-REMARK time 27.26 ENERGY -4.62540E+00
+REMARK time 20.84 ENERGY 3.80645E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 3.783 3.402 2.507 0.022
-ATOM 2 CA ALA 2 1.173 0.686 1.869 0.025
-ATOM 3 CB ALA 2 0.417 0.855 1.948 0.046
-ATOM 4 CA ALA 3 2.211 0.406 -1.795 0.006
-ATOM 5 CB ALA 3 1.837 1.011 -2.064 0.076
-ATOM 6 CA ALA 4 5.401 -1.419 -0.845 0.006
-ATOM 7 CB ALA 4 5.583 -0.913 -0.360 0.085
-ATOM 8 CA CYS 5 4.858 -5.135 -0.290 0.013
-ATOM 9 CB CYS 5 4.991 -5.649 -1.358 0.016
-ATOM 10 CA ALA 6 7.924 -6.669 1.269 0.046
-ATOM 11 CB ALA 6 7.872 -6.825 1.993 0.050
-ATOM 12 CA ALA 7 9.432 -9.939 0.093 0.042
-ATOM 13 CB ALA 7 9.256 -10.408 -0.483 0.028
-ATOM 14 CA ALA 8 12.939 -11.272 0.959 0.010
-ATOM 15 CB ALA 8 12.685 -11.360 1.685 0.117
-ATOM 16 CA ALA 9 15.825 -13.058 -0.767 0.056
-ATOM 17 CB ALA 9 16.254 -12.595 -0.357 0.170
-ATOM 18 CA ALA 10 16.599 -16.690 -1.752 0.029
-ATOM 19 CB ALA 10 16.094 -16.749 -2.290 0.237
-ATOM 20 CA ALA 11 19.559 -18.743 -0.544 0.041
-ATOM 21 CB ALA 11 19.092 -19.005 0.034 0.258
-ATOM 22 CA ALA 12 22.140 -21.347 -1.599 0.024
-ATOM 23 CB ALA 12 22.408 -21.665 -2.163 0.074
-ATOM 24 CA ALA 13 24.383 -23.779 0.310 0.027
-ATOM 25 CB ALA 13 23.870 -24.297 0.224 0.068
-ATOM 26 CA CYS 14 27.869 -25.268 -0.166 0.007
-ATOM 27 CB CYS 14 28.602 -25.255 -1.196 0.018
-ATOM 28 CA ALA 15 30.357 -27.754 1.305 0.024
-ATOM 29 CB ALA 15 30.034 -28.353 1.472 0.026
-ATOM 30 CA ALA 16 33.921 -28.356 0.089 0.031
-ATOM 31 CB ALA 16 34.504 -27.935 -0.096 0.020
-ATOM 32 CA ALA 17 35.426 -31.443 1.787 0.045
-ATOM 33 CB ALA 17 35.400 -31.590 2.480 0.028
-ATOM 34 CA GLY 18 35.299 -34.848 0.084 0.000
+ATOM 1 CA GLY 1 5.284 -4.248 -1.512 0.043
+ATOM 2 CA ALA 2 8.186 -6.045 0.028 0.046
+ATOM 3 CB ALA 2 8.115 -6.253 0.687 0.036
+ATOM 4 CA ALA 3 10.773 -8.116 -1.801 0.046
+ATOM 5 CB ALA 3 11.241 -7.773 -2.258 0.043
+ATOM 6 CA ALA 4 12.871 -11.176 -0.858 0.063
+ATOM 7 CB ALA 4 13.030 -11.861 -1.185 0.096
+ATOM 8 CA CYS 5 16.584 -11.162 -0.121 0.012
+ATOM 9 CB CYS 5 16.912 -12.304 0.099 0.066
+ATOM 10 CA ALA 6 16.645 -9.141 3.070 0.025
+ATOM 11 CB ALA 6 16.160 -8.665 2.879 0.062
+ATOM 12 CA ALA 7 15.663 -12.290 4.904 0.091
+ATOM 13 CB ALA 7 15.154 -12.268 5.470 0.190
+ATOM 14 CA ALA 8 16.641 -15.719 3.655 0.069
+ATOM 15 CB ALA 8 16.870 -15.863 4.344 0.124
+ATOM 16 CA ALA 9 13.900 -17.453 1.678 0.034
+ATOM 17 CB ALA 9 13.298 -17.762 2.037 0.116
+ATOM 18 CA ALA 10 14.130 -17.384 -2.152 0.034
+ATOM 19 CB ALA 10 14.483 -16.756 -2.356 0.055
+ATOM 20 CA ALA 11 14.222 -19.567 -5.295 0.040
+ATOM 21 CB ALA 11 13.747 -19.506 -5.868 0.269
+ATOM 22 CA ALA 12 18.020 -19.285 -5.569 0.037
+ATOM 23 CB ALA 12 18.647 -18.964 -5.858 0.166
+ATOM 24 CA ALA 13 19.903 -18.911 -2.282 0.008
+ATOM 25 CB ALA 13 20.253 -19.526 -2.036 0.016
+ATOM 26 CA CYS 14 20.682 -15.734 -0.354 0.022
+ATOM 27 CB CYS 14 19.650 -15.062 -0.315 0.046
+ATOM 28 CA ALA 15 22.519 -17.360 2.563 0.026
+ATOM 29 CB ALA 15 22.118 -17.404 3.188 0.012
+ATOM 30 CA ALA 16 25.128 -19.674 1.036 0.044
+ATOM 31 CB ALA 16 25.683 -19.346 0.653 0.067
+ATOM 32 CA ALA 17 25.416 -23.413 1.692 0.045
+ATOM 33 CB ALA 17 24.917 -23.971 1.697 0.128
+ATOM 34 CA GLY 18 28.582 -25.060 0.388 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 55.30 ENERGY 5.60835E+00
+REMARK time 44.44 ENERGY 1.69749E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 2.067 3.511 3.193 0.015
-ATOM 2 CA ALA 2 2.059 -0.312 2.979 0.026
-ATOM 3 CB ALA 2 1.496 -0.415 3.500 0.026
-ATOM 4 CA ALA 3 1.774 -0.237 -0.832 0.011
-ATOM 5 CB ALA 3 1.607 0.383 -1.198 0.043
-ATOM 6 CA ALA 4 5.538 -0.819 -1.122 0.019
-ATOM 7 CB ALA 4 6.076 -0.776 -0.676 0.156
-ATOM 8 CA CYS 5 6.463 -4.535 -1.222 0.019
-ATOM 9 CB CYS 5 6.752 -4.406 -2.377 0.021
-ATOM 10 CA ALA 6 9.145 -6.931 -0.130 0.002
-ATOM 11 CB ALA 6 9.629 -6.934 0.411 0.184
-ATOM 12 CA ALA 7 9.083 -10.606 -0.611 0.050
-ATOM 13 CB ALA 7 9.008 -11.193 -1.145 0.032
-ATOM 14 CA ALA 8 11.200 -13.688 0.149 0.017
-ATOM 15 CB ALA 8 10.720 -14.291 0.440 0.217
-ATOM 16 CA ALA 9 14.278 -15.429 -0.990 0.007
-ATOM 17 CB ALA 9 14.394 -14.971 -1.611 0.089
-ATOM 18 CA ALA 10 17.634 -15.599 0.850 0.033
-ATOM 19 CB ALA 10 17.744 -15.346 1.541 0.170
-ATOM 20 CA ALA 11 20.651 -17.320 -0.735 0.061
-ATOM 21 CB ALA 11 20.821 -16.840 -1.235 0.207
-ATOM 22 CA ALA 12 22.855 -19.966 0.766 0.014
-ATOM 23 CB ALA 12 22.200 -20.116 1.084 0.072
-ATOM 24 CA ALA 13 25.648 -22.000 -0.749 0.056
-ATOM 25 CB ALA 13 26.204 -21.525 -0.910 0.027
-ATOM 26 CA CYS 14 26.964 -25.588 -1.114 0.044
-ATOM 27 CB CYS 14 26.047 -26.320 -1.421 0.017
-ATOM 28 CA ALA 15 29.950 -27.241 0.549 0.030
-ATOM 29 CB ALA 15 29.954 -27.288 1.297 0.058
-ATOM 30 CA ALA 16 32.437 -29.587 -0.952 0.017
-ATOM 31 CB ALA 16 33.004 -29.702 -1.374 0.076
-ATOM 32 CA ALA 17 34.041 -31.548 1.840 0.007
-ATOM 33 CB ALA 17 33.797 -32.259 1.983 0.038
-ATOM 34 CA GLY 18 37.627 -32.139 2.915 0.000
+ATOM 1 CA GLY 1 7.646 -6.762 -3.956 0.055
+ATOM 2 CA ALA 2 10.157 -5.921 -1.235 0.014
+ATOM 3 CB ALA 2 9.713 -6.197 -0.671 0.108
+ATOM 4 CA ALA 3 13.875 -6.521 -0.963 0.013
+ATOM 5 CB ALA 3 14.106 -5.805 -0.895 0.035
+ATOM 6 CA ALA 4 14.641 -10.146 -0.238 0.023
+ATOM 7 CB ALA 4 14.411 -10.208 -0.970 0.129
+ATOM 8 CA CYS 5 17.996 -11.776 0.688 0.032
+ATOM 9 CB CYS 5 18.458 -12.660 -0.032 0.013
+ATOM 10 CA ALA 6 16.788 -12.779 4.162 0.009
+ATOM 11 CB ALA 6 16.246 -12.256 4.413 0.013
+ATOM 12 CA ALA 7 14.316 -15.653 3.740 0.002
+ATOM 13 CB ALA 7 13.851 -15.453 3.182 0.119
+ATOM 14 CA ALA 8 15.070 -19.378 3.169 0.077
+ATOM 15 CB ALA 8 15.472 -19.012 3.746 0.058
+ATOM 16 CA ALA 9 11.406 -20.235 2.709 0.022
+ATOM 17 CB ALA 9 10.949 -20.006 3.260 0.128
+ATOM 18 CA ALA 10 11.396 -18.547 -0.742 0.022
+ATOM 19 CB ALA 10 11.316 -17.875 -0.536 0.078
+ATOM 20 CA ALA 11 13.264 -19.404 -3.976 0.021
+ATOM 21 CB ALA 11 12.656 -19.725 -4.252 0.075
+ATOM 22 CA ALA 12 15.394 -16.172 -3.990 0.022
+ATOM 23 CB ALA 12 15.191 -15.478 -3.825 0.046
+ATOM 24 CA ALA 13 19.028 -17.268 -4.213 0.026
+ATOM 25 CB ALA 13 19.284 -17.509 -4.868 0.061
+ATOM 26 CA CYS 14 21.503 -14.625 -3.004 0.054
+ATOM 27 CB CYS 14 20.416 -14.329 -2.400 0.123
+ATOM 28 CA ALA 15 22.745 -16.420 0.130 0.053
+ATOM 29 CB ALA 15 22.133 -16.760 0.409 0.085
+ATOM 30 CA ALA 16 26.157 -17.695 1.164 0.009
+ATOM 31 CB ALA 16 26.519 -17.052 1.320 0.035
+ATOM 32 CA ALA 17 26.798 -21.192 2.553 0.072
+ATOM 33 CB ALA 17 27.182 -21.454 1.977 0.019
+ATOM 34 CA GLY 18 26.982 -22.487 6.103 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 81.55 ENERGY 1.74696E+01
+REMARK time 69.44 ENERGY 8.74204E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 4.330 0.341 4.739 0.008
-ATOM 2 CA ALA 2 2.420 -2.013 2.353 0.023
-ATOM 3 CB ALA 2 1.886 -2.430 2.433 0.127
-ATOM 4 CA ALA 3 2.749 0.564 -0.452 0.009
-ATOM 5 CB ALA 3 2.658 1.192 -0.633 0.011
-ATOM 6 CA ALA 4 5.626 -1.325 -1.964 0.017
-ATOM 7 CB ALA 4 6.323 -1.288 -1.987 0.037
-ATOM 8 CA CYS 5 6.224 -5.071 -1.270 0.047
-ATOM 9 CB CYS 5 6.049 -5.677 -2.287 0.000
-ATOM 10 CA ALA 6 9.138 -6.853 0.394 0.027
-ATOM 11 CB ALA 6 8.920 -7.222 0.925 0.042
-ATOM 12 CA ALA 7 11.571 -9.463 -0.800 0.038
-ATOM 13 CB ALA 7 12.341 -9.584 -0.799 0.005
-ATOM 14 CA ALA 8 11.257 -13.271 -0.677 0.022
-ATOM 15 CB ALA 8 10.638 -13.091 -1.026 0.093
-ATOM 16 CA ALA 9 14.237 -15.717 -0.389 0.039
-ATOM 17 CB ALA 9 14.747 -15.796 -0.863 0.092
-ATOM 18 CA ALA 10 17.577 -15.816 1.598 0.007
-ATOM 19 CB ALA 10 17.035 -16.127 2.044 0.048
-ATOM 20 CA ALA 11 19.307 -18.745 -0.066 0.040
-ATOM 21 CB ALA 11 19.073 -19.513 -0.108 0.031
-ATOM 22 CA ALA 12 23.040 -19.407 -0.213 0.026
-ATOM 23 CB ALA 12 23.492 -19.848 0.300 0.152
-ATOM 24 CA ALA 13 25.095 -21.706 -2.408 0.011
-ATOM 25 CB ALA 13 25.054 -21.025 -2.714 0.055
-ATOM 26 CA CYS 14 26.912 -24.659 -0.964 0.022
-ATOM 27 CB CYS 14 26.490 -25.737 -1.421 0.007
-ATOM 28 CA ALA 15 30.100 -24.678 1.197 0.071
-ATOM 29 CB ALA 15 30.543 -24.651 1.840 0.104
-ATOM 30 CA ALA 16 32.225 -27.812 0.708 0.062
-ATOM 31 CB ALA 16 32.923 -28.145 0.303 0.162
-ATOM 32 CA ALA 17 32.579 -31.435 1.844 0.040
-ATOM 33 CB ALA 17 31.826 -31.412 1.830 0.014
-ATOM 34 CA GLY 18 34.754 -34.508 1.401 0.000
+ATOM 1 CA GLY 1 13.639 -0.973 -3.698 0.057
+ATOM 2 CA ALA 2 13.623 -4.641 -2.599 0.026
+ATOM 3 CB ALA 2 12.927 -4.809 -2.377 0.104
+ATOM 4 CA ALA 3 15.673 -7.884 -2.333 0.033
+ATOM 5 CB ALA 3 16.397 -8.082 -2.494 0.021
+ATOM 6 CA ALA 4 14.308 -9.455 0.827 0.026
+ATOM 7 CB ALA 4 13.643 -9.239 0.483 0.016
+ATOM 8 CA CYS 5 15.735 -12.700 2.082 0.023
+ATOM 9 CB CYS 5 16.327 -12.953 0.945 0.064
+ATOM 10 CA ALA 6 16.347 -13.989 5.618 0.008
+ATOM 11 CB ALA 6 16.582 -13.551 6.198 0.072
+ATOM 12 CA ALA 7 14.008 -16.956 5.205 0.061
+ATOM 13 CB ALA 7 13.482 -16.975 5.675 0.069
+ATOM 14 CA ALA 8 14.934 -18.644 1.853 0.029
+ATOM 15 CB ALA 8 15.595 -18.919 1.588 0.083
+ATOM 16 CA ALA 9 12.117 -21.216 1.701 0.064
+ATOM 17 CB ALA 9 11.603 -21.137 2.186 0.066
+ATOM 18 CA ALA 10 10.368 -21.182 -1.687 0.063
+ATOM 19 CB ALA 10 9.990 -20.581 -2.096 0.035
+ATOM 20 CA ALA 11 13.837 -20.942 -3.123 0.013
+ATOM 21 CB ALA 11 14.301 -21.334 -3.548 0.013
+ATOM 22 CA ALA 12 15.465 -17.464 -3.233 0.010
+ATOM 23 CB ALA 12 15.386 -17.124 -2.628 0.111
+ATOM 24 CA ALA 13 18.623 -15.804 -4.618 0.002
+ATOM 25 CB ALA 13 18.611 -15.155 -4.998 0.036
+ATOM 26 CA CYS 14 20.051 -15.036 -1.104 0.064
+ATOM 27 CB CYS 14 19.251 -14.195 -0.697 0.005
+ATOM 28 CA ALA 15 20.701 -18.696 -0.072 0.063
+ATOM 29 CB ALA 15 20.410 -19.365 -0.368 0.027
+ATOM 30 CA ALA 16 24.551 -18.489 -0.116 0.018
+ATOM 31 CB ALA 16 24.685 -18.624 -0.801 0.007
+ATOM 32 CA ALA 17 26.604 -16.849 2.623 0.131
+ATOM 33 CB ALA 17 26.852 -17.146 3.241 0.108
+ATOM 34 CA GLY 18 29.682 -14.765 1.852 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 110.38 ENERGY -5.31514E+00
+REMARK time 91.29 ENERGY -1.68409E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 1.991 2.429 3.209 0.010
-ATOM 2 CA ALA 2 3.217 -1.044 3.939 0.001
-ATOM 3 CB ALA 2 2.951 -1.572 4.393 0.016
-ATOM 4 CA ALA 3 2.319 -2.110 0.354 0.045
-ATOM 5 CB ALA 3 1.837 -1.769 -0.065 0.044
-ATOM 6 CA ALA 4 5.879 -1.396 -0.816 0.004
-ATOM 7 CB ALA 4 6.484 -0.913 -0.492 0.093
-ATOM 8 CA CYS 5 7.582 -4.645 -1.857 0.024
-ATOM 9 CB CYS 5 7.199 -4.839 -2.990 0.036
-ATOM 10 CA ALA 6 10.261 -6.808 -0.187 0.042
-ATOM 11 CB ALA 6 10.044 -7.085 0.468 0.025
-ATOM 12 CA ALA 7 11.154 -10.291 -1.588 0.032
-ATOM 13 CB ALA 7 11.342 -10.698 -2.165 0.073
-ATOM 14 CA ALA 8 11.745 -13.471 0.411 0.033
-ATOM 15 CB ALA 8 11.150 -13.924 0.200 0.145
-ATOM 16 CA ALA 9 13.389 -16.672 -1.030 0.031
-ATOM 17 CB ALA 9 13.032 -16.816 -1.703 0.128
-ATOM 18 CA ALA 10 17.218 -16.235 -0.720 0.042
-ATOM 19 CB ALA 10 17.843 -16.102 -0.243 0.096
-ATOM 20 CA ALA 11 19.702 -18.763 -1.996 0.016
-ATOM 21 CB ALA 11 19.891 -18.797 -2.644 0.029
-ATOM 22 CA ALA 12 22.119 -19.733 0.722 0.007
-ATOM 23 CB ALA 12 21.975 -20.197 1.248 0.164
-ATOM 24 CA ALA 13 25.890 -20.175 0.307 0.021
-ATOM 25 CB ALA 13 26.424 -19.699 0.565 0.116
-ATOM 26 CA CYS 14 27.038 -23.716 -0.417 0.135
-ATOM 27 CB CYS 14 26.313 -24.147 -1.343 0.006
-ATOM 28 CA ALA 15 30.560 -25.069 -0.238 0.123
-ATOM 29 CB ALA 15 30.941 -24.557 0.229 0.074
-ATOM 30 CA ALA 16 31.026 -28.865 0.067 0.013
-ATOM 31 CB ALA 16 31.091 -29.430 -0.385 0.031
-ATOM 32 CA ALA 17 32.504 -30.969 2.887 0.016
-ATOM 33 CB ALA 17 32.369 -31.326 3.570 0.066
-ATOM 34 CA GLY 18 33.673 -34.428 1.692 0.000
+ATOM 1 CA GLY 1 17.208 -2.705 -5.657 0.001
+ATOM 2 CA ALA 2 18.123 -4.731 -2.609 0.027
+ATOM 3 CB ALA 2 18.778 -4.653 -2.264 0.273
+ATOM 4 CA ALA 3 15.347 -6.160 -0.497 0.055
+ATOM 5 CB ALA 3 14.694 -6.197 -0.855 0.189
+ATOM 6 CA ALA 4 16.007 -8.651 2.384 0.024
+ATOM 7 CB ALA 4 16.496 -8.483 2.985 0.026
+ATOM 8 CA CYS 5 14.500 -12.143 2.650 0.016
+ATOM 9 CB CYS 5 15.295 -12.874 1.978 0.024
+ATOM 10 CA ALA 6 14.309 -15.136 4.942 0.037
+ATOM 11 CB ALA 6 14.422 -15.106 5.628 0.099
+ATOM 12 CA ALA 7 11.212 -17.120 4.357 0.027
+ATOM 13 CB ALA 7 10.712 -16.687 4.618 0.274
+ATOM 14 CA ALA 8 12.627 -19.148 1.508 0.022
+ATOM 15 CB ALA 8 13.359 -19.311 1.739 0.102
+ATOM 16 CA ALA 9 11.282 -22.703 1.894 0.005
+ATOM 17 CB ALA 9 10.538 -22.614 1.945 0.080
+ATOM 18 CA ALA 10 11.639 -23.221 -1.878 0.019
+ATOM 19 CB ALA 10 11.034 -22.811 -1.834 0.051
+ATOM 20 CA ALA 11 15.268 -22.405 -2.829 0.033
+ATOM 21 CB ALA 11 16.049 -22.382 -3.014 0.003
+ATOM 22 CA ALA 12 15.944 -18.708 -2.549 0.021
+ATOM 23 CB ALA 12 15.659 -18.464 -1.930 0.113
+ATOM 24 CA ALA 13 18.922 -16.585 -3.486 0.001
+ATOM 25 CB ALA 13 18.913 -16.089 -4.054 0.003
+ATOM 26 CA CYS 14 19.423 -15.026 -0.035 0.011
+ATOM 27 CB CYS 14 18.342 -14.638 0.456 0.018
+ATOM 28 CA ALA 15 21.349 -18.155 0.970 0.005
+ATOM 29 CB ALA 15 21.149 -18.892 0.708 0.013
+ATOM 30 CA ALA 16 24.372 -16.990 -1.014 0.041
+ATOM 31 CB ALA 16 24.286 -16.758 -1.707 0.012
+ATOM 32 CA ALA 17 26.818 -14.036 -0.870 0.051
+ATOM 33 CB ALA 17 27.548 -14.076 -0.862 0.090
+ATOM 34 CA GLY 18 26.599 -10.869 -2.968 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 138.07 ENERGY 1.74066E+00
+REMARK time 115.46 ENERGY 2.34104E-02
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 4.922 1.828 4.757 0.006
-ATOM 2 CA ALA 2 2.919 -1.313 3.756 0.008
-ATOM 3 CB ALA 2 2.518 -1.413 4.380 0.042
-ATOM 4 CA ALA 3 2.091 0.178 0.367 0.035
-ATOM 5 CB ALA 3 2.281 0.854 0.012 0.067
-ATOM 6 CA ALA 4 5.205 -1.252 -1.304 0.075
-ATOM 7 CB ALA 4 5.888 -0.914 -1.266 0.165
-ATOM 8 CA CYS 5 5.706 -4.980 -1.468 0.003
-ATOM 9 CB CYS 5 5.148 -5.580 -2.329 0.050
-ATOM 10 CA ALA 6 8.560 -6.914 0.133 0.030
-ATOM 11 CB ALA 6 8.573 -6.910 0.923 0.036
-ATOM 12 CA ALA 7 9.677 -10.099 -1.611 0.002
-ATOM 13 CB ALA 7 9.772 -10.723 -2.005 0.019
-ATOM 14 CA ALA 8 12.147 -12.767 -0.499 0.026
-ATOM 15 CB ALA 8 11.821 -13.162 0.056 0.026
-ATOM 16 CA ALA 9 14.035 -15.913 -1.685 0.090
-ATOM 17 CB ALA 9 13.199 -15.955 -1.778 0.037
-ATOM 18 CA ALA 10 17.800 -15.450 -2.528 0.084
-ATOM 19 CB ALA 10 18.264 -14.908 -2.356 0.143
-ATOM 20 CA ALA 11 20.494 -18.217 -2.673 0.016
-ATOM 21 CB ALA 11 20.675 -18.055 -3.377 0.040
-ATOM 22 CA ALA 12 23.119 -19.637 -0.381 0.018
-ATOM 23 CB ALA 12 23.072 -20.102 0.270 0.223
-ATOM 24 CA ALA 13 26.610 -21.089 -0.459 0.020
-ATOM 25 CB ALA 13 27.302 -20.855 -0.587 0.018
-ATOM 26 CA CYS 14 26.818 -24.445 1.471 0.054
-ATOM 27 CB CYS 14 26.109 -25.401 1.030 0.065
-ATOM 28 CA ALA 15 29.925 -26.541 2.099 0.088
-ATOM 29 CB ALA 15 30.254 -26.594 2.795 0.021
-ATOM 30 CA ALA 16 30.880 -29.562 -0.056 0.008
-ATOM 31 CB ALA 16 31.307 -29.560 -0.583 0.037
-ATOM 32 CA ALA 17 33.352 -31.926 1.532 0.012
-ATOM 33 CB ALA 17 32.937 -32.548 1.216 0.024
-ATOM 34 CA GLY 18 36.846 -32.158 3.073 0.000
+ATOM 1 CA GLY 1 22.931 -4.261 -2.652 0.031
+ATOM 2 CA ALA 2 19.607 -5.729 -1.499 0.062
+ATOM 3 CB ALA 2 19.007 -6.110 -1.886 0.317
+ATOM 4 CA ALA 3 18.140 -6.977 1.705 0.015
+ATOM 5 CB ALA 3 17.708 -6.900 2.269 0.147
+ATOM 6 CA ALA 4 16.639 -10.322 2.595 0.025
+ATOM 7 CB ALA 4 16.031 -10.134 3.075 0.060
+ATOM 8 CA CYS 5 14.405 -13.243 1.432 0.033
+ATOM 9 CB CYS 5 15.266 -13.844 0.774 0.005
+ATOM 10 CA ALA 6 11.736 -14.201 3.970 0.060
+ATOM 11 CB ALA 6 11.242 -13.775 4.355 0.144
+ATOM 12 CA ALA 7 8.800 -16.569 3.501 0.005
+ATOM 13 CB ALA 7 8.501 -16.912 2.850 0.019
+ATOM 14 CA ALA 8 10.928 -19.426 2.162 0.006
+ATOM 15 CB ALA 8 11.443 -19.800 2.467 0.060
+ATOM 16 CA ALA 9 9.780 -23.005 2.032 0.003
+ATOM 17 CB ALA 9 9.166 -23.149 1.781 0.014
+ATOM 18 CA ALA 10 12.416 -23.804 -0.566 0.034
+ATOM 19 CB ALA 10 12.140 -23.533 -1.217 0.089
+ATOM 20 CA ALA 11 16.075 -23.030 -0.072 0.015
+ATOM 21 CB ALA 11 16.778 -23.172 -0.293 0.090
+ATOM 22 CA ALA 12 17.023 -19.351 -0.646 0.046
+ATOM 23 CB ALA 12 17.115 -18.819 -0.178 0.026
+ATOM 24 CA ALA 13 18.081 -17.699 -3.877 0.017
+ATOM 25 CB ALA 13 17.607 -17.960 -4.304 0.118
+ATOM 26 CA CYS 14 19.089 -14.574 -2.014 0.004
+ATOM 27 CB CYS 14 18.029 -14.686 -1.316 0.072
+ATOM 28 CA ALA 15 21.910 -16.275 -0.112 0.022
+ATOM 29 CB ALA 15 22.127 -16.990 -0.127 0.058
+ATOM 30 CA ALA 16 24.503 -14.374 -2.074 0.012
+ATOM 31 CB ALA 16 24.351 -14.490 -2.799 0.083
+ATOM 32 CA ALA 17 26.271 -10.960 -2.113 0.015
+ATOM 33 CB ALA 17 26.801 -10.978 -1.544 0.022
+ATOM 34 CA GLY 18 26.405 -9.137 -5.463 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 166.43 ENERGY -6.60429E+00
+REMARK time 143.57 ENERGY 5.75413E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 5.339 2.610 3.062 0.005
