA     9      -1.540  -9.033   9.146          0.035
+ATOM     17  CB  ALA     9      -1.865  -9.283   8.532          0.002
+ATOM     18  CA  ALA    10       1.611 -10.920  10.014          0.011
+ATOM     19  CB  ALA    10       2.364 -10.680   9.906          0.067
+ATOM     20  CA  ALA    11       0.871 -10.908  13.757          0.007
+ATOM     21  CB  ALA    11       1.394 -11.176  14.272          0.149
+ATOM     22  CA  ALA    12      -0.756  -7.557  14.478          0.003
+ATOM     23  CB  ALA    12      -0.636  -7.104  13.797          0.048
+ATOM     24  CA  ALA    13      -4.427  -6.533  13.943          0.016
+ATOM     25  CB  ALA    13      -4.787  -6.324  14.480          0.036
+ATOM     26  CA  CYS    14      -5.072  -4.250  10.888          0.005
+ATOM     27  CB  CYS    14      -4.643  -4.774   9.855          0.072
+ATOM     28  CA  ALA    15      -7.806  -1.596  11.020          0.034
+ATOM     29  CB  ALA    15      -8.140  -1.523  11.626          0.105
+ATOM     30  CA  ALA    16      -6.891   0.078   7.765          0.024
+ATOM     31  CB  ALA    16      -6.291   0.499   7.436          0.007
+ATOM     32  CA  ALA    17      -7.638  -0.739   4.204          0.013
+ATOM     33  CB  ALA    17      -8.077  -0.191   3.850          0.068
+ATOM     34  CA  GLY    18      -6.827  -2.315   0.825          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  734.50                                       ENERGY    -2.47457E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1      -0.090  -4.138  -4.253          0.038
+ATOM      2  CA  ALA     2      -1.821  -1.719  -1.900          0.014
+ATOM      3  CB  ALA     2      -2.357  -1.126  -1.985          0.027
+ATOM      4  CA  ALA     3      -1.394  -4.212   0.986          0.041
+ATOM      5  CB  ALA     3      -1.272  -4.866   0.560          0.051
+ATOM      6  CA  ALA     4      -0.118  -1.922   3.775          0.023
+ATOM      7  CB  ALA     4      -0.391  -1.146   3.790          0.110
+ATOM      8  CA  CYS     5      -2.246  -3.722   6.243          0.007
+ATOM      9  CB  CYS     5      -3.420  -3.580   6.611          0.009
+ATOM     10  CA  ALA     6      -0.979  -7.091   4.947          0.002
+ATOM     11  CB  ALA     6      -0.588  -7.096   4.324          0.030
+ATOM     12  CA  ALA     7       2.438  -6.054   6.435          0.018
+ATOM     13  CB  ALA     7       2.558  -5.534   5.903          0.017
+ATOM     14  CA  ALA     8       0.726  -5.394   9.765          0.020
+ATOM     15  CB  ALA     8       0.285  -4.848   9.864          0.042
+ATOM     16  CA  ALA     9      -1.597  -8.468   9.216          0.026
+ATOM     17  CB  ALA     9      -1.971  -8.495   8.568          0.007
+ATOM     18  CA  ALA    10       1.273 -10.913   9.674          0.059
+ATOM     19  CB  ALA    10       1.913 -10.532   9.457          0.216
+ATOM     20  CA  ALA    11       0.111 -11.362  13.294          0.056
+ATOM     21  CB  ALA    11       0.593 -11.333  13.865          0.131
+ATOM     22  CA  ALA    12      -0.588  -7.673  13.708          0.012
+ATOM     23  CB  ALA    12      -0.195  -7.086  13.549          0.036
+ATOM     24  CA  ALA    13      -4.074  -6.254  13.911          0.041
+ATOM     25  CB  ALA    13      -4.400  -5.933  14.570          0.006
+ATOM     26  CA  CYS    14      -4.896  -3.720  11.132          0.002
+ATOM     27  CB  CYS    14      -4.336  -4.058  10.046          0.043
+ATOM     28  CA  ALA    15      -8.325  -2.604  10.196          0.008
+ATOM     29  CB  ALA    15      -8.884  -2.436  10.681          0.214
+ATOM     30  CA  ALA    16      -6.953   0.291   8.135          0.030
+ATOM     31  CB  ALA    16      -6.336   0.146   8.536          0.183
+ATOM     32  CA  ALA    17      -8.259  -0.710   4.762          0.038
+ATOM     33  CB  ALA    17      -8.954  -0.331   4.704          0.039
+ATOM     34  CA  GLY    18      -6.477  -1.323   1.565          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  739.50                                       ENERGY    -2.82480E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       0.680  -4.094  -4.317          0.008
+ATOM      2  CA  ALA     2      -1.615  -2.206  -1.889          0.090
+ATOM      3  CB  ALA     2      -2.269  -1.987  -1.880          0.010
+ATOM      4  CA  ALA     3      -1.269  -4.794   0.873          0.049
+ATOM      5  CB  ALA     3      -0.797  -5.249   0.970          0.122
+ATOM      6  CA  ALA     4      -0.397  -1.885   3.210          0.030
+ATOM      7  CB  ALA     4      -0.396  -1.313   2.835          0.023
+ATOM      8  CA  CYS     5      -1.978  -3.677   6.189          0.010
+ATOM      9  CB  CYS     5      -3.154  -3.310   6.569          0.011
+ATOM     10  CA  ALA     6      -0.778  -7.050   4.885          0.016
+ATOM     11  CB  ALA     6      -1.054  -7.328   4.336          0.018
+ATOM     12  CA  ALA     7       2.553  -6.466   6.563          0.012
+ATOM     13  CB  ALA     7       3.293  -6.196   6.687          0.032
+ATOM     14  CA  ALA     8       0.766  -4.968   9.577          0.017
+ATOM     15  CB  ALA     8       0.332  -4.404   9.629          0.069
+ATOM     16  CA  ALA     9      -1.744  -7.826   9.321          0.066
+ATOM     17  CB  ALA     9      -2.193  -7.972   8.760          0.043
+ATOM     18  CA  ALA    10       1.047 -10.394   9.681          0.011
+ATOM     19  CB  ALA    10       1.565  -9.823   9.469          0.075
+ATOM     20  CA  ALA    11      -0.454 -11.506  12.944          0.026
+ATOM     21  CB  ALA    11      -0.056 -12.082  12.915          0.057
+ATOM     22  CA  ALA    12      -0.054  -7.844  14.244          0.048
+ATOM     23  CB  ALA    12       0.321  -7.644  13.635          0.009
+ATOM     24  CA  ALA    13      -3.384  -6.177  13.589          0.083
+ATOM     25  CB  ALA    13      -3.651  -6.211  14.250          0.182
+ATOM     26  CA  CYS    14      -4.911  -3.623  11.218          0.042
+ATOM     27  CB  CYS    14      -4.357  -3.539  10.114          0.028
+ATOM     28  CA  ALA    15      -8.453  -3.379   9.797          0.041
+ATOM     29  CB  ALA    15      -9.197  -3.172   9.787          0.062
+ATOM     30  CA  ALA    16      -7.852   0.294   8.916          0.014
+ATOM     31  CB  ALA    16      -7.197   0.668   8.796          0.142
+ATOM     32  CA  ALA    17      -8.753  -0.383   5.313          0.038
+ATOM     33  CB  ALA    17      -9.411  -0.136   5.027          0.071
+ATOM     34  CA  GLY    18      -6.398  -0.485   2.324          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  744.50                                       ENERGY    -2.87503E+01
+SSBOND   1 CYS    -14    CYS     -5
+ATOM      1  CA  GLY     1       1.142  -3.973  -4.298          0.006
+ATOM      2  CA  ALA     2      -1.738  -2.746  -2.214          0.030
+ATOM      3  CB  ALA     2      -2.415  -2.921  -2.426          0.094
+ATOM      4  CA  ALA     3      -0.692  -4.966   0.660          0.037
+ATOM      5  CB  ALA     3      -0.039  -5.403   0.723          0.048
+ATOM      6  CA  ALA     4       0.090  -1.995   3.010          0.036
+ATOM      7  CB  ALA     4       0.061  -1.311   2.937          0.069
+ATOM      8  CA  CYS     5      -1.886  -3.320   5.962          0.018
+ATOM      9  CB  CYS     5      -2.964  -2.842   6.265          0.029
+ATOM     10  CA  ALA     6      -0.965  -6.895   5.052          0.030
+ATOM     11  CB  ALA     6      -0.972  -7.422   4.436          0.138
+ATOM     12  CA  ALA     7       2.352  -6.431   6.783          0.015
+ATOM     13  CB  ALA     7       2.827  -6.215   6.357          0.031
+ATOM     14  CA  ALA     8       0.412  -5.054   9.672          0.004
+ATOM     15  CB  ALA     8       0.266  -4.323   9.708          0.084
+ATOM     16  CA  ALA     9      -2.093  -7.899   9.307          0.036
+ATOM     17  CB  ALA     9      -2.623  -7.776   8.823          0.064
+ATOM     18  CA  ALA    10       0.895 -10.388   9.419          0.010
+ATOM     19  CB  ALA    10       1.654 -10.380   9.279          0.056
+ATOM     20  CA  ALA    11      -0.380 -11.333  12.824          0.071
+ATOM     21  CB  ALA    11      -0.377 -12.039  13.202          0.022
+ATOM     22  CA  ALA    12      -0.083  -7.813  14.246          0.049
+ATOM     23  CB  ALA    12       0.583  -7.513  14.309          0.027
+ATOM     24  CA  ALA    13      -3.295  -6.056  13.259          0.019
+ATOM     25  CB  ALA    13      -3.737  -6.185  13.816          0.166
+ATOM     26  CA  CYS    14      -4.601  -3.275  10.985          0.019
+ATOM     27  CB  CYS    14      -4.101  -3.217   9.852          0.012
+ATOM     28  CA  ALA    15      -8.377  -3.849  10.446          0.070
+ATOM     29  CB  ALA    15      -8.727  -4.369  10.863          0.026
+ATOM     30  CA  ALA    16      -8.634  -0.316   9.024          0.006
+ATOM     31  CB  ALA    16      -8.079  -0.076   9.534          0.157
+ATOM     32  CA  ALA    17      -9.048   0.245   5.337          0.047
+ATOM     33  CB  ALA    17      -9.649   0.589   5.199          0.038
+ATOM     34  CA  GLY    18      -6.265   0.298   2.828          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT    1    1
+ENDMDL
+REMARK time  749.50                                       ENERGY    -1.89208E+01
+ATOM      1  CA  GLY     1       1.377  -3.465  -4.335          0.026
+ATOM      2  CA  ALA     2      -1.715  -3.321  -2.024          0.026
+ATOM      3  CB  ALA     2      -2.345  -3.448  -2.340          0.026
+ATOM      4  CA  ALA     3       0.003  -5.243   0.767          0.009
+ATOM      5  CB  ALA     3       0.692  -5.454   0.791          0.155
+ATOM      6  CA  ALA     4       0.337  -1.925   2.573          0.058
+ATOM      7  CB  ALA     4       0.508  -1.095   2.601          0.022
+ATOM      8  CA  CYS     5      -1.912  -3.066   5.383          0.033
+ATOM      9  CB  CYS     5      -3.116  -2.597   5.641          0.055
+ATOM     10  CA  ALA     6      -1.209  -6.813   4.762          0.004
+ATOM     11  CB  ALA     6      -0.996  -7.308   4.342          0.018
+ATOM     12  CA  ALA     7       2.259  -6.356   6.331          0.008
+ATOM     13  CB  ALA     7       2.645  -5.790   6.012          0.060
+ATOM     14  CA  ALA     8       0.722  -5.303   9.538          0.038
+ATOM     15  CB  ALA     8       0.122  -5.108   9.967          0.110
+ATOM     16  CA  ALA     9      -2.024  -7.940   9.109          0.014
+ATOM     17  CB  ALA     9      -2.263  -8.177   8.447          0.083
+ATOM     18  CA  ALA    10       0.409 -10.767   9.717          0.001
+ATOM     19  CB  ALA    10       0.714 -10.130   9.566          0.019
+ATOM     20  CA  ALA    11      -0.468 -11.035  13.373          0.035
+ATOM     21  CB  ALA    11      -0.065 -11.442  13.808          0.151
+ATOM     22  CA  ALA    12      -0.309  -7.288  13.736          0.003
+ATOM     23  CB  ALA    12       0.303  -7.629  13.466          0.020
+ATOM     24  CA  ALA    13      -3.892  -5.981  13.423          0.016
+ATOM     25  CB  ALA    13      -4.040  -6.035  14.143          0.050
+ATOM     26  CA  CYS    14      -4.303  -3.141  10.966          0.022
+ATOM     27  CB  CYS    14      -3.865  -3.604   9.896          0.010
+ATOM     28  CA  ALA    15      -7.980  -4.248  10.962          0.033
+ATOM     29  CB  ALA    15      -8.160  -4.115  11.646          0.042
+ATOM     30  CA  ALA    16      -8.995  -1.059   9.180          0.005
+ATOM     31  CB  ALA    16      -8.760  -0.465   9.622          0.003
+ATOM     32  CA  ALA    17      -9.239   0.120   5.507          0.032
+ATOM     33  CB  ALA    17      -9.694   0.731   5.332          0.089
+ATOM     34  CA  GLY    18      -6.223   1.670   3.892          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  754.50                                       ENERGY    -1.62746E+01
+ATOM      1  CA  GLY     1       1.375  -3.235  -3.927          0.013
+ATOM      2  CA  ALA     2      -1.628  -3.339  -1.751          0.001
+ATOM      3  CB  ALA     2      -2.181  -3.894  -1.952          0.042
+ATOM      4  CA  ALA     3       0.471  -5.284   0.811          0.027
+ATOM      5  CB  ALA     3       1.241  -5.465   0.651          0.020
+ATOM      6  CA  ALA     4       0.824  -2.083   2.807          0.052
+ATOM      7  CB  ALA     4       0.605  -1.580   2.430          0.059
+ATOM      8  CA  CYS     5      -2.144  -2.935   4.894          0.044
+ATOM      9  CB  CYS     5      -3.200  -2.420   4.550          0.040
+ATOM     10  CA  ALA     6      -1.396  -6.634   4.486          0.012
+ATOM     11  CB  ALA     6      -1.748  -6.832   3.779          0.034
+ATOM     12  CA  ALA     7       1.953  -6.264   6.333          0.011
+ATOM     13  CB  ALA     7       2.538  -6.069   5.952          0.029
+ATOM     14  CA  ALA     8       0.052  -5.259   9.465          0.024
+ATOM     15  CB  ALA     8       0.544  -4.794   9.261          0.126
+ATOM     16  CA  ALA     9      -2.114  -8.421   9.183          0.003
+ATOM     17  CB  ALA     9      -2.417  -8.419   8.451          0.047
+ATOM     18  CA  ALA    10       0.832 -10.662   9.796          0.003
+ATOM     19  CB  ALA    10       1.483 -11.096   9.864          0.117
+ATOM     20  CA  ALA    11      -0.535 -11.044  13.280          0.021
+ATOM     21  CB  ALA    11      -0.805 -11.225  13.907          0.033
+ATOM     22  CA  ALA    12       0.188  -7.323  14.066          0.007
+ATOM     23  CB  ALA    12       0.186  -6.629  13.764          0.033
+ATOM     24  CA  ALA    13      -3.327  -5.836  13.591          0.006
+ATOM     25  CB  ALA    13      -3.681  -5.495  14.162          0.096
+ATOM     26  CA  CYS    14      -4.547  -3.609  10.771          0.008
+ATOM     27  CB  CYS    14      -4.065  -4.010   9.756          0.009
+ATOM     28  CA  ALA    15      -8.326  -4.036  11.147          0.023
+ATOM     29  CB  ALA    15      -8.726  -4.526  11.607          0.173
+ATOM     30  CA  ALA    16      -9.050  -0.760   9.385          0.008
+ATOM     31  CB  ALA    16      -8.794  -0.186   9.588          0.008
+ATOM     32  CA  ALA    17      -8.939  -0.057   5.636          0.009
+ATOM     33  CB  ALA    17      -9.686  -0.208   5.545          0.033
+ATOM     34  CA  GLY    18      -6.428   2.788   5.117          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  759.50                                       ENERGY    -2.15184E+01
+ATOM      1  CA  GLY     1       1.145  -2.553  -3.822          0.034
+ATOM      2  CA  ALA     2      -1.694  -3.541  -1.438          0.010
+ATOM      3  CB  ALA     2      -2.124  -4.091  -1.536          0.036
+ATOM      4  CA  ALA     3       0.885  -5.357   0.687          0.019
+ATOM      5  CB  ALA     3       1.416  -5.705   0.367          0.058
+ATOM      6  CA  ALA     4       1.432  -2.421   3.128          0.015
+ATOM      7  CB  ALA     4       1.792  -1.714   3.081          0.089
+ATOM      8  CA  CYS     5      -2.059  -2.871   4.561          0.019
+ATOM      9  CB  CYS     5      -3.103  -2.332   4.250          0.058
+ATOM     10  CA  ALA     6      -1.909  -6.599   4.239          0.023
+ATOM     11  CB  ALA     6      -1.629  -7.174   3.844          0.105
+ATOM     12  CA  ALA     7       1.675  -6.440   5.564          0.036
+ATOM     13  CB  ALA     7       2.247  -6.095   5.141          0.231
+ATOM     14  CA  ALA     8       0.451  -5.481   8.993          0.007
+ATOM     15  CB  ALA     8      -0.030  -4.876   9.151          0.043
+ATOM     16  CA  ALA     9      -2.185  -8.255   9.140          0.020
+ATOM     17  CB  ALA     9      -2.456  -8.423   8.538          0.063
+ATOM     18  CA  ALA    10       0.669 -10.627  10.121          0.015
+ATOM     19  CB  ALA    10       1.184 -10.156  10.092          0.069
+ATOM     20  CA  ALA    11      -0.544 -10.523  13.699          0.020
+ATOM     21  CB  ALA    11      -0.145 -11.154  13.819          0.036
+ATOM     22  CA  ALA    12       0.541  -6.955  14.172          0.021
+ATOM     23  CB  ALA    12       0.990  -7.049  13.577          0.018
+ATOM     24  CA  ALA    13      -3.085  -5.949  13.660          0.020
+ATOM     25  CB  ALA    13      -3.483  -5.948  14.366          0.067
+ATOM     26  CA  CYS    14      -5.025  -3.941  10.981          0.019
+ATOM     27  CB  CYS    14      -4.995  -4.327   9.822          0.029
+ATOM     28  CA  ALA    15      -8.851  -4.019  10.647          0.035
+ATOM     29  CB  ALA    15      -9.366  -4.090  11.190          0.098
+ATOM     30  CA  ALA    16      -9.097  -0.374   9.729          0.008
+ATOM     31  CB  ALA    16      -8.535   0.129  10.051          0.074
+ATOM     32  CA  ALA    17      -8.466  -0.450   5.946          0.003
+ATOM     33  CB  ALA    17      -8.870  -0.482   5.369          0.079
+ATOM     34  CA  GLY    18      -7.248   3.124   5.454          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  764.50                                       ENERGY    -2.03364E+01
+ATOM      1  CA  GLY     1       0.616  -1.790  -3.378          0.065
+ATOM      2  CA  ALA     2      -1.695  -3.232  -0.746          0.089
+ATOM      3  CB  ALA     2      -2.374  -3.361  -0.633          0.121
+ATOM      4  CA  ALA     3       0.987  -5.446   0.540          0.009
+ATOM      5  CB  ALA     3       1.571  -5.568  -0.039          0.035
+ATOM      6  CA  ALA     4       1.779  -3.134   3.397          0.065
+ATOM      7  CB  ALA     4       1.809  -2.405   3.052          0.069
+ATOM      8  CA  CYS     5      -1.827  -3.198   4.551          0.004
+ATOM      9  CB  CYS     5      -2.470  -2.475   3.644          0.044
+ATOM     10  CA  ALA     6      -1.746  -6.991   4.043          0.004
+ATOM     11  CB  ALA     6      -2.087  -7.341   3.561          0.088
+ATOM     12  CA  ALA     7       1.517  -7.070   6.036          0.029
+ATOM     13  CB  ALA     7       1.993  -7.016   5.480          0.148
+ATOM     14  CA  ALA     8      -0.065  -5.062   8.838          0.007
+ATOM     15  CB  ALA     8      -0.185  -4.443   9.243          0.017
+ATOM     16  CA  ALA     9      -2.195  -8.152   9.520          0.015
+ATOM     17  CB  ALA     9      -2.172  -8.568   8.851          0.037
+ATOM     18  CA  ALA    10       0.893 -10.331   9.743          0.019
+ATOM     19  CB  ALA    10       1.387 -10.013   9.277          0.044
+ATOM     20  CA  ALA    11       0.111 -10.593  13.422          0.008
+ATOM     21  CB  ALA    11       0.357 -10.477  14.070          0.117
+ATOM     22  CA  ALA    12       0.337  -6.788  13.806          0.005
+ATOM     23  CB  ALA    12       0.728  -6.293  13.418          0.160
+ATOM     24  CA  ALA    13      -3.432  -6.237  13.490          0.002
+ATOM     25  CB  ALA    13      -3.377  -5.975  14.128          0.034
+ATOM     26  CA  CYS    14      -5.539  -4.447  10.902          0.004
+ATOM     27  CB  CYS    14      -4.895  -4.293   9.938          0.002
+ATOM     28  CA  ALA    15      -9.304  -3.713  10.897          0.017
+ATOM     29  CB  ALA    15     -10.091  -3.777  11.075          0.082
+ATOM     30  CA  ALA    16      -8.961  -0.110   9.682          0.010
+ATOM     31  CB  ALA    16      -8.452   0.367  10.013          0.049
+ATOM     32  CA  ALA    17      -7.993  -0.470   6.006          0.002
+ATOM     33  CB  ALA    17      -8.280  -1.088   5.665          0.089
