From: Cezary Czaplewski Date: Tue, 9 Dec 2014 12:38:08 +0000 (+0100) Subject: Merge branch 'prerelease-3.2.1' into czarek X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a Merge branch 'prerelease-3.2.1' into czarek Conflicts: bin/unres/MD/unres_ifort_MPICH_GAB.exe source/unres/src_MD/cinfo.f --- 2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a diff --cc examples/unres/MD/microcanonical/DYN_SS/outputs/small.out_GB000 index 0000000,5b4bf21..9904891 mode 000000,100644..100644 --- a/examples/unres/MD/microcanonical/DYN_SS/outputs/small.out_GB000 +++ b/examples/unres/MD/microcanonical/DYN_SS/outputs/small.out_GB000 @@@ -1,0 -1,427 +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 65 - compiled Fri Feb 15 13:06:59 2013 ++ Version 3.1 build 52 ++ compiled Sun Feb 17 00:55:22 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 ++ OPT = -O3 -ip + 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 ... ++ FFLAGS1 = -c -g -CA -CB -I$(INSTALL_DIR)/inclu... ++ FFLAGS2 = -c -g -O0 -I$(INSTALL_DIR)/include ++ FFLAGSE = -c -O3 -ipo -opt_report -I$(INSTALL... + LIBS = -L$(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= 1.352790D+00 (SC-SC) -EVDW2= 2.935543E+01 WEIGHT= 1.593040D+00 (SC-p) -EES= -5.873651E+01 WEIGHT= 7.153400D-01 (p-p) -EVDWPP= -2.078573E+01 WEIGHT= 1.137100D-01 (p-p VDW) -ESTR= 1.126963E+01 WEIGHT= 1.000000D+00 (stretching) -EBE= -2.163931E+01 WEIGHT= 1.138730D+00 (bending) -ESC= 8.185684E+01 WEIGHT= 1.625800D-01 (SC local) -ETORS= 1.409747E+01 WEIGHT= 1.985990D+00 (torsional) -ETORSD= 3.856076E-01 WEIGHT= 1.570690D+00 (double torsional) -EHPB= 0.000000E+00 WEIGHT= 1.000000D+00 (SS bridges & dist. cnstr.) -ECORR4= -3.806576E+01 WEIGHT= 4.288700D-01 (multi-body) -ECORR5= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -ECORR6= 0.000000E+00 WEIGHT= 0.000000D+00 (multi-body) -EELLO= 5.874355E+00 WEIGHT= 1.603600D-01 (electrostatic-local) -ETURN3= 1.472773E+01 WEIGHT= 1.687220D+00 (turns, 3rd order) -ETURN4= -3.305062E+00 WEIGHT= 6.623000D-01 (turns, 4th order) -ETURN6= 0.000000E+00 WEIGHT= 0.000000D+00 (turns, 6th order) -ESCCOR= 0.000000E+00 WEIGHT= 0.000000D+00 (backbone-rotamer corr) ++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 ++ MD calculations setup: 7.81250E-03 + Energy & gradient evaluation: 1.83398E+01 + Stochastic MD setup: 0.00000E+00 + Stochastic MD step setup: 0.00000E+00 - MD steps: 2.30547E+01 ++ MD steps: 2.24727E+01 + + + ============================ End of MD calculation =========================== + CG processor 0 is finishing work. - Total wall clock time 23.0898437500000 sec ++ Total wall clock time 22.5898437500000 sec diff --cc examples/unres/MD/microcanonical/DYN_SS/outputs/small_GB000.stat index 0000000,da57318..168cc5b mode 000000,100644..100644 --- a/examples/unres/MD/microcanonical/DYN_SS/outputs/small_GB000.stat +++ b/examples/unres/MD/microcanonical/DYN_SS/outputs/small_GB000.stat @@@ -1,0 -1,1002 +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 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10.982 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 -25.605 10.984 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 ++ 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 -27.306 10.770 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 -28.787 10.771 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 ++ 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 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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 -26.483 10.488 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 -25.256 10.489 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 -28.233 10.488 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 -27.083 10.490 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 -19.099 10.492 0.103 292.154 300.000 7.238 0 -43.197 38.113 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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 -29.131 10.488 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 -17.983 10.491 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 -23.564 10.491 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 -29.277 10.487 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 -34.010 10.442 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 -31.098 10.440 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 -22.767 10.442 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 -27.889 10.413 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 -24.283 10.411 