-ATOM 2 CA ALA 2 4.948 -1.076 4.033 0.007
-ATOM 3 CB ALA 2 5.090 -1.557 4.587 0.040
-ATOM 4 CA ALA 3 1.790 -1.547 2.082 0.015
-ATOM 5 CB ALA 3 1.218 -1.101 2.165 0.077
-ATOM 6 CA ALA 4 3.749 -2.293 -1.175 0.018
-ATOM 7 CB ALA 4 4.089 -1.837 -1.674 0.014
-ATOM 8 CA CYS 5 5.756 -5.459 -2.091 0.039
-ATOM 9 CB CYS 5 4.843 -6.269 -2.456 0.035
-ATOM 10 CA ALA 6 9.556 -6.081 -2.083 0.052
-ATOM 11 CB ALA 6 10.067 -5.784 -1.633 0.060
-ATOM 12 CA ALA 7 11.545 -9.227 -2.628 0.019
-ATOM 13 CB ALA 7 11.830 -9.774 -3.019 0.095
-ATOM 14 CA ALA 8 12.185 -11.856 0.064 0.039
-ATOM 15 CB ALA 8 11.641 -11.762 0.556 0.009
-ATOM 16 CA ALA 9 13.930 -15.053 -0.915 0.052
-ATOM 17 CB ALA 9 13.440 -15.361 -1.476 0.056
-ATOM 18 CA ALA 10 17.763 -15.143 -0.684 0.020
-ATOM 19 CB ALA 10 18.256 -15.234 -0.176 0.014
-ATOM 20 CA ALA 11 20.107 -17.660 -2.105 0.022
-ATOM 21 CB ALA 11 20.268 -17.600 -2.887 0.148
-ATOM 22 CA ALA 12 22.199 -20.033 0.035 0.036
-ATOM 23 CB ALA 12 22.041 -20.452 0.636 0.316
-ATOM 24 CA ALA 13 24.744 -22.662 -1.141 0.061
-ATOM 25 CB ALA 13 25.440 -22.604 -1.492 0.108
-ATOM 26 CA CYS 14 25.979 -25.869 0.549 0.006
-ATOM 27 CB CYS 14 25.569 -26.843 -0.240 0.027
-ATOM 28 CA ALA 15 29.520 -26.140 1.832 0.030
-ATOM 29 CB ALA 15 29.759 -26.339 2.469 0.081
-ATOM 30 CA ALA 16 32.438 -27.994 0.172 0.025
-ATOM 31 CB ALA 16 32.640 -27.383 -0.179 0.102
-ATOM 32 CA ALA 17 34.549 -30.510 2.120 0.026
-ATOM 33 CB ALA 17 35.088 -30.197 2.538 0.237
-ATOM 34 CA GLY 18 33.744 -34.053 3.286 0.000
+ATOM 1 CA GLY 1 23.372 -3.272 3.832 0.061
+ATOM 2 CA ALA 2 21.976 -6.134 1.799 0.026
+ATOM 3 CB ALA 2 22.412 -6.664 2.083 0.170
+ATOM 4 CA ALA 3 18.385 -7.450 1.813 0.026
+ATOM 5 CB ALA 3 18.389 -7.454 1.114 0.007
+ATOM 6 CA ALA 4 17.186 -10.747 3.326 0.051
+ATOM 7 CB ALA 4 16.963 -10.826 4.072 0.012
+ATOM 8 CA CYS 5 14.862 -12.735 1.148 0.010
+ATOM 9 CB CYS 5 15.590 -13.354 0.366 0.016
+ATOM 10 CA ALA 6 12.194 -15.106 2.211 0.011
+ATOM 11 CB ALA 6 11.831 -14.596 2.659 0.015
+ATOM 12 CA ALA 7 9.715 -16.138 -0.427 0.045
+ATOM 13 CB ALA 7 9.563 -15.967 -1.042 0.035
+ATOM 14 CA ALA 8 10.823 -19.746 -0.177 0.042
+ATOM 15 CB ALA 8 11.341 -19.465 -0.419 0.004
+ATOM 16 CA ALA 9 11.004 -21.214 3.401 0.035
+ATOM 17 CB ALA 9 10.285 -21.185 3.703 0.173
+ATOM 18 CA ALA 10 11.948 -24.745 2.300 0.004
+ATOM 19 CB ALA 10 11.163 -24.558 2.279 0.021
+ATOM 20 CA ALA 11 15.356 -23.454 1.214 0.007
+ATOM 21 CB ALA 11 15.994 -23.808 0.869 0.060
+ATOM 22 CA ALA 12 16.259 -20.218 -0.495 0.039
+ATOM 23 CB ALA 12 16.301 -19.599 -0.020 0.024
+ATOM 24 CA ALA 13 19.470 -19.354 -2.322 0.004
+ATOM 25 CB ALA 13 19.242 -19.430 -3.022 0.386
+ATOM 26 CA CYS 14 18.429 -15.620 -2.790 0.008
+ATOM 27 CB CYS 14 17.353 -15.708 -2.199 0.010
+ATOM 28 CA ALA 15 21.113 -14.560 -0.261 0.030
+ATOM 29 CB ALA 15 21.100 -14.945 0.400 0.021
+ATOM 30 CA ALA 16 23.310 -13.324 -3.066 0.003
+ATOM 31 CB ALA 16 23.255 -13.825 -3.646 0.066
+ATOM 32 CA ALA 17 24.254 -10.136 -4.774 0.047
+ATOM 33 CB ALA 17 24.876 -9.782 -4.536 0.031
+ATOM 34 CA GLY 18 23.353 -8.346 -7.996 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 189.11 ENERGY 6.50866E+00
+REMARK time 165.16 ENERGY -6.79988E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 3.162 3.006 2.516 0.002
-ATOM 2 CA ALA 2 5.601 -0.005 2.695 0.011
-ATOM 3 CB ALA 2 6.083 0.022 3.258 0.010
-ATOM 4 CA ALA 3 2.664 -2.359 2.343 0.026
-ATOM 5 CB ALA 3 2.081 -1.893 2.590 0.012
-ATOM 6 CA ALA 4 3.580 -3.158 -1.309 0.040
-ATOM 7 CB ALA 4 3.732 -2.564 -1.734 0.042
-ATOM 8 CA CYS 5 6.235 -5.827 -1.704 0.031
-ATOM 9 CB CYS 5 6.062 -6.901 -2.266 0.020
-ATOM 10 CA ALA 6 9.969 -5.285 -1.949 0.011
-ATOM 11 CB ALA 6 9.991 -4.748 -1.456 0.027
-ATOM 12 CA ALA 7 11.265 -8.859 -2.390 0.011
-ATOM 13 CB ALA 7 11.794 -9.103 -2.902 0.008
-ATOM 14 CA ALA 8 12.324 -11.173 0.294 0.012
-ATOM 15 CB ALA 8 11.732 -10.931 0.764 0.006
-ATOM 16 CA ALA 9 13.701 -14.638 -0.132 0.014
-ATOM 17 CB ALA 9 13.441 -14.702 -0.810 0.028
-ATOM 18 CA ALA 10 17.155 -16.209 0.499 0.019
-ATOM 19 CB ALA 10 17.343 -16.345 1.185 0.003
-ATOM 20 CA ALA 11 19.632 -18.175 -1.590 0.007
-ATOM 21 CB ALA 11 20.053 -17.527 -1.659 0.008
-ATOM 22 CA ALA 12 20.783 -21.748 -0.912 0.004
-ATOM 23 CB ALA 12 20.512 -22.356 -1.307 0.102
-ATOM 24 CA ALA 13 24.394 -22.675 0.146 0.015
-ATOM 25 CB ALA 13 24.761 -22.581 0.817 0.092
-ATOM 26 CA CYS 14 26.634 -25.489 -1.220 0.019
-ATOM 27 CB CYS 14 26.593 -25.310 -2.437 0.017
-ATOM 28 CA ALA 15 29.949 -26.059 0.557 0.260
-ATOM 29 CB ALA 15 30.571 -26.082 1.024 0.053
-ATOM 30 CA ALA 16 32.030 -29.233 -0.146 0.270
-ATOM 31 CB ALA 16 32.131 -29.579 -0.631 0.009
-ATOM 32 CA ALA 17 34.238 -29.735 2.924 0.175
-ATOM 33 CB ALA 17 33.838 -29.683 3.618 0.310
-ATOM 34 CA GLY 18 35.137 -32.636 5.270 0.000
+ATOM 1 CA GLY 1 22.138 -5.291 8.036 0.011
+ATOM 2 CA ALA 2 22.308 -7.503 5.014 0.018
+ATOM 3 CB ALA 2 22.319 -8.198 5.266 0.152
+ATOM 4 CA ALA 3 19.599 -7.363 2.348 0.037
+ATOM 5 CB ALA 3 19.503 -7.268 1.582 0.080
+ATOM 6 CA ALA 4 16.279 -9.282 2.172 0.029
+ATOM 7 CB ALA 4 16.134 -8.604 2.400 0.023
+ATOM 8 CA CYS 5 14.675 -11.823 -0.149 0.020
+ATOM 9 CB CYS 5 15.324 -12.894 -0.328 0.003
+ATOM 10 CA ALA 6 10.964 -12.487 -0.059 0.015
+ATOM 11 CB ALA 6 10.444 -11.962 -0.062 0.027
+ATOM 12 CA ALA 7 9.957 -16.078 -0.744 0.003
+ATOM 13 CB ALA 7 10.210 -15.903 -1.309 0.088
+ATOM 14 CA ALA 8 11.351 -18.613 1.647 0.030
+ATOM 15 CB ALA 8 11.655 -18.269 2.165 0.064
+ATOM 16 CA ALA 9 10.395 -22.015 3.099 0.028
+ATOM 17 CB ALA 9 10.022 -22.579 2.749 0.135
+ATOM 18 CA ALA 10 13.173 -23.747 1.278 0.021
+ATOM 19 CB ALA 10 13.478 -23.597 0.616 0.029
+ATOM 20 CA ALA 11 16.715 -23.249 2.668 0.106
+ATOM 21 CB ALA 11 17.259 -23.716 2.657 0.003
+ATOM 22 CA ALA 12 17.951 -19.917 1.322 0.059
+ATOM 23 CB ALA 12 18.324 -19.271 1.441 0.110
+ATOM 24 CA ALA 13 18.697 -19.991 -2.416 0.046
+ATOM 25 CB ALA 13 18.240 -20.257 -2.979 0.027
+ATOM 26 CA CYS 14 18.653 -16.234 -2.874 0.008
+ATOM 27 CB CYS 14 17.688 -15.693 -2.237 0.007
+ATOM 28 CA ALA 15 21.998 -15.663 -1.160 0.078
+ATOM 29 CB ALA 15 22.395 -16.180 -0.719 0.084
+ATOM 30 CA ALA 16 23.373 -13.963 -4.264 0.042
+ATOM 31 CB ALA 16 23.702 -14.236 -4.850 0.096
+ATOM 32 CA ALA 17 21.959 -10.864 -5.833 0.008
+ATOM 33 CB ALA 17 22.261 -10.159 -5.755 0.043
+ATOM 34 CA GLY 18 19.789 -10.906 -8.933 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 216.15 ENERGY 2.44285E+00
+REMARK time 187.02 ENERGY 8.36861E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 4.529 4.329 1.670 0.011
-ATOM 2 CA ALA 2 4.058 0.746 2.995 0.036
-ATOM 3 CB ALA 2 3.899 0.869 3.713 0.032
-ATOM 4 CA ALA 3 1.696 -0.075 0.126 0.010
-ATOM 5 CB ALA 3 1.145 0.456 -0.087 0.015
-ATOM 6 CA ALA 4 4.400 -1.900 -1.770 0.011
-ATOM 7 CB ALA 4 4.835 -1.261 -1.895 0.147
-ATOM 8 CA CYS 5 5.896 -5.273 -1.078 0.020
-ATOM 9 CB CYS 5 5.523 -6.014 -0.094 0.025
-ATOM 10 CA ALA 6 9.485 -6.561 -1.543 0.031
-ATOM 11 CB ALA 6 10.098 -6.258 -1.366 0.050
-ATOM 12 CA ALA 7 10.693 -10.147 -1.209 0.037
-ATOM 13 CB ALA 7 10.740 -10.426 -1.911 0.015
-ATOM 14 CA ALA 8 12.177 -12.566 1.307 0.015
-ATOM 15 CB ALA 8 11.617 -12.477 1.697 0.064
-ATOM 16 CA ALA 9 13.691 -15.945 0.573 0.033
-ATOM 17 CB ALA 9 13.328 -16.440 0.130 0.104
-ATOM 18 CA ALA 10 17.367 -16.817 0.389 0.050
-ATOM 19 CB ALA 10 17.601 -17.294 0.987 0.057
-ATOM 20 CA ALA 11 19.613 -18.214 -2.343 0.020
-ATOM 21 CB ALA 11 20.066 -17.992 -2.895 0.003
-ATOM 22 CA ALA 12 21.862 -21.124 -1.435 0.031
-ATOM 23 CB ALA 12 21.521 -21.675 -1.866 0.110
-ATOM 24 CA ALA 13 25.421 -22.161 -0.711 0.036
-ATOM 25 CB ALA 13 25.206 -22.288 0.105 0.105
-ATOM 26 CA CYS 14 26.827 -25.483 -1.745 0.009
-ATOM 27 CB CYS 14 27.483 -24.763 -2.500 0.044
-ATOM 28 CA ALA 15 30.295 -26.645 -0.788 0.076
-ATOM 29 CB ALA 15 30.080 -26.085 -0.273 0.153
-ATOM 30 CA ALA 16 31.228 -29.814 1.114 0.009
-ATOM 31 CB ALA 16 31.550 -30.487 0.856 0.052
-ATOM 32 CA ALA 17 33.628 -30.512 4.094 0.044
-ATOM 33 CB ALA 17 33.758 -30.824 4.695 0.015
-ATOM 34 CA GLY 18 37.451 -30.840 3.454 0.000
+ATOM 1 CA GLY 1 23.240 -5.811 6.848 0.015
+ATOM 2 CA ALA 2 20.811 -8.732 6.847 0.031
+ATOM 3 CB ALA 2 20.633 -9.110 7.420 0.033
+ATOM 4 CA ALA 3 19.091 -9.264 3.470 0.024
+ATOM 5 CB ALA 3 19.487 -9.312 2.876 0.080
+ATOM 6 CA ALA 4 15.323 -10.104 3.506 0.067
+ATOM 7 CB ALA 4 14.762 -9.867 3.869 0.044
+ATOM 8 CA CYS 5 14.600 -11.167 -0.081 0.012
+ATOM 9 CB CYS 5 15.519 -11.924 0.296 0.049
+ATOM 10 CA ALA 6 11.565 -13.055 -1.246 0.007
+ATOM 11 CB ALA 6 11.374 -12.986 -1.987 0.029
+ATOM 12 CA ALA 7 11.401 -16.880 -1.344 0.013
+ATOM 13 CB ALA 7 11.843 -17.377 -1.769 0.039
+ATOM 14 CA ALA 8 10.990 -17.978 2.344 0.025
+ATOM 15 CB ALA 8 10.578 -17.847 2.896 0.068
+ATOM 16 CA ALA 9 10.494 -21.645 1.258 0.006
+ATOM 17 CB ALA 9 10.184 -22.036 0.739 0.088
+ATOM 18 CA ALA 10 14.333 -22.348 1.250 0.017
+ATOM 19 CB ALA 10 14.668 -21.777 1.016 0.106
+ATOM 20 CA ALA 11 17.498 -22.280 3.170 0.009
+ATOM 21 CB ALA 11 17.964 -22.907 3.172 0.052
+ATOM 22 CA ALA 12 18.614 -18.819 2.010 0.032
+ATOM 23 CB ALA 12 19.052 -19.217 2.487 0.034
+ATOM 24 CA ALA 13 17.515 -18.262 -1.557 0.009
+ATOM 25 CB ALA 13 16.808 -18.083 -1.803 0.045
+ATOM 26 CA CYS 14 19.024 -14.629 -1.521 0.007
+ATOM 27 CB CYS 14 18.654 -13.708 -0.698 0.036
+ATOM 28 CA ALA 15 22.579 -15.606 -2.347 0.018
+ATOM 29 CB ALA 15 22.789 -16.156 -1.952 0.160
+ATOM 30 CA ALA 16 21.713 -15.761 -6.076 0.063
+ATOM 31 CB ALA 16 21.256 -15.781 -6.715 0.045
+ATOM 32 CA ALA 17 21.948 -12.302 -7.826 0.016
+ATOM 33 CB ALA 17 22.552 -11.966 -8.120 0.093
+ATOM 34 CA GLY 18 18.993 -11.917 -10.259 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 242.78 ENERGY 1.48483E+01
+REMARK time 213.61 ENERGY -4.46781E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 5.111 4.930 0.944 0.003
-ATOM 2 CA ALA 2 3.056 1.845 2.013 0.018
-ATOM 3 CB ALA 2 2.299 1.921 2.117 0.009
-ATOM 4 CA ALA 3 3.197 0.455 -1.636 0.015
-ATOM 5 CB ALA 3 3.158 1.016 -2.108 0.113
-ATOM 6 CA ALA 4 6.363 -1.564 -1.096 0.034
-ATOM 7 CB ALA 4 6.692 -0.948 -0.811 0.035
-ATOM 8 CA CYS 5 5.808 -5.276 -0.394 0.027
-ATOM 9 CB CYS 5 5.632 -6.111 -1.340 0.021
-ATOM 10 CA ALA 6 8.520 -7.734 0.595 0.045
-ATOM 11 CB ALA 6 8.816 -7.358 1.217 0.006
-ATOM 12 CA ALA 7 8.625 -11.516 0.640 0.010
-ATOM 13 CB ALA 7 8.381 -11.644 -0.099 0.059
-ATOM 14 CA ALA 8 11.653 -13.441 2.071 0.010
-ATOM 15 CB ALA 8 11.815 -13.486 2.827 0.025
-ATOM 16 CA ALA 9 13.621 -16.008 -0.084 0.030
-ATOM 17 CB ALA 9 13.476 -16.211 -0.859 0.046
-ATOM 18 CA ALA 10 17.206 -16.761 0.894 0.027
-ATOM 19 CB ALA 10 17.709 -17.166 1.149 0.065
-ATOM 20 CA ALA 11 19.746 -18.133 -1.673 0.013
-ATOM 21 CB ALA 11 20.056 -17.757 -2.167 0.048
-ATOM 22 CA ALA 12 22.249 -20.880 -1.033 0.003
-ATOM 23 CB ALA 12 22.345 -21.539 -0.805 0.047
-ATOM 24 CA ALA 13 24.556 -23.214 -2.966 0.023
-ATOM 25 CB ALA 13 25.062 -22.780 -3.214 0.066
-ATOM 26 CA CYS 14 27.091 -25.482 -1.134 0.037
-ATOM 27 CB CYS 14 27.595 -26.534 -1.609 0.023
-ATOM 28 CA ALA 15 30.761 -24.682 -0.536 0.027
-ATOM 29 CB ALA 15 30.936 -23.961 -0.330 0.181
-ATOM 30 CA ALA 16 33.051 -27.326 1.137 0.025
-ATOM 31 CB ALA 16 33.787 -27.202 1.126 0.013
-ATOM 32 CA ALA 17 32.879 -30.793 2.765 0.017
-ATOM 33 CB ALA 17 32.384 -31.314 2.965 0.054
-ATOM 34 CA GLY 18 35.287 -33.699 3.544 0.000
+ATOM 1 CA GLY 1 21.475 -6.969 10.951 0.003
+ATOM 2 CA ALA 2 21.293 -8.499 7.551 0.030
+ATOM 3 CB ALA 2 21.546 -9.188 7.368 0.032
+ATOM 4 CA ALA 3 18.484 -7.666 5.111 0.033
+ATOM 5 CB ALA 3 18.592 -7.237 4.496 0.064
+ATOM 6 CA ALA 4 15.735 -10.128 4.055 0.013
+ATOM 7 CB ALA 4 15.150 -9.958 4.532 0.045
+ATOM 8 CA CYS 5 14.371 -11.666 0.818 0.016
+ATOM 9 CB CYS 5 14.784 -12.730 0.246 0.028
+ATOM 10 CA ALA 6 10.924 -12.313 -0.700 0.006
+ATOM 11 CB ALA 6 10.754 -11.762 -1.155 0.034
+ATOM 12 CA ALA 7 11.431 -16.164 -0.650 0.010
+ATOM 13 CB ALA 7 11.985 -16.418 -1.041 0.124
+ATOM 14 CA ALA 8 12.359 -17.716 2.724 0.015
+ATOM 15 CB ALA 8 11.789 -17.718 3.186 0.043
+ATOM 16 CA ALA 9 11.000 -21.182 1.966 0.042
+ATOM 17 CB ALA 9 10.622 -21.344 1.327 0.128
+ATOM 18 CA ALA 10 14.245 -22.287 0.408 0.028
+ATOM 19 CB ALA 10 14.759 -22.033 0.033 0.013
+ATOM 20 CA ALA 11 17.602 -21.799 2.221 0.061
+ATOM 21 CB ALA 11 17.992 -22.420 2.392 0.070
+ATOM 22 CA ALA 12 18.644 -18.265 1.532 0.282
+ATOM 23 CB ALA 12 18.746 -18.841 1.165 0.107
+ATOM 24 CA ALA 13 18.369 -18.806 -2.260 0.081
+ATOM 25 CB ALA 13 17.723 -19.098 -2.518 0.078
+ATOM 26 CA CYS 14 18.020 -15.070 -2.822 0.028
+ATOM 27 CB CYS 14 16.929 -14.606 -2.332 0.027
+ATOM 28 CA ALA 15 21.785 -14.421 -2.195 0.018
+ATOM 29 CB ALA 15 22.289 -14.820 -1.763 0.002
+ATOM 30 CA ALA 16 22.506 -15.239 -5.853 0.007
+ATOM 31 CB ALA 16 22.526 -16.002 -5.914 0.051
+ATOM 32 CA ALA 17 22.284 -13.961 -9.428 0.052
+ATOM 33 CB ALA 17 22.831 -13.825 -9.933 0.045
+ATOM 34 CA GLY 18 20.322 -15.315 -12.352 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 272.39 ENERGY 1.78189E+00
+REMARK time 241.94 ENERGY 2.40700E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 5.490 4.352 0.412 0.009
-ATOM 2 CA ALA 2 3.623 1.128 1.531 0.003
-ATOM 3 CB ALA 2 3.133 1.523 1.853 0.017
-ATOM 4 CA ALA 3 2.934 0.226 -2.140 0.009
-ATOM 5 CB ALA 3 2.727 0.554 -2.794 0.209
-ATOM 6 CA ALA 4 6.134 -1.709 -2.661 0.024
-ATOM 7 CB ALA 4 6.705 -1.293 -2.856 0.080
-ATOM 8 CA CYS 5 6.363 -4.723 -0.323 0.064
-ATOM 9 CB CYS 5 5.183 -4.838 0.065 0.121
-ATOM 10 CA ALA 6 9.226 -7.274 -0.043 0.004
-ATOM 11 CB ALA 6 9.784 -7.151 0.349 0.026
-ATOM 12 CA ALA 7 9.702 -10.945 0.723 0.045
-ATOM 13 CB ALA 7 9.425 -11.215 0.074 0.021
-ATOM 14 CA ALA 8 12.214 -13.404 2.137 0.016
-ATOM 15 CB ALA 8 11.805 -13.299 2.703 0.030
-ATOM 16 CA ALA 9 14.641 -15.799 0.567 0.029
-ATOM 17 CB ALA 9 15.298 -15.647 0.750 0.023
-ATOM 18 CA ALA 10 15.003 -19.544 0.156 0.008
-ATOM 19 CB ALA 10 14.998 -20.008 -0.512 0.066
-ATOM 20 CA ALA 11 18.686 -20.373 -0.350 0.023
-ATOM 21 CB ALA 11 19.029 -19.974 -0.749 0.025
-ATOM 22 CA ALA 12 21.859 -22.043 1.004 0.049
-ATOM 23 CB ALA 12 21.422 -22.528 1.332 0.129
-ATOM 24 CA ALA 13 25.270 -20.629 -0.042 0.088
-ATOM 25 CB ALA 13 25.717 -20.090 0.273 0.039
-ATOM 26 CA CYS 14 27.093 -23.505 -1.860 0.063
-ATOM 27 CB CYS 14 27.954 -23.352 -2.658 0.061
-ATOM 28 CA ALA 15 29.173 -25.826 0.373 0.004
-ATOM 29 CB ALA 15 28.695 -26.125 0.823 0.177
-ATOM 30 CA ALA 16 32.381 -27.754 -0.122 0.051
-ATOM 31 CB ALA 16 32.991 -27.439 0.179 0.039
-ATOM 32 CA ALA 17 33.809 -31.230 0.522 0.015
-ATOM 33 CB ALA 17 33.808 -31.933 0.131 0.027
-ATOM 34 CA GLY 18 36.477 -32.131 3.163 0.000
+ATOM 1 CA GLY 1 22.384 -6.284 8.441 0.016
+ATOM 2 CA ALA 2 20.429 -9.529 7.894 0.033
+ATOM 3 CB ALA 2 20.114 -9.780 8.561 0.005
+ATOM 4 CA ALA 3 18.240 -8.698 4.910 0.017
+ATOM 5 CB ALA 3 18.484 -8.941 4.322 0.133
+ATOM 6 CA ALA 4 15.828 -11.302 3.588 0.002
+ATOM 7 CB ALA 4 15.575 -11.298 4.301 0.088
+ATOM 8 CA CYS 5 14.100 -11.966 0.265 0.006
+ATOM 9 CB CYS 5 14.908 -12.833 -0.060 0.051
+ATOM 10 CA ALA 6 10.556 -12.757 -0.751 0.026
+ATOM 11 CB ALA 6 10.104 -12.224 -1.080 0.043
+ATOM 12 CA ALA 7 11.589 -16.433 -1.544 0.001
+ATOM 13 CB ALA 7 12.118 -16.576 -1.983 0.164
+ATOM 14 CA ALA 8 13.283 -16.996 1.793 0.060
+ATOM 15 CB ALA 8 13.462 -16.347 2.008 0.027
+ATOM 16 CA ALA 9 10.900 -19.700 2.915 0.040
+ATOM 17 CB ALA 9 10.188 -19.717 2.897 0.064
+ATOM 18 CA ALA 10 13.056 -22.339 1.219 0.014
+ATOM 19 CB ALA 10 13.087 -22.043 0.569 0.032
+ATOM 20 CA ALA 11 16.663 -21.835 2.255 0.039
+ATOM 21 CB ALA 11 16.843 -22.563 2.298 0.008
+ATOM 22 CA ALA 12 19.056 -18.978 1.841 0.004
+ATOM 23 CB ALA 12 19.417 -19.105 2.388 0.148
+ATOM 24 CA ALA 13 19.610 -19.079 -2.047 0.005
+ATOM 25 CB ALA 13 19.502 -19.764 -2.376 0.113
+ATOM 26 CA CYS 14 18.634 -15.348 -2.452 0.038
+ATOM 27 CB CYS 14 17.587 -14.880 -1.906 0.033
+ATOM 28 CA ALA 15 22.347 -14.141 -2.371 0.014
+ATOM 29 CB ALA 15 23.078 -14.156 -2.277 0.019
+ATOM 30 CA ALA 16 22.773 -14.104 -6.181 0.072
+ATOM 31 CB ALA 16 22.961 -14.805 -6.385 0.095
+ATOM 32 CA ALA 17 20.456 -12.757 -8.938 0.012
+ATOM 33 CB ALA 17 20.881 -12.134 -8.926 0.027
+ATOM 34 CA GLY 18 21.143 -15.380 -11.627 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 296.64 ENERGY 5.88503E-01
+REMARK time 269.16 ENERGY -3.14884E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 3.974 4.748 -1.324 0.038
-ATOM 2 CA ALA 2 5.645 2.035 0.816 0.017
-ATOM 3 CB ALA 2 5.733 2.617 1.266 0.022