+ATOM     34  CA  GLY    18      -7.964   3.274   5.375          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  769.50                                       ENERGY    -2.35745E+01
+ATOM      1  CA  GLY     1       0.133  -0.577  -2.677          0.018
+ATOM      2  CA  ALA     2      -1.952  -3.015  -0.424          0.035
+ATOM      3  CB  ALA     2      -2.608  -3.349  -0.654          0.015
+ATOM      4  CA  ALA     3       0.879  -5.543   0.295          0.036
+ATOM      5  CB  ALA     3       1.463  -5.815   0.046          0.043
+ATOM      6  CA  ALA     4       2.061  -3.561   3.301          0.003
+ATOM      7  CB  ALA     4       2.749  -3.335   3.455          0.049
+ATOM      8  CA  CYS     5      -1.534  -3.387   4.431          0.011
+ATOM      9  CB  CYS     5      -2.464  -2.681   4.104          0.025
+ATOM     10  CA  ALA     6      -1.637  -7.183   4.293          0.002
+ATOM     11  CB  ALA     6      -1.769  -7.575   3.699          0.035
+ATOM     12  CA  ALA     7       1.659  -7.230   6.030          0.051
+ATOM     13  CB  ALA     7       2.350  -7.071   6.285          0.127
+ATOM     14  CA  ALA     8      -0.087  -5.417   8.967          0.012
+ATOM     15  CB  ALA     8      -0.277  -4.679   8.722          0.043
+ATOM     16  CA  ALA     9      -2.472  -8.414   9.189          0.009
+ATOM     17  CB  ALA     9      -3.091  -8.447   8.712          0.104
+ATOM     18  CA  ALA    10       0.697 -10.431   9.554          0.011
+ATOM     19  CB  ALA    10       1.340 -10.132   9.257          0.021
+ATOM     20  CA  ALA    11       1.012  -9.832  13.272          0.023
+ATOM     21  CB  ALA    11       1.531 -10.402  13.323          0.071
+ATOM     22  CA  ALA    12      -0.132  -6.247  13.131          0.042
+ATOM     23  CB  ALA    12      -0.183  -5.652  12.660          0.031
+ATOM     24  CA  ALA    13      -3.911  -6.402  13.633          0.012
+ATOM     25  CB  ALA    13      -4.382  -6.145  14.168          0.027
+ATOM     26  CA  CYS    14      -5.384  -3.866  11.222          0.034
+ATOM     27  CB  CYS    14      -5.005  -4.327  10.124          0.048
+ATOM     28  CA  ALA    15      -9.141  -3.598  10.567          0.055
+ATOM     29  CB  ALA    15      -9.578  -3.882  11.070          0.037
+ATOM     30  CA  ALA    16      -8.909   0.192   9.774          0.048
+ATOM     31  CB  ALA    16      -8.437   0.691  10.134          0.069
+ATOM     32  CA  ALA    17      -7.452  -0.568   6.278          0.026
+ATOM     33  CB  ALA    17      -7.367  -1.091   5.716          0.038
+ATOM     34  CA  GLY    18      -9.035   2.614   4.793          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  774.50                                       ENERGY    -1.92239E+01
+ATOM      1  CA  GLY     1       0.289  -0.523  -1.077          0.041
+ATOM      2  CA  ALA     2      -2.021  -3.088   0.242          0.059
+ATOM      3  CB  ALA     2      -2.767  -3.079   0.031          0.034
+ATOM      4  CA  ALA     3       0.892  -5.539   0.201          0.027
+ATOM      5  CB  ALA     3       1.142  -5.279  -0.437          0.002
+ATOM      6  CA  ALA     4       1.915  -3.275   3.082          0.035
+ATOM      7  CB  ALA     4       1.593  -2.634   2.753          0.056
+ATOM      8  CA  CYS     5      -1.519  -3.751   4.691          0.010
+ATOM      9  CB  CYS     5      -2.582  -3.201   4.299          0.012
+ATOM     10  CA  ALA     6      -1.135  -7.455   3.863          0.023
+ATOM     11  CB  ALA     6      -0.934  -8.001   3.375          0.108
+ATOM     12  CA  ALA     7       1.640  -7.839   6.363          0.017
+ATOM     13  CB  ALA     7       2.021  -7.754   5.681          0.056
+ATOM     14  CA  ALA     8      -0.163  -5.468   8.736          0.011
+ATOM     15  CB  ALA     8      -0.401  -4.803   8.941          0.010
+ATOM     16  CA  ALA     9      -2.570  -8.279   9.138          0.014
+ATOM     17  CB  ALA     9      -2.805  -8.518   8.427          0.041
+ATOM     18  CA  ALA    10       0.274 -10.797   9.345          0.003
+ATOM     19  CB  ALA    10       0.884 -10.828   8.910          0.185
+ATOM     20  CA  ALA    11       1.434  -9.409  12.709          0.001
+ATOM     21  CB  ALA    11       2.057  -9.226  13.072          0.097
+ATOM     22  CA  ALA    12      -0.389  -6.347  14.125          0.007
+ATOM     23  CB  ALA    12      -0.393  -5.962  13.491          0.026
+ATOM     24  CA  ALA    13      -4.157  -6.358  13.435          0.016
+ATOM     25  CB  ALA    13      -4.447  -6.759  13.998          0.015
+ATOM     26  CA  CYS    14      -5.168  -3.330  11.384          0.007
+ATOM     27  CB  CYS    14      -4.817  -3.450  10.117          0.052
+ATOM     28  CA  ALA    15      -8.754  -3.479  10.212          0.021
+ATOM     29  CB  ALA    15      -9.371  -3.908  10.465          0.011
+ATOM     30  CA  ALA    16      -9.015   0.277   9.836          0.019
+ATOM     31  CB  ALA    16      -8.482   0.793  10.145          0.029
+ATOM     32  CA  ALA    17      -7.233   0.258   6.476          0.013
+ATOM     33  CB  ALA    17      -6.790  -0.448   6.562          0.145
+ATOM     34  CA  GLY    18      -9.367   0.838   3.417          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  779.49                                       ENERGY    -2.07831E+01
+ATOM      1  CA  GLY     1      -0.799   0.418  -0.116          0.039
+ATOM      2  CA  ALA     2      -2.701  -2.907   0.075          0.039
+ATOM      3  CB  ALA     2      -2.958  -2.918  -0.526          0.035
+ATOM      4  CA  ALA     3       0.420  -5.125   0.325          0.004
+ATOM      5  CB  ALA     3       1.144  -5.362   0.200          0.076
+ATOM      6  CA  ALA     4       1.654  -3.383   3.445          0.057
+ATOM      7  CB  ALA     4       2.137  -2.956   3.667          0.047
+ATOM      8  CA  CYS     5      -1.799  -4.197   4.865          0.005
+ATOM      9  CB  CYS     5      -2.882  -3.644   4.658          0.025
+ATOM     10  CA  ALA     6      -1.226  -7.898   4.107          0.029
+ATOM     11  CB  ALA     6      -1.066  -8.170   3.422          0.108
+ATOM     12  CA  ALA     7       2.178  -7.625   5.739          0.011
+ATOM     13  CB  ALA     7       2.781  -7.294   6.146          0.013
+ATOM     14  CA  ALA     8       0.901  -5.884   8.826          0.010
+ATOM     15  CB  ALA     8       0.568  -5.146   8.822          0.144
+ATOM     16  CA  ALA     9      -2.309  -7.936   8.865          0.043
+ATOM     17  CB  ALA     9      -2.665  -8.558   8.679          0.117
+ATOM     18  CA  ALA    10      -0.209 -11.071   9.444          0.020
+ATOM     19  CB  ALA    10       0.040 -11.573   8.950          0.014
+ATOM     20  CA  ALA    11       1.686  -9.250  12.219          0.021
+ATOM     21  CB  ALA    11       2.375  -8.962  12.279          0.133
+ATOM     22  CA  ALA    12      -0.582  -6.677  13.817          0.031
+ATOM     23  CB  ALA    12      -0.232  -6.177  14.210          0.037
+ATOM     24  CA  ALA    13      -4.312  -6.320  13.174          0.015
+ATOM     25  CB  ALA    13      -4.813  -6.628  13.635          0.025
+ATOM     26  CA  CYS    14      -5.396  -3.029  11.550          0.006
+ATOM     27  CB  CYS    14      -4.654  -2.837  10.499          0.041
+ATOM     28  CA  ALA    15      -8.780  -3.261   9.830          0.026
+ATOM     29  CB  ALA    15      -9.220  -3.752  10.226          0.039
+ATOM     30  CA  ALA    16      -8.859   0.625   9.496          0.016
+ATOM     31  CB  ALA    16      -9.010   0.890  10.173          0.057
+ATOM     32  CA  ALA    17      -7.012   0.630   6.068          0.042
+ATOM     33  CB  ALA    17      -6.281   0.485   6.029          0.007
+ATOM     34  CA  GLY    18      -8.773  -1.301   3.243          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  784.49                                       ENERGY    -2.47254E+01
+ATOM      1  CA  GLY     1      -0.961   0.365   0.710          0.042
+ATOM      2  CA  ALA     2      -2.904  -2.890   0.681          0.017
+ATOM      3  CB  ALA     2      -3.575  -3.246   0.351          0.184
+ATOM      4  CA  ALA     3       0.386  -4.787   0.475          0.007
+ATOM      5  CB  ALA     3       1.032  -4.709   0.106          0.081
+ATOM      6  CA  ALA     4       1.483  -3.223   3.778          0.009
+ATOM      7  CB  ALA     4       1.686  -2.510   4.007          0.113
+ATOM      8  CA  CYS     5      -1.779  -4.395   5.229          0.027
+ATOM      9  CB  CYS     5      -2.734  -3.784   4.661          0.086
+ATOM     10  CA  ALA     6      -1.077  -7.978   4.197          0.011
+ATOM     11  CB  ALA     6      -1.327  -8.431   3.665          0.046
+ATOM     12  CA  ALA     7       2.361  -7.871   5.913          0.042
+ATOM     13  CB  ALA     7       2.880  -7.932   5.457          0.036
+ATOM     14  CA  ALA     8       0.843  -5.862   8.784          0.033
+ATOM     15  CB  ALA     8       0.781  -5.120   8.965          0.046
+ATOM     16  CA  ALA     9      -2.328  -8.048   9.096          0.009
+ATOM     17  CB  ALA     9      -2.831  -7.510   8.743          0.204
+ATOM     18  CA  ALA    10      -0.252 -11.064   9.803          0.026
+ATOM     19  CB  ALA    10       0.000 -11.675   9.394          0.028
+ATOM     20  CA  ALA    11       2.048  -8.777  11.782          0.007
+ATOM     21  CB  ALA    11       2.327  -8.359  11.195          0.028
+ATOM     22  CA  ALA    12      -0.852  -7.684  13.946          0.013
+ATOM     23  CB  ALA    12      -0.879  -7.207  14.502          0.128
+ATOM     24  CA  ALA    13      -3.872  -6.066  12.276          0.017
+ATOM     25  CB  ALA    13      -4.470  -6.013  12.750          0.046
+ATOM     26  CA  CYS    14      -5.287  -2.693  11.332          0.001
+ATOM     27  CB  CYS    14      -4.483  -2.735  10.373          0.042
+ATOM     28  CA  ALA    15      -8.627  -3.180   9.471          0.042
+ATOM     29  CB  ALA    15      -9.332  -3.108   9.646          0.029
+ATOM     30  CA  ALA    16      -8.991   0.654   8.887          0.011
+ATOM     31  CB  ALA    16      -8.783   1.341   9.160          0.057
+ATOM     32  CA  ALA    17      -6.667   0.325   5.921          0.063
+ATOM     33  CB  ALA    17      -6.045   0.033   6.241          0.029
+ATOM     34  CA  GLY    18      -9.092  -2.229   4.318          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  789.49                                       ENERGY    -2.66623E+01
+ATOM      1  CA  GLY     1      -1.432   0.476   1.257          0.019
+ATOM      2  CA  ALA     2      -2.831  -3.110   1.028          0.016
+ATOM      3  CB  ALA     2      -3.307  -3.460   0.625          0.092
+ATOM      4  CA  ALA     3       0.532  -4.743   0.590          0.065
+ATOM      5  CB  ALA     3       0.758  -4.485  -0.123          0.015
+ATOM      6  CA  ALA     4       1.541  -3.373   3.980          0.037
+ATOM      7  CB  ALA     4       1.625  -2.753   3.632          0.013
+ATOM      8  CA  CYS     5      -1.826  -4.406   5.240          0.032
+ATOM      9  CB  CYS     5      -2.806  -3.764   4.781          0.041
+ATOM     10  CA  ALA     6      -1.056  -7.909   3.999          0.008
+ATOM     11  CB  ALA     6      -0.935  -7.778   3.276          0.008
+ATOM     12  CA  ALA     7       2.096  -7.934   6.081          0.039
+ATOM     13  CB  ALA     7       2.449  -7.350   5.723          0.066
+ATOM     14  CA  ALA     8       0.621  -5.713   8.882          0.010
+ATOM     15  CB  ALA     8       0.484  -5.083   9.028          0.020
+ATOM     16  CA  ALA     9      -2.472  -7.970   8.823          0.022
+ATOM     17  CB  ALA     9      -2.811  -8.319   8.226          0.375
+ATOM     18  CA  ALA    10      -0.203 -10.900   9.861          0.011
+ATOM     19  CB  ALA    10       0.100 -11.263   9.251          0.082
+ATOM     20  CA  ALA    11       2.014  -8.737  12.049          0.005
+ATOM     21  CB  ALA    11       2.478  -8.136  11.967          0.060
+ATOM     22  CA  ALA    12      -1.139  -7.703  13.953          0.027
+ATOM     23  CB  ALA    12      -0.697  -7.499  14.586          0.031
+ATOM     24  CA  ALA    13      -4.205  -6.303  12.235          0.003
+ATOM     25  CB  ALA    13      -4.386  -6.195  12.921          0.116
+ATOM     26  CA  CYS    14      -4.778  -2.939  10.581          0.010
+ATOM     27  CB  CYS    14      -4.368  -2.773   9.461          0.043
+ATOM     28  CA  ALA    15      -8.572  -2.726  10.082          0.011
+ATOM     29  CB  ALA    15      -9.088  -3.089  10.578          0.175
+ATOM     30  CA  ALA    16      -8.545   0.831   8.779          0.012
+ATOM     31  CB  ALA    16      -8.221   1.452   9.143          0.098
+ATOM     32  CA  ALA    17      -6.650  -0.225   5.684          0.023
+ATOM     33  CB  ALA    17      -5.997  -0.090   5.948          0.061
+ATOM     34  CA  GLY    18      -9.526  -2.232   4.283          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  794.49                                       ENERGY    -2.35256E+01
+ATOM      1  CA  GLY     1      -2.052   0.228   1.408          0.017
+ATOM      2  CA  ALA     2      -2.676  -3.213   0.053          0.046
+ATOM      3  CB  ALA     2      -3.283  -3.131  -0.514          0.034
+ATOM      4  CA  ALA     3       0.718  -4.947   0.282          0.005
+ATOM      5  CB  ALA     3       1.392  -5.104   0.089          0.055
+ATOM      6  CA  ALA     4       1.498  -3.123   3.524          0.039
+ATOM      7  CB  ALA     4       1.356  -2.581   4.009          0.092
+ATOM      8  CA  CYS     5      -1.937  -4.091   4.915          0.010
+ATOM      9  CB  CYS     5      -2.857  -3.449   4.305          0.029
+ATOM     10  CA  ALA     6      -0.896  -7.690   4.205          0.020
+ATOM     11  CB  ALA     6      -1.026  -8.191   3.694          0.111
+ATOM     12  CA  ALA     7       2.186  -7.221   6.258          0.061
+ATOM     13  CB  ALA     7       2.865  -7.140   6.082          0.035
+ATOM     14  CA  ALA     8       0.075  -5.792   8.982          0.034
+ATOM     15  CB  ALA     8       0.008  -5.132   9.351          0.080
+ATOM     16  CA  ALA     9      -2.287  -8.769   8.412          0.020
+ATOM     17  CB  ALA     9      -2.768  -9.075   7.990          0.067
+ATOM     18  CA  ALA    10       0.470 -11.172   9.546          0.017
+ATOM     19  CB  ALA    10       0.966 -11.451   9.021          0.118
+ATOM     20  CA  ALA    11       1.527  -8.873  12.337          0.032
+ATOM     21  CB  ALA    11       1.758  -8.237  12.028          0.121
+ATOM     22  CA  ALA    12      -1.213  -7.231  14.428          0.008
+ATOM     23  CB  ALA    12      -1.205  -6.784  15.012          0.047
+ATOM     24  CA  ALA    13      -4.347  -6.346  12.582          0.005
+ATOM     25  CB  ALA    13      -4.970  -5.986  12.925          0.078
+ATOM     26  CA  CYS    14      -4.542  -3.121  10.528          0.002
+ATOM     27  CB  CYS    14      -3.975  -3.548   9.579          0.044
+ATOM     28  CA  ALA    15      -8.263  -2.713   9.978          0.049
+ATOM     29  CB  ALA    15      -8.759  -2.767  10.503          0.096
+ATOM     30  CA  ALA    16      -8.109   0.877   9.222          0.046
+ATOM     31  CB  ALA    16      -7.944   1.413   9.673          0.056
+ATOM     32  CA  ALA    17      -6.929   0.262   5.691          0.018
+ATOM     33  CB  ALA    17      -6.344  -0.220   5.848          0.090
+ATOM     34  CA  GLY    18     -10.058  -1.800   5.089          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  799.44                                       ENERGY    -1.51370E+01
+ATOM      1  CA  GLY     1      -2.163   0.285   0.458          0.069
+ATOM      2  CA  ALA     2      -2.197  -3.339  -0.648          0.006
+ATOM      3  CB  ALA     2      -2.345  -3.624  -1.331          0.069
+ATOM      4  CA  ALA     3       0.987  -4.974   0.641          0.011
+ATOM      5  CB  ALA     3       1.319  -5.066  -0.107          0.029
+ATOM      6  CA  ALA     4       1.122  -2.781   3.758          0.014
+ATOM      7  CB  ALA     4       1.695  -2.356   3.359          0.017
+ATOM      8  CA  CYS     5      -2.217  -4.275   4.776          0.019
+ATOM      9  CB  CYS     5      -3.010  -3.818   4.047          0.004
+ATOM     10  CA  ALA     6      -0.907  -7.683   3.801          0.006
+ATOM     11  CB  ALA     6      -0.706  -8.046   3.217          0.034
+ATOM     12  CA  ALA     7       2.207  -6.920   5.983          0.017
+ATOM     13  CB  ALA     7       2.265  -6.208   5.823          0.101
+ATOM     14  CA  ALA     8       0.004  -5.724   8.892          0.022
+ATOM     15  CB  ALA     8      -0.436  -5.221   9.106          0.024
+ATOM     16  CA  ALA     9      -2.219  -8.819   8.872          0.022
+ATOM     17  CB  ALA     9      -2.468  -8.421   8.270          0.043
+ATOM     18  CA  ALA    10       0.597 -11.136   9.902          0.002
+ATOM     19  CB  ALA    10       1.030 -10.977   9.397          0.054
+ATOM     20  CA  ALA    11       1.627  -8.997  12.829          0.016
+ATOM     21  CB  ALA    11       2.227  -8.639  12.594          0.021
+ATOM     22  CA  ALA    12      -1.493  -7.539  14.480          0.012
+ATOM     23  CB  ALA    12      -1.412  -7.167  15.064          0.021
+ATOM     24  CA  ALA    13      -4.620  -6.358  12.711          0.067
+ATOM     25  CB  ALA    13      -4.948  -6.103  13.351          0.041
+ATOM     26  CA  CYS    14      -4.501  -3.277  10.524          0.036
+ATOM     27  CB  CYS    14      -4.576  -3.823   9.423          0.012
+ATOM     28  CA  ALA    15      -8.201  -2.870  10.394          0.017
+ATOM     29  CB  ALA    15      -8.759  -3.093  10.720          0.063
+ATOM     30  CA  ALA    16      -7.631   0.838   9.640          0.019
+ATOM     31  CB  ALA    16      -7.037   1.205   9.736          0.053
+ATOM     32  CA  ALA    17      -7.000   0.296   5.883          0.024
+ATOM     33  CB  ALA    17      -6.435  -0.115   5.773          0.096
+ATOM     34  CA  GLY    18     -10.573  -0.742   5.498          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  804.44                                       ENERGY    -3.10792E+01
+ATOM      1  CA  GLY     1      -1.042  -0.271  -0.996          0.039
+ATOM      2  CA  ALA     2      -2.362  -3.743  -0.428          0.032
+ATOM      3  CB  ALA     2      -2.427  -4.172  -1.072          0.136
+ATOM      4  CA  ALA     3       1.253  -4.670   0.222          0.003
+ATOM      5  CB  ALA     3       2.038  -4.755  -0.050          0.023
+ATOM      6  CA  ALA     4       1.156  -2.873   3.586          0.019
+ATOM      7  CB  ALA     4       0.685  -2.253   3.600          0.036
+ATOM      8  CA  CYS     5      -2.370  -4.083   4.397          0.015
+ATOM      9  CB  CYS     5      -3.310  -3.762   3.746          0.027
+ATOM     10  CA  ALA     6      -1.244  -7.725   4.503          0.005
+ATOM     11  CB  ALA     6      -1.063  -8.015   3.835          0.058
+ATOM     12  CA  ALA     7       2.107  -6.760   6.049          0.010
+ATOM     13  CB  ALA     7       2.764  -6.741   5.618          0.103
+ATOM     14  CA  ALA     8       0.248  -5.436   9.131          0.022
+ATOM     15  CB  ALA     8       0.295  -4.815   9.531          0.077
+ATOM     16  CA  ALA     9      -2.145  -8.328   8.769          0.022
+ATOM     17  CB  ALA     9      -2.590  -8.681   8.281          0.063