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 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553.62 38.262 -27.848 10.414 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 -30.177 10.410 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 -31.631 10.411 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 -32.160 10.413 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 -25.667 10.416 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 -21.562 10.415 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 -26.325 10.411 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 -22.335 10.415 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 -28.486 10.412 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 -32.732 10.265 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 -27.883 10.272 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 -31.170 10.271 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 -32.280 10.267 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 -27.149 10.272 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 -25.797 10.272 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 -29.986 10.271 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 -30.206 10.275 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 ++ 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 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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 + 65800 657.56 29.486 -13.744 15.742 0.141 291.116 300.000 7.054 0 -42.813 37.163 -69.913 -19.424 61.474 13.079 -0.430 -50.853 0.000 0.000 9.150 14.113 3.089 0.000 0.000 0.000 0.000 17.228 -8.228 0.000 + 65900 658.56 34.199 -18.457 15.742 0.186 337.643 300.000 7.019 0 -44.001 39.092 -73.910 -21.621 65.724 13.214 -0.521 -53.502 0.000 0.000 8.708 14.669 2.915 0.000 0.000 0.000 0.000 15.304 -2.318 0.000 + 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 -25.956 10.242 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 -25.114 10.239 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 ++ 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 + 67000 669.54 37.098 -21.403 15.695 0.125 366.270 300.000 6.855 0 -42.926 33.091 -54.295 -20.225 64.214 11.797 0.182 -39.260 0.000 0.000 11.778 11.236 -0.034 0.000 0.000 0.000 0.000 11.172 -30.702 0.000 + 67100 670.54 39.700 -24.003 15.696 0.057 391.957 300.000 6.877 0 -44.073 31.871 -53.406 -20.749 61.258 11.861 0.070 -38.188 0.000 0.000 11.565 11.324 -0.203 0.000 0.000 0.000 0.000 11.913 -29.099 0.000 - 67200 671.54 36.051 -25.856 10.196 0.183 355.937 300.000 6.922 0 -42.430 30.979 -51.688 -20.706 72.702 11.627 -0.042 -37.263 0.000 0.000 12.505 10.777 0.536 0.000 0.000 0.000 0.000 12.367 -31.052 0.000 - 67300 672.54 33.888 -23.691 10.197 0.102 334.573 300.000 6.971 0 -41.203 30.461 -51.230 -20.323 79.392 11.425 0.103 -36.913 0.000 0.000 12.886 10.525 0.815 0.000 0.000 0.000 0.000 11.878 -29.536 0.000 - 67400 673.54 32.512 -22.315 10.197 0.090 320.990 300.000 7.027 0 -42.046 29.577 -50.731 -19.681 77.587 11.037 0.348 -36.259 0.000 0.000 12.992 10.327 0.714 0.000 0.000 0.000 0.000 15.177 -26.716 0.000 ++ 67200 671.54 36.051 -20.356 15.696 0.183 355.937 300.000 6.922 0 -42.430 30.979 -51.688 -20.706 72.702 11.627 -0.042 -37.263 0.000 0.000 12.505 10.777 0.536 0.000 0.000 0.000 0.000 12.367 -31.052 0.000 ++ 67300 672.54 33.888 -18.191 15.697 0.102 334.573 300.000 6.971 0 -41.203 30.461 -51.230 -20.323 79.392 11.425 0.103 -36.913 0.000 0.000 12.886 10.525 0.815 0.000 0.000 0.000 0.000 11.878 -29.536 0.000 ++ 67400 673.54 32.512 -16.815 15.697 0.090 320.990 300.000 7.027 0 -42.046 29.577 -50.731 -19.681 77.587 11.037 0.348 -36.259 0.000 0.000 12.992 10.327 0.714 0.000 0.000 0.000 0.000 15.177 -26.716 0.000 + 67500 674.54 33.282 -17.586 15.696 0.232 328.593 300.000 7.078 0 -41.193 29.634 -51.469 -17.401 78.909 10.478 0.366 -36.898 0.000 0.000 13.957 9.960 0.949 0.000 0.000 0.000 0.000 12.126 -23.050 0.000 + 67600 675.54 31.618 -15.920 15.698 0.081 312.164 300.000 7.103 0 -41.810 28.898 -49.467 -15.798 73.728 10.314 0.302 -35.899 0.000 0.000 14.892 9.446 1.805 0.000 0.000 0.000 0.000 13.560 -23.289 0.000 + 67700 676.54 34.720 -19.023 15.697 0.060 342.795 300.000 7.141 0 -42.315 28.234 -48.422 -17.477 77.146 10.489 0.264 -34.919 0.000 0.000 15.165 9.435 1.773 0.000 0.000 0.000 0.000 12.015 -22.615 0.000 + 67800 677.52 38.175 -22.480 15.695 1.056 376.905 300.000 7.182 0 -41.158 27.302 -45.572 -18.972 72.702 10.598 0.044 -33.101 0.000 0.000 15.282 9.089 1.893 0.000 0.000 0.000 0.000 9.113 -26.243 