-ATOM 4 CA ALA 3 2.711 -0.189 0.390 0.075
-ATOM 5 CB ALA 3 2.174 0.048 -0.072 0.099
-ATOM 6 CA ALA 4 4.530 -2.525 -2.033 0.001
-ATOM 7 CB ALA 4 4.621 -1.767 -2.359 0.014
-ATOM 8 CA CYS 5 6.614 -5.521 -1.089 0.010
-ATOM 9 CB CYS 5 5.766 -6.294 -0.598 0.024
-ATOM 10 CA ALA 6 10.122 -6.913 -1.684 0.001
-ATOM 11 CB ALA 6 10.516 -6.533 -1.175 0.068
-ATOM 12 CA ALA 7 11.934 -10.268 -1.716 0.026
-ATOM 13 CB ALA 7 12.486 -10.323 -2.179 0.122
-ATOM 14 CA ALA 8 12.303 -13.103 0.843 0.037
-ATOM 15 CB ALA 8 11.716 -13.685 0.997 0.022
-ATOM 16 CA ALA 9 14.937 -15.572 1.886 0.017
-ATOM 17 CB ALA 9 15.180 -15.580 2.565 0.010
-ATOM 18 CA ALA 10 14.167 -19.187 1.129 0.020
-ATOM 19 CB ALA 10 13.885 -19.463 0.465 0.100
-ATOM 20 CA ALA 11 17.710 -19.956 -0.133 0.047
-ATOM 21 CB ALA 11 17.524 -19.280 -0.397 0.004
-ATOM 22 CA ALA 12 20.309 -22.562 0.653 0.001
-ATOM 23 CB ALA 12 20.547 -22.965 0.109 0.036
-ATOM 24 CA ALA 13 23.779 -22.937 2.133 0.010
-ATOM 25 CB ALA 13 23.564 -23.369 2.827 0.032
-ATOM 26 CA CYS 14 27.445 -23.048 0.952 0.018
-ATOM 27 CB CYS 14 27.786 -22.386 0.020 0.156
-ATOM 28 CA ALA 15 29.398 -26.257 1.412 0.034
-ATOM 29 CB ALA 15 29.606 -26.997 1.324 0.069
-ATOM 30 CA ALA 16 32.546 -27.268 -0.406 0.017
-ATOM 31 CB ALA 16 33.164 -26.887 -0.548 0.071
-ATOM 32 CA ALA 17 34.131 -30.691 -0.682 0.064
-ATOM 33 CB ALA 17 34.107 -31.326 -1.111 0.017
-ATOM 34 CA GLY 18 37.656 -30.338 -2.208 0.000
+ATOM 1 CA GLY 1 23.169 -6.582 7.579 0.007
+ATOM 2 CA ALA 2 20.567 -9.282 6.940 0.022
+ATOM 3 CB ALA 2 20.198 -9.728 7.338 0.032
+ATOM 4 CA ALA 3 19.078 -8.535 3.524 0.017
+ATOM 5 CB ALA 3 19.436 -7.911 3.334 0.087
+ATOM 6 CA ALA 4 15.864 -10.031 2.336 0.033
+ATOM 7 CB ALA 4 15.326 -9.559 2.537 0.070
+ATOM 8 CA CYS 5 14.823 -12.725 -0.093 0.052
+ATOM 9 CB CYS 5 15.664 -13.679 -0.235 0.005
+ATOM 10 CA ALA 6 11.260 -12.783 -1.364 0.029
+ATOM 11 CB ALA 6 10.840 -12.379 -1.818 0.054
+ATOM 12 CA ALA 7 11.525 -16.590 -1.669 0.012
+ATOM 13 CB ALA 7 12.036 -16.996 -2.029 0.103
+ATOM 14 CA ALA 8 12.570 -16.922 1.999 0.020
+ATOM 15 CB ALA 8 12.715 -16.386 2.514 0.060
+ATOM 16 CA ALA 9 10.483 -20.066 2.599 0.005
+ATOM 17 CB ALA 9 9.879 -20.210 2.274 0.073
+ATOM 18 CA ALA 10 13.289 -22.456 1.641 0.033
+ATOM 19 CB ALA 10 13.486 -22.161 0.935 0.034
+ATOM 20 CA ALA 11 16.457 -22.197 3.708 0.063
+ATOM 21 CB ALA 11 16.940 -22.767 3.809 0.009
+ATOM 22 CA ALA 12 18.297 -19.269 2.121 0.041
+ATOM 23 CB ALA 12 19.024 -19.214 2.220 0.048
+ATOM 24 CA ALA 13 19.902 -20.064 -1.244 0.058
+ATOM 25 CB ALA 13 19.758 -20.747 -1.560 0.097
+ATOM 26 CA CYS 14 18.523 -16.935 -2.948 0.002
+ATOM 27 CB CYS 14 17.635 -16.328 -2.314 0.029
+ATOM 28 CA ALA 15 21.605 -14.975 -2.000 0.092
+ATOM 29 CB ALA 15 22.115 -15.347 -1.706 0.009
+ATOM 30 CA ALA 16 22.402 -14.002 -5.654 0.045
+ATOM 31 CB ALA 16 22.036 -14.382 -6.184 0.145
+ATOM 32 CA ALA 17 20.640 -10.973 -7.151 0.020
+ATOM 33 CB ALA 17 21.158 -10.781 -6.760 0.050
+ATOM 34 CA GLY 18 19.993 -9.734 -10.686 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 324.53 ENERGY 8.60957E-01
+REMARK time 296.11 ENERGY -4.75646E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 6.118 4.402 -2.386 0.013
-ATOM 2 CA ALA 2 6.982 1.505 -0.096 0.007
-ATOM 3 CB ALA 2 7.395 1.288 0.445 0.009
-ATOM 4 CA ALA 3 3.263 0.617 0.352 0.003
-ATOM 5 CB ALA 3 2.782 0.730 -0.221 0.041
-ATOM 6 CA ALA 4 3.586 -2.644 -1.511 0.025
-ATOM 7 CB ALA 4 3.673 -2.372 -2.246 0.030
-ATOM 8 CA CYS 5 5.651 -5.611 -0.315 0.051
-ATOM 9 CB CYS 5 4.816 -6.410 0.019 0.037
-ATOM 10 CA ALA 6 9.383 -6.491 -0.898 0.095
-ATOM 11 CB ALA 6 9.912 -6.014 -0.447 0.070
-ATOM 12 CA ALA 7 11.289 -9.623 -1.857 0.042
-ATOM 13 CB ALA 7 12.090 -9.622 -2.152 0.495
-ATOM 14 CA ALA 8 13.157 -12.536 -0.139 0.016
-ATOM 15 CB ALA 8 12.537 -12.775 0.110 0.110
-ATOM 16 CA ALA 9 15.267 -15.372 -1.318 0.022
-ATOM 17 CB ALA 9 16.022 -15.345 -1.418 0.013
-ATOM 18 CA ALA 10 16.912 -17.775 1.095 0.026
-ATOM 19 CB ALA 10 16.395 -18.135 1.576 0.003
-ATOM 20 CA ALA 11 18.053 -21.300 0.320 0.014
-ATOM 21 CB ALA 11 18.495 -21.086 -0.083 0.090
-ATOM 22 CA ALA 12 19.736 -24.114 2.321 0.016
-ATOM 23 CB ALA 12 19.674 -24.877 2.241 0.121
-ATOM 24 CA ALA 13 23.315 -24.787 3.338 0.097
-ATOM 25 CB ALA 13 23.197 -24.949 4.034 0.087
-ATOM 26 CA CYS 14 26.189 -26.424 1.525 0.069
-ATOM 27 CB CYS 14 26.616 -25.958 0.489 0.050
-ATOM 28 CA ALA 15 29.810 -27.085 2.545 0.032
-ATOM 29 CB ALA 15 29.791 -27.824 2.725 0.093
-ATOM 30 CA ALA 16 32.535 -25.103 0.708 0.022
-ATOM 31 CB ALA 16 32.742 -24.776 1.338 0.012
-ATOM 32 CA ALA 17 33.404 -26.287 -2.818 0.045
-ATOM 33 CB ALA 17 33.375 -25.688 -3.257 0.122
-ATOM 34 CA GLY 18 36.165 -28.200 -4.631 0.000
+ATOM 1 CA GLY 1 24.811 -6.376 5.394 0.032
+ATOM 2 CA ALA 2 21.887 -8.522 4.140 0.021
+ATOM 3 CB ALA 2 21.390 -8.940 4.473 0.011
+ATOM 4 CA ALA 3 19.064 -7.920 1.532 0.006
+ATOM 5 CB ALA 3 19.520 -7.554 1.078 0.011
+ATOM 6 CA ALA 4 15.634 -9.501 1.807 0.016
+ATOM 7 CB ALA 4 15.672 -8.766 2.159 0.035
+ATOM 8 CA CYS 5 14.303 -12.612 -0.002 0.079
+ATOM 9 CB CYS 5 15.064 -13.574 -0.064 0.012
+ATOM 10 CA ALA 6 10.733 -13.539 -0.646 0.028
+ATOM 11 CB ALA 6 10.136 -13.356 -0.996 0.134
+ATOM 12 CA ALA 7 11.280 -17.190 -1.414 0.070
+ATOM 13 CB ALA 7 11.901 -17.107 -1.876 0.068
+ATOM 14 CA ALA 8 12.103 -18.058 2.229 0.012
+ATOM 15 CB ALA 8 12.106 -17.394 2.615 0.002
+ATOM 16 CA ALA 9 10.236 -21.384 1.836 0.101
+ATOM 17 CB ALA 9 9.618 -21.317 1.456 0.037
+ATOM 18 CA ALA 10 13.641 -23.034 1.226 0.011
+ATOM 19 CB ALA 10 13.932 -22.984 0.466 0.127
+ATOM 20 CA ALA 11 16.681 -22.545 3.460 0.015
+ATOM 21 CB ALA 11 17.226 -22.949 3.716 0.013
+ATOM 22 CA ALA 12 17.498 -19.271 1.653 0.032
+ATOM 23 CB ALA 12 17.705 -18.694 2.052 0.060
+ATOM 24 CA ALA 13 17.975 -19.609 -2.155 0.061
+ATOM 25 CB ALA 13 17.429 -20.098 -2.146 0.064
+ATOM 26 CA CYS 14 18.659 -15.866 -2.510 0.041
+ATOM 27 CB CYS 14 18.028 -15.411 -1.527 0.041
+ATOM 28 CA ALA 15 22.248 -15.839 -1.230 0.027
+ATOM 29 CB ALA 15 22.291 -16.598 -1.231 0.056
+ATOM 30 CA ALA 16 23.385 -13.549 -4.056 0.009
+ATOM 31 CB ALA 16 23.292 -13.878 -4.769 0.103
+ATOM 32 CA ALA 17 21.090 -10.574 -4.197 0.014
+ATOM 33 CB ALA 17 21.480 -10.501 -3.568 0.023
+ATOM 34 CA GLY 18 20.729 -8.942 -7.627 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 346.57 ENERGY -1.93229E+00
+REMARK time 322.38 ENERGY -8.18206E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 6.226 4.446 -2.574 0.005
-ATOM 2 CA ALA 2 7.462 2.226 0.273 0.035
-ATOM 3 CB ALA 2 7.890 2.663 0.600 0.023
-ATOM 4 CA ALA 3 4.037 0.534 0.755 0.018
-ATOM 5 CB ALA 3 3.356 0.680 0.478 0.054
-ATOM 6 CA ALA 4 4.830 -2.410 -1.500 0.002
-ATOM 7 CB ALA 4 4.770 -2.472 -2.188 0.110
-ATOM 8 CA CYS 5 7.384 -5.235 -1.116 0.011
-ATOM 9 CB CYS 5 7.320 -5.471 0.169 0.035
-ATOM 10 CA ALA 6 8.173 -8.618 -2.775 0.019
-ATOM 11 CB ALA 6 8.781 -8.935 -2.975 0.034
-ATOM 12 CA ALA 7 8.868 -12.045 -1.267 0.040
-ATOM 13 CB ALA 7 8.088 -12.410 -1.324 0.228
-ATOM 14 CA ALA 8 12.513 -13.086 -1.165 0.007
-ATOM 15 CB ALA 8 12.935 -12.645 -0.924 0.144
-ATOM 16 CA ALA 9 14.146 -16.275 0.098 0.028
-ATOM 17 CB ALA 9 14.356 -16.925 -0.129 0.038
-ATOM 18 CA ALA 10 17.404 -16.816 1.999 0.040
-ATOM 19 CB ALA 10 17.298 -17.091 2.672 0.043
-ATOM 20 CA ALA 11 19.656 -19.835 1.683 0.027
-ATOM 21 CB ALA 11 20.109 -19.408 2.088 0.036
-ATOM 22 CA ALA 12 19.584 -23.621 2.069 0.033
-ATOM 23 CB ALA 12 19.037 -23.508 1.566 0.051
-ATOM 24 CA ALA 13 22.781 -25.359 3.173 0.051
-ATOM 25 CB ALA 13 22.602 -25.868 3.583 0.022
-ATOM 26 CA CYS 14 25.627 -25.903 0.730 0.008
-ATOM 27 CB CYS 14 25.829 -24.709 0.752 0.057
-ATOM 28 CA ALA 15 28.930 -27.655 0.968 0.036
-ATOM 29 CB ALA 15 29.113 -28.228 0.487 0.015
-ATOM 30 CA ALA 16 32.498 -26.359 0.628 0.020
-ATOM 31 CB ALA 16 32.520 -26.765 1.227 0.104
-ATOM 32 CA ALA 17 34.500 -26.245 -2.568 0.021
-ATOM 33 CB ALA 17 34.054 -26.475 -3.071 0.023
-ATOM 34 CA GLY 18 35.872 -22.744 -3.161 0.000
+ATOM 1 CA GLY 1 24.346 -4.808 2.098 0.017
+ATOM 2 CA ALA 2 22.190 -7.875 1.864 0.138
+ATOM 3 CB ALA 2 22.057 -8.531 2.209 0.084
+ATOM 4 CA ALA 3 18.529 -8.287 0.814 0.030
+ATOM 5 CB ALA 3 18.132 -8.051 0.143 0.124
+ATOM 6 CA ALA 4 15.493 -10.147 1.974 0.010
+ATOM 7 CB ALA 4 15.163 -9.527 2.381 0.072
+ATOM 8 CA CYS 5 13.430 -13.041 0.642 0.017
+ATOM 9 CB CYS 5 14.309 -13.966 0.570 0.086
+ATOM 10 CA ALA 6 9.670 -13.561 0.390 0.030
+ATOM 11 CB ALA 6 9.343 -13.208 -0.205 0.035
+ATOM 12 CA ALA 7 10.108 -17.141 -0.938 0.003
+ATOM 13 CB ALA 7 10.289 -17.211 -1.677 0.137
+ATOM 14 CA ALA 8 11.585 -18.459 2.291 0.036
+ATOM 15 CB ALA 8 11.476 -17.860 2.705 0.029
+ATOM 16 CA ALA 9 10.303 -22.022 2.865 0.012
+ATOM 17 CB ALA 9 9.738 -22.423 2.563 0.025
+ATOM 18 CA ALA 10 13.043 -23.446 0.454 0.002
+ATOM 19 CB ALA 10 13.217 -23.209 -0.144 0.118
+ATOM 20 CA ALA 11 16.739 -23.446 1.384 0.047
+ATOM 21 CB ALA 11 17.169 -24.042 1.204 0.038
+ATOM 22 CA ALA 12 17.712 -19.762 1.247 0.025
+ATOM 23 CB ALA 12 17.589 -19.505 1.952 0.198
+ATOM 24 CA ALA 13 18.264 -18.335 -2.180 0.041
+ATOM 25 CB ALA 13 17.674 -18.427 -2.637 0.040
+ATOM 26 CA CYS 14 18.657 -14.723 -0.944 0.029
+ATOM 27 CB CYS 14 17.730 -14.800 -0.076 0.055
+ATOM 28 CA ALA 15 22.346 -14.921 0.129 0.011
+ATOM 29 CB ALA 15 22.754 -15.476 0.481 0.042
+ATOM 30 CA ALA 16 23.749 -14.197 -3.342 0.023
+ATOM 31 CB ALA 16 23.486 -14.636 -3.830 0.022
+ATOM 32 CA ALA 17 24.721 -10.644 -4.376 0.019
+ATOM 33 CB ALA 17 25.368 -10.308 -4.434 0.008
+ATOM 34 CA GLY 18 22.991 -7.874 -6.381 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 370.62 ENERGY 1.04479E+01
+REMARK time 347.50 ENERGY -7.13349E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 9.138 4.822 -3.112 0.014
-ATOM 2 CA ALA 2 6.792 2.247 -1.608 0.021
-ATOM 3 CB ALA 2 6.552 1.878 -2.307 0.152
-ATOM 4 CA ALA 3 6.152 -0.128 1.260 0.011
-ATOM 5 CB ALA 3 5.900 -0.104 1.951 0.041
-ATOM 6 CA ALA 4 4.564 -2.693 -1.133 0.090
-ATOM 7 CB ALA 4 3.877 -2.742 -1.441 0.089
-ATOM 8 CA CYS 5 7.636 -4.827 -1.826 0.028
-ATOM 9 CB CYS 5 8.668 -4.850 -1.108 0.042
-ATOM 10 CA ALA 6 7.525 -8.633 -1.722 0.025
-ATOM 11 CB ALA 6 7.946 -9.044 -2.294 0.036
-ATOM 12 CA ALA 7 9.062 -11.386 0.371 0.012
-ATOM 13 CB ALA 7 8.452 -11.805 0.510 0.134
-ATOM 14 CA ALA 8 11.981 -14.018 0.227 0.063
-ATOM 15 CB ALA 8 12.418 -13.946 0.839 0.049
-ATOM 16 CA ALA 9 12.571 -17.662 -0.340 0.051
-ATOM 17 CB ALA 9 12.763 -17.341 -1.074 0.027
-ATOM 18 CA ALA 10 14.345 -19.647 2.390 0.043
-ATOM 19 CB ALA 10 13.908 -20.148 2.444 0.033
-ATOM 20 CA ALA 11 18.008 -19.912 3.250 0.017
-ATOM 21 CB ALA 11 18.732 -19.603 3.490 0.095
-ATOM 22 CA ALA 12 20.336 -22.760 2.405 0.004
-ATOM 23 CB ALA 12 19.891 -23.231 2.056 0.015
-ATOM 24 CA ALA 13 24.042 -22.705 1.744 0.027
-ATOM 25 CB ALA 13 24.131 -22.624 2.410 0.037
-ATOM 26 CA CYS 14 26.258 -24.320 -0.821 0.035
-ATOM 27 CB CYS 14 26.400 -23.133 -1.314 0.090
-ATOM 28 CA ALA 15 28.723 -27.132 -0.274 0.026
-ATOM 29 CB ALA 15 28.874 -27.778 -0.669 0.070
-ATOM 30 CA ALA 16 32.182 -26.479 1.178 0.016
-ATOM 31 CB ALA 16 32.166 -26.863 1.803 0.063
-ATOM 32 CA ALA 17 35.002 -27.024 -1.418 0.032
-ATOM 33 CB ALA 17 35.251 -27.333 -2.065 0.003
-ATOM 34 CA GLY 18 36.857 -23.719 -1.933 0.000
+ATOM 1 CA GLY 1 23.314 -3.050 3.172 0.072
+ATOM 2 CA ALA 2 21.201 -5.292 0.855 0.013
+ATOM 3 CB ALA 2 21.231 -6.163 0.974 0.013
+ATOM 4 CA ALA 3 17.493 -5.725 1.675 0.011
+ATOM 5 CB ALA 3 17.548 -5.699 0.979 0.027
+ATOM 6 CA ALA 4 15.621 -8.946 2.404 0.006
+ATOM 7 CB ALA 4 15.089 -9.004 2.972 0.091
+ATOM 8 CA CYS 5 13.775 -11.807 0.610 0.006
+ATOM 9 CB CYS 5 14.813 -12.443 0.456 0.010
+ATOM 10 CA ALA 6 11.451 -14.344 2.018 0.006
+ATOM 11 CB ALA 6 10.826 -14.071 2.285 0.087
+ATOM 12 CA ALA 7 9.296 -16.939 0.144 0.011
+ATOM 13 CB ALA 7 9.242 -16.964 -0.545 0.075
+ATOM 14 CA ALA 8 11.791 -19.676 1.090 0.028
+ATOM 15 CB ALA 8 12.326 -19.277 1.099 0.019
+ATOM 16 CA ALA 9 11.091 -23.004 2.823 0.011
+ATOM 17 CB ALA 9 10.635 -23.565 2.930 0.050
+ATOM 18 CA ALA 10 13.228 -24.911 0.333 0.026
+ATOM 19 CB ALA 10 12.687 -24.783 -0.162 0.046
+ATOM 20 CA ALA 11 16.634 -23.393 1.175 0.036
+ATOM 21 CB ALA 11 17.219 -23.942 1.197 0.048
+ATOM 22 CA ALA 12 17.049 -19.839 -0.076 0.040
+ATOM 23 CB ALA 12 16.851 -19.704 0.634 0.219
+ATOM 24 CA ALA 13 18.439 -18.312 -3.295 0.011
+ATOM 25 CB ALA 13 18.494 -18.092 -3.975 0.076
+ATOM 26 CA CYS 14 18.354 -14.792 -1.773 0.019
+ATOM 27 CB CYS 14 17.229 -14.310 -1.466 0.024
+ATOM 28 CA ALA 15 21.200 -15.572 0.663 0.008
+ATOM 29 CB ALA 15 21.263 -16.125 1.007 0.017
+ATOM 30 CA ALA 16 23.848 -15.089 -2.013 0.009
+ATOM 31 CB ALA 16 23.828 -15.329 -2.720 0.143
+ATOM 32 CA ALA 17 24.997 -11.947 -3.907 0.016
+ATOM 33 CB ALA 17 25.407 -11.797 -3.348 0.039
+ATOM 34 CA GLY 18 25.952 -11.825 -7.567 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 394.51 ENERGY -5.63065E+00
+REMARK time 377.50 ENERGY 5.26789E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 10.760 4.525 -2.417 0.013
-ATOM 2 CA ALA 2 8.349 1.672 -3.161 0.022
-ATOM 3 CB ALA 2 7.958 1.176 -3.524 0.039
-ATOM 4 CA ALA 3 7.219 -0.398 -0.161 0.017
-ATOM 5 CB ALA 3 6.802 0.088 0.218 0.117
-ATOM 6 CA ALA 4 4.738 -3.299 -0.608 0.026
-ATOM 7 CB ALA 4 4.433 -3.985 -0.654 0.099
-ATOM 8 CA CYS 5 7.598 -5.662 -1.782 0.036
-ATOM 9 CB CYS 5 8.394 -5.308 -0.863 0.025
-ATOM 10 CA ALA 6 7.110 -9.404 -1.093 0.033
-ATOM 11 CB ALA 6 7.341 -9.665 -1.764 0.067
-ATOM 12 CA ALA 7 7.761 -11.156 2.223 0.044
-ATOM 13 CB ALA 7 7.063 -11.219 2.509 0.198
-ATOM 14 CA ALA 8 10.626 -13.743 2.103 0.023
-ATOM 15 CB ALA 8 11.224 -13.438 2.356 0.002
-ATOM 16 CA ALA 9 11.113 -17.502 1.717 0.017
-ATOM 17 CB ALA 9 10.959 -17.498 0.975 0.009
-ATOM 18 CA ALA 10 14.356 -19.321 2.272 0.049
-ATOM 19 CB ALA 10 14.349 -19.752 2.893 0.076
-ATOM 20 CA ALA 11 17.599 -19.621 0.274 0.038
-ATOM 21 CB ALA 11 17.552 -19.129 0.866 0.089
-ATOM 22 CA ALA 12 19.904 -22.389 -0.888 0.034
-ATOM 23 CB ALA 12 19.978 -22.474 -1.723 0.098
-ATOM 24 CA ALA 13 22.830 -23.608 1.204 0.072
-ATOM 25 CB ALA 13 23.082 -24.338 1.274 0.136
-ATOM 26 CA CYS 14 26.404 -22.999 0.202 0.044
-ATOM 27 CB CYS 14 26.612 -22.006 0.933 0.023
-ATOM 28 CA ALA 15 29.578 -25.096 0.757 0.036
-ATOM 29 CB ALA 15 29.575 -25.814 1.036 0.038
-ATOM 30 CA ALA 16 32.859 -25.004 -1.041 0.015
-ATOM 31 CB ALA 16 32.980 -24.254 -0.824 0.016
-ATOM 32 CA ALA 17 35.516 -27.692 -1.224 0.005
-ATOM 33 CB ALA 17 35.454 -27.781 -1.914 0.057
-ATOM 34 CA GLY 18 38.963 -28.831 -0.172 0.000
+ATOM 1 CA GLY 1 18.263 -0.666 0.928 0.019
+ATOM 2 CA ALA 2 19.369 -4.281 1.730 0.039
+ATOM 3 CB ALA 2 19.788 -4.565 2.356 0.018
+ATOM 4 CA ALA 3 16.805 -6.874 0.918 0.003
+ATOM 5 CB ALA 3 16.506 -6.995 0.310 0.116
+ATOM 6 CA ALA 4 16.476 -10.186 2.741 0.013
+ATOM 7 CB ALA 4 16.130 -10.178 3.267 0.076
+ATOM 8 CA CYS 5 14.682 -12.947 0.850 0.023
+ATOM 9 CB CYS 5 15.639 -13.668 0.647 0.024
+ATOM 10 CA ALA 6 12.531 -14.434 3.632 0.016
+ATOM 11 CB ALA 6 12.122 -14.119 4.129 0.009
+ATOM 12 CA ALA 7 9.058 -15.343 2.496 0.015
+ATOM 13 CB ALA 7 8.492 -14.777 2.629 0.026
+ATOM 14 CA ALA 8 10.240 -18.340 0.511 0.022
+ATOM 15 CB ALA 8 10.913 -18.302 0.228 0.085
+ATOM 16 CA ALA 9 10.486 -21.855 1.867 0.004
+ATOM 17 CB ALA 9 9.735 -22.017 1.812 0.028
+ATOM 18 CA ALA 10 12.456 -24.824 0.435 0.024
+ATOM 19 CB ALA 10 12.059 -25.120 -0.114 0.076
+ATOM 20 CA ALA 11 15.637 -22.892 0.660 0.065
+ATOM 21 CB ALA 11 16.081 -23.417 0.890 0.073
+ATOM 22 CA ALA 12 16.972 -19.871 -1.278 0.065
+ATOM 23 CB ALA 12 17.054 -19.359 -0.811 0.083
+ATOM 24 CA ALA 13 19.730 -18.948 -3.775 0.010
+ATOM 25 CB ALA 13 19.277 -19.230 -4.293 0.003
+ATOM 26 CA CYS 14 19.462 -15.224 -2.742 0.011
+ATOM 27 CB CYS 14 18.797 -14.870 -1.829 0.025
+ATOM 28 CA ALA 15 21.731 -15.807 0.192 0.058
+ATOM 29 CB ALA 15 21.801 -16.481 0.530 0.079
+ATOM 30 CA ALA 16 24.870 -15.617 -1.902 0.027
+ATOM 31 CB ALA 16 25.343 -16.157 -2.280 0.051
+ATOM 32 CA ALA 17 26.264 -12.453 -3.370 0.058
+ATOM 33 CB ALA 17 26.908 -12.633 -3.020 0.166
+ATOM 34 CA GLY 18 25.790 -11.788 -7.144 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 420.29 ENERGY -4.22120E+00
+REMARK time 404.85 ENERGY -6.11548E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 12.486 1.181 -2.080 0.029
-ATOM 2 CA ALA 2 8.983 -0.267 -2.130 0.068
-ATOM 3 CB ALA 2 8.755 -0.876 -2.444 0.114
-ATOM 4 CA ALA 3 6.274 -0.959 0.381 0.008
-ATOM 5 CB ALA 3 5.768 -0.510 0.510 0.049
-ATOM 6 CA ALA 4 4.640 -3.383 -1.985 0.024