+ATOM     18  CA  ALA    10       0.737 -10.718   9.592          0.005
+ATOM     19  CB  ALA    10       1.319 -10.945   9.157          0.016
+ATOM     20  CA  ALA    11       1.636  -8.473  12.525          0.059
+ATOM     21  CB  ALA    11       1.916  -7.751  12.509          0.085
+ATOM     22  CA  ALA    12      -1.522  -8.273  14.628          0.054
+ATOM     23  CB  ALA    12      -1.461  -8.142  15.352          0.072
+ATOM     24  CA  ALA    13      -4.532  -6.803  12.847          0.041
+ATOM     25  CB  ALA    13      -5.004  -6.920  13.472          0.021
+ATOM     26  CA  CYS    14      -4.956  -3.830  10.470          0.010
+ATOM     27  CB  CYS    14      -4.287  -4.160   9.459          0.069
+ATOM     28  CA  ALA    15      -8.498  -2.525  10.522          0.001
+ATOM     29  CB  ALA    15      -9.119  -2.393  11.047          0.084
+ATOM     30  CA  ALA    16      -7.380   1.052   9.743          0.033
+ATOM     31  CB  ALA    16      -6.822   1.404   9.839          0.092
+ATOM     32  CA  ALA    17      -7.043   0.099   6.093          0.011
+ATOM     33  CB  ALA    17      -6.903  -0.557   5.873          0.189
+ATOM     34  CA  GLY    18     -10.816   0.424   5.542          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  809.43                                       ENERGY    -2.38239E+01
+ATOM      1  CA  GLY     1      -0.302  -1.345  -2.353          0.070
+ATOM      2  CA  ALA     2      -2.330  -3.971  -0.451          0.027
+ATOM      3  CB  ALA     2      -2.293  -4.471  -0.853          0.001
+ATOM      4  CA  ALA     3       1.028  -5.124   0.943          0.023
+ATOM      5  CB  ALA     3       1.478  -4.792   0.510          0.035
+ATOM      6  CA  ALA     4       0.818  -2.775   3.894          0.024
+ATOM      7  CB  ALA     4       1.395  -2.371   3.693          0.040
+ATOM      8  CA  CYS     5      -2.527  -4.246   4.816          0.002
+ATOM      9  CB  CYS     5      -3.100  -3.345   4.077          0.029
+ATOM     10  CA  ALA     6      -0.880  -7.611   4.025          0.000
+ATOM     11  CB  ALA     6      -0.988  -8.120   3.487          0.083
+ATOM     12  CA  ALA     7       2.046  -6.595   6.084          0.049
+ATOM     13  CB  ALA     7       2.433  -5.960   5.973          0.090
+ATOM     14  CA  ALA     8      -0.239  -5.004   8.710          0.023
+ATOM     15  CB  ALA     8      -0.448  -4.297   8.566          0.021
+ATOM     16  CA  ALA     9      -2.274  -8.164   8.671          0.018
+ATOM     17  CB  ALA     9      -2.395  -8.806   8.219          0.040
+ATOM     18  CA  ALA    10       0.784 -10.168   9.670          0.055
+ATOM     19  CB  ALA    10       1.358 -10.469   9.247          0.054
+ATOM     20  CA  ALA    11       1.750  -7.771  12.404          0.013
+ATOM     21  CB  ALA    11       1.397  -7.163  12.133          0.081
+ATOM     22  CA  ALA    12      -1.354  -9.111  14.091          0.021
+ATOM     23  CB  ALA    12      -1.588  -8.743  14.697          0.072
+ATOM     24  CA  ALA    13      -4.418  -7.391  12.757          0.011
+ATOM     25  CB  ALA    13      -4.981  -7.882  12.831          0.074
+ATOM     26  CA  CYS    14      -4.888  -3.765  11.609          0.050
+ATOM     27  CB  CYS    14      -4.737  -3.869  10.422          0.059
+ATOM     28  CA  ALA    15      -8.360  -2.512  10.632          0.032
+ATOM     29  CB  ALA    15      -8.831  -2.329  11.221          0.035
+ATOM     30  CA  ALA    16      -6.872   0.752   9.448          0.016
+ATOM     31  CB  ALA    16      -6.484   0.952  10.008          0.100
+ATOM     32  CA  ALA    17      -7.284  -0.248   5.874          0.062
+ATOM     33  CB  ALA    17      -7.061  -0.896   5.587          0.037
+ATOM     34  CA  GLY    18     -10.552   1.547   5.433          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  814.43                                       ENERGY    -1.85299E+01
+ATOM      1  CA  GLY     1      -0.362  -2.221  -3.405          0.010
+ATOM      2  CA  ALA     2      -1.970  -4.055  -0.494          0.037
+ATOM      3  CB  ALA     2      -2.608  -4.434  -0.285          0.059
+ATOM      4  CA  ALA     3       1.320  -5.205   1.072          0.013
+ATOM      5  CB  ALA     3       1.929  -5.401   0.774          0.014
+ATOM      6  CA  ALA     4       0.962  -2.277   3.463          0.037
+ATOM      7  CB  ALA     4       0.465  -1.768   3.652          0.017
+ATOM      8  CA  CYS     5      -2.310  -3.962   4.411          0.039
+ATOM      9  CB  CYS     5      -3.153  -3.360   3.580          0.011
+ATOM     10  CA  ALA     6      -0.935  -7.447   4.283          0.022
+ATOM     11  CB  ALA     6      -0.781  -7.534   3.514          0.079
+ATOM     12  CA  ALA     7       1.935  -6.472   6.488          0.004
+ATOM     13  CB  ALA     7       2.532  -6.424   6.195          0.084
+ATOM     14  CA  ALA     8      -0.567  -5.188   9.089          0.019
+ATOM     15  CB  ALA     8      -0.581  -4.410   9.079          0.026
+ATOM     16  CA  ALA     9      -2.552  -8.398   8.645          0.034
+ATOM     17  CB  ALA     9      -2.868  -8.359   7.933          0.126
+ATOM     18  CA  ALA    10       0.728 -10.031   9.484          0.035
+ATOM     19  CB  ALA    10       1.175  -9.629   9.039          0.068
+ATOM     20  CA  ALA    11       1.479  -7.335  12.066          0.020
+ATOM     21  CB  ALA    11       1.519  -6.565  12.008          0.061
+ATOM     22  CA  ALA    12      -1.287  -9.077  14.024          0.004
+ATOM     23  CB  ALA    12      -1.057  -8.908  14.766          0.046
+ATOM     24  CA  ALA    13      -4.555  -7.842  12.517          0.002
+ATOM     25  CB  ALA    13      -5.002  -8.383  12.717          0.062
+ATOM     26  CA  CYS    14      -5.272  -4.143  11.873          0.004
+ATOM     27  CB  CYS    14      -4.772  -3.611  10.878          0.030
+ATOM     28  CA  ALA    15      -8.540  -2.686  10.816          0.003
+ATOM     29  CB  ALA    15      -9.015  -2.416  11.371          0.019
+ATOM     30  CA  ALA    16      -6.552   0.403   9.633          0.009
+ATOM     31  CB  ALA    16      -6.078   0.969   9.470          0.014
+ATOM     32  CA  ALA    17      -7.078  -0.607   5.972          0.048
+ATOM     33  CB  ALA    17      -7.092  -1.236   5.830          0.096
+ATOM     34  CA  GLY    18      -9.755   2.100   5.765          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  819.40                                       ENERGY    -1.92364E+01
+ATOM      1  CA  GLY     1      -0.275  -3.098  -3.915          0.021
+ATOM      2  CA  ALA     2      -1.824  -4.397  -0.689          0.038
+ATOM      3  CB  ALA     2      -2.369  -4.931  -0.713          0.011
+ATOM      4  CA  ALA     3       1.630  -4.891   0.928          0.007
+ATOM      5  CB  ALA     3       2.109  -4.612   0.402          0.062
+ATOM      6  CA  ALA     4       0.770  -2.142   3.328          0.004
+ATOM      7  CB  ALA     4       1.431  -1.820   3.216          0.009
+ATOM      8  CA  CYS     5      -2.545  -3.577   4.477          0.017
+ATOM      9  CB  CYS     5      -3.672  -3.486   3.946          0.007
+ATOM     10  CA  ALA     6      -0.997  -7.037   4.368          0.013
+ATOM     11  CB  ALA     6      -0.685  -7.492   4.005          0.011
+ATOM     12  CA  ALA     7       1.877  -5.994   6.479          0.024
+ATOM     13  CB  ALA     7       2.173  -5.357   6.137          0.097
+ATOM     14  CA  ALA     8      -0.391  -4.716   9.104          0.018
+ATOM     15  CB  ALA     8      -0.810  -4.251   8.725          0.083
+ATOM     16  CA  ALA     9      -2.431  -7.868   8.454          0.008
+ATOM     17  CB  ALA     9      -2.884  -7.735   7.870          0.059
+ATOM     18  CA  ALA    10       0.429 -10.185   9.373          0.042
+ATOM     19  CB  ALA    10       0.680 -10.745   8.900          0.160
+ATOM     20  CA  ALA    11       1.437  -7.762  12.069          0.014
+ATOM     21  CB  ALA    11       1.860  -7.269  11.600          0.019
+ATOM     22  CA  ALA    12      -1.338  -8.649  14.493          0.021
+ATOM     23  CB  ALA    12      -0.936  -8.515  15.092          0.060
+ATOM     24  CA  ALA    13      -4.556  -7.976  12.708          0.003
+ATOM     25  CB  ALA    13      -5.248  -8.297  12.903          0.047
+ATOM     26  CA  CYS    14      -5.367  -4.398  11.759          0.008
+ATOM     27  CB  CYS    14      -5.127  -4.558  10.537          0.034
+ATOM     28  CA  ALA    15      -8.567  -2.501  11.268          0.003
+ATOM     29  CB  ALA    15      -9.222  -2.604  11.554          0.043
+ATOM     30  CA  ALA    16      -6.656   0.553   9.908          0.052
+ATOM     31  CB  ALA    16      -5.907   0.525   9.971          0.192
+ATOM     32  CA  ALA    17      -6.629  -0.556   6.241          0.010
+ATOM     33  CB  ALA    17      -6.711  -1.336   6.431          0.048
+ATOM     34  CA  GLY    18      -9.174   2.016   5.085          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  824.40                                       ENERGY    -2.21673E+01
+ATOM      1  CA  GLY     1      -0.303  -3.799  -4.018          0.027
+ATOM      2  CA  ALA     2      -2.002  -4.272  -0.720          0.041
+ATOM      3  CB  ALA     2      -2.398  -4.802  -0.547          0.020
+ATOM      4  CA  ALA     3       1.423  -4.755   0.897          0.038
+ATOM      5  CB  ALA     3       2.015  -4.783   0.486          0.014
+ATOM      6  CA  ALA     4       0.745  -2.069   3.472          0.033
+ATOM      7  CB  ALA     4       0.450  -1.465   3.113          0.120
+ATOM      8  CA  CYS     5      -2.462  -3.912   4.403          0.003
+ATOM      9  CB  CYS     5      -3.251  -3.470   3.571          0.041
+ATOM     10  CA  ALA     6      -0.671  -7.269   4.291          0.006
+ATOM     11  CB  ALA     6      -0.663  -7.236   3.519          0.057
+ATOM     12  CA  ALA     7       2.106  -5.859   6.509          0.071
+ATOM     13  CB  ALA     7       2.598  -5.385   6.222          0.019
+ATOM     14  CA  ALA     8      -0.436  -4.880   9.211          0.014
+ATOM     15  CB  ALA     8      -0.712  -4.306   9.606          0.050
+ATOM     16  CA  ALA     9      -2.668  -7.712   8.267          0.036
+ATOM     17  CB  ALA     9      -2.711  -7.692   7.557          0.037
+ATOM     18  CA  ALA    10      -0.001 -10.087   9.185          0.028
+ATOM     19  CB  ALA    10       0.498  -9.725   8.733          0.058
+ATOM     20  CA  ALA    11       1.895  -7.962  11.827          0.001
+ATOM     21  CB  ALA    11       1.670  -7.339  11.692          0.010
+ATOM     22  CA  ALA    12      -1.182  -8.415  14.127          0.044
+ATOM     23  CB  ALA    12      -1.359  -8.287  14.891          0.076
+ATOM     24  CA  ALA    13      -4.833  -8.043  13.201          0.029
+ATOM     25  CB  ALA    13      -5.192  -7.958  13.877          0.017
+ATOM     26  CA  CYS    14      -5.626  -4.727  11.522          0.005
+ATOM     27  CB  CYS    14      -5.144  -4.539  10.355          0.019
+ATOM     28  CA  ALA    15      -8.854  -2.682  11.078          0.005
+ATOM     29  CB  ALA    15      -9.235  -2.248  11.561          0.159
+ATOM     30  CA  ALA    16      -6.743   0.405  10.126          0.008
+ATOM     31  CB  ALA    16      -6.383   0.813  10.696          0.073
+ATOM     32  CA  ALA    17      -6.180  -0.976   6.662          0.002
+ATOM     33  CB  ALA    17      -6.379  -1.245   6.064          0.124
+ATOM     34  CA  GLY    18      -8.405   1.825   5.284          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  829.40                                       ENERGY    -2.24407E+01
+ATOM      1  CA  GLY     1      -0.979  -4.308  -4.547          0.006
+ATOM      2  CA  ALA     2      -1.813  -4.210  -0.836          0.006
+ATOM      3  CB  ALA     2      -2.473  -4.592  -0.616          0.040
+ATOM      4  CA  ALA     3       1.522  -4.742   0.911          0.014
+ATOM      5  CB  ALA     3       2.162  -4.805   0.724          0.023
+ATOM      6  CA  ALA     4       0.667  -2.064   3.604          0.007
+ATOM      7  CB  ALA     4       1.074  -1.458   3.659          0.043
+ATOM      8  CA  CYS     5      -2.434  -3.949   4.586          0.017
+ATOM      9  CB  CYS     5      -3.411  -3.476   3.928          0.017
+ATOM     10  CA  ALA     6      -0.438  -7.188   3.956          0.009
+ATOM     11  CB  ALA     6      -0.138  -7.572   3.327          0.014
+ATOM     12  CA  ALA     7       1.966  -5.902   6.610          0.008
+ATOM     13  CB  ALA     7       2.530  -5.471   6.515          0.024
+ATOM     14  CA  ALA     8      -0.863  -4.562   8.655          0.026
+ATOM     15  CB  ALA     8      -0.820  -3.803   8.483          0.027
+ATOM     16  CA  ALA     9      -2.602  -8.000   8.460          0.047
+ATOM     17  CB  ALA     9      -3.127  -8.259   8.026          0.114
+ATOM     18  CA  ALA    10       0.527 -10.084   8.922          0.026
+ATOM     19  CB  ALA    10       1.138 -10.023   8.458          0.125
+ATOM     20  CA  ALA    11       1.658  -7.818  11.805          0.039
+ATOM     21  CB  ALA    11       1.571  -7.108  11.568          0.037
+ATOM     22  CA  ALA    12      -1.347  -8.679  13.990          0.021
+ATOM     23  CB  ALA    12      -0.912  -8.637  14.537          0.046
+ATOM     24  CA  ALA    13      -4.978  -7.788  13.199          0.002
+ATOM     25  CB  ALA    13      -5.404  -8.279  13.454          0.086
+ATOM     26  CA  CYS    14      -5.803  -4.122  12.356          0.012
+ATOM     27  CB  CYS    14      -5.338  -4.263  11.219          0.037
+ATOM     28  CA  ALA    15      -8.812  -2.810  10.580          0.044
+ATOM     29  CB  ALA    15      -9.288  -3.124  11.167          0.012
+ATOM     30  CA  ALA    16      -7.294   0.601  10.129          0.005
+ATOM     31  CB  ALA    16      -6.577   0.803  10.275          0.123
+ATOM     32  CA  ALA    17      -5.835  -0.548   6.847          0.045
+ATOM     33  CB  ALA    17      -5.767  -1.241   6.903          0.024
+ATOM     34  CA  GLY    18      -8.064   1.754   4.907          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  834.40                                       ENERGY    -3.37647E+01
+ATOM      1  CA  GLY     1      -1.715  -5.089  -4.450          0.003
+ATOM      2  CA  ALA     2      -1.596  -3.488  -0.989          0.014
+ATOM      3  CB  ALA     2      -1.558  -3.355  -0.298          0.123
+ATOM      4  CA  ALA     3       1.599  -4.610   0.817          0.002
+ATOM      5  CB  ALA     3       2.160  -4.891   0.408          0.087
+ATOM      6  CA  ALA     4       0.910  -2.260   3.661          0.008
+ATOM      7  CB  ALA     4       0.703  -1.529   3.553          0.168
+ATOM      8  CA  CYS     5      -2.466  -3.990   4.427          0.038
+ATOM      9  CB  CYS     5      -3.535  -3.814   3.785          0.017
+ATOM     10  CA  ALA     6      -0.824  -7.438   4.216          0.014
+ATOM     11  CB  ALA     6      -0.620  -7.674   3.583          0.253
+ATOM     12  CA  ALA     7       2.053  -6.311   6.323          0.001
+ATOM     13  CB  ALA     7       2.549  -5.840   6.065          0.053
+ATOM     14  CA  ALA     8      -0.536  -4.660   8.585          0.048
+ATOM     15  CB  ALA     8      -0.668  -3.999   8.764          0.065
+ATOM     16  CA  ALA     9      -2.528  -7.944   8.401          0.034
+ATOM     17  CB  ALA     9      -2.881  -8.177   7.777          0.081
+ATOM     18  CA  ALA    10       0.723  -9.777   9.140          0.041
+ATOM     19  CB  ALA    10       1.119 -10.022   8.538          0.094
+ATOM     20  CA  ALA    11       1.534  -7.562  12.060          0.070
+ATOM     21  CB  ALA    11       1.943  -6.957  11.969          0.083
+ATOM     22  CA  ALA    12      -1.507  -8.906  13.939          0.024
+ATOM     23  CB  ALA    12      -1.705  -8.712  14.631          0.004
+ATOM     24  CA  ALA    13      -4.858  -7.550  12.940          0.038
+ATOM     25  CB  ALA    13      -5.349  -8.117  13.206          0.011
+ATOM     26  CA  CYS    14      -5.414  -3.884  12.180          0.002
+ATOM     27  CB  CYS    14      -5.094  -4.141  11.039          0.113
+ATOM     28  CA  ALA    15      -8.869  -2.980  10.694          0.069
+ATOM     29  CB  ALA    15      -9.440  -2.923  11.075          0.076
+ATOM     30  CA  ALA    16      -7.730   0.531  10.135          0.019
+ATOM     31  CB  ALA    16      -7.823   0.599  10.839          0.077
+ATOM     32  CA  ALA    17      -5.524  -0.467   7.183          0.014
+ATOM     33  CB  ALA    17      -5.204  -1.125   6.962          0.100
+ATOM     34  CA  GLY    18      -7.968   1.538   4.956          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  839.40                                       ENERGY    -2.08578E+01
+ATOM      1  CA  GLY     1      -2.571  -5.385  -3.937          0.005
+ATOM      2  CA  ALA     2      -1.240  -2.928  -1.404          0.007
+ATOM      3  CB  ALA     2      -1.788  -2.562  -1.593          0.016
+ATOM      4  CA  ALA     3       1.366  -4.725   0.691          0.023
+ATOM      5  CB  ALA     3       2.020  -4.936   0.888          0.055
+ATOM      6  CA  ALA     4       0.668  -2.459   3.726          0.034
+ATOM      7  CB  ALA     4       0.639  -1.749   3.786          0.071
+ATOM      8  CA  CYS     5      -2.608  -4.329   4.355          0.016
+ATOM      9  CB  CYS     5      -3.121  -3.742   3.453          0.022
+ATOM     10  CA  ALA     6      -0.803  -7.695   4.368          0.021
+ATOM     11  CB  ALA     6      -0.691  -7.481   3.683          0.089
+ATOM     12  CA  ALA     7       2.145  -6.105   6.018          0.029
+ATOM     13  CB  ALA     7       2.661  -5.617   5.749          0.075
+ATOM     14  CA  ALA     8       0.211  -4.995   9.079          0.008
+ATOM     15  CB  ALA     8      -0.131  -4.547   8.611          0.013
+ATOM     16  CA  ALA     9      -2.196  -7.783   8.386          0.004
+ATOM     17  CB  ALA     9      -2.676  -7.608   7.833          0.089
+ATOM     18  CA  ALA    10       0.419 -10.264   9.647          0.035
+ATOM     19  CB  ALA    10       0.831 -10.079   9.121          0.013
+ATOM     20  CA  ALA    11       1.652  -7.902  12.367          0.037
+ATOM     21  CB  ALA    11       1.495  -7.154  12.410          0.046
+ATOM     22  CA  ALA    12      -1.597  -8.551  14.291          0.027
+ATOM     23  CB  ALA    12      -1.393  -8.211  14.938          0.030
+ATOM     24  CA  ALA    13      -4.872  -7.747  12.481          0.017
+ATOM     25  CB  ALA    13      -5.482  -7.663  12.933          0.046
+ATOM     26  CA  CYS    14      -5.359  -4.192  11.168          0.046
+ATOM     27  CB  CYS    14      -4.917  -4.043  10.027          0.013
+ATOM     28  CA  ALA    15      -8.966  -3.311  10.704          0.048
+ATOM     29  CB  ALA    15      -9.490  -3.475  11.252          0.069
+ATOM     30  CA  ALA    16      -8.179   0.470  10.941          0.052
+ATOM     31  CB  ALA    16      -7.953   1.143  10.916          0.128
+ATOM     32  CA  ALA    17      -5.766   0.347   7.962          0.004
+ATOM     33  CB  ALA    17      -5.414  -0.148   7.507          0.013
+ATOM     34  CA  GLY    18      -7.510   0.527   4.627          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  844.39                                       ENERGY    -1.94474E+01