0.000 + 67900 678.52 34.211 -18.499 15.712 0.074 337.765 300.000 7.231 0 -40.840 26.965 -45.475 -19.511 67.888 10.801 0.135 -32.815 0.000 0.000 14.717 9.743 1.620 0.000 0.000 0.000 0.000 12.813 -24.366 0.000 + 68000 679.52 32.251 -16.540 15.711 0.093 318.414 300.000 7.300 0 -39.151 25.300 -42.969 -20.604 68.196 11.217 0.052 -30.474 0.000 0.000 13.313 10.253 1.145 0.000 0.000 0.000 0.000 12.515 -24.303 0.000 + 68100 680.52 32.939 -17.228 15.711 0.113 325.210 300.000 7.353 0 -38.594 23.590 -39.331 -20.853 50.818 11.551 0.051 -27.581 0.000 0.000 12.184 10.378 0.964 0.000 0.000 0.000 0.000 12.665 -25.855 0.000 + 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 + 68800 687.52 35.420 -19.709 15.711 0.096 349.700 300.000 7.438 0 -39.105 26.081 -44.325 -19.172 46.844 11.396 0.027 -32.027 0.000 0.000 12.403 10.191 1.351 0.000 0.000 0.000 0.000 11.475 -25.720 0.000 + 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 + 69500 694.52 32.592 -16.879 15.713 0.103 321.782 300.000 7.427 0 -39.479 28.442 -47.472 -22.356 65.929 12.419 -1.455 -34.402 0.000 0.000 11.468 11.209 0.506 0.000 0.000 0.000 0.000 14.386 -27.978 0.000 + 69600 695.52 34.444 -18.732 15.712 0.102 340.065 300.000 7.406 0 -40.909 31.423 -52.249 -23.352 69.532 12.701 -1.725 -37.532 0.000 0.000 12.065 11.815 -0.230 0.000 0.000 0.000 0.000 13.659 -22.708 0.000 + 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 -29.267 10.208 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 -26.118 10.213 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 ++ 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 -21.005 10.211 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 ++ 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 + 70200 701.52 35.185 -19.476 15.709 0.094 347.382 300.000 7.419 0 -40.280 30.854 -55.889 -21.324 81.045 13.400 -1.877 -40.308 0.000 0.000 10.609 13.137 -0.274 0.000 0.000 0.000 0.000 9.791 -25.535 0.000 + 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 -26.512 10.214 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 -19.841 10.218 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 ++ 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 -30.236 10.216 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 -26.753 10.215 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 -23.428 10.217 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 ++ 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 -18.681 10.219 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 -16.090 10.219 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 -26.079 10.214 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 -30.494 10.212 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 -22.320 10.217 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 -32.587 10.214 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 -29.000 10.216 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 -26.850 10.217 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 -30.576 10.187 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 -30.246 10.188 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 -27.103 10.190 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 -31.106 10.186 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 -20.982 10.188 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 -31.110 10.183 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 -33.748 10.185 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 -22.598 10.188 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 -27.233 10.183 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 -23.100 10.187 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 -24.284 10.187 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 -34.250 10.179 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 -28.906 10.183 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 -25.554 10.183 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 -25.406 10.181 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 -24.712 10.181 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 ++ 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 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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 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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 --cc examples/unres/MD/microcanonical/DYN_SS/outputs/small_MD000.pdb index 0000000,01f2611..3d26e9a mode 000000,100644..100644 --- a/examples/unres/MD/microcanonical/DYN_SS/outputs/small_MD000.pdb +++ b/examples/unres/MD/microcanonical/DYN_SS/outputs/small_MD000.pdb @@@ -1,0 -1,10820 +1,10820 @@@ + 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 -2.39409E+01 ++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 + 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 -2.87869E+01 ++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 + 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 -2.68128E+01 ++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 + 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 -2.76076E+01 ++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 + 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 -2.64835E+01 ++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 + ENDMDL -REMARK time 529.65 ENERGY -2.36499E+01 ++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 + ENDMDL -REMARK time 534.65 ENERGY -2.18306E+01 ++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 + ENDMDL -REMARK time 539.65 ENERGY -2.91310E+01 ++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 + ENDMDL -REMARK time 544.64 ENERGY -3.10983E+01 ++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 + ENDMDL -REMARK time 549.62 ENERGY -1.85015E+01 ++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 + ENDMDL -REMARK time 554.62 ENERGY -3.01767E+01 ++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 + ENDMDL -REMARK time 559.62 ENERGY -2.63250E+01 ++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 + ENDMDL -REMARK time 564.57 ENERGY -3.11699E+01 ++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 + ENDMDL -REMARK time 569.57 ENERGY -3.02057E+01 ++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 + 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 -3.48387E+01 ++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 + ENDMDL -REMARK time 634.56 ENERGY -2.12068E+01 ++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 + 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 -2.23196E+01 ++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 + ENDMDL -REMARK time 734.50 ENERGY -3.02457E+01 ++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 + ENDMDL -REMARK time 739.50 ENERGY -3.37480E+01 ++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 + ENDMDL -REMARK time 744.50 ENERGY -3.42503E+01 ++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 + 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 --cc source/unres/src_MD/cinfo.f index 0e2131d,0597d4e..2ac4166 --- a/source/unres/src_MD/cinfo.f +++ b/source/unres/src_MD/cinfo.f @@@ -1,24 -1,25 +1,35 @@@ C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C ++<<<<<<< HEAD +C 3 2 105 + subroutine cinfo + include 'COMMON.IOUNITS' + write(iout,*)'++++ Compile info ++++' + write(iout,*)'Version 3.2 build 105' + write(iout,*)'compiled Tue Feb 19 05:33:00 2013' + write(iout,*)'compiled by czarek@piasek3' ++======= + C 3 2 116 + subroutine cinfo + include 'COMMON.IOUNITS' + write(iout,*)'++++ Compile info ++++' + write(iout,*)'Version 3.2 build 116' + write(iout,*)'compiled Thu Nov 27 09:56:51 2014' + write(iout,*)'compiled by adam@mmka' ++>>>>>>> prerelease-3.2.1 write(iout,*)'OS name: Linux ' - write(iout,*)'OS release: 2.6.32-42-generic ' + write(iout,*)'OS release: 3.2.0-72-generic ' write(iout,*)'OS version:', - & ' #96-Ubuntu SMP Wed Aug 15 19:37:37 UTC 2012 ' + & ' #107-Ubuntu SMP Thu Nov 6 14:24:01 UTC 2014 ' write(iout,*)'flags:' - write(iout,*)'INSTALL_DIR = /users/software/mpich-1.2.7p1_int...' - write(iout,*)'FC= ifort' - write(iout,*)'OPT = -O3 -ip ' - write(iout,*)'FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include ' - write(iout,*)'FFLAGS1 = -c -g -CA -CB -I$(INSTALL_DIR)/inclu...' - write(iout,*)'FFLAGS2 = -c -g -O0 -I$(INSTALL_DIR)/include ' - write(iout,*)'FFLAGSE = -c -O3 -ipo -opt_report -I$(INSTALL...' - write(iout,*)'LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdr...' + write(iout,*)'INSTALL_DIR = /users/software/mpich2-1.0.7' + write(iout,*)'FC= gfortran' + write(iout,*)'OPT = -O' + write(iout,*)'FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include' + write(iout,*)'FFLAGS1 = -c -I$(INSTALL_DIR)/include' + write(iout,*)'FFLAGS2 = -c -O0 -I$(INSTALL_DIR)/include' + write(iout,*)'FFLAGS3 = -c -O -I$(INSTALL_DIR)/include' + write(iout,*)'FFLAGSE = -c -O3 -I$(INSTALL_DIR)/include' + write(iout,*)'LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpthread x...' write(iout,*)'ARCH = LINUX' write(iout,*)'PP = /lib/cpp -P' write(iout,*)'object = unres.o arcos.o cartprint.o chainbuild...'