-ATOM 7 CB ALA 4 4.936 -3.315 -2.638 0.048
-ATOM 8 CA CYS 5 7.351 -5.958 -1.581 0.003
-ATOM 9 CB CYS 5 8.061 -5.391 -0.761 0.025
-ATOM 10 CA ALA 6 6.931 -9.419 -0.093 0.029
-ATOM 11 CB ALA 6 6.954 -10.237 -0.296 0.063
-ATOM 12 CA ALA 7 7.643 -11.285 3.110 0.006
-ATOM 13 CB ALA 7 7.488 -11.726 3.736 0.039
-ATOM 14 CA ALA 8 11.070 -12.417 1.719 0.026
-ATOM 15 CB ALA 8 11.841 -12.285 1.788 0.068
-ATOM 16 CA ALA 9 11.588 -16.117 1.276 0.041
-ATOM 17 CB ALA 9 11.648 -16.048 0.541 0.025
-ATOM 18 CA ALA 10 14.779 -18.048 1.942 0.022
-ATOM 19 CB ALA 10 14.516 -18.042 2.598 0.039
-ATOM 20 CA ALA 11 17.359 -19.412 -0.506 0.072
-ATOM 21 CB ALA 11 17.743 -18.752 -0.815 0.032
-ATOM 22 CA ALA 12 19.463 -22.573 -0.438 0.055
-ATOM 23 CB ALA 12 19.052 -22.857 -0.995 0.068
-ATOM 24 CA ALA 13 22.989 -23.231 0.655 0.011
-ATOM 25 CB ALA 13 23.064 -23.443 1.404 0.265
-ATOM 26 CA CYS 14 26.317 -23.296 -1.064 0.082
-ATOM 27 CB CYS 14 26.764 -22.261 -1.621 0.039
-ATOM 28 CA ALA 15 29.220 -24.862 0.877 0.032
-ATOM 29 CB ALA 15 29.460 -25.559 0.987 0.119
-ATOM 30 CA ALA 16 33.024 -24.738 0.693 0.018
-ATOM 31 CB ALA 16 33.489 -24.269 1.058 0.037
-ATOM 32 CA ALA 17 34.770 -27.711 -0.869 0.006
-ATOM 33 CB ALA 17 34.955 -27.551 -1.591 0.029
-ATOM 34 CA GLY 18 38.216 -28.859 0.451 0.000
+ATOM 1 CA GLY 1 15.604 -0.353 1.324 0.012
+ATOM 2 CA ALA 2 17.777 -3.496 0.671 0.034
+ATOM 3 CB ALA 2 18.420 -3.469 1.094 0.008
+ATOM 4 CA ALA 3 15.903 -6.830 0.374 0.029
+ATOM 5 CB ALA 3 15.727 -7.146 -0.234 0.192
+ATOM 6 CA ALA 4 15.924 -10.302 2.054 0.008
+ATOM 7 CB ALA 4 15.712 -10.163 2.665 0.200
+ATOM 8 CA CYS 5 15.436 -13.795 0.624 0.043
+ATOM 9 CB CYS 5 16.548 -14.258 0.137 0.023
+ATOM 10 CA ALA 6 14.097 -15.646 3.691 0.042
+ATOM 11 CB ALA 6 14.613 -15.900 4.190 0.117
+ATOM 12 CA ALA 7 10.598 -14.124 3.386 0.006
+ATOM 13 CB ALA 7 10.474 -13.413 3.038 0.060
+ATOM 14 CA ALA 8 9.390 -17.415 1.860 0.027
+ATOM 15 CB ALA 8 9.299 -17.576 1.247 0.064
+ATOM 16 CA ALA 9 9.460 -21.169 2.626 0.070
+ATOM 17 CB ALA 9 8.759 -21.322 2.917 0.073
+ATOM 18 CA ALA 10 10.942 -23.048 -0.262 0.016
+ATOM 19 CB ALA 10 11.077 -22.936 -0.997 0.088
+ATOM 20 CA ALA 11 14.644 -23.455 -0.628 0.078
+ATOM 21 CB ALA 11 15.082 -24.073 -0.740 0.008
+ATOM 22 CA ALA 12 16.856 -20.391 -1.147 0.028
+ATOM 23 CB ALA 12 17.104 -19.912 -0.675 0.039
+ATOM 24 CA ALA 13 19.995 -20.234 -3.109 0.035
+ATOM 25 CB ALA 13 19.716 -20.617 -3.611 0.058
+ATOM 26 CA CYS 14 20.259 -16.465 -2.395 0.008
+ATOM 27 CB CYS 14 19.390 -16.001 -1.711 0.017
+ATOM 28 CA ALA 15 23.276 -16.762 -0.123 0.019
+ATOM 29 CB ALA 15 23.099 -17.511 -0.253 0.009
+ATOM 30 CA ALA 16 25.723 -15.637 -2.778 0.033
+ATOM 31 CB ALA 16 25.227 -16.035 -3.261 0.058
+ATOM 32 CA ALA 17 26.995 -12.049 -2.552 0.004
+ATOM 33 CB ALA 17 27.659 -12.384 -2.517 0.017
+ATOM 34 CA GLY 18 25.532 -8.829 -3.889 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 440.63 ENERGY -6.41325E+00
+REMARK time 430.66 ENERGY -1.00201E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 12.505 -0.587 -1.922 0.043
-ATOM 2 CA ALA 2 8.825 -0.331 -1.438 0.129
-ATOM 3 CB ALA 2 8.605 -0.019 -2.218 0.220
-ATOM 4 CA ALA 3 6.182 -1.182 1.109 0.041
-ATOM 5 CB ALA 3 6.329 -0.629 1.405 0.113
-ATOM 6 CA ALA 4 3.959 -2.985 -1.400 0.027
-ATOM 7 CB ALA 4 3.890 -2.557 -1.961 0.158
-ATOM 8 CA CYS 5 6.692 -5.585 -1.980 0.030
-ATOM 9 CB CYS 5 7.758 -5.294 -2.539 0.016
-ATOM 10 CA ALA 6 5.838 -8.838 -0.224 0.011
-ATOM 11 CB ALA 6 5.244 -9.238 -0.491 0.171
-ATOM 12 CA ALA 7 7.954 -10.360 2.509 0.015
-ATOM 13 CB ALA 7 7.847 -10.471 3.216 0.083
-ATOM 14 CA ALA 8 10.805 -12.531 1.466 0.034
-ATOM 15 CB ALA 8 11.510 -12.238 1.356 0.004
-ATOM 16 CA ALA 9 11.483 -16.271 1.791 0.023
-ATOM 17 CB ALA 9 11.216 -16.683 1.208 0.049
-ATOM 18 CA ALA 10 14.828 -17.919 2.126 0.017
-ATOM 19 CB ALA 10 14.810 -18.419 2.605 0.037
-ATOM 20 CA ALA 11 17.636 -19.220 -0.002 0.025
-ATOM 21 CB ALA 11 18.137 -18.689 -0.284 0.144
-ATOM 22 CA ALA 12 20.181 -22.029 -0.080 0.003
-ATOM 23 CB ALA 12 20.268 -22.721 -0.307 0.055
-ATOM 24 CA ALA 13 24.006 -21.885 -0.052 0.018
-ATOM 25 CB ALA 13 24.247 -21.514 0.579 0.007
-ATOM 26 CA CYS 14 26.751 -24.220 -1.279 0.005
-ATOM 27 CB CYS 14 26.978 -23.960 -2.482 0.002
-ATOM 28 CA ALA 15 29.095 -26.296 0.887 0.007
-ATOM 29 CB ALA 15 28.660 -26.844 0.979 0.004
-ATOM 30 CA ALA 16 32.901 -25.770 0.880 0.005
-ATOM 31 CB ALA 16 33.179 -25.363 1.384 0.060
-ATOM 32 CA ALA 17 35.437 -28.062 -0.783 0.009
-ATOM 33 CB ALA 17 35.377 -27.796 -1.409 0.130
-ATOM 34 CA GLY 18 38.414 -26.466 1.059 0.000
+ATOM 1 CA GLY 1 13.548 -2.127 0.287 0.050
+ATOM 2 CA ALA 2 15.706 -5.213 -0.195 0.026
+ATOM 3 CB ALA 2 16.336 -4.894 -0.570 0.052
+ATOM 4 CA ALA 3 14.708 -8.605 1.294 0.023
+ATOM 5 CB ALA 3 14.316 -8.841 0.772 0.104
+ATOM 6 CA ALA 4 17.246 -11.345 1.832 0.058
+ATOM 7 CB ALA 4 17.482 -11.243 2.543 0.042
+ATOM 8 CA CYS 5 16.388 -14.664 0.298 0.070
+ATOM 9 CB CYS 5 17.464 -14.871 -0.369 0.025
+ATOM 10 CA ALA 6 15.237 -16.003 3.693 0.014
+ATOM 11 CB ALA 6 15.982 -16.117 3.660 0.120
+ATOM 12 CA ALA 7 12.400 -13.480 3.764 0.028
+ATOM 13 CB ALA 7 12.304 -12.881 3.314 0.113
+ATOM 14 CA ALA 8 9.999 -16.072 2.380 0.057
+ATOM 15 CB ALA 8 10.151 -16.115 1.625 0.017
+ATOM 16 CA ALA 9 9.166 -19.685 3.303 0.014
+ATOM 17 CB ALA 9 8.486 -20.020 3.338 0.153
+ATOM 18 CA ALA 10 10.964 -21.542 0.527 0.124
+ATOM 19 CB ALA 10 10.930 -21.136 -0.144 0.062
+ATOM 20 CA ALA 11 14.723 -21.635 -0.022 0.018
+ATOM 21 CB ALA 11 15.090 -22.177 0.373 0.044
+ATOM 22 CA ALA 12 16.448 -20.128 -3.088 0.010
+ATOM 23 CB ALA 12 16.274 -19.474 -3.351 0.071
+ATOM 24 CA ALA 13 19.948 -20.014 -4.514 0.054
+ATOM 25 CB ALA 13 19.845 -20.306 -5.211 0.125
+ATOM 26 CA CYS 14 20.579 -16.409 -3.509 0.032
+ATOM 27 CB CYS 14 19.525 -16.450 -2.775 0.010
+ATOM 28 CA ALA 15 22.197 -17.184 -0.124 0.023
+ATOM 29 CB ALA 15 21.948 -17.797 0.245 0.039
+ATOM 30 CA ALA 16 25.512 -15.634 -1.093 0.046
+ATOM 31 CB ALA 16 25.896 -15.817 -1.742 0.023
+ATOM 32 CA ALA 17 25.522 -11.866 -0.755 0.002
+ATOM 33 CB ALA 17 25.292 -11.363 -0.288 0.037
+ATOM 34 CA GLY 18 27.774 -10.286 -3.406 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 462.20 ENERGY -5.51958E+00
+REMARK time 455.32 ENERGY -3.95512E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 12.293 -0.992 -0.827 0.012
-ATOM 2 CA ALA 2 8.881 0.453 -1.706 0.010
-ATOM 3 CB ALA 2 8.703 0.351 -2.405 0.088
-ATOM 4 CA ALA 3 6.232 -0.380 0.896 0.052
-ATOM 5 CB ALA 3 5.621 -0.007 1.209 0.124
-ATOM 6 CA ALA 4 3.328 -2.518 -0.438 0.004
-ATOM 7 CB ALA 4 2.759 -2.655 -0.926 0.080
-ATOM 8 CA CYS 5 5.589 -5.030 -2.087 0.040
-ATOM 9 CB CYS 5 6.664 -4.301 -2.081 0.025
-ATOM 10 CA ALA 6 6.144 -8.613 -0.886 0.033
-ATOM 11 CB ALA 6 6.433 -9.250 -1.338 0.046
-ATOM 12 CA ALA 7 8.030 -10.721 1.657 0.018
-ATOM 13 CB ALA 7 7.729 -10.818 2.372 0.261
-ATOM 14 CA ALA 8 10.642 -13.326 0.796 0.013
-ATOM 15 CB ALA 8 11.133 -12.840 0.423 0.023
-ATOM 16 CA ALA 9 12.177 -16.554 2.110 0.028
-ATOM 17 CB ALA 9 11.775 -17.115 2.031 0.026
-ATOM 18 CA ALA 10 16.043 -17.012 1.952 0.016
-ATOM 19 CB ALA 10 16.168 -17.390 2.494 0.330
-ATOM 20 CA ALA 11 17.617 -19.280 -0.660 0.012
-ATOM 21 CB ALA 11 17.763 -18.693 -1.073 0.011
-ATOM 22 CA ALA 12 19.809 -22.352 -0.019 0.027
-ATOM 23 CB ALA 12 19.886 -22.923 -0.488 0.026
-ATOM 24 CA ALA 13 23.546 -22.717 0.959 0.005
-ATOM 25 CB ALA 13 23.566 -22.667 1.650 0.163
-ATOM 26 CA CYS 14 26.488 -24.524 -0.653 0.001
-ATOM 27 CB CYS 14 26.380 -24.020 -1.790 0.005
-ATOM 28 CA ALA 15 29.546 -26.603 0.516 0.005
-ATOM 29 CB ALA 15 29.599 -27.228 0.734 0.061
-ATOM 30 CA ALA 16 33.164 -25.605 -0.075 0.009
-ATOM 31 CB ALA 16 33.697 -25.087 -0.006 0.057
-ATOM 32 CA ALA 17 35.989 -28.035 0.360 0.001
-ATOM 33 CB ALA 17 35.711 -28.378 -0.241 0.091
-ATOM 34 CA GLY 18 39.684 -27.220 0.316 0.000
+ATOM 1 CA GLY 1 14.406 -0.629 -0.707 0.019
+ATOM 2 CA ALA 2 14.289 -4.386 -1.249 0.022
+ATOM 3 CB ALA 2 14.226 -4.272 -1.952 0.122
+ATOM 4 CA ALA 3 14.808 -7.188 1.246 0.044
+ATOM 5 CB ALA 3 14.163 -7.594 1.522 0.054
+ATOM 6 CA ALA 4 16.504 -10.505 0.680 0.028
+ATOM 7 CB ALA 4 17.282 -10.623 0.750 0.338
+ATOM 8 CA CYS 5 15.166 -14.077 0.126 0.037
+ATOM 9 CB CYS 5 16.033 -14.740 -0.404 0.055
+ATOM 10 CA ALA 6 16.159 -15.083 3.570 0.004
+ATOM 11 CB ALA 6 16.902 -15.011 3.405 0.016
+ATOM 12 CA ALA 7 12.654 -14.163 4.820 0.021
+ATOM 13 CB ALA 7 12.277 -13.516 4.753 0.063
+ATOM 14 CA ALA 8 11.070 -16.910 2.716 0.003
+ATOM 15 CB ALA 8 11.384 -17.098 2.028 0.087
+ATOM 16 CA ALA 9 10.314 -20.467 3.627 0.012
+ATOM 17 CB ALA 9 9.777 -21.108 3.617 0.006
+ATOM 18 CA ALA 10 11.275 -22.020 0.272 0.007
+ATOM 19 CB ALA 10 10.916 -22.035 -0.277 0.130
+ATOM 20 CA ALA 11 14.771 -22.603 -1.037 0.025
+ATOM 21 CB ALA 11 15.151 -23.283 -1.052 0.014
+ATOM 22 CA ALA 12 16.356 -19.656 -2.810 0.029
+ATOM 23 CB ALA 12 16.174 -19.381 -2.123 0.151
+ATOM 24 CA ALA 13 19.244 -18.546 -5.068 0.019
+ATOM 25 CB ALA 13 19.154 -18.078 -5.651 0.062
+ATOM 26 CA CYS 14 20.447 -15.598 -2.904 0.012
+ATOM 27 CB CYS 14 19.210 -15.360 -2.531 0.038
+ATOM 28 CA ALA 15 21.697 -17.901 -0.153 0.046
+ATOM 29 CB ALA 15 21.720 -18.627 -0.068 0.023
+ATOM 30 CA ALA 16 25.295 -16.943 -0.844 0.014
+ATOM 31 CB ALA 16 25.732 -16.991 -1.490 0.012
+ATOM 32 CA ALA 17 26.554 -13.532 0.041 0.042
+ATOM 33 CB ALA 17 26.615 -13.776 0.736 0.082
+ATOM 34 CA GLY 18 29.093 -11.161 -1.549 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 488.06 ENERGY -6.13231E+00
+REMARK time 483.78 ENERGY -9.14086E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 11.989 -0.288 -1.628 0.006
-ATOM 2 CA ALA 2 8.465 0.792 -0.574 0.001
-ATOM 3 CB ALA 2 7.917 1.098 -0.947 0.034
-ATOM 4 CA ALA 3 5.877 -1.068 1.548 0.039
-ATOM 5 CB ALA 3 5.928 -0.776 2.195 0.051
-ATOM 6 CA ALA 4 2.813 -2.370 -0.297 0.042
-ATOM 7 CB ALA 4 2.389 -2.020 -0.861 0.162
-ATOM 8 CA CYS 5 4.740 -5.224 -1.818 0.039
-ATOM 9 CB CYS 5 5.720 -4.594 -2.124 0.014
-ATOM 10 CA ALA 6 6.216 -8.524 -0.727 0.046
-ATOM 11 CB ALA 6 6.183 -9.270 -0.994 0.005
-ATOM 12 CA ALA 7 9.686 -9.545 0.330 0.035
-ATOM 13 CB ALA 7 10.078 -9.526 0.851 0.079
-ATOM 14 CA ALA 8 11.467 -12.739 -0.630 0.018
-ATOM 15 CB ALA 8 11.580 -12.241 -1.175 0.020
-ATOM 16 CA ALA 9 11.640 -16.268 0.538 0.007
-ATOM 17 CB ALA 9 11.125 -16.652 0.207 0.049
-ATOM 18 CA ALA 10 15.069 -17.837 1.383 0.011
-ATOM 19 CB ALA 10 15.534 -17.829 1.950 0.108
-ATOM 20 CA ALA 11 17.631 -20.312 -0.074 0.052
-ATOM 21 CB ALA 11 18.159 -19.984 -0.637 0.072
-ATOM 22 CA ALA 12 20.408 -22.032 1.811 0.009
-ATOM 23 CB ALA 12 20.058 -22.441 2.358 0.081
-ATOM 24 CA ALA 13 24.187 -22.433 1.321 0.042
-ATOM 25 CB ALA 13 24.430 -21.852 1.706 0.158
-ATOM 26 CA CYS 14 26.529 -25.142 0.052 0.016
-ATOM 27 CB CYS 14 26.103 -25.318 -1.054 0.033
-ATOM 28 CA ALA 15 30.219 -25.129 0.896 0.008
-ATOM 29 CB ALA 15 30.770 -25.212 1.488 0.027
-ATOM 30 CA ALA 16 32.940 -26.657 -1.225 0.032
-ATOM 31 CB ALA 16 32.806 -26.271 -1.951 0.039
-ATOM 32 CA ALA 17 35.976 -28.564 -0.118 0.009
-ATOM 33 CB ALA 17 36.020 -29.229 -0.473 0.167
-ATOM 34 CA GLY 18 39.325 -26.963 0.903 0.000
+ATOM 1 CA GLY 1 13.997 -0.931 -1.657 0.065
+ATOM 2 CA ALA 2 15.961 -4.144 -0.840 0.142
+ATOM 3 CB ALA 2 16.597 -4.453 -0.724 0.089
+ATOM 4 CA ALA 3 13.395 -6.919 -0.353 0.048
+ATOM 5 CB ALA 3 13.135 -6.983 -1.077 0.029
+ATOM 6 CA ALA 4 14.842 -9.820 1.728 0.076
+ATOM 7 CB ALA 4 14.696 -9.901 2.505 0.010
+ATOM 8 CA CYS 5 14.948 -13.424 0.596 0.079
+ATOM 9 CB CYS 5 15.747 -13.719 -0.185 0.076
+ATOM 10 CA ALA 6 15.143 -14.574 4.190 0.056
+ATOM 11 CB ALA 6 15.358 -14.182 4.749 0.062
+ATOM 12 CA ALA 7 11.357 -14.447 4.502 0.014
+ATOM 13 CB ALA 7 11.066 -13.886 4.172 0.021
+ATOM 14 CA ALA 8 10.850 -17.810 2.557 0.004
+ATOM 15 CB ALA 8 11.096 -17.659 1.771 0.060
+ATOM 16 CA ALA 9 10.647 -21.410 3.847 0.006
+ATOM 17 CB ALA 9 9.981 -21.511 3.557 0.073
+ATOM 18 CA ALA 10 12.161 -22.766 0.619 0.039
+ATOM 19 CB ALA 10 11.766 -22.552 0.003 0.024
+ATOM 20 CA ALA 11 15.787 -22.352 -0.445 0.021
+ATOM 21 CB ALA 11 16.261 -22.962 -0.529 0.085
+ATOM 22 CA ALA 12 16.328 -19.366 -2.699 0.003
+ATOM 23 CB ALA 12 16.062 -18.927 -2.235 0.018
+ATOM 24 CA ALA 13 19.017 -17.937 -5.011 0.004
+ATOM 25 CB ALA 13 19.066 -17.965 -5.781 0.053
+ATOM 26 CA CYS 14 20.185 -15.179 -2.633 0.026
+ATOM 27 CB CYS 14 19.243 -14.919 -1.795 0.047
+ATOM 28 CA ALA 15 22.034 -17.659 -0.421 0.009
+ATOM 29 CB ALA 15 21.561 -18.196 -0.570 0.118
+ATOM 30 CA ALA 16 25.323 -16.768 -2.036 0.010
+ATOM 31 CB ALA 16 25.253 -16.432 -2.689 0.045
+ATOM 32 CA ALA 17 28.683 -15.720 -0.494 0.020
+ATOM 33 CB ALA 17 29.392 -16.037 -0.458 0.046
+ATOM 34 CA GLY 18 29.994 -12.220 -1.088 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 511.55 ENERGY -4.36984E+00
+REMARK time 512.08 ENERGY -2.42094E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 10.775 1.534 -1.582 0.050
-ATOM 2 CA ALA 2 7.428 1.307 0.222 0.019
-ATOM 3 CB ALA 2 6.858 1.694 -0.135 0.049
-ATOM 4 CA ALA 3 6.160 -1.768 2.080 0.025
-ATOM 5 CB ALA 3 6.382 -1.280 2.672 0.067
-ATOM 6 CA ALA 4 3.104 -3.604 0.732 0.005
-ATOM 7 CB ALA 4 2.396 -3.397 0.796 0.026
-ATOM 8 CA CYS 5 5.098 -5.099 -2.177 0.006
-ATOM 9 CB CYS 5 6.267 -4.629 -1.934 0.031
-ATOM 10 CA ALA 6 6.279 -8.649 -2.349 0.019
-ATOM 11 CB ALA 6 5.763 -8.991 -2.819 0.052
-ATOM 12 CA ALA 7 9.715 -9.777 -1.127 0.134
-ATOM 13 CB ALA 7 9.367 -9.793 -0.435 0.059
-ATOM 14 CA ALA 8 11.275 -13.007 -2.282 0.069
-ATOM 15 CB ALA 8 12.038 -12.883 -2.439 0.059
-ATOM 16 CA ALA 9 12.359 -15.948 -0.149 0.028
-ATOM 17 CB ALA 9 12.114 -16.654 -0.259 0.011
-ATOM 18 CA ALA 10 15.201 -17.491 1.935 0.101
-ATOM 19 CB ALA 10 14.974 -17.563 2.661 0.045
-ATOM 20 CA ALA 11 18.295 -19.121 0.452 0.053
-ATOM 21 CB ALA 11 18.576 -18.484 0.276 0.067
-ATOM 22 CA ALA 12 20.710 -21.474 2.114 0.018
-ATOM 23 CB ALA 12 20.501 -22.163 2.333 0.113
-ATOM 24 CA ALA 13 24.397 -22.419 1.445 0.015
-ATOM 25 CB ALA 13 24.307 -21.688 1.575 0.103
-ATOM 26 CA CYS 14 26.730 -25.502 1.237 0.048
-ATOM 27 CB CYS 14 25.989 -25.907 0.196 0.018
-ATOM 28 CA ALA 15 30.485 -24.739 1.448 0.024
-ATOM 29 CB ALA 15 30.752 -24.710 2.129 0.017
-ATOM 30 CA ALA 16 32.662 -26.362 -1.089 0.008
-ATOM 31 CB ALA 16 33.146 -26.126 -1.635 0.022
-ATOM 32 CA ALA 17 35.361 -28.804 0.024 0.028
-ATOM 33 CB ALA 17 35.444 -29.498 -0.246 0.004
-ATOM 34 CA GLY 18 38.413 -28.998 -2.255 0.000
+ATOM 1 CA GLY 1 14.807 -1.500 -1.926 0.011
+ATOM 2 CA ALA 2 16.576 -4.840 -1.677 0.017
+ATOM 3 CB ALA 2 16.975 -5.089 -1.233 0.115
+ATOM 4 CA ALA 3 14.031 -7.283 -0.141 0.015
+ATOM 5 CB ALA 3 13.529 -7.618 -0.531 0.084
+ATOM 6 CA ALA 4 14.750 -10.139 2.183 0.024
+ATOM 7 CB ALA 4 14.675 -10.207 2.948 0.015
+ATOM 8 CA CYS 5 15.367 -13.824 1.738 0.043
+ATOM 9 CB CYS 5 16.487 -14.241 1.436 0.016
+ATOM 10 CA ALA 6 13.429 -15.167 4.711 0.054
+ATOM 11 CB ALA 6 13.559 -15.053 5.394 0.040
+ATOM 12 CA ALA 7 10.029 -14.287 3.083 0.036
+ATOM 13 CB ALA 7 9.977 -13.593 3.223 0.065
+ATOM 14 CA ALA 8 9.850 -17.840 1.653 0.015
+ATOM 15 CB ALA 8 10.169 -17.789 0.930 0.029
+ATOM 16 CA ALA 9 10.791 -21.080 3.433 0.014
+ATOM 17 CB ALA 9 10.072 -21.361 3.326 0.052
+ATOM 18 CA ALA 10 12.741 -22.213 0.374 0.038
+ATOM 19 CB ALA 10 12.806 -21.734 -0.069 0.022
+ATOM 20 CA ALA 11 16.412 -21.667 -0.413 0.024
+ATOM 21 CB ALA 11 16.858 -22.242 -0.345 0.012
+ATOM 22 CA ALA 12 16.357 -18.623 -2.693 0.008
+ATOM 23 CB ALA 12 16.397 -17.868 -2.667 0.073
+ATOM 24 CA ALA 13 19.702 -17.433 -4.251 0.002
+ATOM 25 CB ALA 13 19.930 -17.243 -4.881 0.206
+ATOM 26 CA CYS 14 20.455 -15.045 -1.347 0.059
+ATOM 27 CB CYS 14 19.466 -14.971 -0.595 0.043
+ATOM 28 CA ALA 15 22.482 -17.741 0.340 0.092
+ATOM 29 CB ALA 15 22.364 -18.507 0.183 0.010
+ATOM 30 CA ALA 16 25.247 -17.433 -2.332 0.008
+ATOM 31 CB ALA 16 25.033 -17.215 -3.024 0.050
+ATOM 32 CA ALA 17 27.916 -14.710 -1.710 0.021
+ATOM 33 CB ALA 17 28.195 -15.106 -1.135 0.060
+ATOM 34 CA GLY 18 28.811 -12.676 -4.865 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 533.98 ENERGY -4.43105E+00
+REMARK time 542.08 ENERGY -9.51044E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 9.174 4.426 2.869 0.022
-ATOM 2 CA ALA 2 6.718 2.239 1.060 0.012
-ATOM 3 CB ALA 2 6.488 2.497 0.437 0.007
-ATOM 4 CA ALA 3 6.426 -1.491 1.053 0.047
-ATOM 5 CB ALA 3 6.477 -2.184 1.449 0.032
-ATOM 6 CA ALA 4 3.063 -3.039 0.165 0.043
-ATOM 7 CB ALA 4 2.733 -2.357 0.162 0.085
-ATOM 8 CA CYS 5 4.575 -5.511 -2.362 0.016
-ATOM 9 CB CYS 5 5.450 -4.647 -2.635 0.058