+ATOM      1  CA  GLY     1      -3.152  -4.930  -4.034          0.012
+ATOM      2  CA  ALA     2      -1.337  -2.976  -1.431          0.006
+ATOM      3  CB  ALA     2      -1.460  -2.465  -0.930          0.124
+ATOM      4  CA  ALA     3       1.371  -4.733   0.486          0.004
+ATOM      5  CB  ALA     3       2.039  -5.118   0.493          0.096
+ATOM      6  CA  ALA     4       0.980  -2.295   3.310          0.024
+ATOM      7  CB  ALA     4       1.154  -1.619   3.035          0.061
+ATOM      8  CA  CYS     5      -2.258  -3.935   4.358          0.004
+ATOM      9  CB  CYS     5      -3.179  -3.710   3.615          0.013
+ATOM     10  CA  ALA     6      -0.741  -7.417   4.152          0.017
+ATOM     11  CB  ALA     6      -0.674  -8.070   3.703          0.028
+ATOM     12  CA  ALA     7       2.250  -6.335   6.160          0.018
+ATOM     13  CB  ALA     7       2.474  -6.086   5.493          0.027
+ATOM     14  CA  ALA     8      -0.222  -4.955   8.780          0.050
+ATOM     15  CB  ALA     8      -0.616  -4.660   9.317          0.192
+ATOM     16  CA  ALA     9      -2.311  -8.095   8.821          0.072
+ATOM     17  CB  ALA     9      -2.352  -8.641   8.344          0.004
+ATOM     18  CA  ALA    10       0.599 -10.302   9.900          0.007
+ATOM     19  CB  ALA    10       1.048 -10.597   9.407          0.077
+ATOM     20  CA  ALA    11       1.680  -7.767  12.613          0.019
+ATOM     21  CB  ALA    11       1.727  -7.417  11.957          0.070
+ATOM     22  CA  ALA    12      -1.622  -8.184  14.401          0.014
+ATOM     23  CB  ALA    12      -1.849  -8.159  15.074          0.016
+ATOM     24  CA  ALA    13      -4.552  -7.486  12.053          0.001
+ATOM     25  CB  ALA    13      -5.028  -7.710  12.577          0.006
+ATOM     26  CA  CYS    14      -5.399  -3.850  11.175          0.024
+ATOM     27  CB  CYS    14      -4.893  -4.016  10.094          0.074
+ATOM     28  CA  ALA    15      -8.893  -3.085  10.243          0.036
+ATOM     29  CB  ALA    15      -9.501  -3.457  10.352          0.037
+ATOM     30  CA  ALA    16      -8.340   0.605  10.929          0.020
+ATOM     31  CB  ALA    16      -8.304   0.420  11.660          0.066
+ATOM     32  CA  ALA    17      -5.882   0.819   7.910          0.019
+ATOM     33  CB  ALA    17      -5.636   0.395   8.550          0.020
+ATOM     34  CA  GLY    18      -7.724  -0.216   4.670          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  849.39                                       ENERGY    -1.65061E+01
+ATOM      1  CA  GLY     1      -3.401  -3.674  -4.539          0.012
+ATOM      2  CA  ALA     2      -1.699  -3.505  -1.157          0.035
+ATOM      3  CB  ALA     2      -1.790  -3.356  -0.380          0.073
+ATOM      4  CA  ALA     3       1.248  -5.317   0.435          0.014
+ATOM      5  CB  ALA     3       1.751  -5.107  -0.075          0.053
+ATOM      6  CA  ALA     4       1.520  -2.852   3.349          0.009
+ATOM      7  CB  ALA     4       1.420  -2.163   3.265          0.026
+ATOM      8  CA  CYS     5      -1.960  -3.759   4.483          0.005
+ATOM      9  CB  CYS     5      -3.012  -3.104   4.071          0.045
+ATOM     10  CA  ALA     6      -0.820  -7.319   3.896          0.011
+ATOM     11  CB  ALA     6      -1.118  -7.416   3.253          0.039
+ATOM     12  CA  ALA     7       2.113  -6.297   6.164          0.024
+ATOM     13  CB  ALA     7       2.672  -5.892   6.582          0.022
+ATOM     14  CA  ALA     8      -0.333  -5.533   8.857          0.014
+ATOM     15  CB  ALA     8      -0.881  -5.074   9.194          0.011
+ATOM     16  CA  ALA     9      -1.888  -8.983   8.458          0.002
+ATOM     17  CB  ALA     9      -2.067  -8.598   7.743          0.025
+ATOM     18  CA  ALA    10       1.117 -10.664   9.993          0.034
+ATOM     19  CB  ALA    10       1.772 -10.795   9.690          0.048
+ATOM     20  CA  ALA    11       1.909  -7.728  12.238          0.014
+ATOM     21  CB  ALA    11       2.066  -7.060  12.394          0.024
+ATOM     22  CA  ALA    12      -1.428  -7.787  14.099          0.072
+ATOM     23  CB  ALA    12      -1.605  -7.662  14.830          0.030
+ATOM     24  CA  ALA    13      -4.773  -7.350  12.478          0.037
+ATOM     25  CB  ALA    13      -5.287  -7.842  12.652          0.055
+ATOM     26  CA  CYS    14      -5.688  -3.803  11.275          0.024
+ATOM     27  CB  CYS    14      -5.069  -3.303  10.269          0.028
+ATOM     28  CA  ALA    15      -9.187  -3.324   9.676          0.001
+ATOM     29  CB  ALA    15      -9.794  -3.733   9.937          0.058
+ATOM     30  CA  ALA    16      -8.918   0.440  10.500          0.033
+ATOM     31  CB  ALA    16      -8.751   0.644  11.116          0.142
+ATOM     32  CA  ALA    17      -5.796   0.994   8.464          0.029
+ATOM     33  CB  ALA    17      -5.316   1.349   8.053          0.062
+ATOM     34  CA  GLY    18      -7.613  -0.658   5.530          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  854.39                                       ENERGY    -2.35282E+01
+ATOM      1  CA  GLY     1      -3.178  -3.216  -4.531          0.007
+ATOM      2  CA  ALA     2      -2.197  -3.186  -0.836          0.066
+ATOM      3  CB  ALA     2      -2.757  -3.563  -0.576          0.077
+ATOM      4  CA  ALA     3       0.938  -5.010   0.380          0.034
+ATOM      5  CB  ALA     3       1.543  -5.451   0.315          0.049
+ATOM      6  CA  ALA     4       1.598  -2.528   3.162          0.035
+ATOM      7  CB  ALA     4       1.598  -1.837   2.854          0.024
+ATOM      8  CA  CYS     5      -1.556  -3.604   5.013          0.006
+ATOM      9  CB  CYS     5      -2.546  -2.971   4.596          0.013
+ATOM     10  CA  ALA     6      -0.910  -7.215   4.056          0.043
+ATOM     11  CB  ALA     6      -0.422  -7.807   3.869          0.018
+ATOM     12  CA  ALA     7       2.205  -7.119   6.198          0.032
+ATOM     13  CB  ALA     7       2.917  -7.157   5.964          0.040
+ATOM     14  CA  ALA     8      -0.050  -5.614   8.844          0.003
+ATOM     15  CB  ALA     8      -0.069  -4.862   8.879          0.053
+ATOM     16  CA  ALA     9      -1.966  -8.963   8.731          0.022
+ATOM     17  CB  ALA     9      -2.089  -9.656   8.544          0.105
+ATOM     18  CA  ALA    10       1.291 -10.663   9.662          0.028
+ATOM     19  CB  ALA    10       1.872 -10.508   9.251          0.013
+ATOM     20  CA  ALA    11       2.018  -8.105  12.419          0.036
+ATOM     21  CB  ALA    11       2.009  -7.477  11.944          0.094
+ATOM     22  CA  ALA    12      -1.381  -7.757  14.183          0.004
+ATOM     23  CB  ALA    12      -1.457  -6.954  14.239          0.024
+ATOM     24  CA  ALA    13      -4.587  -7.011  12.226          0.021
+ATOM     25  CB  ALA    13      -5.081  -7.560  12.300          0.034
+ATOM     26  CA  CYS    14      -6.011  -3.492  11.499          0.008
+ATOM     27  CB  CYS    14      -5.178  -3.608  10.530          0.019
+ATOM     28  CA  ALA    15      -9.193  -3.063   9.491          0.020
+ATOM     29  CB  ALA    15      -9.826  -3.384   9.592          0.058
+ATOM     30  CA  ALA    16      -9.414   0.689  10.166          0.011
+ATOM     31  CB  ALA    16      -9.620   0.607  10.799          0.078
+ATOM     32  CA  ALA    17      -6.180   1.210   8.190          0.041
+ATOM     33  CB  ALA    17      -5.563   1.150   8.571          0.075
+ATOM     34  CA  GLY    18      -7.433  -1.088   5.351          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  859.39                                       ENERGY    -2.59906E+01
+ATOM      1  CA  GLY     1      -2.884  -3.551  -4.148          0.004
+ATOM      2  CA  ALA     2      -2.247  -2.671  -0.577          0.091
+ATOM      3  CB  ALA     2      -2.828  -2.592  -0.130          0.037
+ATOM      4  CA  ALA     3       0.791  -4.877  -0.056          0.002
+ATOM      5  CB  ALA     3       1.111  -4.850  -0.729          0.020
+ATOM      6  CA  ALA     4       1.640  -2.944   3.131          0.055
+ATOM      7  CB  ALA     4       1.784  -2.192   3.167          0.139
+ATOM      8  CA  CYS     5      -1.434  -4.029   5.045          0.018
+ATOM      9  CB  CYS     5      -2.419  -3.386   4.707          0.033
+ATOM     10  CA  ALA     6      -0.710  -7.662   4.175          0.014
+ATOM     11  CB  ALA     6      -0.624  -7.491   3.454          0.087
+ATOM     12  CA  ALA     7       2.484  -7.350   6.081          0.049
+ATOM     13  CB  ALA     7       2.969  -6.823   5.865          0.044
+ATOM     14  CA  ALA     8       0.581  -5.576   8.897          0.033
+ATOM     15  CB  ALA     8      -0.078  -5.377   9.182          0.006
+ATOM     16  CA  ALA     9      -1.880  -8.398   8.927          0.042
+ATOM     17  CB  ALA     9      -2.376  -8.149   8.427          0.128
+ATOM     18  CA  ALA    10       0.963 -10.717  10.077          0.009
+ATOM     19  CB  ALA    10       1.055 -11.231   9.516          0.091
+ATOM     20  CA  ALA    11       2.343  -8.181  12.483          0.028
+ATOM     21  CB  ALA    11       3.004  -8.038  12.279          0.011
+ATOM     22  CA  ALA    12      -1.164  -7.858  13.923          0.042
+ATOM     23  CB  ALA    12      -1.159  -7.218  14.241          0.069
+ATOM     24  CA  ALA    13      -4.531  -6.812  12.399          0.026
+ATOM     25  CB  ALA    13      -5.109  -7.059  12.721          0.023
+ATOM     26  CA  CYS    14      -6.084  -3.615  11.198          0.027
+ATOM     27  CB  CYS    14      -5.217  -3.289  10.300          0.036
+ATOM     28  CA  ALA    15      -9.537  -3.252   9.570          0.081
+ATOM     29  CB  ALA    15     -10.004  -3.736   9.691          0.010
+ATOM     30  CA  ALA    16      -9.690   0.526  10.102          0.005
+ATOM     31  CB  ALA    16      -9.458   0.781  10.724          0.083
+ATOM     32  CA  ALA    17      -6.530   1.145   8.004          0.028
+ATOM     33  CB  ALA    17      -5.998   0.901   8.501          0.065
+ATOM     34  CA  GLY    18      -7.743  -0.672   4.881          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  864.39                                       ENERGY    -2.34922E+01
+ATOM      1  CA  GLY     1      -3.037  -3.519  -3.843          0.005
+ATOM      2  CA  ALA     2      -2.172  -2.196  -0.445          0.004
+ATOM      3  CB  ALA     2      -2.498  -1.717   0.050          0.046
+ATOM      4  CA  ALA     3       0.512  -4.914   0.253          0.003
+ATOM      5  CB  ALA     3       0.859  -5.254  -0.288          0.010
+ATOM      6  CA  ALA     4       1.537  -2.815   3.242          0.038
+ATOM      7  CB  ALA     4       1.904  -2.448   3.842          0.136
+ATOM      8  CA  CYS     5      -1.517  -4.090   5.032          0.009
+ATOM      9  CB  CYS     5      -2.547  -3.583   4.620          0.039
+ATOM     10  CA  ALA     6      -0.515  -7.670   4.181          0.020
+ATOM     11  CB  ALA     6      -0.593  -8.104   3.634          0.104
+ATOM     12  CA  ALA     7       2.748  -7.421   6.092          0.006
+ATOM     13  CB  ALA     7       3.423  -7.149   5.863          0.040
+ATOM     14  CA  ALA     8       0.934  -5.572   8.898          0.014
+ATOM     15  CB  ALA     8       1.272  -4.915   8.820          0.121
+ATOM     16  CA  ALA     9      -2.065  -7.821   8.597          0.048
+ATOM     17  CB  ALA     9      -2.272  -8.068   7.927          0.138
+ATOM     18  CA  ALA    10      -0.055 -10.877   9.753          0.032
+ATOM     19  CB  ALA    10       0.460 -11.348   9.644          0.009
+ATOM     20  CA  ALA    11       1.867  -8.747  12.262          0.030
+ATOM     21  CB  ALA    11       1.951  -8.029  11.968          0.080
+ATOM     22  CA  ALA    12      -0.895  -6.913  14.260          0.029
+ATOM     23  CB  ALA    12      -0.985  -6.560  14.852          0.031
+ATOM     24  CA  ALA    13      -4.236  -6.856  12.451          0.037
+ATOM     25  CB  ALA    13      -4.663  -7.057  12.923          0.002
+ATOM     26  CA  CYS    14      -5.562  -3.553  11.205          0.044
+ATOM     27  CB  CYS    14      -4.841  -3.687  10.164          0.049
+ATOM     28  CA  ALA    15      -9.105  -3.682   9.705          0.008
+ATOM     29  CB  ALA    15      -9.733  -3.905   9.831          0.041
+ATOM     30  CA  ALA    16      -9.663   0.030  10.111          0.023
+ATOM     31  CB  ALA    16      -9.769   0.681  10.445          0.038
+ATOM     32  CA  ALA    17      -6.752   1.034   7.862          0.074
+ATOM     33  CB  ALA    17      -6.224   0.552   7.659          0.073
+ATOM     34  CA  GLY    18      -8.745   0.229   4.640          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  869.36                                       ENERGY    -2.79303E+01
+ATOM      1  CA  GLY     1      -3.110  -2.928  -3.515          0.009
+ATOM      2  CA  ALA     2      -1.667  -2.006  -0.083          0.045
+ATOM      3  CB  ALA     2      -1.829  -1.997   0.587          0.152
+ATOM      4  CA  ALA     3       0.544  -5.126   0.405          0.011
+ATOM      5  CB  ALA     3       0.948  -4.899  -0.140          0.014
+ATOM      6  CA  ALA     4       1.620  -2.848   3.224          0.050
+ATOM      7  CB  ALA     4       1.826  -2.486   2.621          0.044
+ATOM      8  CA  CYS     5      -1.527  -3.892   5.168          0.031
+ATOM      9  CB  CYS     5      -2.730  -3.504   5.099          0.023
+ATOM     10  CA  ALA     6      -0.946  -7.435   3.964          0.010
+ATOM     11  CB  ALA     6      -0.708  -8.019   3.500          0.121
+ATOM     12  CA  ALA     7       2.334  -7.598   5.906          0.025
+ATOM     13  CB  ALA     7       2.971  -7.552   5.588          0.147
+ATOM     14  CA  ALA     8       0.862  -5.574   8.759          0.047
+ATOM     15  CB  ALA     8       0.988  -4.860   8.542          0.082
+ATOM     16  CA  ALA     9      -2.208  -7.736   8.690          0.036
+ATOM     17  CB  ALA     9      -2.608  -7.700   8.038          0.123
+ATOM     18  CA  ALA    10      -0.427 -10.695  10.378          0.005
+ATOM     19  CB  ALA    10      -0.305 -10.922   9.638          0.037
+ATOM     20  CA  ALA    11       2.014  -8.391  12.267          0.011
+ATOM     21  CB  ALA    11       2.185  -7.950  11.647          0.018
+ATOM     22  CA  ALA    12      -0.916  -7.191  14.360          0.035
+ATOM     23  CB  ALA    12      -0.737  -6.563  14.809          0.030
+ATOM     24  CA  ALA    13      -4.352  -6.745  12.761          0.018
+ATOM     25  CB  ALA    13      -4.779  -7.147  13.172          0.040
+ATOM     26  CA  CYS    14      -5.235  -3.379  11.296          0.060
+ATOM     27  CB  CYS    14      -4.431  -3.456  10.309          0.011
+ATOM     28  CA  ALA    15      -8.638  -3.960   9.787          0.013
+ATOM     29  CB  ALA    15      -9.295  -4.304   9.796          0.152
+ATOM     30  CA  ALA    16      -9.328  -0.195   9.832          0.018
+ATOM     31  CB  ALA    16      -9.113  -0.372  10.514          0.031
+ATOM     32  CA  ALA    17      -6.791   0.321   6.962          0.008
+ATOM     33  CB  ALA    17      -6.389  -0.195   7.246          0.085
+ATOM     34  CA  GLY    18      -9.409   0.895   4.288          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  874.36                                       ENERGY    -2.64047E+01
+ATOM      1  CA  GLY     1      -3.195  -2.499  -3.594          0.128
+ATOM      2  CA  ALA     2      -1.656  -1.926  -0.202          0.030
+ATOM      3  CB  ALA     2      -1.373  -1.759   0.493          0.048
+ATOM      4  CA  ALA     3       0.673  -4.893   0.265          0.073
+ATOM      5  CB  ALA     3       0.946  -5.505  -0.118          0.074
+ATOM      6  CA  ALA     4       1.929  -3.361   3.483          0.026
+ATOM      7  CB  ALA     4       1.747  -2.649   3.642          0.077
+ATOM      8  CA  CYS     5      -1.479  -3.575   5.036          0.007
+ATOM      9  CB  CYS     5      -2.504  -3.100   4.498          0.043
+ATOM     10  CA  ALA     6      -1.655  -7.261   4.101          0.037
+ATOM     11  CB  ALA     6      -1.898  -7.011   3.420          0.033
+ATOM     12  CA  ALA     7       1.711  -7.727   5.846          0.017
+ATOM     13  CB  ALA     7       2.474  -7.926   5.786          0.038
+ATOM     14  CA  ALA     8       0.566  -5.445   8.652          0.018
+ATOM     15  CB  ALA     8       0.506  -5.105   9.277          0.006
+ATOM     16  CA  ALA     9      -2.561  -7.503   8.817          0.026
+ATOM     17  CB  ALA     9      -2.652  -7.720   8.151          0.218
+ATOM     18  CA  ALA    10      -0.513 -10.441  10.108          0.014
+ATOM     19  CB  ALA    10      -0.008 -11.050   9.908          0.041
+ATOM     20  CA  ALA    11       1.991  -8.161  11.936          0.023
+ATOM     21  CB  ALA    11       2.515  -7.599  11.885          0.012
+ATOM     22  CA  ALA    12      -0.604  -7.449  14.653          0.025
+ATOM     23  CB  ALA    12      -0.628  -6.702  14.604          0.007
+ATOM     24  CA  ALA    13      -4.162  -6.808  13.366          0.053
+ATOM     25  CB  ALA    13      -4.882  -7.058  13.507          0.092
+ATOM     26  CA  CYS    14      -5.070  -3.509  11.714          0.006
+ATOM     27  CB  CYS    14      -4.419  -3.280  10.687          0.011
+ATOM     28  CA  ALA    15      -8.013  -4.311   9.453          0.019
+ATOM     29  CB  ALA    15      -8.577  -4.766   9.428          0.158
+ATOM     30  CA  ALA    16      -8.915  -0.615   9.521          0.034
+ATOM     31  CB  ALA    16      -8.690  -0.359  10.165          0.026
+ATOM     32  CA  ALA    17      -6.760   0.048   6.405          0.015
+ATOM     33  CB  ALA    17      -6.246  -0.510   6.451          0.022
+ATOM     34  CA  GLY    18      -9.949   0.680   4.550          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  879.36                                       ENERGY    -2.00270E+01
+ATOM      1  CA  GLY     1      -3.514  -1.964  -3.524          0.008
+ATOM      2  CA  ALA     2      -0.714  -1.859  -0.908          0.004
+ATOM      3  CB  ALA     2      -0.782  -1.110  -1.002          0.082
+ATOM      4  CA  ALA     3       0.506  -5.255   0.549          0.016
+ATOM      5  CB  ALA     3       1.089  -5.696   0.326          0.033
+ATOM      6  CA  ALA     4       1.796  -3.379   3.622          0.020
+ATOM      7  CB  ALA     4       2.125  -2.881   3.078          0.156
+ATOM      8  CA  CYS     5      -1.674  -3.341   5.049          0.016
+ATOM      9  CB  CYS     5      -2.263  -2.370   4.685          0.022
+ATOM     10  CA  ALA     6      -2.174  -6.973   4.209          0.015
+ATOM     11  CB  ALA     6      -1.779  -7.630   4.045          0.161
+ATOM     12  CA  ALA     7       1.242  -7.440   5.779          0.021
+ATOM     13  CB  ALA     7       1.700  -7.080   5.346          0.067
+ATOM     14  CA  ALA     8       0.224  -5.450   8.829          0.019
+ATOM     15  CB  ALA     8      -0.031  -4.779   9.145          0.135
+ATOM     16  CA  ALA     9      -2.746  -7.827   9.193          0.015
+ATOM     17  CB  ALA     9      -3.291  -7.432   8.763          0.022
+ATOM     18  CA  ALA    10      -0.413 -10.593  10.452          0.023
+ATOM     19  CB  ALA    10      -0.173 -11.060   9.946          0.175
+ATOM     20  CA  ALA    11       2.006  -8.094  11.937          0.018