-ATOM 10 CA ALA 6 5.670 -9.138 -1.622 0.012
-ATOM 11 CB ALA 6 5.117 -9.688 -1.793 0.013
-ATOM 12 CA ALA 7 9.190 -10.500 -1.969 0.014
-ATOM 13 CB ALA 7 9.412 -9.804 -1.619 0.000
-ATOM 14 CA ALA 8 10.759 -13.930 -1.808 0.080
-ATOM 15 CB ALA 8 10.593 -14.353 -2.405 0.024
-ATOM 16 CA ALA 9 13.294 -15.573 0.421 0.064
-ATOM 17 CB ALA 9 12.860 -16.141 0.476 0.166
-ATOM 18 CA ALA 10 16.689 -17.080 -0.563 0.027
-ATOM 19 CB ALA 10 17.125 -16.491 -0.850 0.091
-ATOM 20 CA ALA 11 18.482 -20.444 0.013 0.036
-ATOM 21 CB ALA 11 18.698 -20.770 -0.587 0.092
-ATOM 22 CA ALA 12 21.574 -20.888 2.074 0.008
-ATOM 23 CB ALA 12 21.831 -21.249 2.683 0.041
-ATOM 24 CA ALA 13 25.251 -21.675 1.382 0.143
-ATOM 25 CB ALA 13 25.667 -21.114 1.187 0.014
-ATOM 26 CA CYS 14 26.957 -25.050 2.205 0.004
-ATOM 27 CB CYS 14 26.698 -25.011 0.984 0.051
-ATOM 28 CA ALA 15 30.765 -25.346 2.583 0.020
-ATOM 29 CB ALA 15 30.927 -25.412 3.297 0.027
-ATOM 30 CA ALA 16 33.320 -26.524 0.024 0.002
-ATOM 31 CB ALA 16 33.758 -26.237 -0.480 0.056
-ATOM 32 CA ALA 17 33.662 -30.185 -1.131 0.004
-ATOM 33 CB ALA 17 33.039 -30.454 -1.393 0.110
-ATOM 34 CA GLY 18 37.148 -29.562 -2.566 0.000
+ATOM 1 CA GLY 1 16.470 -0.815 -1.300 0.006
+ATOM 2 CA ALA 2 16.540 -4.528 -1.928 0.042
+ATOM 3 CB ALA 2 17.028 -4.933 -2.272 0.003
+ATOM 4 CA ALA 3 15.370 -6.987 0.714 0.021
+ATOM 5 CB ALA 3 14.706 -6.726 0.948 0.021
+ATOM 6 CA ALA 4 16.138 -10.679 1.152 0.051
+ATOM 7 CB ALA 4 16.164 -10.713 1.907 0.041
+ATOM 8 CA CYS 5 14.698 -13.927 -0.134 0.007
+ATOM 9 CB CYS 5 15.548 -14.591 -0.622 0.030
+ATOM 10 CA ALA 6 14.740 -15.492 3.300 0.036
+ATOM 11 CB ALA 6 15.191 -15.424 3.904 0.060
+ATOM 12 CA ALA 7 11.256 -14.696 4.511 0.031
+ATOM 13 CB ALA 7 10.977 -14.070 4.834 0.028
+ATOM 14 CA ALA 8 9.945 -17.597 2.428 0.017
+ATOM 15 CB ALA 8 9.724 -17.390 1.747 0.143
+ATOM 16 CA ALA 9 10.398 -21.348 2.777 0.014
+ATOM 17 CB ALA 9 9.725 -21.593 2.969 0.195
+ATOM 18 CA ALA 10 10.502 -22.676 -0.790 0.012
+ATOM 19 CB ALA 10 10.374 -22.181 -1.178 0.025
+ATOM 20 CA ALA 11 14.257 -22.645 -1.447 0.044
+ATOM 21 CB ALA 11 14.522 -23.264 -1.781 0.020
+ATOM 22 CA ALA 12 16.514 -19.611 -1.122 0.015
+ATOM 23 CB ALA 12 16.066 -19.345 -0.567 0.005
+ATOM 24 CA ALA 13 20.168 -19.543 -2.040 0.039
+ATOM 25 CB ALA 13 20.594 -19.926 -2.522 0.187
+ATOM 26 CA CYS 14 20.295 -15.819 -1.594 0.041
+ATOM 27 CB CYS 14 19.130 -15.626 -1.255 0.057
+ATOM 28 CA ALA 15 22.582 -16.055 1.447 0.018
+ATOM 29 CB ALA 15 22.940 -16.666 1.735 0.079
+ATOM 30 CA ALA 16 25.526 -15.419 -0.872 0.038
+ATOM 31 CB ALA 16 25.826 -15.725 -1.441 0.344
+ATOM 32 CA ALA 17 27.665 -12.582 -2.229 0.021
+ATOM 33 CB ALA 17 28.361 -12.904 -2.093 0.024
+ATOM 34 CA GLY 18 27.405 -11.171 -5.665 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 553.21 ENERGY 1.55912E+00
+REMARK time 570.53 ENERGY 3.76094E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 8.012 4.530 2.145 0.025
-ATOM 2 CA ALA 2 6.200 1.321 2.882 0.015
-ATOM 3 CB ALA 2 5.582 1.679 3.115 0.019
-ATOM 4 CA ALA 3 5.636 -1.670 0.644 0.003
-ATOM 5 CB ALA 3 6.117 -2.224 0.794 0.015
-ATOM 6 CA ALA 4 2.917 -2.869 -1.744 0.026
-ATOM 7 CB ALA 4 2.729 -2.458 -2.372 0.038
-ATOM 8 CA CYS 5 4.780 -6.139 -2.408 0.020
-ATOM 9 CB CYS 5 5.658 -6.156 -3.256 0.010
-ATOM 10 CA ALA 6 6.890 -8.019 0.037 0.025
-ATOM 11 CB ALA 6 6.450 -8.464 0.496 0.018
-ATOM 12 CA ALA 7 10.006 -10.180 -0.540 0.036
-ATOM 13 CB ALA 7 10.536 -10.319 -0.047 0.057
-ATOM 14 CA ALA 8 10.929 -13.733 -1.744 0.016
-ATOM 15 CB ALA 8 10.567 -13.795 -2.375 0.030
-ATOM 16 CA ALA 9 14.028 -15.410 -0.456 0.059
-ATOM 17 CB ALA 9 13.861 -15.666 0.287 0.059
-ATOM 18 CA ALA 10 16.663 -17.534 -2.146 0.003
-ATOM 19 CB ALA 10 16.956 -16.787 -2.195 0.108
-ATOM 20 CA ALA 11 18.912 -20.167 -0.454 0.001
-ATOM 21 CB ALA 11 18.831 -20.817 -0.749 0.226
-ATOM 22 CA ALA 12 21.656 -19.474 2.139 0.071
-ATOM 23 CB ALA 12 21.747 -19.740 2.863 0.023
-ATOM 24 CA ALA 13 25.188 -20.778 1.401 0.019
-ATOM 25 CB ALA 13 25.493 -20.028 1.312 0.043
-ATOM 26 CA CYS 14 27.027 -23.931 2.101 0.027
-ATOM 27 CB CYS 14 26.645 -24.875 1.452 0.036
-ATOM 28 CA ALA 15 30.514 -25.391 2.562 0.006
-ATOM 29 CB ALA 15 30.037 -26.089 2.437 0.100
-ATOM 30 CA ALA 16 31.898 -27.124 -0.605 0.005
-ATOM 31 CB ALA 16 32.151 -27.044 -1.271 0.109
-ATOM 32 CA ALA 17 34.294 -30.088 -0.313 0.001
-ATOM 33 CB ALA 17 33.881 -30.692 -0.103 0.090
-ATOM 34 CA GLY 18 36.504 -31.994 -2.665 0.000
+ATOM 1 CA GLY 1 17.043 -1.369 0.880 0.011
+ATOM 2 CA ALA 2 18.152 -4.678 -0.539 0.005
+ATOM 3 CB ALA 2 18.666 -5.204 -0.565 0.047
+ATOM 4 CA ALA 3 16.088 -7.850 -0.065 0.012
+ATOM 5 CB ALA 3 15.460 -7.984 -0.479 0.128
+ATOM 6 CA ALA 4 17.149 -11.264 1.132 0.022
+ATOM 7 CB ALA 4 17.241 -11.551 1.801 0.165
+ATOM 8 CA CYS 5 15.622 -14.567 -0.246 0.042
+ATOM 9 CB CYS 5 16.719 -14.993 -0.603 0.044
+ATOM 10 CA ALA 6 14.076 -15.285 3.214 0.042
+ATOM 11 CB ALA 6 14.448 -14.746 3.549 0.014
+ATOM 12 CA ALA 7 10.691 -14.284 1.909 0.021
+ATOM 13 CB ALA 7 10.331 -13.662 1.814 0.026
+ATOM 14 CA ALA 8 9.929 -17.777 0.639 0.005
+ATOM 15 CB ALA 8 10.275 -18.310 0.250 0.187
+ATOM 16 CA ALA 9 9.360 -20.022 3.681 0.029
+ATOM 17 CB ALA 9 8.830 -20.424 3.965 0.019
+ATOM 18 CA ALA 10 11.291 -22.851 2.278 0.010
+ATOM 19 CB ALA 10 10.794 -23.183 1.800 0.084
+ATOM 20 CA ALA 11 14.857 -22.717 0.944 0.035
+ATOM 21 CB ALA 11 14.939 -23.275 0.547 0.278
+ATOM 22 CA ALA 12 16.173 -19.892 -1.125 0.010
+ATOM 23 CB ALA 12 16.215 -19.196 -0.888 0.028
+ATOM 24 CA ALA 13 19.216 -19.829 -3.357 0.031
+ATOM 25 CB ALA 13 18.835 -19.919 -4.033 0.030
+ATOM 26 CA CYS 14 20.590 -16.243 -3.239 0.013
+ATOM 27 CB CYS 14 19.510 -15.945 -2.791 0.028
+ATOM 28 CA ALA 15 22.315 -16.741 0.137 0.045
+ATOM 29 CB ALA 15 22.844 -17.240 0.356 0.054
+ATOM 30 CA ALA 16 25.378 -14.919 -0.848 0.002
+ATOM 31 CB ALA 16 26.022 -15.139 -1.291 0.072
+ATOM 32 CA ALA 17 24.926 -11.340 -1.991 0.033
+ATOM 33 CB ALA 17 24.173 -11.042 -1.939 0.086
+ATOM 34 CA GLY 18 27.664 -8.609 -2.302 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 573.49 ENERGY 3.72133E+00
+REMARK time 597.42 ENERGY 1.32742E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 4.679 5.039 2.838 0.059
-ATOM 2 CA ALA 2 5.484 1.425 2.932 0.044
-ATOM 3 CB ALA 2 4.980 1.024 3.316 0.034
-ATOM 4 CA ALA 3 5.246 -0.712 -0.181 0.029
-ATOM 5 CB ALA 3 5.816 -1.073 -0.388 0.046
-ATOM 6 CA ALA 4 2.574 -3.169 -1.505 0.013
-ATOM 7 CB ALA 4 2.163 -3.068 -2.128 0.048
-ATOM 8 CA CYS 5 5.260 -5.686 -2.492 0.009
-ATOM 9 CB CYS 5 5.851 -5.412 -3.460 0.014
-ATOM 10 CA ALA 6 7.215 -7.766 0.009 0.007
-ATOM 11 CB ALA 6 6.707 -8.201 0.306 0.105
-ATOM 12 CA ALA 7 10.211 -10.025 -0.495 0.029
-ATOM 13 CB ALA 7 10.862 -9.704 -0.381 0.119
-ATOM 14 CA ALA 8 10.194 -13.727 -0.662 0.034
-ATOM 15 CB ALA 8 10.571 -14.083 -1.197 0.007
-ATOM 16 CA ALA 9 13.103 -15.982 0.438 0.026
-ATOM 17 CB ALA 9 13.307 -16.645 0.750 0.042
-ATOM 18 CA ALA 10 16.743 -15.885 -0.759 0.025
-ATOM 19 CB ALA 10 16.708 -15.230 -0.730 0.079
-ATOM 20 CA ALA 11 19.395 -18.728 -1.029 0.048
-ATOM 21 CB ALA 11 19.268 -19.254 -1.612 0.024
-ATOM 22 CA ALA 12 22.798 -19.593 0.532 0.064
-ATOM 23 CB ALA 12 23.062 -19.607 1.212 0.024
-ATOM 24 CA ALA 13 25.959 -21.657 0.072 0.051
-ATOM 25 CB ALA 13 26.630 -21.441 -0.122 0.017
-ATOM 26 CA CYS 14 27.098 -24.616 1.999 0.011
-ATOM 27 CB CYS 14 26.256 -25.339 1.208 0.016
-ATOM 28 CA ALA 15 30.693 -25.705 2.090 0.001
-ATOM 29 CB ALA 15 30.920 -25.937 2.762 0.022
-ATOM 30 CA ALA 16 31.814 -28.672 0.033 0.043
-ATOM 31 CB ALA 16 31.713 -29.136 -0.634 0.017
-ATOM 32 CA ALA 17 35.029 -30.552 0.236 0.078
-ATOM 33 CB ALA 17 35.015 -30.182 0.913 0.027
-ATOM 34 CA GLY 18 36.417 -33.058 -2.349 0.000
+ATOM 1 CA GLY 1 18.452 -1.401 1.075 0.029
+ATOM 2 CA ALA 2 19.267 -4.758 -0.421 0.013
+ATOM 3 CB ALA 2 19.770 -4.875 0.208 0.019
+ATOM 4 CA ALA 3 16.806 -7.552 -1.264 0.014
+ATOM 5 CB ALA 3 16.797 -7.829 -1.945 0.022
+ATOM 6 CA ALA 4 15.614 -10.296 1.026 0.025
+ATOM 7 CB ALA 4 15.153 -10.093 1.454 0.128
+ATOM 8 CA CYS 5 15.153 -13.715 -0.533 0.004
+ATOM 9 CB CYS 5 16.244 -14.251 -0.837 0.046
+ATOM 10 CA ALA 6 14.127 -15.454 2.734 0.022
+ATOM 11 CB ALA 6 14.778 -15.224 2.925 0.191
+ATOM 12 CA ALA 7 10.429 -14.354 2.313 0.011
+ATOM 13 CB ALA 7 10.586 -13.672 2.198 0.032
+ATOM 14 CA ALA 8 9.023 -17.656 0.968 0.017
+ATOM 15 CB ALA 8 9.246 -17.419 0.315 0.007
+ATOM 16 CA ALA 9 9.822 -20.643 3.102 0.039
+ATOM 17 CB ALA 9 9.581 -20.672 3.758 0.013
+ATOM 18 CA ALA 10 11.660 -23.699 1.768 0.010
+ATOM 19 CB ALA 10 11.274 -23.809 1.222 0.010
+ATOM 20 CA ALA 11 15.327 -23.388 1.054 0.011
+ATOM 21 CB ALA 11 16.047 -23.477 0.853 0.061
+ATOM 22 CA ALA 12 15.765 -20.572 -1.400 0.017
+ATOM 23 CB ALA 12 15.256 -20.098 -1.084 0.058
+ATOM 24 CA ALA 13 19.047 -20.178 -3.395 0.003
+ATOM 25 CB ALA 13 18.732 -20.663 -3.868 0.155
+ATOM 26 CA CYS 14 20.320 -16.831 -2.191 0.043
+ATOM 27 CB CYS 14 19.366 -16.313 -1.389 0.037
+ATOM 28 CA ALA 15 22.884 -17.095 0.642 0.075
+ATOM 29 CB ALA 15 22.911 -17.868 0.515 0.225
+ATOM 30 CA ALA 16 25.217 -14.593 -1.295 0.003
+ATOM 31 CB ALA 16 24.993 -15.114 -1.808 0.042
+ATOM 32 CA ALA 17 25.940 -10.797 -1.293 0.035
+ATOM 33 CB ALA 17 26.547 -10.429 -1.451 0.090
+ATOM 34 CA GLY 18 24.522 -7.307 -2.320 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 591.08 ENERGY -7.72134E+00
+REMARK time 616.69 ENERGY 2.31790E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 4.420 5.838 1.932 0.042
-ATOM 2 CA ALA 2 2.751 2.438 2.361 0.060
-ATOM 3 CB ALA 2 2.501 1.839 2.626 0.110
-ATOM 4 CA ALA 3 4.678 -0.606 1.123 0.032
-ATOM 5 CB ALA 3 4.917 -1.072 1.605 0.116
-ATOM 6 CA ALA 4 2.647 -2.641 -1.461 0.052
-ATOM 7 CB ALA 4 2.178 -2.367 -1.957 0.105
-ATOM 8 CA CYS 5 5.691 -4.824 -1.904 0.022
-ATOM 9 CB CYS 5 6.263 -4.834 -2.989 0.054
-ATOM 10 CA ALA 6 6.451 -8.209 -0.433 0.026
-ATOM 11 CB ALA 6 5.958 -8.736 -0.255 0.018
-ATOM 12 CA ALA 7 9.627 -10.146 -1.172 0.028
-ATOM 13 CB ALA 7 10.301 -9.890 -1.113 0.116
-ATOM 14 CA ALA 8 10.964 -13.513 -0.138 0.011
-ATOM 15 CB ALA 8 10.591 -14.024 -0.398 0.045
-ATOM 16 CA ALA 9 14.628 -14.558 0.462 0.059
-ATOM 17 CB ALA 9 14.536 -14.561 1.219 0.077
-ATOM 18 CA ALA 10 17.171 -16.714 -1.351 0.029
-ATOM 19 CB ALA 10 17.755 -16.284 -1.631 0.031
-ATOM 20 CA ALA 11 19.180 -19.868 -0.521 0.002
-ATOM 21 CB ALA 11 19.012 -20.365 -1.069 0.071
-ATOM 22 CA ALA 12 22.864 -19.545 0.757 0.004
-ATOM 23 CB ALA 12 23.390 -19.368 1.317 0.019
-ATOM 24 CA ALA 13 25.828 -21.702 -0.340 0.009
-ATOM 25 CB ALA 13 26.286 -21.128 -0.483 0.080
-ATOM 26 CA CYS 14 27.540 -24.680 1.255 0.004
-ATOM 27 CB CYS 14 27.149 -25.648 0.740 0.025
-ATOM 28 CA ALA 15 31.147 -25.858 1.170 0.015
-ATOM 29 CB ALA 15 31.527 -26.228 1.662 0.052
-ATOM 30 CA ALA 16 32.306 -29.152 -0.388 0.072
-ATOM 31 CB ALA 16 32.246 -29.000 -1.157 0.026
-ATOM 32 CA ALA 17 34.523 -31.772 1.287 0.023
-ATOM 33 CB ALA 17 33.905 -32.274 1.217 0.079
-ATOM 34 CA GLY 18 37.570 -33.217 -0.448 0.000
+ATOM 1 CA GLY 1 18.254 -1.829 0.335 0.004
+ATOM 2 CA ALA 2 18.919 -5.249 -1.146 0.019
+ATOM 3 CB ALA 2 19.555 -5.327 -0.714 0.033
+ATOM 4 CA ALA 3 16.074 -7.782 -0.904 0.050
+ATOM 5 CB ALA 3 15.565 -7.886 -1.373 0.010
+ATOM 6 CA ALA 4 16.245 -11.075 0.995 0.026
+ATOM 7 CB ALA 4 16.193 -11.103 1.681 0.048
+ATOM 8 CA CYS 5 15.187 -14.522 -0.171 0.009
+ATOM 9 CB CYS 5 16.076 -15.193 -0.761 0.014
+ATOM 10 CA ALA 6 14.322 -15.645 3.341 0.006
+ATOM 11 CB ALA 6 14.622 -15.217 3.886 0.024
+ATOM 12 CA ALA 7 10.794 -14.223 3.075 0.017
+ATOM 13 CB ALA 7 10.756 -13.571 2.625 0.024
+ATOM 14 CA ALA 8 9.569 -17.558 1.711 0.016
+ATOM 15 CB ALA 8 9.316 -18.166 1.405 0.015
+ATOM 16 CA ALA 9 8.697 -20.837 3.471 0.014
+ATOM 17 CB ALA 9 7.969 -20.542 3.613 0.034
+ATOM 18 CA ALA 10 10.131 -23.431 0.961 0.063
+ATOM 19 CB ALA 10 9.652 -23.650 0.406 0.109
+ATOM 20 CA ALA 11 13.935 -23.302 0.471 0.015
+ATOM 21 CB ALA 11 14.618 -23.572 0.491 0.085
+ATOM 22 CA ALA 12 15.689 -20.919 -1.884 0.025
+ATOM 23 CB ALA 12 15.723 -20.308 -2.212 0.033
+ATOM 24 CA ALA 13 19.468 -20.369 -2.151 0.018
+ATOM 25 CB ALA 13 19.786 -20.771 -2.743 0.101
+ATOM 26 CA CYS 14 20.548 -16.722 -2.477 0.058
+ATOM 27 CB CYS 14 19.657 -16.108 -1.924 0.024
+ATOM 28 CA ALA 15 23.363 -15.864 -0.075 0.003
+ATOM 29 CB ALA 15 23.385 -16.523 0.219 0.112
+ATOM 30 CA ALA 16 26.381 -13.952 -1.413 0.104
+ATOM 31 CB ALA 16 26.363 -13.514 -2.095 0.424
+ATOM 32 CA ALA 17 26.492 -10.115 -1.049 0.004
+ATOM 33 CB ALA 17 26.800 -9.524 -0.691 0.016
+ATOM 34 CA GLY 18 26.305 -6.914 -2.908 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 618.23 ENERGY -6.18934E+00
+REMARK time 643.56 ENERGY 5.99397E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 1.717 5.971 2.782 0.025
-ATOM 2 CA ALA 2 1.454 2.254 2.227 0.048
-ATOM 3 CB ALA 2 1.065 1.845 1.665 0.014
-ATOM 4 CA ALA 3 3.818 -0.385 0.854 0.026
-ATOM 5 CB ALA 3 4.272 -0.935 0.731 0.159
-ATOM 6 CA ALA 4 2.333 -3.036 -1.453 0.006
-ATOM 7 CB ALA 4 2.080 -2.957 -2.106 0.040
-ATOM 8 CA CYS 5 5.586 -5.008 -1.732 0.043
-ATOM 9 CB CYS 5 5.860 -4.504 -2.776 0.002
-ATOM 10 CA ALA 6 7.715 -7.465 0.217 0.079
-ATOM 11 CB ALA 6 7.493 -7.930 0.783 0.025
-ATOM 12 CA ALA 7 10.995 -9.137 -0.478 0.037
-ATOM 13 CB ALA 7 11.317 -8.741 0.034 0.099
-ATOM 14 CA ALA 8 11.772 -12.831 -0.864 0.032
-ATOM 15 CB ALA 8 11.782 -12.645 -1.618 0.042
-ATOM 16 CA ALA 9 14.837 -14.737 0.409 0.043
-ATOM 17 CB ALA 9 14.998 -15.179 1.011 0.013
-ATOM 18 CA ALA 10 17.324 -17.148 -1.126 0.044
-ATOM 19 CB ALA 10 17.481 -16.651 -1.678 0.074
-ATOM 20 CA ALA 11 19.607 -19.523 0.718 0.010
-ATOM 21 CB ALA 11 19.677 -20.216 0.629 0.074
-ATOM 22 CA ALA 12 23.397 -19.522 0.082 0.002
-ATOM 23 CB ALA 12 23.322 -19.272 0.811 0.091
-ATOM 24 CA ALA 13 25.666 -22.229 -1.194 0.013
-ATOM 25 CB ALA 13 26.067 -21.863 -1.907 0.084
-ATOM 26 CA CYS 14 27.620 -25.015 0.472 0.008
-ATOM 27 CB CYS 14 26.908 -25.730 1.083 0.042
-ATOM 28 CA ALA 15 31.285 -25.973 -0.509 0.014
-ATOM 29 CB ALA 15 31.926 -25.605 -0.123 0.200
-ATOM 30 CA ALA 16 32.652 -29.486 -0.469 0.021
-ATOM 31 CB ALA 16 33.009 -30.066 -0.839 0.062
-ATOM 32 CA ALA 17 34.016 -32.038 1.984 0.018
-ATOM 33 CB ALA 17 33.677 -32.004 2.655 0.077
-ATOM 34 CA GLY 18 36.403 -34.824 0.891 0.000
+ATOM 1 CA GLY 1 17.741 -2.110 -1.748 0.018
+ATOM 2 CA ALA 2 16.973 -5.838 -1.843 0.018
+ATOM 3 CB ALA 2 17.394 -6.284 -2.326 0.034
+ATOM 4 CA ALA 3 15.697 -8.041 0.997 0.021
+ATOM 5 CB ALA 3 15.014 -7.707 0.789 0.049
+ATOM 6 CA ALA 4 16.629 -11.613 1.915 0.012
+ATOM 7 CB ALA 4 16.869 -11.241 2.548 0.086
+ATOM 8 CA CYS 5 16.044 -15.302 1.057 0.044
+ATOM 9 CB CYS 5 16.978 -15.739 0.457 0.031
+ATOM 10 CA ALA 6 14.376 -16.032 4.410 0.008
+ATOM 11 CB ALA 6 14.762 -15.934 5.023 0.026
+ATOM 12 CA ALA 7 11.249 -13.899 3.573 0.033
+ATOM 13 CB ALA 7 11.036 -13.213 3.283 0.042
+ATOM 14 CA ALA 8 9.906 -16.456 1.144 0.009
+ATOM 15 CB ALA 8 10.254 -16.049 0.713 0.094
+ATOM 16 CA ALA 9 8.386 -20.006 1.233 0.005
+ATOM 17 CB ALA 9 7.655 -20.065 1.513 0.012
+ATOM 18 CA ALA 10 10.245 -22.764 -0.797 0.067
+ATOM 19 CB ALA 10 9.942 -22.787 -1.447 0.016
+ATOM 20 CA ALA 11 13.729 -23.235 0.659 0.001
+ATOM 21 CB ALA 11 13.633 -23.932 0.376 0.045
+ATOM 22 CA ALA 12 16.327 -20.993 -1.048 0.018
+ATOM 23 CB ALA 12 15.961 -20.349 -1.042 0.127
+ATOM 24 CA ALA 13 20.030 -21.005 -0.440 0.038
+ATOM 25 CB ALA 13 20.478 -21.425 -0.894 0.042
+ATOM 26 CA CYS 14 20.494 -17.936 -2.700 0.018
+ATOM 27 CB CYS 14 19.410 -17.596 -2.045 0.101
+ATOM 28 CA ALA 15 22.463 -14.961 -1.154 0.006
+ATOM 29 CB ALA 15 22.850 -15.219 -0.498 0.240
+ATOM 30 CA ALA 16 24.133 -11.819 -2.630 0.043
+ATOM 31 CB ALA 16 24.155 -11.076 -2.575 0.116
+ATOM 32 CA ALA 17 27.789 -10.743 -2.146 0.012
+ATOM 33 CB ALA 17 28.457 -10.776 -2.252 0.053
+ATOM 34 CA GLY 18 28.812 -7.222 -0.996 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 645.34 ENERGY -3.72360E+00
+REMARK time 673.56 ENERGY -4.82481E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 1.064 5.227 2.342 0.023
-ATOM 2 CA ALA 2 1.718 1.467 2.604 0.018
-ATOM 3 CB ALA 2 1.446 0.866 2.915 0.046
-ATOM 4 CA ALA 3 3.253 -1.109 0.266 0.075
-ATOM 5 CB ALA 3 3.853 -0.992 0.667 0.031
-ATOM 6 CA ALA 4 2.276 -4.017 -1.964 0.004
-ATOM 7 CB ALA 4 1.885 -4.005 -2.662 0.063
-ATOM 8 CA CYS 5 5.787 -5.434 -2.219 0.028
-ATOM 9 CB CYS 5 6.399 -6.101 -3.094 0.021
-ATOM 10 CA ALA 6 7.367 -7.776 0.263 0.009
-ATOM 11 CB ALA 6 6.919 -8.430 0.431 0.079
-ATOM 12 CA ALA 7 10.957 -8.891 0.791 0.004