+ATOM     21  CB  ALA    11       2.251  -8.050  11.266          0.030
+ATOM     22  CA  ALA    12      -0.603  -7.142  14.557          0.006
+ATOM     23  CB  ALA    12      -0.300  -6.590  14.984          0.027
+ATOM     24  CA  ALA    13      -4.212  -7.315  13.340          0.017
+ATOM     25  CB  ALA    13      -4.171  -7.641  13.967          0.016
+ATOM     26  CA  CYS    14      -4.772  -3.832  11.964          0.026
+ATOM     27  CB  CYS    14      -4.412  -3.501  10.878          0.002
+ATOM     28  CA  ALA    15      -7.589  -4.474   9.470          0.030
+ATOM     29  CB  ALA    15      -8.148  -4.955   9.676          0.086
+ATOM     30  CA  ALA    16      -8.545  -0.726   9.643          0.017
+ATOM     31  CB  ALA    16      -8.487  -0.331  10.275          0.023
+ATOM     32  CA  ALA    17      -7.177  -0.040   6.181          0.010
+ATOM     33  CB  ALA    17      -6.672  -0.523   6.378          0.013
+ATOM     34  CA  GLY    18      -9.723   0.302   3.306          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  884.31                                       ENERGY    -2.07215E+01
+ATOM      1  CA  GLY     1      -3.261  -1.311  -3.903          0.006
+ATOM      2  CA  ALA     2      -0.357  -1.978  -1.529          0.010
+ATOM      3  CB  ALA     2       0.004  -1.886  -0.788          0.050
+ATOM      4  CA  ALA     3       0.292  -5.221   0.411          0.016
+ATOM      5  CB  ALA     3       0.632  -5.924   0.329          0.041
+ATOM      6  CA  ALA     4       1.732  -3.072   3.167          0.002
+ATOM      7  CB  ALA     4       2.113  -2.397   3.283          0.157
+ATOM      8  CA  CYS     5      -1.724  -2.926   4.783          0.009
+ATOM      9  CB  CYS     5      -2.458  -2.060   4.226          0.023
+ATOM     10  CA  ALA     6      -2.266  -6.694   4.617          0.061
+ATOM     11  CB  ALA     6      -2.649  -6.525   4.079          0.102
+ATOM     12  CA  ALA     7       1.138  -7.332   6.116          0.046
+ATOM     13  CB  ALA     7       1.791  -7.064   5.849          0.268
+ATOM     14  CA  ALA     8       0.076  -5.533   9.206          0.007
+ATOM     15  CB  ALA     8       0.541  -5.019   8.994          0.053
+ATOM     16  CA  ALA     9      -2.999  -7.833   9.446          0.003
+ATOM     17  CB  ALA     9      -2.935  -7.977   8.722          0.032
+ATOM     18  CA  ALA    10      -0.837 -10.704  10.487          0.006
+ATOM     19  CB  ALA    10      -0.532 -10.747   9.759          0.016
+ATOM     20  CA  ALA    11       2.052  -8.587  11.795          0.017
+ATOM     21  CB  ALA    11       2.315  -7.874  11.558          0.066
+ATOM     22  CA  ALA    12      -0.075  -7.103  14.480          0.029
+ATOM     23  CB  ALA    12       0.036  -6.555  14.888          0.018
+ATOM     24  CA  ALA    13      -3.713  -7.194  13.468          0.014
+ATOM     25  CB  ALA    13      -4.168  -7.475  13.903          0.104
+ATOM     26  CA  CYS    14      -4.958  -3.890  12.166          0.012
+ATOM     27  CB  CYS    14      -4.211  -3.847  11.186          0.061
+ATOM     28  CA  ALA    15      -8.006  -4.498   9.891          0.002
+ATOM     29  CB  ALA    15      -8.693  -4.866   9.890          0.106
+ATOM     30  CA  ALA    16      -8.726  -0.814   9.610          0.022
+ATOM     31  CB  ALA    16      -8.439  -0.302  10.149          0.015
+ATOM     32  CA  ALA    17      -7.189  -0.532   6.187          0.015
+ATOM     33  CB  ALA    17      -6.781  -1.196   6.238          0.042
+ATOM     34  CA  GLY    18      -9.043  -0.044   2.891          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  889.31                                       ENERGY    -2.11117E+01
+ATOM      1  CA  GLY     1      -2.454  -1.279  -4.482          0.007
+ATOM      2  CA  ALA     2      -0.265  -1.912  -1.458          0.047
+ATOM      3  CB  ALA     2      -0.387  -1.224  -1.316          0.060
+ATOM      4  CA  ALA     3      -0.300  -5.078   0.618          0.031
+ATOM      5  CB  ALA     3      -0.024  -5.721   0.334          0.038
+ATOM      6  CA  ALA     4       1.904  -3.285   3.216          0.013
+ATOM      7  CB  ALA     4       2.542  -2.792   3.219          0.043
+ATOM      8  CA  CYS     5      -1.388  -2.606   5.026          0.025
+ATOM      9  CB  CYS     5      -2.381  -2.435   4.417          0.013
+ATOM     10  CA  ALA     6      -2.469  -6.236   4.778          0.017
+ATOM     11  CB  ALA     6      -2.378  -6.645   4.179          0.147
+ATOM     12  CA  ALA     7       1.113  -7.154   5.359          0.012
+ATOM     13  CB  ALA     7       1.780  -6.898   5.354          0.079
+ATOM     14  CA  ALA     8       0.587  -5.505   8.782          0.024
+ATOM     15  CB  ALA     8       0.244  -4.925   9.204          0.088
+ATOM     16  CA  ALA     9      -2.607  -7.613   9.108          0.014
+ATOM     17  CB  ALA     9      -3.161  -7.397   8.679          0.062
+ATOM     18  CA  ALA    10      -0.633 -10.653  10.146          0.026
+ATOM     19  CB  ALA    10      -0.551 -11.432  10.068          0.006
+ATOM     20  CA  ALA    11       2.041  -8.389  11.729          0.004
+ATOM     21  CB  ALA    11       2.583  -7.948  11.409          0.056
+ATOM     22  CA  ALA    12      -0.200  -7.658  14.554          0.002
+ATOM     23  CB  ALA    12       0.017  -7.045  14.846          0.054
+ATOM     24  CA  ALA    13      -3.930  -6.706  14.183          0.003
+ATOM     25  CB  ALA    13      -4.203  -6.880  14.839          0.118
+ATOM     26  CA  CYS    14      -5.180  -3.945  11.809          0.014
+ATOM     27  CB  CYS    14      -4.588  -3.865  10.649          0.010
+ATOM     28  CA  ALA    15      -8.827  -4.330  10.775          0.009
+ATOM     29  CB  ALA    15      -9.071  -4.751  11.298          0.078
+ATOM     30  CA  ALA    16      -8.906  -0.733   9.388          0.013
+ATOM     31  CB  ALA    16      -8.677  -0.051   9.426          0.025
+ATOM     32  CA  ALA    17      -6.714  -1.456   6.327          0.055
+ATOM     33  CB  ALA    17      -6.518  -2.179   6.388          0.155
+ATOM     34  CA  GLY    18      -8.278  -0.150   3.150          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  894.31                                       ENERGY    -1.96138E+01
+ATOM      1  CA  GLY     1      -1.358  -2.035  -4.951          0.003
+ATOM      2  CA  ALA     2      -0.699  -0.967  -1.399          0.015
+ATOM      3  CB  ALA     2      -0.920  -0.910  -0.664          0.083
+ATOM      4  CA  ALA     3      -0.543  -4.510   0.064          0.014
+ATOM      5  CB  ALA     3      -0.135  -5.138   0.076          0.087
+ATOM      6  CA  ALA     4       1.528  -3.151   2.838          0.016
+ATOM      7  CB  ALA     4       2.070  -2.737   2.681          0.110
+ATOM      8  CA  CYS     5      -1.455  -3.076   5.212          0.024
+ATOM      9  CB  CYS     5      -1.861  -2.048   4.707          0.041
+ATOM     10  CA  ALA     6      -2.087  -6.757   4.245          0.011
+ATOM     11  CB  ALA     6      -2.412  -7.114   3.701          0.004
+ATOM     12  CA  ALA     7       1.229  -7.831   5.660          0.030
+ATOM     13  CB  ALA     7       1.966  -7.597   5.316          0.050
+ATOM     14  CA  ALA     8       0.886  -5.506   8.637          0.007
+ATOM     15  CB  ALA     8       1.008  -4.956   9.003          0.064
+ATOM     16  CA  ALA     9      -2.471  -7.013   9.163          0.074
+ATOM     17  CB  ALA     9      -2.763  -7.131   8.465          0.015
+ATOM     18  CA  ALA    10      -0.783 -10.318  10.028          0.008
+ATOM     19  CB  ALA    10      -0.401 -10.776   9.486          0.079
+ATOM     20  CA  ALA    11       2.041  -8.777  12.062          0.014
+ATOM     21  CB  ALA    11       2.216  -8.474  11.447          0.002
+ATOM     22  CA  ALA    12      -0.322  -7.374  14.731          0.002
+ATOM     23  CB  ALA    12       0.051  -7.049  15.310          0.044
+ATOM     24  CA  ALA    13      -3.900  -6.365  13.991          0.014
+ATOM     25  CB  ALA    13      -3.809  -6.702  14.619          0.026
+ATOM     26  CA  CYS    14      -5.609  -3.944  11.645          0.045
+ATOM     27  CB  CYS    14      -4.821  -3.864  10.731          0.036
+ATOM     28  CA  ALA    15      -9.432  -3.676  11.462          0.042
+ATOM     29  CB  ALA    15     -10.021  -3.555  11.882          0.063
+ATOM     30  CA  ALA    16      -9.186  -0.798   9.059          0.024
+ATOM     31  CB  ALA    16      -8.687  -0.516   9.488          0.046
+ATOM     32  CA  ALA    17      -6.954  -2.655   6.722          0.053
+ATOM     33  CB  ALA    17      -6.830  -3.442   6.689          0.010
+ATOM     34  CA  GLY    18      -6.769  -0.528   3.606          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  899.31                                       ENERGY    -2.25336E+01
+ATOM      1  CA  GLY     1      -0.417  -1.550  -4.610          0.007
+ATOM      2  CA  ALA     2      -1.248  -1.050  -0.878          0.017
+ATOM      3  CB  ALA     2      -1.678  -0.483  -1.186          0.026
+ATOM      4  CA  ALA     3      -0.542  -4.660  -0.063          0.009
+ATOM      5  CB  ALA     3      -0.497  -4.795  -0.761          0.050
+ATOM      6  CA  ALA     4       1.874  -3.501   2.589          0.064
+ATOM      7  CB  ALA     4       2.135  -2.787   2.555          0.080
+ATOM      8  CA  CYS     5      -0.950  -3.196   5.159          0.063
+ATOM      9  CB  CYS     5      -1.612  -2.166   4.893          0.014
+ATOM     10  CA  ALA     6      -1.892  -6.848   4.174          0.002
+ATOM     11  CB  ALA     6      -2.262  -6.925   3.436          0.026
+ATOM     12  CA  ALA     7       1.548  -7.971   5.495          0.018
+ATOM     13  CB  ALA     7       2.167  -7.884   5.171          0.056
+ATOM     14  CA  ALA     8       1.359  -5.792   8.670          0.015
+ATOM     15  CB  ALA     8       1.435  -4.996   8.782          0.143
+ATOM     16  CA  ALA     9      -2.241  -6.800   8.888          0.036
+ATOM     17  CB  ALA     9      -2.730  -6.742   8.329          0.106
+ATOM     18  CA  ALA    10      -1.083 -10.191  10.117          0.010
+ATOM     19  CB  ALA    10      -0.995 -10.716   9.701          0.082
+ATOM     20  CA  ALA    11       1.951  -8.652  11.795          0.039
+ATOM     21  CB  ALA    11       2.472  -8.062  11.595          0.034
+ATOM     22  CA  ALA    12      -0.280  -6.962  14.355          0.000
+ATOM     23  CB  ALA    12       0.149  -6.665  14.893          0.091
+ATOM     24  CA  ALA    13      -4.019  -6.738  13.912          0.042
+ATOM     25  CB  ALA    13      -4.409  -7.157  14.368          0.084
+ATOM     26  CA  CYS    14      -6.114  -3.984  12.266          0.012
+ATOM     27  CB  CYS    14      -5.531  -3.582  11.243          0.013
+ATOM     28  CA  ALA    15      -9.755  -3.288  11.895          0.059
+ATOM     29  CB  ALA    15     -10.234  -3.056  12.435          0.022
+ATOM     30  CA  ALA    16      -8.817  -0.824   9.180          0.011
+ATOM     31  CB  ALA    16      -8.432  -0.157   9.195          0.009
+ATOM     32  CA  ALA    17      -7.079  -3.222   6.815          0.065
+ATOM     33  CB  ALA    17      -7.352  -3.942   6.721          0.009
+ATOM     34  CA  GLY    18      -6.277  -1.487   3.588          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  904.31                                       ENERGY    -2.64600E+01
+ATOM      1  CA  GLY     1       0.496  -0.748  -3.949          0.057
+ATOM      2  CA  ALA     2      -1.593  -1.062  -0.846          0.019
+ATOM      3  CB  ALA     2      -2.211  -1.151  -0.536          0.060
+ATOM      4  CA  ALA     3      -0.770  -4.660   0.010          0.027
+ATOM      5  CB  ALA     3      -0.290  -5.140  -0.332          0.053
+ATOM      6  CA  ALA     4       2.244  -3.482   2.010          0.031
+ATOM      7  CB  ALA     4       2.841  -3.290   1.751          0.127
+ATOM      8  CA  CYS     5      -0.312  -2.995   4.890          0.039
+ATOM      9  CB  CYS     5      -1.530  -2.442   4.892          0.042
+ATOM     10  CA  ALA     6      -1.704  -6.497   4.332          0.007
+ATOM     11  CB  ALA     6      -1.849  -6.769   3.671          0.024
+ATOM     12  CA  ALA     7       1.547  -8.192   5.341          0.022
+ATOM     13  CB  ALA     7       2.122  -8.282   4.850          0.001
+ATOM     14  CA  ALA     8       1.630  -5.687   8.256          0.019
+ATOM     15  CB  ALA     8       1.397  -4.998   8.421          0.024
+ATOM     16  CA  ALA     9      -2.072  -6.170   9.092          0.112
+ATOM     17  CB  ALA     9      -2.347  -5.994   8.378          0.081
+ATOM     18  CA  ALA    10      -1.458  -9.822  10.087          0.001
+ATOM     19  CB  ALA    10      -1.349 -10.348   9.617          0.010
+ATOM     20  CA  ALA    11       1.678  -8.735  11.956          0.017
+ATOM     21  CB  ALA    11       2.156  -8.252  11.709          0.049
+ATOM     22  CA  ALA    12      -0.473  -6.486  14.071          0.048
+ATOM     23  CB  ALA    12      -0.774  -5.899  13.790          0.031
+ATOM     24  CA  ALA    13      -4.164  -7.304  13.954          0.011
+ATOM     25  CB  ALA    13      -4.481  -7.590  14.583          0.040
+ATOM     26  CA  CYS    14      -5.955  -4.140  12.765          0.016
+ATOM     27  CB  CYS    14      -5.658  -3.928  11.596          0.022
+ATOM     28  CA  ALA    15      -9.547  -3.123  12.044          0.051
+ATOM     29  CB  ALA    15     -10.046  -3.002  12.604          0.032
+ATOM     30  CA  ALA    16      -8.503  -0.630   9.311          0.011
+ATOM     31  CB  ALA    16      -7.989  -0.114   9.457          0.159
+ATOM     32  CA  ALA    17      -7.627  -3.208   6.681          0.040
+ATOM     33  CB  ALA    17      -7.932  -3.824   7.045          0.050
+ATOM     34  CA  GLY    18      -6.956  -2.827   3.023          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  909.31                                       ENERGY    -2.40370E+01
+ATOM      1  CA  GLY     1       0.774  -0.413  -2.386          0.143
+ATOM      2  CA  ALA     2      -1.916  -1.606   0.054          0.007
+ATOM      3  CB  ALA     2      -2.393  -1.193  -0.290          0.132
+ATOM      4  CA  ALA     3      -0.414  -5.103  -0.225          0.042
+ATOM      5  CB  ALA     3      -0.578  -5.495  -0.863          0.057
+ATOM      6  CA  ALA     4       2.399  -3.859   1.977          0.005
+ATOM      7  CB  ALA     4       2.366  -3.127   1.613          0.124
+ATOM      8  CA  CYS     5       0.007  -2.891   4.712          0.031
+ATOM      9  CB  CYS     5      -1.116  -2.605   4.220          0.029
+ATOM     10  CA  ALA     6      -1.533  -6.294   4.143          0.022
+ATOM     11  CB  ALA     6      -2.000  -6.336   3.544          0.036
+ATOM     12  CA  ALA     7       1.532  -7.915   5.745          0.006
+ATOM     13  CB  ALA     7       2.098  -8.234   5.315          0.015
+ATOM     14  CA  ALA     8       1.885  -5.428   8.486          0.021
+ATOM     15  CB  ALA     8       2.397  -5.147   8.062          0.067
+ATOM     16  CA  ALA     9      -1.928  -5.622   8.809          0.053
+ATOM     17  CB  ALA     9      -2.363  -5.580   8.188          0.052
+ATOM     18  CA  ALA    10      -1.702  -9.363   9.465          0.082
+ATOM     19  CB  ALA    10      -1.386 -10.064   9.331          0.137
+ATOM     20  CA  ALA    11       1.106  -8.701  12.022          0.019
+ATOM     21  CB  ALA    11       1.695  -8.887  11.654          0.019
+ATOM     22  CA  ALA    12      -0.895  -5.901  13.597          0.012
+ATOM     23  CB  ALA    12      -0.828  -5.261  13.187          0.037
+ATOM     24  CA  ALA    13      -4.232  -7.516  14.605          0.023
+ATOM     25  CB  ALA    13      -4.488  -7.814  15.208          0.036
+ATOM     26  CA  CYS    14      -5.986  -4.776  12.567          0.009
+ATOM     27  CB  CYS    14      -5.247  -4.108  11.846          0.011
+ATOM     28  CA  ALA    15      -9.356  -3.148  12.041          0.038
+ATOM     29  CB  ALA    15      -9.802  -3.070  12.531          0.043
+ATOM     30  CA  ALA    16      -8.161  -0.609   9.455          0.010
+ATOM     31  CB  ALA    16      -7.453  -0.381   9.505          0.063
+ATOM     32  CA  ALA    17      -8.138  -3.186   6.669          0.022
+ATOM     33  CB  ALA    17      -8.785  -3.627   6.783          0.103
+ATOM     34  CA  GLY    18      -7.691  -3.273   2.934          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  914.29                                       ENERGY    -1.92738E+01
+ATOM      1  CA  GLY     1       1.117  -0.130  -0.243          0.067
+ATOM      2  CA  ALA     2      -2.236  -1.912  -0.047          0.047
+ATOM      3  CB  ALA     2      -2.988  -2.175  -0.194          0.073
+ATOM      4  CA  ALA     3      -0.502  -5.194  -0.454          0.016
+ATOM      5  CB  ALA     3      -0.192  -5.606  -0.975          0.070
+ATOM      6  CA  ALA     4       2.430  -4.305   1.886          0.061
+ATOM      7  CB  ALA     4       2.806  -3.943   1.505          0.040
+ATOM      8  CA  CYS     5       0.143  -2.855   4.458          0.049
+ATOM      9  CB  CYS     5      -0.855  -2.398   4.029          0.028
+ATOM     10  CA  ALA     6      -1.605  -6.187   4.528          0.005
+ATOM     11  CB  ALA     6      -1.739  -6.837   4.179          0.013
+ATOM     12  CA  ALA     7       1.595  -7.969   5.441          0.015
+ATOM     13  CB  ALA     7       2.127  -7.645   4.993          0.088
+ATOM     14  CA  ALA     8       2.019  -5.585   8.499          0.007
+ATOM     15  CB  ALA     8       2.272  -4.942   8.459          0.121
+ATOM     16  CA  ALA     9      -1.771  -5.211   8.962          0.057
+ATOM     17  CB  ALA     9      -2.242  -4.904   8.464          0.024
+ATOM     18  CA  ALA    10      -1.958  -8.972   9.006          0.003
+ATOM     19  CB  ALA    10      -2.131  -8.896   8.299          0.141
+ATOM     20  CA  ALA    11       0.796  -9.134  11.695          0.013
+ATOM     21  CB  ALA    11       1.491  -8.780  11.918          0.039
+ATOM     22  CA  ALA    12      -0.513  -6.034  13.467          0.016
+ATOM     23  CB  ALA    12      -0.726  -5.509  12.942          0.032
+ATOM     24  CA  ALA    13      -3.997  -7.306  14.644          0.011
+ATOM     25  CB  ALA    13      -4.068  -7.422  15.362          0.014
+ATOM     26  CA  CYS    14      -5.806  -4.631  12.634          0.021
+ATOM     27  CB  CYS    14      -5.204  -3.775  11.938          0.015
+ATOM     28  CA  ALA    15      -9.422  -3.504  12.024          0.073
+ATOM     29  CB  ALA    15     -10.055  -3.226  12.328          0.009
+ATOM     30  CA  ALA    16      -8.117  -1.164   9.414          0.006
+ATOM     31  CB  ALA    16      -7.468  -1.005   9.087          0.125
+ATOM     32  CA  ALA    17      -8.589  -3.637   6.538          0.026
+ATOM     33  CB  ALA    17      -9.256  -3.650   6.866          0.011
+ATOM     34  CA  GLY    18      -7.788  -2.160   3.111          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  919.19                                       ENERGY    -2.48292E+01
+ATOM      1  CA  GLY     1       0.928  -0.232  -0.181          0.023
+ATOM      2  CA  ALA     2      -2.164  -2.438   0.213          0.006
+ATOM      3  CB  ALA     2      -2.879  -2.374  -0.043          0.023
+ATOM      4  CA  ALA     3      -0.090  -5.649  -0.123          0.083
+ATOM      5  CB  ALA     3      -0.196  -5.651  -0.850          0.043
+ATOM      6  CA  ALA     4       2.580  -4.279   2.317          0.007
+ATOM      7  CB  ALA     4       3.009  -3.883   1.732          0.128
+ATOM      8  CA  CYS     5      -0.116  -3.058   4.697          0.028
+ATOM      9  CB  CYS     5      -0.624  -2.010   4.258          0.047
+ATOM     10  CA  ALA     6      -1.887  -6.423   4.366          0.191
+ATOM     11  CB  ALA     6      -2.454  -6.545   3.859          0.007
+ATOM     12  CA  ALA     7       1.237  -8.016   5.852          0.036
+ATOM     13  CB  ALA     7       1.589  -8.429   5.253          0.117
+ATOM     14  CA  ALA     8       2.017  -4.975   7.942          0.028
+ATOM     15  CB  ALA     8       2.317  -4.344   8.071          0.065
+ATOM     16  CA  ALA     9      -1.627  -4.857   9.028          0.014
+ATOM     17  CB  ALA     9      -1.766  -4.505   8.424          0.038
+ATOM     18  CA  ALA    10      -2.041  -8.616   8.861          0.021
+ATOM     19  CB  ALA    10      -2.155  -8.954   8.163          0.033
+ATOM     20  CA  ALA    11       0.786  -9.064  11.368          0.005
+ATOM     21  CB  ALA    11       1.195  -9.476  10.998          0.119
+ATOM     22  CA  ALA    12      -0.385  -6.217  13.554          0.035
+ATOM     23  CB  ALA    12      -0.333  -5.571  13.358          0.056
+ATOM     24  CA  ALA    13      -3.844  -7.049  14.889          0.022
+ATOM     25  CB  ALA    13      -3.898  -7.392  15.586          0.028
+ATOM     26  CA  CYS    14      -5.583  -4.438  12.691          0.014
+ATOM     27  CB  CYS    14      -5.085  -3.718  11.812          0.003
+ATOM     28  CA  ALA    15      -9.241  -3.724  11.810          0.017
+ATOM     29  CB  ALA    15      -9.560  -4.111  12.382          0.051
+ATOM     30  CA  ALA    16      -8.472  -1.266   9.108          0.019
+ATOM     31  CB  ALA    16      -7.984  -0.690   9.108          0.060
+ATOM     32  CA  ALA    17      -8.844  -3.760   6.283          0.012
+ATOM     33  CB  ALA    17      -9.139  -4.353   5.969          0.042
+ATOM     34  CA  GLY    18      -7.938  -1.148   3.642          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  924.19                                       ENERGY    -2.04004E+01
+ATOM      1  CA  GLY     1       0.692  -0.971  -1.472          0.030
+ATOM      2  CA  ALA     2      -2.161  -2.422   0.494          0.003
+ATOM      3  CB  ALA     2      -2.900  -2.443   0.513          0.032
+ATOM      4  CA  ALA     3       0.108  -5.543   0.029          0.037
+ATOM      5  CB  ALA     3       0.379  -6.049  -0.496          0.049
+ATOM      6  CA  ALA     4       2.543  -4.434   2.733          0.031
+ATOM      7  CB  ALA     4       3.049  -4.029   3.211          0.086
+ATOM      8  CA  CYS     5      -0.247  -2.626   4.656          0.085
+ATOM      9  CB  CYS     5      -0.089  -1.707   3.827          0.018
+ATOM     10  CA  ALA     6      -2.292  -5.841   4.512          0.026
+ATOM     11  CB  ALA     6      -2.303  -6.054   3.827          0.114
+ATOM     12  CA  ALA     7       0.837  -7.910   5.164          0.039
+ATOM     13  CB  ALA     7       1.323  -7.811   4.578          0.021
+ATOM     14  CA  ALA     8       1.767  -5.683   8.004          0.026
+ATOM     15  CB  ALA     8       2.553  -5.816   7.838          0.103
+ATOM     16  CA  ALA     9      -1.764  -4.821   9.002          0.012
+ATOM     17  CB  ALA     9      -2.318  -4.445   8.706          0.049
+ATOM     18  CA  ALA    10      -2.444  -8.495   9.536          0.028
+ATOM     19  CB  ALA    10      -2.489  -8.990   8.940          0.157
+ATOM     20  CA  ALA    11       0.925  -9.071  11.260          0.015
+ATOM     21  CB  ALA    11       1.415  -8.714  10.863          0.079
+ATOM     22  CA  ALA    12       0.095  -6.256  13.613          0.031
+ATOM     23  CB  ALA    12      -0.218  -5.722  13.360          0.017
+ATOM     24  CA  ALA    13      -3.555  -6.742  14.667          0.021
+ATOM     25  CB  ALA    13      -3.949  -6.502  15.260          0.015
+ATOM     26  CA  CYS    14      -5.425  -4.781  12.066          0.018
+ATOM     27  CB  CYS    14      -5.019  -3.635  11.723          0.003
+ATOM     28  CA  ALA    15      -9.134  -4.769  11.692          0.023
+ATOM     29  CB  ALA    15      -9.834  -4.497  11.924          0.050
+ATOM     30  CA  ALA    16      -8.873  -1.584   9.568          0.009
+ATOM     31  CB  ALA    16      -8.223  -1.255   9.364          0.010
+ATOM     32  CA  ALA    17      -7.950  -3.226   6.228          0.034
+ATOM     33  CB  ALA    17      -8.389  -3.824   6.375          0.090
+ATOM     34  CA  GLY    18      -9.107  -0.693   3.579          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  929.19                                       ENERGY    -2.53643E+01
+ATOM      1  CA  GLY     1       0.458  -1.465  -2.646          0.035
+ATOM      2  CA  ALA     2      -1.558  -2.396   0.462          0.019
+ATOM      3  CB  ALA     2      -2.230  -2.619   0.118          0.137
+ATOM      4  CA  ALA     3       0.288  -5.665   0.070          0.031
+ATOM      5  CB  ALA     3       0.598  -6.064  -0.440          0.027
+ATOM      6  CA  ALA     4       2.691  -4.742   2.908          0.033
+ATOM      7  CB  ALA     4       3.406  -4.309   3.048          0.085
+ATOM      8  CA  CYS     5       0.171  -2.386   4.387          0.053
+ATOM      9  CB  CYS     5       0.193  -1.305   3.827          0.022
+ATOM     10  CA  ALA     6      -2.564  -4.935   4.859          0.069
+ATOM     11  CB  ALA     6      -3.281  -4.994   4.551          0.037
+ATOM     12  CA  ALA     7       0.041  -7.762   4.987          0.001
+ATOM     13  CB  ALA     7       0.463  -8.037   4.516          0.072
+ATOM     14  CA  ALA     8       1.675  -6.014   7.958          0.023
+ATOM     15  CB  ALA     8       1.884  -5.301   7.972          0.026
+ATOM     16  CA  ALA     9      -1.750  -5.146   9.290          0.009
+ATOM     17  CB  ALA     9      -2.326  -4.839   8.812          0.165
+ATOM     18  CA  ALA    10      -2.560  -8.779  10.090          0.014
+ATOM     19  CB  ALA    10      -2.782  -9.406   9.905          0.192
+ATOM     20  CA  ALA    11       0.955  -9.011  11.629          0.027
+ATOM     21  CB  ALA    11       1.570  -9.100  11.212          0.061
+ATOM     22  CA  ALA    12       0.365  -5.765  13.557          0.047
+ATOM     23  CB  ALA    12       0.736  -5.305  12.991          0.035
+ATOM     24  CA  ALA    13      -3.223  -6.987  14.186          0.038
+ATOM     25  CB  ALA    13      -3.115  -7.258  14.852          0.129
+ATOM     26  CA  CYS    14      -5.689  -4.676  12.361          0.003
+ATOM     27  CB  CYS    14      -5.266  -3.756  11.663          0.008
+ATOM     28  CA  ALA    15      -9.192  -5.124  10.864          0.003
+ATOM     29  CB  ALA    15      -9.584  -5.626  11.244          0.096
+ATOM     30  CA  ALA    16      -9.228  -1.511   9.620          0.023
+ATOM     31  CB  ALA    16      -9.061  -1.018  10.115          0.076
+ATOM     32  CA  ALA    17      -7.467  -2.326   6.332          0.013
+ATOM     33  CB  ALA    17      -7.682  -3.079   6.366          0.160
+ATOM     34  CA  GLY    18      -9.964  -1.222   3.654          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  934.19                                       ENERGY    -2.65692E+01
+ATOM      1  CA  GLY     1       0.859  -1.747  -3.687          0.047
+ATOM      2  CA  ALA     2      -0.782  -2.031  -0.310          0.063
+ATOM      3  CB  ALA     2      -1.302  -2.151   0.091          0.026
+ATOM      4  CA  ALA     3      -0.081  -5.792   0.000          0.039
+ATOM      5  CB  ALA     3       0.333  -6.418  -0.151          0.200
+ATOM      6  CA  ALA     4       2.561  -4.945   2.558          0.037
+ATOM      7  CB  ALA     4       3.192  -4.924   2.252          0.012
+ATOM      8  CA  CYS     5       0.421  -2.516   4.539          0.024
+ATOM      9  CB  CYS     5       0.227  -1.353   4.104          0.040
+ATOM     10  CA  ALA     6      -2.612  -4.908   4.695          0.003
+ATOM     11  CB  ALA     6      -2.984  -4.877   4.151          0.085
+ATOM     12  CA  ALA     7      -0.236  -7.776   5.222          0.021
+ATOM     13  CB  ALA     7      -0.426  -7.740   4.434          0.075
+ATOM     14  CA  ALA     8       1.453  -5.927   8.148          0.007
+ATOM     15  CB  ALA     8       1.838  -5.350   8.103          0.004
+ATOM     16  CA  ALA     9      -1.938  -5.029   9.536          0.027
+ATOM     17  CB  ALA     9      -2.412  -4.904   8.985          0.053
+ATOM     18  CA  ALA    10      -2.290  -8.799  10.195          0.064
+ATOM     19  CB  ALA    10      -2.276  -9.228   9.494          0.023
+ATOM     20  CA  ALA    11       1.306  -8.813  11.378          0.012
+ATOM     21  CB  ALA    11       1.680  -8.922  10.772          0.072
+ATOM     22  CA  ALA    12       0.508  -6.033  13.917          0.010
+ATOM     23  CB  ALA    12       0.379  -5.374  13.768          0.139
+ATOM     24  CA  ALA    13      -3.227  -6.761  14.284          0.023
+ATOM     25  CB  ALA    13      -3.419  -6.948  14.986          0.198
+ATOM     26  CA  CYS    14      -5.908  -4.496  12.739          0.002
+ATOM     27  CB  CYS    14      -5.439  -3.774  11.888          0.065
+ATOM     28  CA  ALA    15      -8.768  -5.530  10.437          0.051
+ATOM     29  CB  ALA    15      -9.336  -6.099  10.405          0.007
+ATOM     30  CA  ALA    16      -9.706  -1.903   9.851          0.009
+ATOM     31  CB  ALA    16      -9.592  -1.443  10.365          0.092
+ATOM     32  CA  ALA    17      -7.628  -1.537   6.712          0.017
+ATOM     33  CB  ALA    17      -6.928  -1.636   6.700          0.151
+ATOM     34  CA  GLY    18     -10.395  -2.095   4.167          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  939.19                                       ENERGY    -2.19488E+01
+ATOM      1  CA  GLY     1       1.273  -2.729  -3.903          0.022
+ATOM      2  CA  ALA     2      -0.323  -1.783  -0.577          0.027
+ATOM      3  CB  ALA     2      -0.470  -0.993  -0.535          0.075
+ATOM      4  CA  ALA     3      -0.784  -5.547  -0.135          0.029
+ATOM      5  CB  ALA     3      -1.134  -5.973  -0.426          0.186
+ATOM      6  CA  ALA     4       2.335  -5.368   2.103          0.024
+ATOM      7  CB  ALA     4       2.961  -5.200   2.497          0.021
+ATOM      8  CA  CYS     5       0.559  -2.745   4.324          0.005
+ATOM      9  CB  CYS     5       0.594  -1.527   4.037          0.005
+ATOM     10  CA  ALA     6      -2.366  -5.170   4.187          0.004
+ATOM     11  CB  ALA     6      -2.885  -5.267   3.603          0.118
+ATOM     12  CA  ALA     7       0.283  -7.794   5.174          0.014
+ATOM     13  CB  ALA     7       0.854  -8.233   5.115          0.077
+ATOM     14  CA  ALA     8       1.607  -5.406   7.907          0.031
+ATOM     15  CB  ALA     8       2.281  -5.199   7.528          0.093
+ATOM     16  CA  ALA     9      -1.992  -4.616   8.968          0.010
+ATOM     17  CB  ALA     9      -2.556  -4.343   8.504          0.013
+ATOM     18  CA  ALA    10      -2.456  -8.357   9.680          0.031
+ATOM     19  CB  ALA    10      -2.677  -8.890   9.130          0.087
+ATOM     20  CA  ALA    11       0.967  -8.562  11.345          0.035
+ATOM     21  CB  ALA    11       1.517  -8.107  11.190          0.100
+ATOM     22  CA  ALA    12      -0.089  -6.593  14.422          0.037
+ATOM     23  CB  ALA    12       0.127  -5.878  14.580          0.018
+ATOM     24  CA  ALA    13      -3.786  -6.892  14.836          0.011
+ATOM     25  CB  ALA    13      -3.875  -6.586  15.568          0.021
+ATOM     26  CA  CYS    14      -5.927  -4.456  12.871          0.057
+ATOM     27  CB  CYS    14      -5.078  -3.807  12.315          0.004
+ATOM     28  CA  ALA    15      -8.158  -5.755  10.082          0.005
+ATOM     29  CB  ALA    15      -8.642  -6.302   9.881          0.105
+ATOM     30  CA  ALA    16     -10.137  -2.536  10.237          0.032
+ATOM     31  CB  ALA    16     -10.157  -1.854  10.652          0.120
+ATOM     32  CA  ALA    17      -7.979  -0.900   7.544          0.057
+ATOM     33  CB  ALA    17      -7.365  -1.064   7.235          0.025
+ATOM     34  CA  GLY    18      -9.814  -2.825   4.783          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  944.17                                       ENERGY    -3.18766E+01
+ATOM      1  CA  GLY     1       2.234  -2.596  -4.142          0.043
+ATOM      2  CA  ALA     2      -0.182  -1.539  -1.391          0.022
+ATOM      3  CB  ALA     2      -0.840  -1.495  -1.554          0.051
+ATOM      4  CA  ALA     3      -0.808  -5.163  -0.648          0.057
+ATOM      5  CB  ALA     3      -0.521  -5.325  -1.337          0.005
+ATOM      6  CA  ALA     4       2.313  -5.406   1.516          0.082
+ATOM      7  CB  ALA     4       2.543  -5.490   0.869          0.175
+ATOM      8  CA  CYS     5       0.877  -2.948   4.013          0.012
+ATOM      9  CB  CYS     5       0.538  -2.016   3.296          0.023
+ATOM     10  CA  ALA     6      -2.139  -5.207   4.556          0.064
+ATOM     11  CB  ALA     6      -2.724  -5.381   4.191          0.064
+ATOM     12  CA  ALA     7       0.155  -8.020   5.721          0.058
+ATOM     13  CB  ALA     7       0.714  -8.524   5.598          0.045
+ATOM     14  CA  ALA     8       1.889  -5.410   8.007          0.027
+ATOM     15  CB  ALA     8       2.452  -4.941   8.369          0.040
+ATOM     16  CA  ALA     9      -1.514  -4.150   9.157          0.001
+ATOM     17  CB  ALA     9      -1.953  -3.820   8.717          0.199
+ATOM     18  CA  ALA    10      -2.817  -7.680   9.711          0.038
+ATOM     19  CB  ALA    10      -3.098  -7.967   9.122          0.076
+ATOM     20  CA  ALA    11       0.431  -8.559  11.524          0.043
+ATOM     21  CB  ALA    11       1.062  -8.322  11.287          0.114
+ATOM     22  CA  ALA    12      -0.478  -6.552  14.628          0.023
+ATOM     23  CB  ALA    12      -0.559  -5.807  14.601          0.032
+ATOM     24  CA  ALA    13      -4.150  -7.353  14.783          0.042
+ATOM     25  CB  ALA    13      -4.588  -7.468  15.377          0.025
+ATOM     26  CA  CYS    14      -5.898  -4.347  13.270          0.005
+ATOM     27  CB  CYS    14      -5.073  -3.607  12.631          0.075
+ATOM     28  CA  ALA    15      -7.622  -5.589  10.152          0.018
+ATOM     29  CB  ALA    15      -7.727  -6.323  10.181          0.057
+ATOM     30  CA  ALA    16     -10.399  -2.918  10.296          0.068
+ATOM     31  CB  ALA    16     -10.326  -2.911  10.997          0.040
+ATOM     32  CA  ALA    17      -8.469  -0.690   7.959          0.011
+ATOM     33  CB  ALA    17      -7.778  -0.675   8.368          0.083
+ATOM     34  CA  GLY    18      -8.963  -3.186   5.175          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  949.17                                       ENERGY    -1.58712E+01
+ATOM      1  CA  GLY     1       2.943  -2.253  -4.018          0.008
+ATOM      2  CA  ALA     2      -0.067  -1.663  -1.795          0.020
+ATOM      3  CB  ALA     2      -0.464  -1.036  -1.858          0.174
+ATOM      4  CA  ALA     3      -0.957  -5.312  -1.569          0.093
+ATOM      5  CB  ALA     3      -1.222  -5.844  -1.928          0.017
+ATOM      6  CA  ALA     4       2.097  -5.980   0.595          0.003
+ATOM      7  CB  ALA     4       2.784  -5.758   0.785          0.055
+ATOM      8  CA  CYS     5       0.936  -3.229   2.953          0.025
+ATOM      9  CB  CYS     5       0.793  -2.075   2.673          0.040
+ATOM     10  CA  ALA     6      -2.020  -4.967   4.626          0.021
+ATOM     11  CB  ALA     6      -2.573  -5.418   4.254          0.015
+ATOM     12  CA  ALA     7       0.359  -7.733   6.057          0.007
+ATOM     13  CB  ALA     7       0.935  -8.109   5.512          0.083
+ATOM     14  CA  ALA     8       1.997  -5.382   8.651          0.015
+ATOM     15  CB  ALA     8       2.281  -4.710   8.637          0.007
+ATOM     16  CA  ALA     9      -1.364  -3.931   9.678          0.001
+ATOM     17  CB  ALA     9      -1.629  -3.305   9.770          0.018
+ATOM     18  CA  ALA    10      -2.810  -7.418   9.563          0.022
+ATOM     19  CB  ALA    10      -3.198  -7.608   8.941          0.085
+ATOM     20  CA  ALA    11      -0.098  -8.636  11.943          0.003
+ATOM     21  CB  ALA    11       0.521  -8.926  11.706          0.071
+ATOM     22  CA  ALA    12      -1.165  -5.881  14.377          0.003
+ATOM     23  CB  ALA    12      -1.384  -5.242  14.177          0.062
+ATOM     24  CA  ALA    13      -4.502  -7.600  14.516          0.033
+ATOM     25  CB  ALA    13      -4.543  -8.331  14.643          0.015
+ATOM     26  CA  CYS    14      -5.933  -4.195  13.577          0.005
+ATOM     27  CB  CYS    14      -5.123  -3.289  13.238          0.012
+ATOM     28  CA  ALA    15      -7.124  -5.699  10.321          0.013
+ATOM     29  CB  ALA    15      -7.198  -6.404  10.083          0.040
+ATOM     30  CA  ALA    16     -10.417  -3.854  10.383          0.059
+ATOM     31  CB  ALA    16     -10.524  -3.504  11.043          0.129
+ATOM     32  CA  ALA    17      -8.538  -0.945   8.907          0.038
+ATOM     33  CB  ALA    17      -8.241  -0.303   9.070          0.034
+ATOM     34  CA  GLY    18      -8.170  -2.839   5.607          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  954.17                                       ENERGY    -2.16476E+01
+ATOM      1  CA  GLY     1       3.075  -3.003  -3.798          0.047
+ATOM      2  CA  ALA     2       0.282  -1.681  -1.700          0.003
+ATOM      3  CB  ALA     2      -0.272  -1.401  -2.124          0.052
+ATOM      4  CA  ALA     3      -1.245  -5.139  -1.463          0.016
+ATOM      5  CB  ALA     3      -0.997  -5.329  -2.175          0.025
+ATOM      6  CA  ALA     4       1.604  -6.392   0.730          0.003
+ATOM      7  CB  ALA     4       1.887  -6.876   0.247          0.070
+ATOM      8  CA  CYS     5       1.456  -3.179   2.877          0.073
+ATOM      9  CB  CYS     5       1.447  -2.010   2.374          0.012
+ATOM     10  CA  ALA     6      -1.727  -4.402   4.512          0.023
+ATOM     11  CB  ALA     6      -2.393  -4.652   4.156          0.089
+ATOM     12  CA  ALA     7       0.400  -7.235   6.097          0.053
+ATOM     13  CB  ALA     7       0.972  -7.723   6.500          0.143
+ATOM     14  CA  ALA     8       1.877  -4.813   8.538          0.006
+ATOM     15  CB  ALA     8       2.214  -4.464   8.029          0.103
+ATOM     16  CA  ALA     9      -1.660  -4.041   9.803          0.032
+ATOM     17  CB  ALA     9      -2.345  -3.742   9.584          0.066
+ATOM     18  CA  ALA    10      -2.487  -7.642   8.942          0.006
+ATOM     19  CB  ALA    10      -2.598  -8.109   8.430          0.056
+ATOM     20  CA  ALA    11      -0.070  -8.822  11.584          0.005
+ATOM     21  CB  ALA    11       0.663  -8.778  11.467          0.046
+ATOM     22  CA  ALA    12      -1.149  -6.160  14.084          0.014
+ATOM     23  CB  ALA    12      -0.782  -5.493  13.975          0.076