-ATOM 13 CB ALA 7 11.553 -8.689 1.166 0.020
-ATOM 14 CA ALA 8 12.582 -11.885 -0.729 0.018
-ATOM 15 CB ALA 8 12.956 -11.380 -1.238 0.002
-ATOM 16 CA ALA 9 15.323 -13.907 0.887 0.013
-ATOM 17 CB ALA 9 15.140 -14.622 1.116 0.421
-ATOM 18 CA ALA 10 18.969 -14.431 0.249 0.021
-ATOM 19 CB ALA 10 19.342 -14.166 0.882 0.082
-ATOM 20 CA ALA 11 20.803 -17.308 -1.393 0.025
-ATOM 21 CB ALA 11 20.796 -16.750 -1.937 0.026
-ATOM 22 CA ALA 12 23.398 -19.820 -0.142 0.031
-ATOM 23 CB ALA 12 23.112 -20.060 0.432 0.071
-ATOM 24 CA ALA 13 25.306 -22.703 -1.966 0.053
-ATOM 25 CB ALA 13 25.726 -22.218 -2.202 0.017
-ATOM 26 CA CYS 14 26.918 -25.117 0.362 0.076
-ATOM 27 CB CYS 14 26.534 -25.298 1.580 0.061
-ATOM 28 CA ALA 15 29.417 -27.725 -0.882 0.027
-ATOM 29 CB ALA 15 29.972 -27.556 -1.382 0.029
-ATOM 30 CA ALA 16 31.207 -30.636 0.721 0.026
-ATOM 31 CB ALA 16 31.003 -31.365 0.799 0.027
-ATOM 32 CA ALA 17 34.961 -31.278 1.193 0.015
-ATOM 33 CB ALA 17 34.712 -30.658 1.551 0.044
-ATOM 34 CA GLY 18 36.387 -34.733 1.976 0.000
+ATOM 1 CA GLY 1 18.163 -2.271 -0.079 0.009
+ATOM 2 CA ALA 2 17.129 -5.408 -1.902 0.019
+ATOM 3 CB ALA 2 17.860 -5.542 -2.197 0.091
+ATOM 4 CA ALA 3 15.029 -7.909 -0.079 0.018
+ATOM 5 CB ALA 3 14.256 -7.724 -0.195 0.119
+ATOM 6 CA ALA 4 15.784 -11.423 1.288 0.036
+ATOM 7 CB ALA 4 15.744 -11.312 2.011 0.043
+ATOM 8 CA CYS 5 15.203 -15.105 0.560 0.003
+ATOM 9 CB CYS 5 16.348 -15.650 0.309 0.045
+ATOM 10 CA ALA 6 13.639 -16.063 3.842 0.005
+ATOM 11 CB ALA 6 13.988 -15.832 4.413 0.071
+ATOM 12 CA ALA 7 10.378 -14.321 2.943 0.008
+ATOM 13 CB ALA 7 10.195 -13.816 2.416 0.003
+ATOM 14 CA ALA 8 9.290 -17.450 0.953 0.017
+ATOM 15 CB ALA 8 9.628 -17.377 0.242 0.024
+ATOM 16 CA ALA 9 8.234 -20.811 2.357 0.029
+ATOM 17 CB ALA 9 7.558 -20.865 2.402 0.019
+ATOM 18 CA ALA 10 10.318 -22.603 -0.174 0.007
+ATOM 19 CB ALA 10 10.597 -21.910 -0.593 0.152
+ATOM 20 CA ALA 11 14.009 -23.224 0.371 0.051
+ATOM 21 CB ALA 11 14.102 -23.930 0.506 0.115
+ATOM 22 CA ALA 12 16.070 -20.804 -1.674 0.082
+ATOM 23 CB ALA 12 15.905 -20.178 -1.464 0.049
+ATOM 24 CA ALA 13 19.735 -20.261 -1.226 0.007
+ATOM 25 CB ALA 13 20.254 -20.781 -1.255 0.070
+ATOM 26 CA CYS 14 20.903 -16.729 -1.238 0.072
+ATOM 27 CB CYS 14 20.108 -15.973 -0.652 0.053
+ATOM 28 CA ALA 15 24.442 -15.405 -0.499 0.074
+ATOM 29 CB ALA 15 24.886 -15.626 -1.013 0.005
+ATOM 30 CA ALA 16 25.633 -11.864 -0.248 0.010
+ATOM 31 CB ALA 16 25.933 -11.634 0.321 0.021
+ATOM 32 CA ALA 17 27.017 -10.300 -3.391 0.010
+ATOM 33 CB ALA 17 27.013 -9.589 -3.450 0.078
+ATOM 34 CA GLY 18 30.709 -11.026 -3.472 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 666.31 ENERGY -4.48606E+00
+REMARK time 698.29 ENERGY -1.18668E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 1.399 4.727 1.285 0.002
-ATOM 2 CA ALA 2 1.369 1.114 2.388 0.009
-ATOM 3 CB ALA 2 0.605 0.837 2.488 0.027
-ATOM 4 CA ALA 3 3.209 -1.661 0.675 0.005
-ATOM 5 CB ALA 3 3.827 -1.764 1.137 0.005
-ATOM 6 CA ALA 4 2.040 -4.154 -1.827 0.006
-ATOM 7 CB ALA 4 1.591 -4.000 -2.462 0.021
-ATOM 8 CA CYS 5 5.504 -5.778 -1.935 0.020
-ATOM 9 CB CYS 5 6.116 -5.129 -2.866 0.012
-ATOM 10 CA ALA 6 7.504 -8.182 0.181 0.038
-ATOM 11 CB ALA 6 7.163 -8.835 0.228 0.059
-ATOM 12 CA ALA 7 11.133 -9.087 0.634 0.015
-ATOM 13 CB ALA 7 11.332 -8.715 1.250 0.055
-ATOM 14 CA ALA 8 13.678 -11.617 -0.598 0.016
-ATOM 15 CB ALA 8 13.911 -11.487 -1.226 0.078
-ATOM 16 CA ALA 9 16.615 -13.072 1.229 0.002
-ATOM 17 CB ALA 9 16.542 -13.557 1.860 0.038
-ATOM 18 CA ALA 10 19.409 -14.271 -0.979 0.011
-ATOM 19 CB ALA 10 19.851 -13.864 -0.743 0.034
-ATOM 20 CA ALA 11 20.691 -17.824 -1.287 0.008
-ATOM 21 CB ALA 11 20.468 -18.078 -1.941 0.129
-ATOM 22 CA ALA 12 23.041 -19.812 0.966 0.062
-ATOM 23 CB ALA 12 23.053 -19.854 1.806 0.106
-ATOM 24 CA ALA 13 24.993 -22.083 -1.280 0.105
-ATOM 25 CB ALA 13 25.538 -21.901 -1.788 0.028
-ATOM 26 CA CYS 14 27.184 -24.768 0.232 0.046
-ATOM 27 CB CYS 14 26.701 -25.721 0.823 0.021
-ATOM 28 CA ALA 15 29.263 -27.641 -1.190 0.046
-ATOM 29 CB ALA 15 29.841 -27.310 -1.566 0.135
-ATOM 30 CA ALA 16 30.323 -30.895 0.491 0.036
-ATOM 31 CB ALA 16 30.406 -31.564 0.543 0.015
-ATOM 32 CA ALA 17 34.122 -31.067 1.264 0.007
-ATOM 33 CB ALA 17 34.434 -30.938 1.993 0.006
-ATOM 34 CA GLY 18 36.328 -34.080 1.973 0.000
+ATOM 1 CA GLY 1 17.315 -1.860 -1.920 0.033
+ATOM 2 CA ALA 2 18.475 -4.932 0.169 0.050
+ATOM 3 CB ALA 2 18.944 -4.985 0.820 0.046
+ATOM 4 CA ALA 3 15.809 -7.591 -0.298 0.038
+ATOM 5 CB ALA 3 15.489 -7.867 -0.918 0.071
+ATOM 6 CA ALA 4 15.580 -11.018 1.385 0.020
+ATOM 7 CB ALA 4 15.334 -10.701 2.083 0.113
+ATOM 8 CA CYS 5 15.197 -14.679 0.384 0.016
+ATOM 9 CB CYS 5 16.364 -15.231 0.290 0.011
+ATOM 10 CA ALA 6 13.126 -15.226 3.478 0.080
+ATOM 11 CB ALA 6 12.955 -14.664 3.939 0.124
+ATOM 12 CA ALA 7 9.862 -14.411 1.589 0.006
+ATOM 13 CB ALA 7 9.492 -13.834 1.398 0.032
+ATOM 14 CA ALA 8 9.443 -18.069 0.776 0.007
+ATOM 15 CB ALA 8 9.936 -18.201 0.281 0.046
+ATOM 16 CA ALA 9 7.853 -21.142 2.283 0.024
+ATOM 17 CB ALA 9 7.090 -21.243 2.195 0.113
+ATOM 18 CA ALA 10 10.773 -23.351 1.187 0.018
+ATOM 19 CB ALA 10 10.502 -22.979 0.573 0.006
+ATOM 20 CA ALA 11 14.519 -23.474 1.925 0.017
+ATOM 21 CB ALA 11 14.582 -24.176 1.680 0.063
+ATOM 22 CA ALA 12 16.137 -21.842 -1.049 0.054
+ATOM 23 CB ALA 12 15.714 -21.462 -1.587 0.011
+ATOM 24 CA ALA 13 19.551 -20.085 -0.990 0.029
+ATOM 25 CB ALA 13 20.095 -20.597 -1.203 0.030
+ATOM 26 CA CYS 14 20.392 -16.394 -1.647 0.034
+ATOM 27 CB CYS 14 19.681 -15.738 -0.879 0.021
+ATOM 28 CA ALA 15 23.588 -15.163 -3.364 0.015
+ATOM 29 CB ALA 15 23.658 -14.861 -4.004 0.149
+ATOM 30 CA ALA 16 26.511 -13.387 -1.746 0.000
+ATOM 31 CB ALA 16 27.147 -13.655 -1.531 0.014
+ATOM 32 CA ALA 17 27.162 -9.651 -1.977 0.022
+ATOM 33 CB ALA 17 26.854 -9.131 -1.561 0.028
+ATOM 34 CA GLY 18 30.932 -9.867 -1.508 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 694.15 ENERGY -1.06064E+01
+REMARK time 722.22 ENERGY 2.95427E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 1.674 4.548 2.883 0.006
-ATOM 2 CA ALA 2 0.658 0.984 2.046 0.016
-ATOM 3 CB ALA 2 -0.036 0.825 1.827 0.024
-ATOM 4 CA ALA 3 2.840 -1.449 0.144 0.008
-ATOM 5 CB ALA 3 3.531 -1.489 0.366 0.018
-ATOM 6 CA ALA 4 1.903 -4.837 -1.441 0.010
-ATOM 7 CB ALA 4 1.409 -4.868 -2.059 0.020
-ATOM 8 CA CYS 5 5.535 -5.602 -2.195 0.042
-ATOM 9 CB CYS 5 5.967 -5.741 -3.352 0.015
-ATOM 10 CA ALA 6 7.840 -7.109 0.337 0.032
-ATOM 11 CB ALA 6 7.537 -7.417 0.908 0.045
-ATOM 12 CA ALA 7 11.417 -8.252 0.315 0.021
-ATOM 13 CB ALA 7 11.829 -7.709 0.638 0.053
-ATOM 14 CA ALA 8 13.113 -11.623 0.054 0.007
-ATOM 15 CB ALA 8 12.784 -11.814 -0.562 0.033
-ATOM 16 CA ALA 9 16.624 -12.432 1.402 0.026
-ATOM 17 CB ALA 9 16.740 -12.455 2.216 0.191
-ATOM 18 CA ALA 10 18.946 -14.524 -0.822 0.011
-ATOM 19 CB ALA 10 19.538 -14.330 -1.264 0.033
-ATOM 20 CA ALA 11 20.862 -17.766 -0.052 0.037
-ATOM 21 CB ALA 11 20.702 -18.479 -0.020 0.132
-ATOM 22 CA ALA 12 24.153 -19.600 -0.870 0.011
-ATOM 23 CB ALA 12 24.417 -18.964 -0.564 0.184
-ATOM 24 CA ALA 13 24.975 -23.067 -1.903 0.016
-ATOM 25 CB ALA 13 24.960 -23.067 -2.700 0.055
-ATOM 26 CA CYS 14 26.705 -25.567 0.389 0.038
-ATOM 27 CB CYS 14 26.286 -25.981 1.520 0.088
-ATOM 28 CA ALA 15 30.128 -26.946 -0.207 0.022
-ATOM 29 CB ALA 15 30.600 -26.474 -0.172 0.180
-ATOM 30 CA ALA 16 31.771 -30.311 -0.683 0.021
-ATOM 31 CB ALA 16 32.021 -30.267 -1.376 0.114
-ATOM 32 CA ALA 17 32.946 -32.409 2.226 0.013
-ATOM 33 CB ALA 17 33.095 -32.632 2.870 0.062
-ATOM 34 CA GLY 18 36.135 -34.286 1.452 0.000
+ATOM 1 CA GLY 1 18.441 -0.756 0.671 0.023
+ATOM 2 CA ALA 2 18.935 -4.558 0.882 0.065
+ATOM 3 CB ALA 2 19.107 -4.503 1.631 0.083
+ATOM 4 CA ALA 3 17.647 -7.744 -0.786 0.013
+ATOM 5 CB ALA 3 18.051 -8.175 -1.269 0.039
+ATOM 6 CA ALA 4 15.923 -10.918 0.288 0.031
+ATOM 7 CB ALA 4 15.326 -10.677 0.789 0.069
+ATOM 8 CA CYS 5 15.636 -14.723 -0.401 0.038
+ATOM 9 CB CYS 5 16.674 -15.461 -0.404 0.033
+ATOM 10 CA ALA 6 13.092 -15.336 2.384 0.005
+ATOM 11 CB ALA 6 12.563 -15.008 2.847 0.057
+ATOM 12 CA ALA 7 9.780 -14.618 0.712 0.002
+ATOM 13 CB ALA 7 9.697 -14.373 -0.023 0.010
+ATOM 14 CA ALA 8 8.878 -18.222 0.949 0.031
+ATOM 15 CB ALA 8 9.271 -18.820 0.662 0.037
+ATOM 16 CA ALA 9 8.325 -20.766 3.808 0.035
+ATOM 17 CB ALA 9 7.800 -21.099 4.185 0.143
+ATOM 18 CA ALA 10 11.340 -22.800 2.567 0.004
+ATOM 19 CB ALA 10 11.743 -23.172 2.066 0.030
+ATOM 20 CA ALA 11 14.728 -21.349 1.565 0.010
+ATOM 21 CB ALA 11 15.268 -20.968 1.949 0.099
+ATOM 22 CA ALA 12 16.759 -22.663 -1.277 0.045
+ATOM 23 CB ALA 12 16.036 -22.511 -1.499 0.042
+ATOM 24 CA ALA 13 19.996 -21.175 -2.322 0.006
+ATOM 25 CB ALA 13 20.533 -21.581 -2.543 0.070
+ATOM 26 CA CYS 14 19.739 -17.485 -3.268 0.036
+ATOM 27 CB CYS 14 19.186 -16.588 -2.550 0.033
+ATOM 28 CA ALA 15 22.995 -15.452 -3.168 0.016
+ATOM 29 CB ALA 15 23.182 -15.019 -3.626 0.136
+ATOM 30 CA ALA 16 23.961 -12.857 -0.625 0.007
+ATOM 31 CB ALA 16 24.459 -12.907 -0.131 0.028
+ATOM 32 CA ALA 17 26.525 -10.160 -1.396 0.038
+ATOM 33 CB ALA 17 26.162 -9.508 -1.545 0.037
+ATOM 34 CA GLY 18 28.661 -8.705 1.441 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 720.88 ENERGY -8.37770E+00
+REMARK time 744.61 ENERGY 1.06321E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.135 4.577 0.678 0.005
-ATOM 2 CA ALA 2 1.404 1.415 2.110 0.020
-ATOM 3 CB ALA 2 0.947 1.211 2.688 0.004
-ATOM 4 CA ALA 3 3.233 -1.582 0.605 0.040
-ATOM 5 CB ALA 3 3.946 -1.703 0.787 0.062
-ATOM 6 CA ALA 4 1.808 -4.816 -0.657 0.014
-ATOM 7 CB ALA 4 1.441 -4.702 -1.306 0.075
-ATOM 8 CA CYS 5 5.230 -6.202 -1.632 0.017
-ATOM 9 CB CYS 5 5.807 -5.949 -2.717 0.061
-ATOM 10 CA ALA 6 8.364 -7.321 0.181 0.027
-ATOM 11 CB ALA 6 8.202 -7.673 0.733 0.060
-ATOM 12 CA ALA 7 11.569 -8.770 -1.130 0.017
-ATOM 13 CB ALA 7 12.088 -8.275 -1.108 0.126
-ATOM 14 CA ALA 8 12.979 -12.231 -0.409 0.007
-ATOM 15 CB ALA 8 12.887 -12.746 -0.988 0.037
-ATOM 16 CA ALA 9 16.098 -13.048 1.645 0.012
-ATOM 17 CB ALA 9 16.037 -13.486 2.225 0.105
-ATOM 18 CA ALA 10 19.490 -14.152 0.325 0.006
-ATOM 19 CB ALA 10 20.176 -13.788 0.049 0.101
-ATOM 20 CA ALA 11 20.614 -17.626 -0.389 0.040
-ATOM 21 CB ALA 11 20.314 -17.979 -0.916 0.128
-ATOM 22 CA ALA 12 24.312 -18.666 -0.764 0.019
-ATOM 23 CB ALA 12 24.526 -18.706 0.026 0.106
-ATOM 24 CA ALA 13 25.663 -22.095 -1.674 0.066
-ATOM 25 CB ALA 13 25.957 -21.940 -2.328 0.107
-ATOM 26 CA CYS 14 26.861 -25.004 0.527 0.067
-ATOM 27 CB CYS 14 26.358 -25.959 0.003 0.030
-ATOM 28 CA ALA 15 30.157 -26.947 -0.101 0.007
-ATOM 29 CB ALA 15 30.813 -26.627 -0.223 0.062
-ATOM 30 CA ALA 16 30.204 -30.568 0.715 0.022
-ATOM 31 CB ALA 16 30.079 -31.060 0.283 0.001
-ATOM 32 CA ALA 17 33.729 -31.832 1.577 0.024
-ATOM 33 CB ALA 17 34.199 -31.361 1.882 0.007
-ATOM 34 CA GLY 18 34.558 -35.540 1.133 0.000
+ATOM 1 CA GLY 1 18.745 -2.948 3.543 0.007
+ATOM 2 CA ALA 2 19.724 -5.455 0.763 0.002
+ATOM 3 CB ALA 2 20.181 -6.006 0.869 0.137
+ATOM 4 CA ALA 3 17.025 -7.067 -1.373 0.039
+ATOM 5 CB ALA 3 16.817 -6.986 -2.101 0.087
+ATOM 6 CA ALA 4 16.051 -10.510 -0.269 0.032
+ATOM 7 CB ALA 4 15.954 -10.449 0.515 0.057
+ATOM 8 CA CYS 5 14.971 -13.617 -2.109 0.023
+ATOM 9 CB CYS 5 15.867 -14.441 -2.445 0.013
+ATOM 10 CA ALA 6 13.279 -16.735 -0.864 0.024
+ATOM 11 CB ALA 6 13.881 -17.238 -0.730 0.083
+ATOM 12 CA ALA 7 10.783 -14.885 1.273 0.006
+ATOM 13 CB ALA 7 10.587 -14.175 1.033 0.074
+ATOM 14 CA ALA 8 8.183 -17.545 2.359 0.059
+ATOM 15 CB ALA 8 7.786 -17.837 1.812 0.061
+ATOM 16 CA ALA 9 9.564 -19.984 4.943 0.010
+ATOM 17 CB ALA 9 9.127 -19.550 5.240 0.027
+ATOM 18 CA ALA 10 10.644 -22.913 2.709 0.040
+ATOM 19 CB ALA 10 10.443 -22.794 2.015 0.027
+ATOM 20 CA ALA 11 14.259 -24.132 1.874 0.025
+ATOM 21 CB ALA 11 13.933 -24.785 2.103 0.052
+ATOM 22 CA ALA 12 16.379 -22.450 -0.893 0.018
+ATOM 23 CB ALA 12 15.970 -21.873 -0.794 0.087
+ATOM 24 CA ALA 13 19.804 -20.816 -1.584 0.009
+ATOM 25 CB ALA 13 19.993 -21.219 -2.145 0.048
+ATOM 26 CA CYS 14 20.468 -17.309 -2.927 0.022
+ATOM 27 CB CYS 14 19.243 -16.789 -2.813 0.030
+ATOM 28 CA ALA 15 23.820 -15.529 -2.525 0.043
+ATOM 29 CB ALA 15 24.351 -15.733 -2.983 0.045
+ATOM 30 CA ALA 16 24.400 -12.524 -0.131 0.008
+ATOM 31 CB ALA 16 24.749 -12.663 0.517 0.032
+ATOM 32 CA ALA 17 26.275 -9.239 -0.868 0.013
+ATOM 33 CB ALA 17 25.605 -9.011 -1.108 0.055
+ATOM 34 CA GLY 18 27.806 -6.437 1.241 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 747.24 ENERGY -6.43516E+00
+REMARK time 772.45 ENERGY 2.15107E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 2.302 5.262 0.854 0.011
-ATOM 2 CA ALA 2 2.063 1.563 1.576 0.003
-ATOM 3 CB ALA 2 1.321 1.476 1.782 0.020
-ATOM 4 CA ALA 3 3.291 -1.643 -0.113 0.030
-ATOM 5 CB ALA 3 3.907 -2.101 -0.186 0.021
-ATOM 6 CA ALA 4 1.330 -4.917 -0.131 0.001
-ATOM 7 CB ALA 4 0.856 -4.952 -0.663 0.042
-ATOM 8 CA CYS 5 4.345 -6.976 -1.227 0.012
-ATOM 9 CB CYS 5 5.272 -6.217 -1.554 0.033
-ATOM 10 CA ALA 6 7.169 -8.713 0.519 0.008
-ATOM 11 CB ALA 6 6.784 -9.302 0.379 0.108
-ATOM 12 CA ALA 7 10.903 -8.155 0.041 0.009
-ATOM 13 CB ALA 7 11.387 -8.012 0.574 0.098
-ATOM 14 CA ALA 8 13.129 -10.845 -1.458 0.016
-ATOM 15 CB ALA 8 13.202 -10.532 -2.202 0.006
-ATOM 16 CA ALA 9 15.917 -13.159 0.002 0.032
-ATOM 17 CB ALA 9 15.761 -13.593 0.520 0.057
-ATOM 18 CA ALA 10 19.265 -14.531 -1.051 0.012
-ATOM 19 CB ALA 10 19.896 -14.077 -1.129 0.096
-ATOM 20 CA ALA 11 20.675 -17.926 0.251 0.092
-ATOM 21 CB ALA 11 20.324 -18.602 0.022 0.049
-ATOM 22 CA ALA 12 24.540 -18.336 0.607 0.021
-ATOM 23 CB ALA 12 24.601 -18.449 1.292 0.112
-ATOM 24 CA ALA 13 26.306 -21.050 -1.432 0.015
-ATOM 25 CB ALA 13 26.671 -21.398 -2.045 0.035
-ATOM 26 CA CYS 14 27.859 -24.083 0.412 0.045
-ATOM 27 CB CYS 14 26.977 -24.148 1.231 0.058
-ATOM 28 CA ALA 15 30.361 -26.900 -0.094 0.007
-ATOM 29 CB ALA 15 30.977 -26.590 -0.289 0.215
-ATOM 30 CA ALA 16 30.996 -30.621 0.572 0.023
-ATOM 31 CB ALA 16 30.466 -31.035 0.350 0.049
-ATOM 32 CA ALA 17 33.462 -33.508 0.980 0.048
-ATOM 33 CB ALA 17 33.780 -33.060 1.547 0.027
-ATOM 34 CA GLY 18 33.432 -37.257 0.234 0.000
+ATOM 1 CA GLY 1 20.263 -1.182 1.287 0.002
+ATOM 2 CA ALA 2 20.237 -4.935 0.727 0.011
+ATOM 3 CB ALA 2 20.823 -5.383 0.716 0.001
+ATOM 4 CA ALA 3 16.952 -6.940 0.652 0.015
+ATOM 5 CB ALA 3 16.387 -6.595 0.278 0.012
+ATOM 6 CA ALA 4 16.482 -10.614 1.325 0.004
+ATOM 7 CB ALA 4 16.248 -11.077 1.848 0.027
+ATOM 8 CA CYS 5 16.112 -13.436 -1.126 0.029
+ATOM 9 CB CYS 5 17.178 -13.907 -1.519 0.025
+ATOM 10 CA ALA 6 13.644 -16.164 -0.131 0.025
+ATOM 11 CB ALA 6 13.858 -16.845 -0.007 0.161
+ATOM 12 CA ALA 7 9.964 -15.283 0.459 0.029
+ATOM 13 CB ALA 7 9.837 -14.710 0.024 0.011
+ATOM 14 CA ALA 8 8.405 -18.679 0.617 0.022
+ATOM 15 CB ALA 8 8.748 -19.197 0.148 0.042
+ATOM 16 CA ALA 9 8.257 -20.661 3.805 0.004
+ATOM 17 CB ALA 9 7.563 -20.943 3.907 0.030
+ATOM 18 CA ALA 10 10.603 -23.358 2.590 0.048
+ATOM 19 CB ALA 10 10.566 -23.884 1.891 0.143
+ATOM 20 CA ALA 11 14.400 -23.025 2.682 0.029
+ATOM 21 CB ALA 11 14.540 -23.724 2.770 0.028
+ATOM 22 CA ALA 12 16.245 -22.155 -0.479 0.038
+ATOM 23 CB ALA 12 15.971 -22.123 -1.070 0.044
+ATOM 24 CA ALA 13 19.826 -20.544 -0.410 0.005
+ATOM 25 CB ALA 13 19.353 -20.349 -0.811 0.166
+ATOM 26 CA CYS 14 20.022 -17.566 -2.867 0.044
+ATOM 27 CB CYS 14 19.365 -16.638 -2.478 0.074
+ATOM 28 CA ALA 15 23.273 -15.781 -3.246 0.061
+ATOM 29 CB ALA 15 23.565 -15.722 -3.957 0.195
+ATOM 30 CA ALA 16 24.565 -12.891 -1.170 0.004
+ATOM 31 CB ALA 16 25.189 -13.233 -1.037 0.027
+ATOM 32 CA ALA 17 24.755 -9.051 -1.153 0.039
+ATOM 33 CB ALA 17 24.397 -8.653 -0.756 0.060
+ATOM 34 CA GLY 18 28.026 -7.220 -0.661 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 771.17 ENERGY 4.80061E-01
+REMARK time 797.83 ENERGY -4.29678E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 5.556 3.822 -0.083 0.021
-ATOM 2 CA ALA 2 2.796 1.325 0.715 0.017
-ATOM 3 CB ALA 2 2.230 1.586 0.250 0.011
-ATOM 4 CA ALA 3 3.678 -2.326 1.445 0.010
-ATOM 5 CB ALA 3 4.100 -1.973 1.938 0.002
-ATOM 6 CA ALA 4 1.584 -5.501 1.045 0.007
-ATOM 7 CB ALA 4 1.063 -5.117 0.588 0.055
-ATOM 8 CA CYS 5 3.956 -7.052 -1.432 0.009
-ATOM 9 CB CYS 5 4.383 -6.580 -2.469 0.019
-ATOM 10 CA ALA 6 7.093 -8.207 0.442 0.012
-ATOM 11 CB ALA 6 7.010 -8.638 1.010 0.053
-ATOM 12 CA ALA 7 10.711 -8.436 -0.700 0.013
-ATOM 13 CB ALA 7 11.372 -8.153 -0.584 0.025
-ATOM 14 CA ALA 8 12.943 -11.370 -1.683 0.024
-ATOM 15 CB ALA 8 12.944 -11.546 -2.418 0.150