+ATOM     24  CA  ALA    13      -4.639  -7.288  15.090          0.038
+ATOM     25  CB  ALA    13      -4.678  -7.438  15.829          0.124
+ATOM     26  CA  CYS    14      -6.436  -4.241  13.577          0.009
+ATOM     27  CB  CYS    14      -5.603  -3.456  13.237          0.014
+ATOM     28  CA  ALA    15      -7.227  -5.776  10.178          0.058
+ATOM     29  CB  ALA    15      -6.600  -6.145   9.945          0.028
+ATOM     30  CA  ALA    16     -10.712  -4.217  10.145          0.006
+ATOM     31  CB  ALA    16     -10.706  -4.262  10.838          0.020
+ATOM     32  CA  ALA    17      -9.068  -0.847   9.558          0.043
+ATOM     33  CB  ALA    17      -8.448  -0.894   9.961          0.138
+ATOM     34  CA  GLY    18      -7.440  -1.948   6.304          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  959.17                                       ENERGY    -2.18256E+01
+ATOM      1  CA  GLY     1       3.121  -4.074  -3.776          0.008
+ATOM      2  CA  ALA     2       0.708  -1.939  -1.670          0.047
+ATOM      3  CB  ALA     2       0.286  -1.399  -1.886          0.155
+ATOM      4  CA  ALA     3      -1.371  -5.012  -1.167          0.015
+ATOM      5  CB  ALA     3      -2.001  -5.341  -1.368          0.122
+ATOM      6  CA  ALA     4       1.605  -6.405   0.740          0.000
+ATOM      7  CB  ALA     4       2.164  -6.593   0.347          0.006
+ATOM      8  CA  CYS     5       2.076  -3.139   2.584          0.009
+ATOM      9  CB  CYS     5       2.213  -1.980   2.098          0.035
+ATOM     10  CA  ALA     6      -1.289  -4.063   4.149          0.095
+ATOM     11  CB  ALA     6      -2.110  -3.916   4.193          0.034
+ATOM     12  CA  ALA     7       0.321  -7.188   5.618          0.053
+ATOM     13  CB  ALA     7       0.759  -7.670   5.180          0.057
+ATOM     14  CA  ALA     8       1.367  -4.672   8.349          0.045
+ATOM     15  CB  ALA     8       1.643  -3.959   8.318          0.071
+ATOM     16  CA  ALA     9      -2.264  -4.243   9.088          0.011
+ATOM     17  CB  ALA     9      -2.983  -4.092   8.942          0.047
+ATOM     18  CA  ALA    10      -2.572  -7.980   9.078          0.003
+ATOM     19  CB  ALA    10      -2.670  -8.077   8.352          0.053
+ATOM     20  CA  ALA    11       0.172  -8.492  11.615          0.004
+ATOM     21  CB  ALA    11       0.825  -8.284  11.521          0.037
+ATOM     22  CA  ALA    12      -1.397  -6.090  14.099          0.033
+ATOM     23  CB  ALA    12      -1.771  -5.782  13.542          0.012
+ATOM     24  CA  ALA    13      -4.849  -7.149  15.359          0.025
+ATOM     25  CB  ALA    13      -4.994  -6.986  16.080          0.043
+ATOM     26  CA  CYS    14      -6.156  -4.047  13.557          0.005
+ATOM     27  CB  CYS    14      -5.307  -3.275  13.156          0.006
+ATOM     28  CA  ALA    15      -6.735  -6.195  10.510          0.009
+ATOM     29  CB  ALA    15      -7.075  -6.837  10.733          0.014
+ATOM     30  CA  ALA    16     -10.223  -4.826   9.886          0.013
+ATOM     31  CB  ALA    16     -11.000  -4.936   9.798          0.121
+ATOM     32  CA  ALA    17      -9.164  -1.208  10.536          0.061
+ATOM     33  CB  ALA    17      -8.693  -0.782  10.994          0.079
+ATOM     34  CA  GLY    18      -7.711  -0.804   7.073          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  964.17                                       ENERGY    -2.25384E+01
+ATOM      1  CA  GLY     1       2.811  -4.522  -3.971          0.014
+ATOM      2  CA  ALA     2       0.405  -2.023  -2.257          0.078
+ATOM      3  CB  ALA     2       0.276  -1.568  -2.904          0.035
+ATOM      4  CA  ALA     3      -1.200  -4.791  -0.214          0.117
+ATOM      5  CB  ALA     3      -1.702  -5.266  -0.509          0.240
+ATOM      6  CA  ALA     4       2.158  -6.155   0.813          0.007
+ATOM      7  CB  ALA     4       2.814  -6.464   0.531          0.027
+ATOM      8  CA  CYS     5       2.706  -3.127   2.999          0.020
+ATOM      9  CB  CYS     5       2.764  -2.425   1.996          0.072
+ATOM     10  CA  ALA     6      -0.950  -3.308   3.812          0.001
+ATOM     11  CB  ALA     6      -1.539  -3.415   3.399          0.069
+ATOM     12  CA  ALA     7      -0.248  -6.872   5.000          0.023
+ATOM     13  CB  ALA     7       0.140  -7.543   5.188          0.228
+ATOM     14  CA  ALA     8       1.259  -4.997   7.927          0.082
+ATOM     15  CB  ALA     8       1.928  -4.626   7.993          0.025
+ATOM     16  CA  ALA     9      -2.283  -4.277   9.138          0.007
+ATOM     17  CB  ALA     9      -2.799  -3.863   9.020          0.005
+ATOM     18  CA  ALA    10      -2.762  -8.045   8.927          0.036
+ATOM     19  CB  ALA    10      -2.654  -8.740   8.736          0.109
+ATOM     20  CA  ALA    11       0.129  -8.255  11.372          0.000
+ATOM     21  CB  ALA    11       0.633  -8.001  10.862          0.008
+ATOM     22  CA  ALA    12      -1.729  -6.021  13.887          0.024
+ATOM     23  CB  ALA    12      -1.342  -5.391  13.762          0.029
+ATOM     24  CA  ALA    13      -5.033  -6.729  15.640          0.004
+ATOM     25  CB  ALA    13      -4.828  -6.386  16.269          0.057
+ATOM     26  CA  CYS    14      -6.574  -4.104  13.410          0.004
+ATOM     27  CB  CYS    14      -5.498  -3.613  13.010          0.042
+ATOM     28  CA  ALA    15      -7.199  -6.547  10.577          0.001
+ATOM     29  CB  ALA    15      -6.877  -7.213  10.539          0.018
+ATOM     30  CA  ALA    16     -10.508  -4.826   9.858          0.018
+ATOM     31  CB  ALA    16     -10.776  -5.448  10.296          0.051
+ATOM     32  CA  ALA    17      -9.252  -1.503  11.217          0.014
+ATOM     33  CB  ALA    17      -8.903  -0.933  11.626          0.138
+ATOM     34  CA  GLY    18      -7.981  -0.186   7.906          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  969.17                                       ENERGY    -1.61696E+01
+ATOM      1  CA  GLY     1       2.540  -4.914  -4.698          0.011
+ATOM      2  CA  ALA     2       0.820  -2.420  -2.500          0.033
+ATOM      3  CB  ALA     2       0.365  -1.939  -2.248          0.021
+ATOM      4  CA  ALA     3      -0.897  -5.105  -0.399          0.017
+ATOM      5  CB  ALA     3      -1.225  -5.567   0.067          0.020
+ATOM      6  CA  ALA     4       2.577  -6.370   0.697          0.020
+ATOM      7  CB  ALA     4       2.864  -6.291   0.090          0.010
+ATOM      8  CA  CYS     5       3.039  -3.029   2.523          0.048
+ATOM      9  CB  CYS     5       3.280  -2.054   1.876          0.025
+ATOM     10  CA  ALA     6      -0.568  -2.925   3.946          0.018
+ATOM     11  CB  ALA     6      -1.238  -2.802   3.545          0.057
+ATOM     12  CA  ALA     7      -0.413  -6.641   4.902          0.027
+ATOM     13  CB  ALA     7      -0.269  -7.260   4.528          0.189
+ATOM     14  CA  ALA     8       1.300  -5.199   7.897          0.009
+ATOM     15  CB  ALA     8       1.597  -4.614   7.875          0.028
+ATOM     16  CA  ALA     9      -2.069  -4.075   9.348          0.040
+ATOM     17  CB  ALA     9      -2.241  -3.907   8.638          0.092
+ATOM     18  CA  ALA    10      -3.343  -7.688   9.328          0.003
+ATOM     19  CB  ALA    10      -3.470  -7.578   8.632          0.039
+ATOM     20  CA  ALA    11      -0.233  -8.560  11.211          0.011
+ATOM     21  CB  ALA    11       0.482  -8.603  11.291          0.052
+ATOM     22  CA  ALA    12      -1.206  -5.990  13.843          0.008
+ATOM     23  CB  ALA    12      -1.059  -5.255  13.828          0.016
+ATOM     24  CA  ALA    13      -4.531  -6.925  15.471          0.007
+ATOM     25  CB  ALA    13      -4.772  -7.337  16.098          0.195
+ATOM     26  CA  CYS    14      -6.294  -4.021  13.667          0.004
+ATOM     27  CB  CYS    14      -5.736  -3.336  12.832          0.009
+ATOM     28  CA  ALA    15      -7.187  -6.119  10.641          0.058
+ATOM     29  CB  ALA    15      -6.903  -6.785  10.478          0.033
+ATOM     30  CA  ALA    16     -10.866  -5.062  10.742          0.032
+ATOM     31  CB  ALA    16     -11.537  -4.833  10.612          0.034
+ATOM     32  CA  ALA    17     -10.104  -1.377  11.359          0.014
+ATOM     33  CB  ALA    17      -9.820  -1.910  11.875          0.025
+ATOM     34  CA  GLY    18      -8.250  -1.102   8.041          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  974.16                                       ENERGY    -2.43723E+01
+ATOM      1  CA  GLY     1       1.750  -4.985  -5.205          0.011
+ATOM      2  CA  ALA     2       1.013  -2.595  -2.302          0.011
+ATOM      3  CB  ALA     2       0.910  -1.887  -2.585          0.039
+ATOM      4  CA  ALA     3      -0.678  -5.343  -0.315          0.036
+ATOM      5  CB  ALA     3      -0.842  -5.669  -0.899          0.077
+ATOM      6  CA  ALA     4       2.649  -6.460   1.236          0.032
+ATOM      7  CB  ALA     4       3.083  -6.878   0.859          0.155
+ATOM      8  CA  CYS     5       3.210  -2.945   2.825          0.019
+ATOM      9  CB  CYS     5       3.464  -2.128   1.899          0.029
+ATOM     10  CA  ALA     6      -0.473  -2.840   3.625          0.028
+ATOM     11  CB  ALA     6      -0.902  -2.908   3.187          0.121
+ATOM     12  CA  ALA     7      -0.321  -6.402   4.900          0.008
+ATOM     13  CB  ALA     7      -0.187  -6.835   4.379          0.102
+ATOM     14  CA  ALA     8       1.654  -5.114   7.902          0.072
+ATOM     15  CB  ALA     8       2.378  -4.930   7.933          0.007
+ATOM     16  CA  ALA     9      -1.488  -3.559   9.416          0.085
+ATOM     17  CB  ALA     9      -1.930  -3.003   9.354          0.068
+ATOM     18  CA  ALA    10      -3.168  -6.860   8.826          0.089
+ATOM     19  CB  ALA    10      -3.321  -7.488   8.520          0.031
+ATOM     20  CA  ALA    11      -0.869  -8.614  11.303          0.017
+ATOM     21  CB  ALA    11      -0.393  -9.059  11.095          0.024
+ATOM     22  CA  ALA    12      -1.298  -5.491  13.395          0.001
+ATOM     23  CB  ALA    12      -1.541  -4.850  13.166          0.000
+ATOM     24  CA  ALA    13      -4.402  -7.172  14.866          0.012
+ATOM     25  CB  ALA    13      -4.802  -7.509  15.447          0.012
+ATOM     26  CA  CYS    14      -6.353  -4.376  13.196          0.033
+ATOM     27  CB  CYS    14      -5.673  -3.463  12.784          0.006
+ATOM     28  CA  ALA    15      -7.975  -6.355  10.382          0.105
+ATOM     29  CB  ALA    15      -7.583  -6.989  10.648          0.098
+ATOM     30  CA  ALA    16     -11.299  -5.119  11.750          0.029
+ATOM     31  CB  ALA    16     -11.368  -5.521  12.366          0.154
+ATOM     32  CA  ALA    17      -9.971  -1.584  11.818          0.015
+ATOM     33  CB  ALA    17      -9.674  -1.049  12.179          0.083
+ATOM     34  CA  GLY    18      -8.949  -1.598   8.146          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  979.16                                       ENERGY    -2.91458E+01
+ATOM      1  CA  GLY     1       1.582  -4.705  -5.838          0.011
+ATOM      2  CA  ALA     2       1.723  -2.957  -2.452          0.012
+ATOM      3  CB  ALA     2       1.486  -2.473  -1.925          0.186
+ATOM      4  CA  ALA     3      -0.386  -5.521  -0.746          0.050
+ATOM      5  CB  ALA     3      -0.995  -5.851  -1.125          0.068
+ATOM      6  CA  ALA     4       2.546  -6.451   1.480          0.008
+ATOM      7  CB  ALA     4       3.234  -6.525   1.356          0.010
+ATOM      8  CA  CYS     5       3.018  -2.957   2.911          0.007
+ATOM      9  CB  CYS     5       3.664  -2.211   2.122          0.040
+ATOM     10  CA  ALA     6      -0.715  -3.120   3.712          0.008
+ATOM     11  CB  ALA     6      -1.074  -2.590   3.294          0.078
+ATOM     12  CA  ALA     7      -0.315  -6.540   5.135          0.026
+ATOM     13  CB  ALA     7      -0.194  -7.214   5.248          0.022
+ATOM     14  CA  ALA     8       2.176  -5.298   7.763          0.021
+ATOM     15  CB  ALA     8       2.596  -4.772   7.526          0.073
+ATOM     16  CA  ALA     9      -0.783  -3.343   9.229          0.022
+ATOM     17  CB  ALA     9      -1.014  -2.636   9.225          0.084
+ATOM     18  CA  ALA    10      -3.368  -5.989   8.556          0.024
+ATOM     19  CB  ALA    10      -3.354  -5.984   7.866          0.270
+ATOM     20  CA  ALA    11      -1.117  -8.370  10.487          0.008
+ATOM     21  CB  ALA    11      -0.454  -8.646  10.432          0.019
+ATOM     22  CA  ALA    12      -1.043  -6.268  13.651          0.018
+ATOM     23  CB  ALA    12      -1.065  -5.758  13.125          0.060
+ATOM     24  CA  ALA    13      -4.609  -7.163  14.630          0.021
+ATOM     25  CB  ALA    13      -4.675  -7.368  15.358          0.005
+ATOM     26  CA  CYS    14      -6.113  -4.118  12.928          0.010
+ATOM     27  CB  CYS    14      -5.446  -3.144  12.468          0.091
+ATOM     28  CA  ALA    15      -8.216  -6.399  10.688          0.015
+ATOM     29  CB  ALA    15      -8.675  -6.974  10.828          0.152
+ATOM     30  CA  ALA    16     -11.413  -5.353  12.466          0.024
+ATOM     31  CB  ALA    16     -11.732  -5.476  13.073          0.210
+ATOM     32  CA  ALA    17     -10.502  -1.719  12.139          0.127
+ATOM     33  CB  ALA    17      -9.969  -1.391  12.466          0.063
+ATOM     34  CA  GLY    18     -10.511  -2.105   8.364          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  984.16                                       ENERGY    -3.09296E+01
+ATOM      1  CA  GLY     1       1.388  -4.711  -5.687          0.013
+ATOM      2  CA  ALA     2       2.286  -2.984  -2.485          0.001
+ATOM      3  CB  ALA     2       2.124  -2.372  -2.128          0.084
+ATOM      4  CA  ALA     3      -0.098  -5.187  -0.514          0.026
+ATOM      5  CB  ALA     3      -0.185  -5.847  -0.853          0.021
+ATOM      6  CA  ALA     4       2.704  -6.674   1.606          0.081
+ATOM      7  CB  ALA     4       3.107  -7.337   1.305          0.036
+ATOM      8  CA  CYS     5       3.053  -3.340   3.291          0.009
+ATOM      9  CB  CYS     5       3.205  -2.249   2.707          0.010
+ATOM     10  CA  ALA     6      -0.676  -3.228   3.590          0.034
+ATOM     11  CB  ALA     6      -1.354  -3.460   3.305          0.098
+ATOM     12  CA  ALA     7      -0.568  -6.650   5.089          0.011
+ATOM     13  CB  ALA     7      -0.331  -6.884   4.410          0.116
+ATOM     14  CA  ALA     8       2.010  -5.469   7.591          0.077
+ATOM     15  CB  ALA     8       2.738  -5.591   7.424          0.169
+ATOM     16  CA  ALA     9      -0.080  -2.856   9.346          0.072
+ATOM     17  CB  ALA     9       0.353  -2.402   8.996          0.025
+ATOM     18  CA  ALA    10      -3.054  -5.054   8.386          0.021
+ATOM     19  CB  ALA    10      -3.233  -4.930   7.717          0.008
+ATOM     20  CA  ALA    11      -1.489  -8.104  10.065          0.035
+ATOM     21  CB  ALA    11      -1.134  -8.558   9.579          0.186
+ATOM     22  CA  ALA    12      -0.944  -6.168  13.224          0.011
+ATOM     23  CB  ALA    12      -0.974  -5.427  13.075          0.035
+ATOM     24  CA  ALA    13      -4.387  -7.175  14.412          0.006
+ATOM     25  CB  ALA    13      -4.598  -7.286  15.111          0.080
+ATOM     26  CA  CYS    14      -6.152  -4.186  12.967          0.005
+ATOM     27  CB  CYS    14      -5.467  -3.600  12.116          0.050
+ATOM     28  CA  ALA    15      -8.514  -6.365  10.886          0.019
+ATOM     29  CB  ALA    15      -7.985  -6.786  10.598          0.161
+ATOM     30  CA  ALA    16     -11.373  -5.516  13.155          0.006
+ATOM     31  CB  ALA    16     -11.279  -5.271  13.882          0.287
+ATOM     32  CA  ALA    17     -10.878  -1.826  12.265          0.130
+ATOM     33  CB  ALA    17     -10.322  -1.347  12.276          0.024
+ATOM     34  CA  GLY    18     -12.893  -2.350   9.084          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  989.16                                       ENERGY    -1.77547E+01
+ATOM      1  CA  GLY     1       1.918  -4.300  -5.571          0.008
+ATOM      2  CA  ALA     2       2.498  -2.984  -2.099          0.028
+ATOM      3  CB  ALA     2       2.766  -2.316  -2.225          0.072
+ATOM      4  CA  ALA     3       0.055  -5.426  -0.507          0.016
+ATOM      5  CB  ALA     3      -0.580  -5.721  -0.670          0.005
+ATOM      6  CA  ALA     4       2.887  -6.654   1.685          0.001
+ATOM      7  CB  ALA     4       3.662  -6.716   1.700          0.036
+ATOM      8  CA  CYS     5       3.137  -3.276   3.303          0.009
+ATOM      9  CB  CYS     5       3.138  -2.420   2.508          0.028
+ATOM     10  CA  ALA     6      -0.545  -3.299   3.688          0.006
+ATOM     11  CB  ALA     6      -0.656  -2.508   3.688          0.026
+ATOM     12  CA  ALA     7      -0.472  -7.018   4.654          0.043
+ATOM     13  CB  ALA     7      -0.470  -7.704   4.338          0.044
+ATOM     14  CA  ALA     8       1.744  -6.700   7.624          0.054
+ATOM     15  CB  ALA     8       2.429  -6.598   7.998          0.092
+ATOM     16  CA  ALA     9       0.366  -3.225   8.346          0.003
+ATOM     17  CB  ALA     9       0.373  -2.544   8.174          0.125
+ATOM     18  CA  ALA    10      -3.262  -4.346   8.161          0.019
+ATOM     19  CB  ALA    10      -3.561  -4.777   7.658          0.112
+ATOM     20  CA  ALA    11      -2.195  -7.614   9.811          0.013
+ATOM     21  CB  ALA    11      -1.717  -7.815   9.296          0.003
+ATOM     22  CA  ALA    12      -1.057  -5.678  12.887          0.016
+ATOM     23  CB  ALA    12      -1.069  -5.010  13.219          0.016
+ATOM     24  CA  ALA    13      -4.241  -6.754  14.544          0.033
+ATOM     25  CB  ALA    13      -4.474  -7.275  15.067          0.039
+ATOM     26  CA  CYS    14      -5.829  -3.868  12.791          0.019
+ATOM     27  CB  CYS    14      -4.874  -3.398  12.144          0.023
+ATOM     28  CA  ALA    15      -8.362  -6.117  10.987          0.018
+ATOM     29  CB  ALA    15      -8.904  -6.414  10.652          0.069
+ATOM     30  CA  ALA    16     -11.198  -5.672  13.476          0.040
+ATOM     31  CB  ALA    16     -11.042  -5.909  14.118          0.097
+ATOM     32  CA  ALA    17     -11.108  -2.109  12.188          0.072
+ATOM     33  CB  ALA    17     -10.403  -2.077  11.837          0.043
+ATOM     34  CA  GLY    18     -14.546  -2.957  10.746          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  994.16                                       ENERGY    -3.39271E+01
+ATOM      1  CA  GLY     1       2.385  -4.641  -5.619          0.011
+ATOM      2  CA  ALA     2       2.938  -2.690  -2.352          0.025
+ATOM      3  CB  ALA     2       2.895  -2.038  -1.932          0.025
+ATOM      4  CA  ALA     3       0.431  -4.987  -0.554          0.024
+ATOM      5  CB  ALA     3       0.137  -5.632  -0.722          0.007
+ATOM      6  CA  ALA     4       3.076  -6.577   1.674          0.027