-ATOM 16 CA ALA 9 15.724 -13.184 0.157 0.041
-ATOM 17 CB ALA 9 15.559 -13.622 0.652 0.090
-ATOM 18 CA ALA 10 18.774 -14.656 -1.668 0.011
-ATOM 19 CB ALA 10 19.474 -14.529 -1.717 0.314
-ATOM 20 CA ALA 11 20.691 -17.983 -1.142 0.108
-ATOM 21 CB ALA 11 20.120 -18.306 -1.647 0.027
-ATOM 22 CA ALA 12 23.970 -18.949 0.293 0.015
-ATOM 23 CB ALA 12 24.355 -18.913 0.948 0.103
-ATOM 24 CA ALA 13 25.570 -22.309 0.871 0.056
-ATOM 25 CB ALA 13 25.842 -22.617 0.220 0.199
-ATOM 26 CA CYS 14 28.854 -23.779 2.135 0.002
-ATOM 27 CB CYS 14 28.389 -24.045 3.304 0.056
-ATOM 28 CA ALA 15 31.520 -25.882 0.376 0.075
-ATOM 29 CB ALA 15 32.109 -25.666 0.387 0.023
-ATOM 30 CA ALA 16 30.957 -29.179 -1.206 0.010
-ATOM 31 CB ALA 16 31.145 -29.617 -1.805 0.049
-ATOM 32 CA ALA 17 31.476 -32.399 0.744 0.029
-ATOM 33 CB ALA 17 30.899 -32.695 1.132 0.037
-ATOM 34 CA GLY 18 32.250 -35.618 -1.104 0.000
+ATOM 1 CA GLY 1 20.720 -2.618 2.885 0.025
+ATOM 2 CA ALA 2 20.205 -5.382 0.284 0.006
+ATOM 3 CB ALA 2 20.789 -5.680 -0.011 0.036
+ATOM 4 CA ALA 3 16.891 -7.259 0.431 0.025
+ATOM 5 CB ALA 3 16.700 -7.140 -0.292 0.021
+ATOM 6 CA ALA 4 15.841 -10.823 1.399 0.014
+ATOM 7 CB ALA 4 15.419 -11.086 1.944 0.100
+ATOM 8 CA CYS 5 15.346 -13.844 -0.839 0.052
+ATOM 9 CB CYS 5 16.469 -14.333 -0.909 0.021
+ATOM 10 CA ALA 6 13.353 -15.975 1.698 0.049
+ATOM 11 CB ALA 6 13.738 -15.535 2.108 0.022
+ATOM 12 CA ALA 7 10.015 -14.900 0.415 0.019
+ATOM 13 CB ALA 7 10.354 -14.245 0.144 0.070
+ATOM 14 CA ALA 8 8.756 -18.532 0.447 0.008
+ATOM 15 CB ALA 8 9.100 -19.057 0.083 0.024
+ATOM 16 CA ALA 9 7.950 -21.093 3.126 0.019
+ATOM 17 CB ALA 9 7.430 -21.458 3.489 0.050
+ATOM 18 CA ALA 10 10.572 -23.595 1.974 0.007
+ATOM 19 CB ALA 10 9.999 -23.915 2.092 0.109
+ATOM 20 CA ALA 11 13.861 -22.207 0.601 0.020
+ATOM 21 CB ALA 11 14.266 -21.811 1.103 0.082
+ATOM 22 CA ALA 12 17.235 -23.523 -0.688 0.056
+ATOM 23 CB ALA 12 16.819 -23.256 -1.234 0.153
+ATOM 24 CA ALA 13 19.611 -20.628 -0.057 0.025
+ATOM 25 CB ALA 13 20.285 -20.864 0.147 0.080
+ATOM 26 CA CYS 14 19.879 -17.229 -1.604 0.030
+ATOM 27 CB CYS 14 19.101 -16.620 -0.839 0.007
+ATOM 28 CA ALA 15 22.890 -15.215 -2.641 0.040
+ATOM 29 CB ALA 15 23.483 -15.191 -3.163 0.178
+ATOM 30 CA ALA 16 24.197 -11.804 -1.484 0.013
+ATOM 31 CB ALA 16 24.659 -11.974 -0.891 0.080
+ATOM 32 CA ALA 17 26.098 -8.897 -3.158 0.021
+ATOM 33 CB ALA 17 25.435 -8.776 -3.403 0.033
+ATOM 34 CA GLY 18 29.324 -7.252 -1.679 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 795.70 ENERGY 8.32943E+00
+REMARK time 823.33 ENERGY -2.01556E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 5.772 3.936 -0.540 0.020
-ATOM 2 CA ALA 2 3.681 0.740 -0.110 0.009
-ATOM 3 CB ALA 2 3.229 0.184 -0.215 0.050
-ATOM 4 CA ALA 3 4.923 -2.230 1.908 0.029
-ATOM 5 CB ALA 3 5.329 -1.887 2.584 0.044
-ATOM 6 CA ALA 4 2.454 -5.035 1.883 0.007
-ATOM 7 CB ALA 4 1.761 -5.166 1.844 0.011
-ATOM 8 CA CYS 5 3.981 -6.704 -1.268 0.038
-ATOM 9 CB CYS 5 4.187 -5.512 -1.570 0.065
-ATOM 10 CA ALA 6 6.832 -9.288 -0.973 0.046
-ATOM 11 CB ALA 6 6.734 -10.019 -0.869 0.065
-ATOM 12 CA ALA 7 10.424 -9.056 -2.062 0.074
-ATOM 13 CB ALA 7 10.173 -8.884 -1.400 0.224
-ATOM 14 CA ALA 8 12.720 -12.019 -1.811 0.000
-ATOM 15 CB ALA 8 12.891 -12.331 -2.308 0.037
-ATOM 16 CA ALA 9 15.594 -13.364 0.158 0.009
-ATOM 17 CB ALA 9 15.608 -13.449 0.829 0.099
-ATOM 18 CA ALA 10 18.533 -15.301 -1.456 0.007
-ATOM 19 CB ALA 10 18.883 -15.105 -2.071 0.006
-ATOM 20 CA ALA 11 20.440 -17.955 0.333 0.037
-ATOM 21 CB ALA 11 20.395 -18.559 -0.067 0.018
-ATOM 22 CA ALA 12 23.918 -18.000 1.868 0.047
-ATOM 23 CB ALA 12 23.591 -18.148 2.555 0.023
-ATOM 24 CA ALA 13 26.517 -20.241 0.385 0.006
-ATOM 25 CB ALA 13 26.975 -19.801 0.035 0.054
-ATOM 26 CA CYS 14 27.535 -23.839 1.176 0.011
-ATOM 27 CB CYS 14 26.472 -24.418 0.843 0.051
-ATOM 28 CA ALA 15 30.467 -26.220 1.356 0.007
-ATOM 29 CB ALA 15 30.745 -26.681 1.853 0.114
-ATOM 30 CA ALA 16 30.165 -29.597 -0.296 0.001
-ATOM 31 CB ALA 16 30.128 -29.455 -0.915 0.052
-ATOM 32 CA ALA 17 33.102 -31.933 0.141 0.002
-ATOM 33 CB ALA 17 33.727 -32.342 0.406 0.060
-ATOM 34 CA GLY 18 32.810 -35.248 -1.674 0.000
+ATOM 1 CA GLY 1 19.451 -2.343 1.476 0.013
+ATOM 2 CA ALA 2 19.466 -5.839 -0.012 0.017
+ATOM 3 CB ALA 2 20.132 -6.136 -0.148 0.001
+ATOM 4 CA ALA 3 16.532 -8.272 0.033 0.009
+ATOM 5 CB ALA 3 16.147 -8.624 -0.510 0.011
+ATOM 6 CA ALA 4 16.327 -11.600 1.830 0.016
+ATOM 7 CB ALA 4 16.006 -11.652 2.516 0.005
+ATOM 8 CA CYS 5 14.969 -14.752 0.168 0.020
+ATOM 9 CB CYS 5 15.954 -15.468 0.223 0.051
+ATOM 10 CA ALA 6 13.316 -16.055 3.349 0.030
+ATOM 11 CB ALA 6 13.782 -15.870 3.899 0.011
+ATOM 12 CA ALA 7 9.971 -14.539 2.154 0.006
+ATOM 13 CB ALA 7 9.906 -13.836 2.089 0.030
+ATOM 14 CA ALA 8 9.146 -17.530 0.004 0.061
+ATOM 15 CB ALA 8 9.712 -17.660 -0.412 0.026
+ATOM 16 CA ALA 9 7.880 -20.711 1.624 0.018
+ATOM 17 CB ALA 9 7.160 -20.562 1.867 0.102
+ATOM 18 CA ALA 10 10.533 -23.336 0.677 0.005
+ATOM 19 CB ALA 10 10.712 -23.584 -0.008 0.014
+ATOM 20 CA ALA 11 13.882 -21.622 0.421 0.023
+ATOM 21 CB ALA 11 14.052 -21.114 0.975 0.025
+ATOM 22 CA ALA 12 17.166 -23.017 -0.531 0.022
+ATOM 23 CB ALA 12 17.183 -23.103 -1.239 0.132
+ATOM 24 CA ALA 13 19.830 -20.539 0.356 0.037
+ATOM 25 CB ALA 13 20.440 -20.722 0.661 0.122
+ATOM 26 CA CYS 14 20.538 -17.190 -1.158 0.037
+ATOM 27 CB CYS 14 19.538 -16.593 -0.860 0.013
+ATOM 28 CA ALA 15 23.424 -15.069 -2.332 0.034
+ATOM 29 CB ALA 15 23.183 -15.244 -2.961 0.035
+ATOM 30 CA ALA 16 24.115 -11.264 -2.136 0.076
+ATOM 31 CB ALA 16 24.286 -11.625 -1.463 0.051
+ATOM 32 CA ALA 17 26.436 -9.088 -4.149 0.037
+ATOM 33 CB ALA 17 26.391 -8.466 -4.011 0.091
+ATOM 34 CA GLY 18 29.228 -7.683 -1.919 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 818.92 ENERGY 2.41191E+00
+REMARK time 849.18 ENERGY -2.53654E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 6.891 1.374 -2.950 0.048
-ATOM 2 CA ALA 2 4.708 -0.089 -0.220 0.015
-ATOM 3 CB ALA 2 4.022 -0.216 -0.163 0.071
-ATOM 4 CA ALA 3 5.208 -2.296 2.848 0.003
-ATOM 5 CB ALA 3 5.630 -1.803 3.236 0.051
-ATOM 6 CA ALA 4 2.170 -4.447 1.950 0.010
-ATOM 7 CB ALA 4 1.360 -4.483 1.919 0.083
-ATOM 8 CA CYS 5 4.101 -6.110 -0.908 0.011
-ATOM 9 CB CYS 5 4.726 -5.115 -1.341 0.003
-ATOM 10 CA ALA 6 6.648 -8.928 -1.043 0.010
-ATOM 11 CB ALA 6 6.320 -9.504 -1.425 0.180
-ATOM 12 CA ALA 7 10.267 -9.909 -0.485 0.019
-ATOM 13 CB ALA 7 10.105 -9.417 0.002 0.119
-ATOM 14 CA ALA 8 12.628 -11.777 -2.821 0.061
-ATOM 15 CB ALA 8 12.627 -11.462 -3.410 0.039
-ATOM 16 CA ALA 9 14.995 -14.101 -0.908 0.027
-ATOM 17 CB ALA 9 14.667 -14.693 -1.366 0.111
-ATOM 18 CA ALA 10 18.447 -13.670 0.514 0.022
-ATOM 19 CB ALA 10 18.740 -13.233 0.983 0.042
-ATOM 20 CA ALA 11 20.222 -16.948 0.057 0.010
-ATOM 21 CB ALA 11 20.089 -17.254 -0.618 0.103
-ATOM 22 CA ALA 12 23.340 -18.584 1.672 0.008
-ATOM 23 CB ALA 12 23.185 -18.757 2.386 0.035
-ATOM 24 CA ALA 13 25.745 -20.853 -0.151 0.004
-ATOM 25 CB ALA 13 26.369 -20.457 -0.427 0.107
-ATOM 26 CA CYS 14 26.828 -24.438 0.810 0.013
-ATOM 27 CB CYS 14 26.438 -24.790 1.919 0.021
-ATOM 28 CA ALA 15 29.853 -26.321 -0.430 0.005
-ATOM 29 CB ALA 15 30.408 -26.482 0.009 0.238
-ATOM 30 CA ALA 16 30.449 -30.016 0.233 0.016
-ATOM 31 CB ALA 16 29.946 -30.334 -0.402 0.065
-ATOM 32 CA ALA 17 33.674 -31.833 0.737 0.016
-ATOM 33 CB ALA 17 33.568 -32.361 1.379 0.167
-ATOM 34 CA GLY 18 35.748 -33.328 -2.062 0.000
+ATOM 1 CA GLY 1 18.970 -2.671 -1.606 0.006
+ATOM 2 CA ALA 2 18.279 -6.360 -0.980 0.004
+ATOM 3 CB ALA 2 18.798 -6.786 -0.759 0.014
+ATOM 4 CA ALA 3 15.480 -8.207 0.716 0.029
+ATOM 5 CB ALA 3 14.802 -8.302 0.319 0.025
+ATOM 6 CA ALA 4 15.851 -11.475 2.646 0.005
+ATOM 7 CB ALA 4 15.774 -11.517 3.419 0.046
+ATOM 8 CA CYS 5 15.514 -14.919 1.010 0.027
+ATOM 9 CB CYS 5 16.766 -14.808 1.056 0.014
+ATOM 10 CA ALA 6 13.305 -16.217 3.825 0.070
+ATOM 11 CB ALA 6 13.257 -16.160 4.561 0.061
+ATOM 12 CA ALA 7 10.307 -14.164 2.598 0.016
+ATOM 13 CB ALA 7 10.287 -13.541 2.179 0.048
+ATOM 14 CA ALA 8 9.224 -17.101 0.416 0.058
+ATOM 15 CB ALA 8 9.521 -17.093 -0.301 0.033
+ATOM 16 CA ALA 9 7.999 -20.457 1.582 0.037
+ATOM 17 CB ALA 9 7.697 -21.130 1.528 0.047
+ATOM 18 CA ALA 10 10.391 -22.791 -0.143 0.044
+ATOM 19 CB ALA 10 10.685 -23.070 -0.823 0.126
+ATOM 20 CA ALA 11 14.116 -22.077 0.490 0.004
+ATOM 21 CB ALA 11 14.188 -22.348 1.102 0.028
+ATOM 22 CA ALA 12 16.759 -22.365 -2.264 0.031
+ATOM 23 CB ALA 12 16.690 -21.804 -2.747 0.141
+ATOM 24 CA ALA 13 19.794 -20.541 -0.815 0.055
+ATOM 25 CB ALA 13 20.540 -20.725 -0.815 0.081
+ATOM 26 CA CYS 14 20.574 -16.790 -1.011 0.035
+ATOM 27 CB CYS 14 19.716 -15.996 -0.607 0.044
+ATOM 28 CA ALA 15 24.197 -15.538 -0.675 0.021
+ATOM 29 CB ALA 15 24.854 -15.461 -1.019 0.368
+ATOM 30 CA ALA 16 25.343 -11.932 -0.882 0.003
+ATOM 31 CB ALA 16 25.486 -11.453 -0.555 0.044
+ATOM 32 CA ALA 17 26.736 -10.349 -4.043 0.023
+ATOM 33 CB ALA 17 26.077 -10.750 -4.124 0.030
+ATOM 34 CA GLY 18 28.002 -6.872 -3.832 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 845.18 ENERGY -2.87657E-01
+REMARK time 877.79 ENERGY -1.45207E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 9.196 0.834 -1.737 0.000
-ATOM 2 CA ALA 2 5.576 0.485 -0.697 0.003
-ATOM 3 CB ALA 2 5.029 0.114 -0.982 0.053
-ATOM 4 CA ALA 3 4.717 -1.605 2.414 0.006
-ATOM 5 CB ALA 3 4.378 -1.181 2.887 0.023
-ATOM 6 CA ALA 4 1.729 -3.901 1.737 0.040
-ATOM 7 CB ALA 4 1.061 -3.836 1.359 0.063
-ATOM 8 CA CYS 5 3.674 -5.939 -0.858 0.019
-ATOM 9 CB CYS 5 4.526 -5.073 -0.795 0.056
-ATOM 10 CA ALA 6 6.076 -8.910 -0.627 0.034
-ATOM 11 CB ALA 6 6.296 -9.173 -1.303 0.042
-ATOM 12 CA ALA 7 9.765 -9.109 0.143 0.067
-ATOM 13 CB ALA 7 9.898 -9.019 0.836 0.016
-ATOM 14 CA ALA 8 12.620 -10.920 -1.662 0.027
-ATOM 15 CB ALA 8 13.191 -11.157 -2.066 0.042
-ATOM 16 CA ALA 9 14.732 -13.190 0.355 0.026
-ATOM 17 CB ALA 9 14.078 -13.603 0.362 0.077
-ATOM 18 CA ALA 10 17.635 -15.041 -1.402 0.034
-ATOM 19 CB ALA 10 18.363 -15.123 -1.642 0.072
-ATOM 20 CA ALA 11 18.997 -18.488 -0.310 0.056
-ATOM 21 CB ALA 11 18.774 -19.244 -0.408 0.087
-ATOM 22 CA ALA 12 22.392 -19.786 0.833 0.025
-ATOM 23 CB ALA 12 22.096 -20.023 1.486 0.172
-ATOM 24 CA ALA 13 25.548 -21.244 -0.672 0.011
-ATOM 25 CB ALA 13 26.033 -20.670 -0.916 0.125
-ATOM 26 CA CYS 14 26.915 -24.594 0.352 0.005
-ATOM 27 CB CYS 14 26.754 -25.701 -0.123 0.068
-ATOM 28 CA ALA 15 30.598 -25.627 0.280 0.016
-ATOM 29 CB ALA 15 30.580 -25.062 0.887 0.052
-ATOM 30 CA ALA 16 31.624 -29.317 0.430 0.067
-ATOM 31 CB ALA 16 31.529 -29.464 -0.227 0.011
-ATOM 32 CA ALA 17 34.822 -31.271 0.869 0.004
-ATOM 33 CB ALA 17 35.142 -31.312 1.526 0.007
-ATOM 34 CA GLY 18 35.971 -34.945 0.258 0.000
+ATOM 1 CA GLY 1 16.785 -2.082 -1.324 0.002
+ATOM 2 CA ALA 2 17.785 -5.669 -1.881 0.018
+ATOM 3 CB ALA 2 18.500 -5.450 -2.006 0.017
+ATOM 4 CA ALA 3 16.212 -8.535 0.005 0.015
+ATOM 5 CB ALA 3 15.518 -8.862 0.183 0.077
+ATOM 6 CA ALA 4 17.310 -12.129 0.810 0.030
+ATOM 7 CB ALA 4 17.255 -12.175 1.528 0.026
+ATOM 8 CA CYS 5 15.420 -15.232 -0.310 0.017
+ATOM 9 CB CYS 5 16.374 -15.824 -0.876 0.107
+ATOM 10 CA ALA 6 14.123 -16.203 3.149 0.039
+ATOM 11 CB ALA 6 14.780 -16.050 3.419 0.001
+ATOM 12 CA ALA 7 10.981 -14.110 2.664 0.010
+ATOM 13 CB ALA 7 11.156 -13.393 2.423 0.084
+ATOM 14 CA ALA 8 9.136 -17.077 1.316 0.007
+ATOM 15 CB ALA 8 9.219 -17.478 0.683 0.023
+ATOM 16 CA ALA 9 7.742 -20.486 2.531 0.015
+ATOM 17 CB ALA 9 7.048 -20.303 2.718 0.050
+ATOM 18 CA ALA 10 9.712 -22.386 -0.195 0.059
+ATOM 19 CB ALA 10 9.296 -22.030 -0.584 0.094
+ATOM 20 CA ALA 11 13.453 -23.367 0.166 0.062
+ATOM 21 CB ALA 11 13.894 -24.000 0.026 0.025
+ATOM 22 CA ALA 12 16.221 -20.816 -0.300 0.018
+ATOM 23 CB ALA 12 15.916 -20.716 0.318 0.059
+ATOM 24 CA ALA 13 19.994 -21.065 -0.740 0.013
+ATOM 25 CB ALA 13 20.678 -21.026 -0.567 0.036
+ATOM 26 CA CYS 14 21.007 -17.452 -1.471 0.011
+ATOM 27 CB CYS 14 19.935 -16.956 -1.123 0.030
+ATOM 28 CA ALA 15 24.284 -15.689 -0.914 0.010
+ATOM 29 CB ALA 15 24.872 -16.027 -1.112 0.089
+ATOM 30 CA ALA 16 25.257 -11.979 -0.171 0.028
+ATOM 31 CB ALA 16 25.714 -12.050 0.439 0.127
+ATOM 32 CA ALA 17 26.189 -8.801 -2.205 0.071
+ATOM 33 CB ALA 17 25.607 -8.745 -1.894 0.095
+ATOM 34 CA GLY 18 28.687 -5.970 -2.869 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 863.82 ENERGY -6.93411E+00
+REMARK time 907.19 ENERGY 6.10495E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 8.506 1.456 -2.051 0.011
-ATOM 2 CA ALA 2 5.617 1.574 0.350 0.008
-ATOM 3 CB ALA 2 4.906 1.491 0.008 0.003
-ATOM 4 CA ALA 3 4.368 -1.175 2.595 0.003
-ATOM 5 CB ALA 3 3.935 -1.017 3.162 0.071
-ATOM 6 CA ALA 4 1.786 -3.321 0.860 0.008
-ATOM 7 CB ALA 4 1.118 -3.089 0.758 0.011
-ATOM 8 CA CYS 5 4.498 -5.282 -0.952 0.032
-ATOM 9 CB CYS 5 5.152 -4.247 -1.169 0.038
-ATOM 10 CA ALA 6 6.255 -8.606 -0.495 0.025
-ATOM 11 CB ALA 6 6.054 -9.330 -0.528 0.038
-ATOM 12 CA ALA 7 9.908 -9.522 -0.288 0.021
-ATOM 13 CB ALA 7 10.158 -8.952 0.152 0.115
-ATOM 14 CA ALA 8 11.676 -12.884 -0.633 0.049
-ATOM 15 CB ALA 8 11.838 -13.230 -1.216 0.066
-ATOM 16 CA ALA 9 14.921 -13.722 1.188 0.060
-ATOM 17 CB ALA 9 14.424 -13.508 1.661 0.375
-ATOM 18 CA ALA 10 17.424 -15.652 -0.884 0.024
-ATOM 19 CB ALA 10 18.166 -15.558 -1.208 0.092
-ATOM 20 CA ALA 11 18.790 -19.206 -1.229 0.044
-ATOM 21 CB ALA 11 18.904 -19.406 -1.940 0.112
-ATOM 22 CA ALA 12 22.267 -20.021 0.113 0.011
-ATOM 23 CB ALA 12 22.587 -20.280 0.697 0.056
-ATOM 24 CA ALA 13 24.926 -22.198 -1.558 0.019
-ATOM 25 CB ALA 13 25.127 -21.992 -2.202 0.099
-ATOM 26 CA CYS 14 27.016 -25.330 -0.624 0.017
-ATOM 27 CB CYS 14 26.163 -26.190 -0.350 0.012
-ATOM 28 CA ALA 15 30.786 -25.380 0.296 0.014
-ATOM 29 CB ALA 15 31.215 -24.799 0.510 0.014
-ATOM 30 CA ALA 16 32.225 -28.989 0.248 0.028
-ATOM 31 CB ALA 16 32.034 -29.445 -0.361 0.008
-ATOM 32 CA ALA 17 35.270 -30.357 2.048 0.036
-ATOM 33 CB ALA 17 35.124 -30.073 2.732 0.021
-ATOM 34 CA GLY 18 36.904 -33.829 1.416 0.000
+ATOM 1 CA GLY 1 17.818 -1.641 -1.146 0.011
+ATOM 2 CA ALA 2 18.381 -4.795 -3.105 0.013
+ATOM 3 CB ALA 2 19.071 -4.952 -3.483 0.096
+ATOM 4 CA ALA 3 16.254 -7.263 -1.206 0.006
+ATOM 5 CB ALA 3 15.637 -7.740 -1.211 0.076
+ATOM 6 CA ALA 4 17.006 -10.398 0.845 0.039
+ATOM 7 CB ALA 4 16.856 -10.303 1.520 0.014
+ATOM 8 CA CYS 5 16.183 -14.071 0.305 0.002
+ATOM 9 CB CYS 5 17.236 -14.765 -0.070 0.083
+ATOM 10 CA ALA 6 14.273 -14.578 3.564 0.007
+ATOM 11 CB ALA 6 14.559 -14.228 4.062 0.148
+ATOM 12 CA ALA 7 10.995 -14.454 1.678 0.006
+ATOM 13 CB ALA 7 11.200 -13.706 1.479 0.068
+ATOM 14 CA ALA 8 10.776 -18.222 1.298 0.008
+ATOM 15 CB ALA 8 11.373 -18.633 1.180 0.116
+ATOM 16 CA ALA 9 8.371 -20.761 2.892 0.005
+ATOM 17 CB ALA 9 7.762 -21.143 2.698 0.060
+ATOM 18 CA ALA 10 10.433 -23.882 1.965 0.019
+ATOM 19 CB ALA 10 10.323 -24.353 1.491 0.065
+ATOM 20 CA ALA 11 14.138 -23.102 1.367 0.029
+ATOM 21 CB ALA 11 14.747 -22.959 1.806 0.018
+ATOM 22 CA ALA 12 16.045 -22.539 -1.794 0.014
+ATOM 23 CB ALA 12 15.550 -22.571 -2.270 0.018
+ATOM 24 CA ALA 13 19.413 -20.947 -1.284 0.007
+ATOM 25 CB ALA 13 19.920 -21.495 -1.295 0.146
+ATOM 26 CA CYS 14 19.818 -17.476 -2.864 0.024
+ATOM 27 CB CYS 14 19.189 -16.386 -2.750 0.065
+ATOM 28 CA ALA 15 23.227 -15.683 -2.487 0.008
+ATOM 29 CB ALA 15 23.485 -15.899 -3.157 0.063
+ATOM 30 CA ALA 16 23.310 -12.693 -0.104 0.016
+ATOM 31 CB ALA 16 23.184 -13.124 0.371 0.037
+ATOM 32 CA ALA 17 25.474 -9.537 -0.013 0.056
+ATOM 33 CB ALA 17 25.600 -8.850 -0.231 0.050
+ATOM 34 CA GLY 18 28.490 -8.534 2.068 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 889.50 ENERGY -4.93323E-01
+REMARK time 930.24 ENERGY -3.91873E-04
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 8.258 4.638 0.856 0.001
-ATOM 2 CA ALA 2 5.690 2.047 -0.296 0.002
-ATOM 3 CB ALA 2 6.104 2.103 -0.872 0.034
-ATOM 4 CA ALA 3 5.762 -0.896 2.107 0.038
-ATOM 5 CB ALA 3 5.793 -0.729 2.860 0.076
-ATOM 6 CA ALA 4 2.888 -3.219 1.051 0.024
-ATOM 7 CB ALA 4 2.473 -2.818 0.654 0.111
-ATOM 8 CA CYS 5 5.208 -5.532 -0.792 0.013
-ATOM 9 CB CYS 5 5.810 -4.500 -1.149 0.087
-ATOM 10 CA ALA 6 5.960 -9.304 -1.077 0.001
-ATOM 11 CB ALA 6 6.068 -9.813 -1.589 0.025
-ATOM 12 CA ALA 7 8.398 -11.177 1.031 0.010
-ATOM 13 CB ALA 7 8.332 -11.829 1.415 0.003
-ATOM 14 CA ALA 8 11.791 -11.740 -0.541 0.022
-ATOM 15 CB ALA 8 12.187 -11.191 -0.602 0.052
-ATOM 16 CA ALA 9 14.056 -14.566 0.308 0.014
-ATOM 17 CB ALA 9 13.448 -14.841 0.071 0.095
-ATOM 18 CA ALA 10 17.406 -16.246 0.097 0.017