+ATOM      7  CB  ALA     4       3.331  -7.149   1.410          0.011
+ATOM      8  CA  CYS     5       3.246  -3.450   3.700          0.023
+ATOM      9  CB  CYS     5       3.960  -2.836   2.822          0.052
+ATOM     10  CA  ALA     6      -0.494  -3.139   3.531          0.011
+ATOM     11  CB  ALA     6      -1.073  -3.428   3.130          0.058
+ATOM     12  CA  ALA     7      -0.930  -6.844   4.381          0.064
+ATOM     13  CB  ALA     7      -0.461  -6.998   3.798          0.065
+ATOM     14  CA  ALA     8       1.401  -6.515   7.446          0.092
+ATOM     15  CB  ALA     8       1.733  -7.071   7.159          0.082
+ATOM     16  CA  ALA     9       0.001  -3.147   8.566          0.079
+ATOM     17  CB  ALA     9       0.494  -2.841   8.095          0.025
+ATOM     18  CA  ALA    10      -3.424  -4.535   8.066          0.046
+ATOM     19  CB  ALA    10      -3.850  -4.330   7.537          0.083
+ATOM     20  CA  ALA    11      -2.484  -7.802   9.767          0.014
+ATOM     21  CB  ALA    11      -2.065  -8.424   9.559          0.119
+ATOM     22  CA  ALA    12      -1.052  -5.980  12.785          0.011
+ATOM     23  CB  ALA    12      -0.689  -5.387  12.452          0.087
+ATOM     24  CA  ALA    13      -4.439  -6.127  14.604          0.031
+ATOM     25  CB  ALA    13      -4.516  -5.853  15.247          0.082
+ATOM     26  CA  CYS    14      -6.022  -3.327  12.558          0.039
+ATOM     27  CB  CYS    14      -4.890  -3.070  12.061          0.041
+ATOM     28  CA  ALA    15      -8.124  -6.068  10.904          0.020
+ATOM     29  CB  ALA    15      -7.515  -6.529  10.849          0.120
+ATOM     30  CA  ALA    16     -10.598  -6.009  13.709          0.051
+ATOM     31  CB  ALA    16     -10.474  -5.935  14.403          0.196
+ATOM     32  CA  ALA    17     -11.811  -2.661  12.493          0.107
+ATOM     33  CB  ALA    17     -11.453  -2.570  11.870          0.057
+ATOM     34  CA  GLY    18     -15.617  -2.903  12.298          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
+REMARK time  999.16                                       ENERGY    -3.04333E+01
+ATOM      1  CA  GLY     1       3.424  -4.179  -5.389          0.077
+ATOM      2  CA  ALA     2       3.517  -2.822  -1.847          0.001
+ATOM      3  CB  ALA     2       3.468  -2.178  -1.480          0.057
+ATOM      4  CA  ALA     3       0.599  -4.968  -0.885          0.019
+ATOM      5  CB  ALA     3      -0.084  -5.251  -1.120          0.087
+ATOM      6  CA  ALA     4       2.655  -6.956   1.592          0.011
+ATOM      7  CB  ALA     4       3.332  -7.000   1.187          0.125
+ATOM      8  CA  CYS     5       3.301  -3.844   3.693          0.024
+ATOM      9  CB  CYS     5       4.284  -3.373   2.972          0.026
+ATOM     10  CA  ALA     6      -0.402  -2.888   3.368          0.002
+ATOM     11  CB  ALA     6      -0.259  -2.251   3.200          0.023
+ATOM     12  CA  ALA     7      -1.327  -6.499   3.983          0.050
+ATOM     13  CB  ALA     7      -1.409  -7.114   3.609          0.063
+ATOM     14  CA  ALA     8       1.186  -6.929   6.814          0.008
+ATOM     15  CB  ALA     8       1.693  -6.756   7.261          0.057
+ATOM     16  CA  ALA     9      -0.033  -3.715   8.314          0.034
+ATOM     17  CB  ALA     9       0.116  -3.134   7.941          0.200
+ATOM     18  CA  ALA    10      -3.646  -4.769   7.710          0.034
+ATOM     19  CB  ALA    10      -4.079  -5.258   7.375          0.087
+ATOM     20  CA  ALA    11      -3.188  -7.599  10.152          0.078
+ATOM     21  CB  ALA    11      -3.083  -8.198   9.947          0.119
+ATOM     22  CA  ALA    12      -1.155  -5.588  12.701          0.008
+ATOM     23  CB  ALA    12      -0.709  -5.393  12.141          0.089
+ATOM     24  CA  ALA    13      -4.048  -5.123  15.070          0.013
+ATOM     25  CB  ALA    13      -4.062  -4.895  15.808          0.083
+ATOM     26  CA  CYS    14      -5.892  -3.097  12.451          0.036
+ATOM     27  CB  CYS    14      -4.900  -2.581  11.800          0.040
+ATOM     28  CA  ALA    15      -7.471  -6.107  10.744          0.031
+ATOM     29  CB  ALA    15      -7.590  -6.740  10.551          0.007
+ATOM     30  CA  ALA    16     -10.038  -6.280  13.472          0.033
+ATOM     31  CB  ALA    16      -9.592  -6.389  14.078          0.034
+ATOM     32  CA  ALA    17     -12.470  -3.466  12.701          0.030
+ATOM     33  CB  ALA    17     -12.504  -2.994  12.143          0.179
+ATOM     34  CA  GLY    18     -16.032  -2.829  13.929          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL
diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/unres_eval.csh b/examples/unres/new/microcanonical/DYN_SS/hth/unres_eval.csh
new file mode 100755
index 0000000..787be7f
--- /dev/null
+++ b/examples/unres/new/microcanonical/DYN_SS/hth/unres_eval.csh
@@ -0,0 +1,24 @@
+#!/bin/csh
+setenv FGPROCS 1
+setenv POT GB
+setenv PREFIX small
+setenv OUT1FILE NO
+#-----------------------------------------------------------------------------
+setenv UNRES_BIN /users/czarek/UNRES/GIT/unres/bin/unres/MD/unres_ifort_MPICH_GAB.exe
+#-----------------------------------------------------------------------------
+setenv DD /users/czarek/UNRES/GIT/unres/PARAM
+setenv BONDPAR $DD/bond.parm
+setenv THETPAR $DD/thetaml.5parm
+setenv ROTPAR $DD/scgauss.parm
+setenv TORPAR $DD/torsion_631Gdp.parm
+setenv TORDPAR $DD/torsion_double_631Gdp.parm
+setenv ELEPAR $DD/electr_631Gdp.parm
+setenv SIDEPAR $DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k
+setenv FOURIER $DD/fourier_opt.parm.1igd_hc_iter3_3
+setenv SCCORPAR $DD/sccor_pdb_shelly.dat
+setenv SCPPAR $DD/scp.parm
+setenv PATTERN $DD/patterns.cart
+setenv PRINT_PARM NO
+#-----------------------------------------------------------------------------
+
+$UNRES_BIN $*
diff --git a/source/unres/src_MD/COMMON.DERIV b/source/unres/src_MD/COMMON.DERIV
index 2a5ddcf..6fdb1aa 100644
--- a/source/unres/src_MD/COMMON.DERIV
+++ b/source/unres/src_MD/COMMON.DERIV
@@ -2,7 +2,7 @@
      & gvdwpp,gel_loc,gel_loc_long,gvdwc_scpp,
      & gradx_scp,gvdwc_scp,ghpbx,ghpbc,gloc,gloc_x,dtheta,dphi,dalpha,
      & domega,gscloc,gsclocx,gradcorr,gradcorr_long,gradcorr5_long,
-     & gradcorr6_long,gcorr6_turn_long,gvdwcT,gvdwxT
+     & gradcorr6_long,gcorr6_turn_long,gvdwcT,gvdwxT,gvdwx
       integer nfl,icg
       common /derivatT/ gvdwcT(3,maxres),gvdwxT(3,maxres)
       common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres),
diff --git a/source/unres/src_MD/cinfo.f b/source/unres/src_MD/cinfo.f
index a3b8107..d2b4e20 100644
--- a/source/unres/src_MD/cinfo.f
+++ b/source/unres/src_MD/cinfo.f
@@ -1,10 +1,10 @@
 C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
-C 3 1 41
+C 3 1 51
       subroutine cinfo
       include 'COMMON.IOUNITS'
       write(iout,*)'++++ Compile info ++++'
-      write(iout,*)'Version 3.1 build 41'
-      write(iout,*)'compiled Fri Feb 15 01:43:03 2013'
+      write(iout,*)'Version 3.1 build 51'
+      write(iout,*)'compiled Fri Feb 15 09:57:56 2013'
       write(iout,*)'compiled by czarek@piasek3'
       write(iout,*)'OS name:    Linux '
       write(iout,*)'OS release: 2.6.32-42-generic '
diff --git a/source/unres/src_MD/energy_p_new_barrier.F b/source/unres/src_MD/energy_p_new_barrier.F
index 98c5191..f5c8532 100644
--- a/source/unres/src_MD/energy_p_new_barrier.F
+++ b/source/unres/src_MD/energy_p_new_barrier.F
@@ -1589,7 +1589,7 @@ C
             IF (dyn_ss_mask(i).and.dyn_ss_mask(j)) THEN
               call dyn_ssbond_ene(i,j,evdwij)
               evdw=evdw+evdwij
-              write(iout,*) 'dyn_ssbond_ene ',evdwij
+cdebug              write(iout,*) 'dyn_ssbond_ene ',evdwij
             ELSE
             ind=ind+1
             itypj=itype(j)
@@ -4278,7 +4278,12 @@ c        write (iout,*) "i",i," ii",ii," iii",iii," jj",jj," jjj",jjj,
 c     &    dhpb(i),dhpb1(i),forcon(i)
 C 24/11/03 AL: SS bridges handled separately because of introducing a specific
 C    distance and angle dependent SS bond potential.
-        if (ii.gt.nres .and. itype(iii).eq.1 .and. itype(jjj).eq.1) then
+cmc        if (ii.gt.nres .and. itype(iii).eq.1 .and. itype(jjj).eq.1) then
+C 18/07/06 MC: Use the convention that the first nss pairs are SS bonds
+c          if (.not.dyn_ss .and. i.le.nss) then
+C 15/02/13 CC dynamic SSbond
+        if (.not.dyn_ss.and.
+     &   ii.gt.nres .and. itype(iii).eq.1 .and. itype(jjj).eq.1) then 
           call ssbond_ene(iii,jjj,eij)
           ehpb=ehpb+2*eij
 c          write (iout,*) "eij",eij
diff --git a/source/unres/src_MD/ssMD.F b/source/unres/src_MD/ssMD.F
index b425056..21bc6cb 100644
--- a/source/unres/src_MD/ssMD.F
+++ b/source/unres/src_MD/ssMD.F
@@ -400,10 +400,10 @@ c-------END SECOND METHOD, CONTINUOUS SECOND DERIVATIVE
       if (havebond) then
 #ifndef CLUST
 #ifndef WHAM
-        if (dyn_ssbond_ij(i,j).eq.1.0d300) then
-          write(iout,'(a15,f12.2,f8.1,2i5)')
-     &         "SSBOND_E_FORM",totT,t_bath,i,j
-        endif
+c        if (dyn_ssbond_ij(i,j).eq.1.0d300) then
+c          write(iout,'(a15,f12.2,f8.1,2i5)')
+c     &         "SSBOND_E_FORM",totT,t_bath,i,j
+c        endif
 #endif
 #endif
         dyn_ssbond_ij(i,j)=eij
@@ -411,8 +411,8 @@ c-------END SECOND METHOD, CONTINUOUS SECOND DERIVATIVE
         dyn_ssbond_ij(i,j)=1.0d300
 #ifndef CLUST
 #ifndef WHAM
-        write(iout,'(a15,f12.2,f8.1,2i5)')
-     &       "SSBOND_E_BREAK",totT,t_bath,i,j
+c        write(iout,'(a15,f12.2,f8.1,2i5)')
+c     &       "SSBOND_E_BREAK",totT,t_bath,i,j
 #endif
 #endif
       endif
@@ -449,10 +449,15 @@ c-------END TESTING CODE
      &       +(eom12*(dc_norm(k,nres+i)-om12*dc_norm(k,nres+j))
      &       +eom2*(erij(k)-om2*dc_norm(k,nres+j)))*dscj_inv
       enddo
-      do k=i,j-1
-        do l=1,3
-          gvdwc(l,k)=gvdwc(l,k)+gg(l)
-        enddo
+cgrad      do k=i,j-1
+cgrad        do l=1,3
+cgrad          gvdwc(l,k)=gvdwc(l,k)+gg(l)
+cgrad        enddo
+cgrad      enddo
+
+      do l=1,3
+        gvdwc(l,i)=gvdwc(l,i)-gg(l)
+        gvdwc(l,j)=gvdwc(l,j)+gg(l)
       enddo
 
       return
-- 
1.7.9.5


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literal 0 HcmV?d00001 diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/mchincio/small_s.inp b/examples/unres/new/MD/DYN_SS/dyn_ss/mchincio/small_s.inp new file mode 100644 index 0000000..26ba850 --- /dev/null +++ b/examples/unres/new/MD/DYN_SS/dyn_ss/mchincio/small_s.inp @@ -0,0 +1,21 @@ +small +SEED=-1111333 MD ONE_LETTER +nstep=20000 dt=0.1 ntwe=1000 ntwx=300 lang=0 tbf tau_bath=1.0 t_bath=400 & +reset_moment=1000 reset_vel=0 damax=5.0 eq_time=1000 MDPDB +WSC=1.00000 WSCP=2.79405 WELEC=0.14581 WANG=1.95684 WSCLOC=0.17010 & +WTOR=2.04698 WTORD=1.69624 WCORRH=1.84615 WCORR5=0.02730 WCORR6=0.00741 & +WEL_LOC=1.21837 WTURN3=2.91386 WTURN4=0.73178 WTURN6=0.02391 WBOND=1.0 & +CUTOFF=7.00000 WCORR4=0.00000 DYN_SS +18 +GAAACAAAAAAAACAAAG +2 5 14 +0 5 14 + 0 + 94.2219 126.4898 126.2438 93.7788 91.7249 93.0837 110.1165 106.6607 + 125.1575 92.0650 121.3357 124.2571 95.2345 130.5054 128.1360 93.0353 + -165.8597 -83.7767 -152.9424 76.6120 81.3368 -98.0882 88.3802 83.5550 + 175.2420 81.8485 -82.7157 -174.3585 87.2913 -95.5596 -166.1878 + 131.2386 132.3133 159.3888 133.7583 129.3963 131.2540 136.3920 139.4020 + 166.7033 127.2227 143.6798 167.3618 129.9654 144.5352 164.5225 129.4223 + -75.7255 -78.7421 -84.7043 -88.2502 -78.0209 -77.9090 -105.8559 -104.7940 + -78.0708 -75.8135 -92.6663 -82.4680 -104.3999 -81.1931 -79.8257 -76.0235 diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/mchincio/small_s.intin b/examples/unres/new/MD/DYN_SS/dyn_ss/mchincio/small_s.intin new file mode 100644 index 0000000..e69de29 diff --git a/examples/unres/new/MD/DYN_SS/dyn_ss/mchincio/small_s.out_GB000 b/examples/unres/new/MD/DYN_SS/dyn_ss/mchincio/small_s.out_GB000 new file mode 100644 index 0000000..642faed --- /dev/null +++ b/examples/unres/new/MD/DYN_SS/dyn_ss/mchincio/small_s.out_GB000 @@ -0,0 +1,10217 @@ +-------------------------------------------------------------------------------- + FILE ASSIGNMENT +-------------------------------------------------------------------------------- + Input file : small_s.inp + Output file : small_s.out_GB000 + + Sidechain potential file : + /users/czarek/UNRES/GIT/unres/PARAM/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16- + 10-8k + SCp potential file : /users/czarek/UNRES/GIT/unres/PARAM/scp.parm + Electrostatic potential file : + /users/czarek/UNRES/GIT/unres/PARAM/electr_631Gdp.parm + Cumulant coefficient file : + /users/czarek/UNRES/GIT/unres/PARAM/fourier_opt.parm.1igd_hc_iter3_3 + Torsional parameter file : + /users/czarek/UNRES/GIT/unres/PARAM/torsion_631Gdp.parm + Double torsional parameter file : + /users/czarek/UNRES/GIT/unres/PARAM/torsion_double_631Gdp.parm + Bond & inertia constant file : /users/czarek/UNRES/GIT/unres/PARAM/bond.parm + Bending parameter file : + /users/czarek/UNRES/GIT/unres/PARAM/thetaml.5parm + Rotamer parameter file : + /users/czarek/UNRES/GIT/unres/PARAM/scgauss.parm + Threading database : + /users/czarek/UNRES/GIT/unres/PARAM/patterns.cart +-------------------------------------------------------------------------------- + time after openunits 8.723999999347143E-003 + ### LAST MODIFIED 6/23/05 7:29PM by czarek + ++++ Compile info ++++ + Version 2.2 build 2853 + compiled Wed Mar 28 23:45:50 2007 + compiled by mchinchio@matrix + OS name: Linux + OS release: 2.4.20-28.7smp + OS version: #1 SMP Thu Dec 18 11:18:31 EST 2003 + flags: + FC = mpif90 + UNRES_BIN = ${HOME}/UNRES/NEW/bin/unres_REMD_in... + OPT = -O3 -w -pc64 -tpp6 -ip + FFLAGS = -c ${OPT} + FFLAGSE = -c -O3 -w -pc64 -tpp6 -ipo -ipo_obj -... + CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI -DPGI -DS... + LIBS = -Lxdrf -lxdrf + objectCSA = unres_CSA.o arcos.o cartprint.o cha... + ++++ End of compile info ++++ + ntortyp 3 + +Potential is GB , exponents are 6 12 + +Disulfide bridge parameters: +S-S bridge energy: -5.50 +d0cm: 3.78 akcm: 15.10 +akth: 11.00 akct: 12.00 +v1ss: -1.08 v2ss: 7.61 v3ss: 13.70 +Random seed: -1111333. -1111333 + MPI: node= 0 iseed(4)= 0 0 -16 + -62756 + ran_num 0.920179675082336 +RMSDBC = 3.0 +RMSDBC1 = 0.5 +RMSDBC1MAX = 1.5 +DRMS = 0.1 +RMSDBCM = 3.0 +Time limit (min): 60.0 + RESCALE_MODE 1 +Library routine used to diagonalize matrices. + +=========================== Parameters of the MD run =========================== + +The units are: +positions: angstrom, time: 48.9 fs +velocity: angstrom/(48.9 fs), acceleration: angstrom/(48.9 fs)**2 +energy: kcal/mol, temperature: K + + Number of time steps: 20000 + Initial time step of numerical integration: 0.10000 natural units + 4.89000 fs + Maximum acceleration threshold to scale down the time step: 5.00000 + Maximum predicted energy drift to reduce the timestep: 10.00000 + Maximum velocity threshold to reduce velocities: 20.00000 + Frequency of property output: 1000 + Frequency of coordinate output: 300 +Berendsen bath calculation + Temperature: 400.00000 + Coupling constant (tau): 1.00000 +Momenta will be reset at zero every 1000 steps + +============================== End of MD run setup ============================= + + +Energy-term weights (unscaled): + +WSCC= 1.000000 (SC-SC) +WSCP= 2.794050 (SC-p) +WELEC= 0.145810 (p-p electr) +WVDWPP= 0.145810 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.956840 (bending) +WSCLOC= 0.170100 (SC local) +WTOR= 2.046980 (torsional) +WTORD= 1.696240 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 1.218370 (multi-body 3-rd order) +WCORR4= 1.846150 (multi-body 4th order) +WCORR5= 0.027300 (multi-body 5th order) +WCORR6= 0.007410 (multi-body 6th order) +WTURN3= 2.913860 (turns, 3rd order) +WTURN4= 0.731780 (turns, 4th order) +WTURN6= 0.023910 (turns, 6th order) + +Hydrogen-bonding correlation between contact pairs of peptide groups + +Scaling factor of 1,4 SC-p interactions: 0.400 +General scaling factor of SC-p interactions: 1.000 + +Energy-term weights (scaled): + +WSCC= 1.000000 (SC-SC) +WSCP= 2.794050 (SC-p) +WELEC= 0.128028 (p-p electr) +WVDWPP= 0.145810 (p-p VDW) +WBOND= 1.000000 (stretching) +WANG= 1.956840 (bending) +WSCLOC= 0.170100 (SC local) +WTOR= 1.797348 (torsional) +WTORD= 1.494444 (double torsional) +WSTRAIN= 1.000000 (SS bridges & dist. cnstr.) +WEL_LOC= 1.073425 (multi-body 3-rd order) +WCORR4= 1.679647 (multi-body 4th order) +WCORR5= 0.025631 (multi-body 5th order) +WCORR6= 0.007123 (multi-body 6th order) +WTURN3= 2.567208 (turns, 3rd order) +WTURN4= 0.665781 (turns, 4th order) +WTURN6= 0.022982 (turns, 6th order) + Reference temperature for weights calculation: 300.000000000000 + Parameters of the SS-bond potential: + D0CM 3.78000000000000 AKCM 15.1000000000000 AKTH + 11.0000000000000 AKCT 12.0000000000000 + V1SS -1.08000000000000 V2SS 7.61000000000000 V3SS + 13.7000000000000 + EBR -3.50000000000000 SS_DEPTH -4.90133843152500 + HT -1.40133843152500 + ITEL + 1 10 1 + 2 9 1 + 3 9 1 + 4 9 1 + 5 1 1 + 6 9 1 + 7 9 1 + 8 9 1 + 9 9 1 + 10 9 1 + 11 9 1 + 12 9 1 + 13 9 1 + 14 1 1 + 15 9 1 + 16 9 1 + 17 9 1 + ns= 2 iss: 5 14 + nss= 0 ihpb,jhpb: +Boundaries in phi angle sampling: +GLY 1 -180.0 180.0 +ALA 2 -180.0 180.0 +ALA 3 -180.0 180.0 +ALA 4 -180.0 180.0 +CYS 5 -180.0 180.0 +ALA 6 -180.0 180.0 +ALA 7 -180.0 180.0 +ALA 8 -180.0 180.0 +ALA 9 -180.0 180.0 +ALA 10 -180.0 180.0 +ALA 11 -180.0 180.0 +ALA 12 -180.0 180.0 +ALA 13 -180.0 180.0 +CYS 14 -180.0 180.0 +ALA 15 -180.0 180.0 +ALA 16 -180.0 180.0 +ALA 17 -180.0 180.0 +GLY 18 -180.0 180.0 + NZ_START= 1 NZ_END= 18 + IZ_SC= 0 +Initial geometry will be read in. + +Geometry of the virtual chain. + Res d Theta Phi Dsc Alpha Omega +GLY 1 0.000 0.000 0.000 0.000 0.000 0.000 +ALA 2 3.800 0.000 0.000 0.743 131.239 -75.725 +ALA 3 3.800 94.222 0.000 0.743 132.313 -78.742 +ALA 4 3.800 126.490 -165.860 0.743 159.389 -84.704 +CYS 5 3.800 126.244 -83.777 1.237 133.758 -88.250 +ALA 6 3.800 93.779 -152.942 0.743 129.396 -78.021 +ALA 7 3.800 91.725 76.612 0.743 131.254 -77.909 +ALA 8 3.800 93.084 81.337 0.743 136.392 -105.856 +ALA 9 3.800 110.117 -98.088 0.743 139.402 -104.794 +ALA 10 3.800 106.661 88.380 0.743 166.703 -78.071 +ALA 11 3.800 125.158 83.555 0.743 127.223 -75.814 +ALA 12 3.800 92.065 175.242 0.743 143.680 -92.666 +ALA 13 3.800 121.336 81.849 0.743 167.362 -82.468 +CYS 14 3.800 124.257 -82.716 1.237 129.965 -104.400 +ALA 15 3.800 95.234 -174.358 0.743 144.535 -81.193 +ALA 16 3.800 130.505 87.291 0.743 164.523 -79.826 +ALA 17 3.800 128.136 -95.560 0.743 129.422 -76.023 +GLY 18 3.800 93.035 -166.188 0.000 0.000 0.000 + +The chain contains 2 disulfide-bridging cysteines. + 5 14 + Running with dynamic disulfide-bond formation +MD calculation. + +******************************************************************************** + + MODECALC 12 + Calling hpb_partition + Calling chainbuild + Calling MD + SSBOND_E_FORM 0.00 400.0 5 14 + SSBOND_E_FORM 0.00 400.0 5 14 + SSBOND_E_FORM 0.00 400.0 5 14 + SSBOND_E_FORM 0.00 400.0 5 14 + SSBOND_E_FORM 0.00 400.0 5 14 + SSBOND_E_FORM 0.00 400.0 5 14 + SSBOND_E_FORM 0.00 400.0 5 14 + SSBOND_E_FORM 0.00 400.0 5 14 + SSBOND_E_FORM 0.00 400.0 5 14 + 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