-ATOM 19 CB ALA 10 17.523 -15.922 0.726 0.144
-ATOM 20 CA ALA 11 18.602 -19.809 -0.788 0.088
-ATOM 21 CB ALA 11 18.403 -20.430 -1.097 0.035
-ATOM 22 CA ALA 12 22.280 -20.393 -1.379 0.024
-ATOM 23 CB ALA 12 22.709 -20.184 -0.802 0.068
-ATOM 24 CA ALA 13 23.981 -23.683 -2.477 0.057
-ATOM 25 CB ALA 13 23.927 -23.304 -3.077 0.108
-ATOM 26 CA CYS 14 26.698 -25.974 -0.886 0.039
-ATOM 27 CB CYS 14 26.229 -27.082 -0.596 0.042
-ATOM 28 CA ALA 15 30.480 -25.732 -1.089 0.009
-ATOM 29 CB ALA 15 30.909 -25.130 -0.985 0.006
-ATOM 30 CA ALA 16 32.417 -28.683 0.256 0.011
-ATOM 31 CB ALA 16 32.822 -28.992 -0.265 0.091
-ATOM 32 CA ALA 17 34.561 -28.797 3.410 0.010
-ATOM 33 CB ALA 17 34.432 -29.257 4.030 0.146
-ATOM 34 CA GLY 18 38.193 -28.220 2.816 0.000
+ATOM 1 CA GLY 1 20.044 -1.062 -4.225 0.029
+ATOM 2 CA ALA 2 18.233 -3.722 -2.220 0.022
+ATOM 3 CB ALA 2 17.614 -3.362 -1.942 0.058
+ATOM 4 CA ALA 3 17.042 -7.320 -2.998 0.015
+ATOM 5 CB ALA 3 17.404 -8.019 -3.054 0.025
+ATOM 6 CA ALA 4 15.075 -8.839 -0.160 0.013
+ATOM 7 CB ALA 4 14.301 -8.783 -0.004 0.143
+ATOM 8 CA CYS 5 14.831 -12.686 0.003 0.065
+ATOM 9 CB CYS 5 15.952 -13.173 -0.238 0.034
+ATOM 10 CA ALA 6 14.664 -14.593 3.227 0.034
+ATOM 11 CB ALA 6 15.077 -14.264 3.769 0.210
+ATOM 12 CA ALA 7 10.852 -14.555 3.187 0.009
+ATOM 13 CB ALA 7 10.899 -13.826 3.288 0.013
+ATOM 14 CA ALA 8 10.864 -17.829 1.304 0.029
+ATOM 15 CB ALA 8 10.990 -18.300 0.752 0.049
+ATOM 16 CA ALA 9 10.781 -20.824 3.705 0.003
+ATOM 17 CB ALA 9 10.421 -21.000 4.343 0.103
+ATOM 18 CA ALA 10 11.409 -23.471 1.000 0.008
+ATOM 19 CB ALA 10 10.741 -23.358 0.655 0.077
+ATOM 20 CA ALA 11 14.753 -25.182 0.464 0.057
+ATOM 21 CB ALA 11 14.541 -25.868 0.665 0.133
+ATOM 22 CA ALA 12 17.072 -24.159 -2.440 0.017
+ATOM 23 CB ALA 12 17.273 -24.073 -3.154 0.086
+ATOM 24 CA ALA 13 18.691 -20.942 -1.129 0.004
+ATOM 25 CB ALA 13 19.422 -21.019 -0.928 0.198
+ATOM 26 CA CYS 14 18.479 -17.132 -1.693 0.018
+ATOM 27 CB CYS 14 17.556 -16.487 -1.328 0.097
+ATOM 28 CA ALA 15 22.029 -15.685 -1.828 0.045
+ATOM 29 CB ALA 15 22.187 -15.033 -2.295 0.012
+ATOM 30 CA ALA 16 24.404 -13.948 0.493 0.001
+ATOM 31 CB ALA 16 25.103 -14.378 0.437 0.123
+ATOM 32 CA ALA 17 25.678 -10.328 0.451 0.014
+ATOM 33 CB ALA 17 25.091 -10.391 0.832 0.042
+ATOM 34 CA GLY 18 28.771 -9.255 2.372 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 917.67 ENERGY -2.16286E+00
+REMARK time 960.24 ENERGY -3.37445E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 9.668 4.191 2.084 0.007
-ATOM 2 CA ALA 2 7.376 1.895 0.064 0.015
-ATOM 3 CB ALA 2 7.609 2.004 -0.652 0.107
-ATOM 4 CA ALA 3 5.296 -0.479 2.262 0.011
-ATOM 5 CB ALA 3 4.867 -0.274 2.850 0.055
-ATOM 6 CA ALA 4 3.044 -2.355 -0.099 0.023
-ATOM 7 CB ALA 4 2.694 -2.829 -0.496 0.028
-ATOM 8 CA CYS 5 5.813 -4.775 -0.987 0.019
-ATOM 9 CB CYS 5 6.448 -4.293 -0.006 0.020
-ATOM 10 CA ALA 6 6.279 -8.262 0.483 0.067
-ATOM 11 CB ALA 6 6.676 -8.605 -0.005 0.096
-ATOM 12 CA ALA 7 9.141 -10.508 1.590 0.017
-ATOM 13 CB ALA 7 9.408 -10.985 1.948 0.011
-ATOM 14 CA ALA 8 10.573 -12.967 -0.989 0.020
-ATOM 15 CB ALA 8 11.032 -12.606 -1.514 0.163
-ATOM 16 CA ALA 9 12.768 -16.014 -0.280 0.018
-ATOM 17 CB ALA 9 12.355 -16.478 0.029 0.006
-ATOM 18 CA ALA 10 15.809 -17.336 -2.087 0.012
-ATOM 19 CB ALA 10 16.183 -16.723 -2.261 0.155
-ATOM 20 CA ALA 11 17.632 -20.657 -2.601 0.007
-ATOM 21 CB ALA 11 17.769 -20.869 -3.317 0.056
-ATOM 22 CA ALA 12 20.742 -22.254 -1.050 0.037
-ATOM 23 CB ALA 12 21.048 -22.687 -0.582 0.083
-ATOM 24 CA ALA 13 23.825 -24.003 -2.427 0.033
-ATOM 25 CB ALA 13 24.004 -23.488 -2.857 0.013
-ATOM 26 CA CYS 14 26.425 -26.201 -0.601 0.078
-ATOM 27 CB CYS 14 26.247 -27.367 -1.054 0.013
-ATOM 28 CA ALA 15 29.784 -25.174 0.991 0.012
-ATOM 29 CB ALA 15 29.857 -24.561 1.423 0.077
-ATOM 30 CA ALA 16 33.138 -27.102 1.091 0.002
-ATOM 31 CB ALA 16 33.604 -27.190 0.489 0.030
-ATOM 32 CA ALA 17 36.277 -27.495 3.258 0.037
-ATOM 33 CB ALA 17 36.182 -28.138 3.424 0.184
-ATOM 34 CA GLY 18 39.881 -26.804 2.401 0.000
+ATOM 1 CA GLY 1 15.305 -1.914 -4.050 0.004
+ATOM 2 CA ALA 2 17.847 -4.643 -4.019 0.028
+ATOM 3 CB ALA 2 18.384 -4.356 -3.603 0.075
+ATOM 4 CA ALA 3 16.910 -8.354 -3.934 0.020
+ATOM 5 CB ALA 3 17.163 -8.762 -4.462 0.077
+ATOM 6 CA ALA 4 16.366 -10.095 -0.659 0.057
+ATOM 7 CB ALA 4 16.184 -9.543 -0.304 0.171
+ATOM 8 CA CYS 5 15.708 -13.533 0.826 0.033
+ATOM 9 CB CYS 5 16.860 -13.838 0.347 0.058
+ATOM 10 CA ALA 6 14.977 -14.921 4.289 0.006
+ATOM 11 CB ALA 6 14.984 -14.423 4.849 0.002
+ATOM 12 CA ALA 7 11.214 -14.569 3.769 0.022
+ATOM 13 CB ALA 7 10.993 -13.986 3.275 0.086
+ATOM 14 CA ALA 8 11.121 -17.765 1.658 0.016
+ATOM 15 CB ALA 8 11.505 -18.183 1.073 0.033
+ATOM 16 CA ALA 9 11.372 -20.884 3.759 0.019
+ATOM 17 CB ALA 9 10.863 -21.383 4.051 0.003
+ATOM 18 CA ALA 10 12.571 -23.022 0.895 0.036
+ATOM 19 CB ALA 10 12.479 -23.317 0.247 0.095
+ATOM 20 CA ALA 11 15.495 -24.416 -1.135 0.009
+ATOM 21 CB ALA 11 15.592 -25.129 -0.835 0.046
+ATOM 22 CA ALA 12 15.145 -21.862 -3.915 0.003
+ATOM 23 CB ALA 12 14.451 -21.711 -3.731 0.079
+ATOM 24 CA ALA 13 16.329 -18.884 -1.773 0.022
+ATOM 25 CB ALA 13 16.080 -19.487 -1.336 0.051
+ATOM 26 CA CYS 14 19.550 -16.846 -1.728 0.008
+ATOM 27 CB CYS 14 18.851 -15.804 -1.834 0.017
+ATOM 28 CA ALA 15 21.946 -16.374 1.152 0.036
+ATOM 29 CB ALA 15 22.515 -16.781 1.372 0.045
+ATOM 30 CA ALA 16 23.321 -12.967 1.905 0.030
+ATOM 31 CB ALA 16 23.570 -12.434 2.334 0.030
+ATOM 32 CA ALA 17 26.908 -12.138 0.815 0.026
+ATOM 33 CB ALA 17 27.302 -12.121 0.106 0.186
+ATOM 34 CA GLY 18 26.731 -8.407 1.671 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 945.61 ENERGY -9.00979E+00
+REMARK time 989.35 ENERGY -2.59169E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 10.155 4.556 1.597 0.026
-ATOM 2 CA ALA 2 7.189 2.311 1.241 0.034
-ATOM 3 CB ALA 2 6.879 1.961 0.744 0.051
-ATOM 4 CA ALA 3 6.341 -0.382 3.784 0.012
-ATOM 5 CB ALA 3 5.868 -0.500 4.423 0.144
-ATOM 6 CA ALA 4 4.562 -2.820 1.425 0.022
-ATOM 7 CB ALA 4 4.019 -2.962 0.991 0.103
-ATOM 8 CA CYS 5 7.232 -4.822 -0.477 0.002
-ATOM 9 CB CYS 5 7.873 -4.188 -1.361 0.108
-ATOM 10 CA ALA 6 7.035 -8.510 -1.385 0.010
-ATOM 11 CB ALA 6 6.352 -8.623 -1.719 0.189
-ATOM 12 CA ALA 7 9.855 -11.114 -1.606 0.029
-ATOM 13 CB ALA 7 10.171 -10.713 -1.004 0.032
-ATOM 14 CA ALA 8 9.916 -14.779 -2.521 0.034
-ATOM 15 CB ALA 8 9.717 -14.628 -3.209 0.285
-ATOM 16 CA ALA 9 12.108 -17.164 -0.517 0.043
-ATOM 17 CB ALA 9 12.010 -17.609 0.054 0.007
-ATOM 18 CA ALA 10 15.003 -18.819 -2.137 0.061
-ATOM 19 CB ALA 10 15.633 -18.446 -2.246 0.066
-ATOM 20 CA ALA 11 16.895 -22.045 -1.628 0.021
-ATOM 21 CB ALA 11 16.961 -22.702 -1.983 0.040
-ATOM 22 CA ALA 12 19.941 -22.456 0.697 0.002
-ATOM 23 CB ALA 12 19.857 -22.999 1.110 0.102
-ATOM 24 CA ALA 13 23.565 -22.008 -0.295 0.019
-ATOM 25 CB ALA 13 23.876 -21.341 -0.385 0.085
-ATOM 26 CA CYS 14 26.490 -24.401 0.445 0.017
-ATOM 27 CB CYS 14 26.182 -25.477 -0.092 0.005
-ATOM 28 CA ALA 15 30.156 -24.231 -0.497 0.019
-ATOM 29 CB ALA 15 30.270 -23.503 -0.290 0.029
-ATOM 30 CA ALA 16 33.108 -26.677 -0.633 0.033
-ATOM 31 CB ALA 16 33.663 -27.067 -1.022 0.071
-ATOM 32 CA ALA 17 35.333 -26.607 2.463 0.004
-ATOM 33 CB ALA 17 34.884 -26.347 3.024 0.009
-ATOM 34 CA GLY 18 38.620 -27.851 3.850 0.000
+ATOM 1 CA GLY 1 16.549 -3.679 -7.231 0.023
+ATOM 2 CA ALA 2 16.094 -6.971 -5.261 0.014
+ATOM 3 CB ALA 2 16.769 -7.161 -4.949 0.105
+ATOM 4 CA ALA 3 14.471 -6.447 -1.741 0.005
+ATOM 5 CB ALA 3 14.019 -6.089 -2.226 0.043
+ATOM 6 CA ALA 4 14.984 -9.279 0.710 0.004
+ATOM 7 CB ALA 4 14.644 -8.848 1.230 0.022
+ATOM 8 CA CYS 5 14.992 -13.038 -0.059 0.005
+ATOM 9 CB CYS 5 16.039 -13.396 -0.508 0.125
+ATOM 10 CA ALA 6 14.847 -14.080 3.579 0.050
+ATOM 11 CB ALA 6 15.275 -13.715 4.093 0.081
+ATOM 12 CA ALA 7 11.099 -14.524 3.471 0.009
+ATOM 13 CB ALA 7 10.567 -14.001 3.159 0.027
+ATOM 14 CA ALA 8 11.494 -17.953 1.856 0.001
+ATOM 15 CB ALA 8 11.722 -18.271 1.281 0.120
+ATOM 16 CA ALA 9 11.532 -21.202 3.753 0.006
+ATOM 17 CB ALA 9 10.891 -21.331 4.158 0.038
+ATOM 18 CA ALA 10 12.952 -23.076 0.830 0.005
+ATOM 19 CB ALA 10 12.879 -22.831 0.161 0.143
+ATOM 20 CA ALA 11 16.284 -23.922 -0.634 0.031
+ATOM 21 CB ALA 11 16.388 -24.530 -0.123 0.040
+ATOM 22 CA ALA 12 15.544 -21.770 -3.792 0.001
+ATOM 23 CB ALA 12 14.975 -22.216 -3.845 0.065
+ATOM 24 CA ALA 13 16.233 -18.470 -1.967 0.021
+ATOM 25 CB ALA 13 16.087 -18.469 -1.217 0.015
+ATOM 26 CA CYS 14 19.442 -16.452 -2.236 0.007
+ATOM 27 CB CYS 14 19.034 -15.319 -1.831 0.072
+ATOM 28 CA ALA 15 23.042 -15.801 -1.169 0.006
+ATOM 29 CB ALA 15 23.706 -15.790 -1.604 0.074
+ATOM 30 CA ALA 16 24.360 -13.730 1.722 0.041
+ATOM 31 CB ALA 16 24.442 -13.558 2.499 0.156
+ATOM 32 CA ALA 17 27.794 -12.191 2.361 0.017
+ATOM 33 CB ALA 17 28.015 -11.471 2.458 0.035
+ATOM 34 CA GLY 18 29.837 -13.682 5.243 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 974.02 ENERGY -2.40438E-01
+REMARK time 1016.71 ENERGY 1.06178E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 6.720 5.158 0.235 0.030
-ATOM 2 CA ALA 2 8.177 1.710 0.834 0.031
-ATOM 3 CB ALA 2 8.796 1.856 0.499 0.066
-ATOM 4 CA ALA 3 7.349 -0.211 4.031 0.020
-ATOM 5 CB ALA 3 6.716 -0.105 4.311 0.044
-ATOM 6 CA ALA 4 6.216 -3.220 2.087 0.017
-ATOM 7 CB ALA 4 5.711 -3.442 1.609 0.125
-ATOM 8 CA CYS 5 8.766 -5.601 0.281 0.061
-ATOM 9 CB CYS 5 9.269 -6.627 0.850 0.063
-ATOM 10 CA ALA 6 7.279 -8.752 -1.291 0.007
-ATOM 11 CB ALA 6 6.931 -8.363 -1.740 0.046
-ATOM 12 CA ALA 7 9.485 -11.738 -2.067 0.068
-ATOM 13 CB ALA 7 10.048 -11.672 -1.523 0.074
-ATOM 14 CA ALA 8 9.270 -15.055 -4.007 0.041
-ATOM 15 CB ALA 8 9.336 -14.883 -4.657 0.294
-ATOM 16 CA ALA 9 10.754 -18.206 -2.378 0.007
-ATOM 17 CB ALA 9 10.478 -18.909 -2.295 0.053
-ATOM 18 CA ALA 10 14.565 -18.602 -2.861 0.017
-ATOM 19 CB ALA 10 15.110 -18.283 -2.622 0.016
-ATOM 20 CA ALA 11 16.829 -21.249 -1.456 0.004
-ATOM 21 CB ALA 11 17.076 -21.764 -1.764 0.019
-ATOM 22 CA ALA 12 19.703 -21.159 1.104 0.020
-ATOM 23 CB ALA 12 19.258 -21.406 1.611 0.009
-ATOM 24 CA ALA 13 23.324 -21.796 0.210 0.035
-ATOM 25 CB ALA 13 23.593 -21.571 -0.439 0.044
-ATOM 26 CA CYS 14 26.476 -23.282 1.708 0.028
-ATOM 27 CB CYS 14 26.058 -24.117 2.536 0.004
-ATOM 28 CA ALA 15 29.930 -23.096 0.212 0.005
-ATOM 29 CB ALA 15 30.625 -22.840 0.140 0.008
-ATOM 30 CA ALA 16 32.285 -26.018 -0.308 0.013
-ATOM 31 CB ALA 16 32.821 -26.273 -0.759 0.081
-ATOM 32 CA ALA 17 35.061 -27.033 2.026 0.008
-ATOM 33 CB ALA 17 34.593 -27.505 2.274 0.044
-ATOM 34 CA GLY 18 38.311 -28.389 0.482 0.000
+ATOM 1 CA GLY 1 15.418 -3.174 -8.764 0.051
+ATOM 2 CA ALA 2 16.222 -5.134 -5.635 0.049
+ATOM 3 CB ALA 2 16.350 -4.664 -5.012 0.155
+ATOM 4 CA ALA 3 14.557 -7.971 -3.670 0.010
+ATOM 5 CB ALA 3 14.840 -8.654 -3.549 0.158
+ATOM 6 CA ALA 4 14.634 -9.226 -0.057 0.014
+ATOM 7 CB ALA 4 14.582 -8.916 0.598 0.074
+ATOM 8 CA CYS 5 15.246 -12.797 0.930 0.015
+ATOM 9 CB CYS 5 16.272 -13.372 0.406 0.054
+ATOM 10 CA ALA 6 14.345 -12.860 4.701 0.029
+ATOM 11 CB ALA 6 14.362 -12.171 4.933 0.077
+ATOM 12 CA ALA 7 11.159 -14.823 4.033 0.003
+ATOM 13 CB ALA 7 10.567 -14.391 3.916 0.074
+ATOM 14 CA ALA 8 12.518 -18.161 2.617 0.011
+ATOM 15 CB ALA 8 12.867 -18.041 1.946 0.029
+ATOM 16 CA ALA 9 12.623 -21.637 4.177 0.065
+ATOM 17 CB ALA 9 12.125 -21.974 4.657 0.023
+ATOM 18 CA ALA 10 13.809 -23.187 0.850 0.038
+ATOM 19 CB ALA 10 13.084 -23.020 0.631 0.036
+ATOM 20 CA ALA 11 16.951 -23.605 -1.305 0.037
+ATOM 21 CB ALA 11 16.816 -24.370 -1.418 0.054
+ATOM 22 CA ALA 12 15.530 -21.356 -4.042 0.027
+ATOM 23 CB ALA 12 14.851 -21.163 -4.034 0.083
+ATOM 24 CA ALA 13 16.294 -18.129 -2.114 0.028
+ATOM 25 CB ALA 13 16.450 -18.336 -1.423 0.045
+ATOM 26 CA CYS 14 19.030 -15.548 -2.886 0.040
+ATOM 27 CB CYS 14 18.445 -14.594 -2.359 0.005
+ATOM 28 CA ALA 15 22.341 -15.584 -1.191 0.051
+ATOM 29 CB ALA 15 22.783 -15.865 -1.611 0.059
+ATOM 30 CA ALA 16 24.136 -14.272 1.954 0.027
+ATOM 31 CB ALA 16 24.137 -14.392 2.703 0.049
+ATOM 32 CA ALA 17 27.750 -13.639 3.151 0.007
+ATOM 33 CB ALA 17 27.848 -12.929 2.951 0.057
+ATOM 34 CA GLY 18 28.147 -16.137 5.855 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 999.87 ENERGY 1.69432E+00
+REMARK time 1046.66 ENERGY 1.08029E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 7.841 5.054 -1.320 0.040
-ATOM 2 CA ALA 2 7.495 1.381 -0.448 0.008
-ATOM 3 CB ALA 2 7.644 0.862 -0.889 0.152
-ATOM 4 CA ALA 3 7.545 0.297 3.140 0.003
-ATOM 5 CB ALA 3 7.720 0.782 3.677 0.056
-ATOM 6 CA ALA 4 5.776 -3.022 2.311 0.031
-ATOM 7 CB ALA 4 5.129 -2.810 2.222 0.036
-ATOM 8 CA CYS 5 7.854 -6.086 1.646 0.058
-ATOM 9 CB CYS 5 8.827 -5.466 1.721 0.031
-ATOM 10 CA ALA 6 7.321 -9.482 0.093 0.087
-ATOM 11 CB ALA 6 6.860 -9.634 -0.499 0.059
-ATOM 12 CA ALA 7 10.254 -11.811 -1.004 0.017
-ATOM 13 CB ALA 7 10.738 -12.207 -0.605 0.276
-ATOM 14 CA ALA 8 9.753 -14.487 -3.575 0.012
-ATOM 15 CB ALA 8 10.173 -14.168 -4.205 0.038
-ATOM 16 CA ALA 9 11.075 -17.899 -2.624 0.007
-ATOM 17 CB ALA 9 10.668 -18.088 -3.226 0.021
-ATOM 18 CA ALA 10 14.865 -18.476 -2.520 0.007
-ATOM 19 CB ALA 10 15.065 -18.134 -1.861 0.014
-ATOM 20 CA ALA 11 17.152 -21.517 -2.774 0.007
-ATOM 21 CB ALA 11 17.366 -21.566 -3.537 0.045
-ATOM 22 CA ALA 12 20.034 -22.493 -0.382 0.010
-ATOM 23 CB ALA 12 20.220 -22.992 0.085 0.041
-ATOM 24 CA ALA 13 23.738 -22.055 -0.293 0.008
-ATOM 25 CB ALA 13 23.772 -21.316 -0.458 0.017
-ATOM 26 CA CYS 14 25.866 -23.752 2.323 0.008
-ATOM 27 CB CYS 14 25.898 -24.658 1.445 0.016
-ATOM 28 CA ALA 15 29.678 -23.159 2.675 0.008
-ATOM 29 CB ALA 15 30.047 -22.810 3.204 0.012
-ATOM 30 CA ALA 16 31.708 -25.617 0.618 0.002
-ATOM 31 CB ALA 16 31.588 -25.083 0.175 0.089
-ATOM 32 CA ALA 17 35.277 -26.812 1.335 0.049
-ATOM 33 CB ALA 17 35.285 -27.179 2.027 0.047
-ATOM 34 CA GLY 18 37.350 -27.919 -1.654 0.000
+ATOM 1 CA GLY 1 14.634 -4.645 -8.640 0.054
+ATOM 2 CA ALA 2 14.887 -5.112 -4.856 0.053
+ATOM 3 CB ALA 2 14.410 -5.517 -4.353 0.093
+ATOM 4 CA ALA 3 17.586 -6.970 -2.949 0.086
+ATOM 5 CB ALA 3 18.144 -6.823 -2.466 0.070
+ATOM 6 CA ALA 4 16.558 -8.581 0.320 0.042
+ATOM 7 CB ALA 4 16.129 -7.996 0.520 0.019
+ATOM 8 CA CYS 5 14.697 -11.906 -0.256 0.005
+ATOM 9 CB CYS 5 15.307 -12.727 -0.856 0.024
+ATOM 10 CA ALA 6 15.591 -13.603 2.987 0.039
+ATOM 11 CB ALA 6 16.191 -13.185 3.144 0.178
+ATOM 12 CA ALA 7 12.103 -14.339 4.315 0.030
+ATOM 13 CB ALA 7 11.595 -13.971 4.597 0.014
+ATOM 14 CA ALA 8 12.153 -17.937 3.221 0.051
+ATOM 15 CB ALA 8 12.005 -17.905 2.533 0.046
+ATOM 16 CA ALA 9 13.824 -21.365 3.661 0.027
+ATOM 17 CB ALA 9 13.639 -21.920 4.084 0.021
+ATOM 18 CA ALA 10 14.071 -23.656 0.547 0.003
+ATOM 19 CB ALA 10 13.708 -23.848 0.003 0.017
+ATOM 20 CA ALA 11 17.324 -23.312 -1.450 0.027
+ATOM 21 CB ALA 11 17.508 -23.990 -1.573 0.004
+ATOM 22 CA ALA 12 15.492 -21.794 -4.426 0.003
+ATOM 23 CB ALA 12 14.756 -21.933 -4.494 0.121
+ATOM 24 CA ALA 13 15.328 -18.436 -2.608 0.024
+ATOM 25 CB ALA 13 15.111 -18.799 -1.976 0.038
+ATOM 26 CA CYS 14 18.430 -16.234 -2.298 0.017
+ATOM 27 CB CYS 14 18.074 -15.111 -2.056 0.022
+ATOM 28 CA ALA 15 21.056 -16.875 0.346 0.012
+ATOM 29 CB ALA 15 21.808 -16.968 0.270 0.027
+ATOM 30 CA ALA 16 22.410 -14.726 3.264 0.022
+ATOM 31 CB ALA 16 22.713 -14.296 3.757 0.132
+ATOM 32 CA ALA 17 26.186 -13.982 2.921 0.020
+ATOM 33 CB ALA 17 26.012 -13.721 2.272 0.089
+ATOM 34 CA GLY 18 28.849 -12.223 5.030 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1029.04 ENERGY -2.02413E+00
+REMARK time 1068.41 ENERGY -5.39422E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 5.932 5.031 -2.167 0.007
-ATOM 2 CA ALA 2 6.895 1.363 -1.657 0.016
-ATOM 3 CB ALA 2 7.315 1.298 -2.276 0.047
-ATOM 4 CA ALA 3 6.863 1.590 2.212 0.031
-ATOM 5 CB ALA 3 6.543 2.277 2.439 0.100
-ATOM 6 CA ALA 4 5.458 -1.958 2.581 0.004
-ATOM 7 CB ALA 4 4.775 -2.415 2.653 0.010
-ATOM 8 CA CYS 5 7.292 -5.159 1.732 0.031
-ATOM 9 CB CYS 5 8.274 -5.415 2.442 0.021
-ATOM 10 CA ALA 6 6.995 -8.266 -0.434 0.018
-ATOM 11 CB ALA 6 6.684 -8.105 -1.046 0.092
-ATOM 12 CA ALA 7 9.180 -11.151 0.499 0.071
-ATOM 13 CB ALA 7 8.843 -11.829 0.556 0.272
-ATOM 14 CA ALA 8 10.643 -13.376 -2.161 0.057
-ATOM 15 CB ALA 8 11.142 -12.840 -2.308 0.057
-ATOM 16 CA ALA 9 12.076 -16.872 -2.091 0.042
-ATOM 17 CB ALA 9 11.846 -17.532 -2.286 0.126
-ATOM 18 CA ALA 10 15.720 -17.865 -1.946 0.028
-ATOM 19 CB ALA 10 16.374 -17.982 -1.600 0.113
-ATOM 20 CA ALA 11 16.911 -21.555 -1.748 0.038
-ATOM 21 CB ALA 11 16.840 -22.109 -2.158 0.059
-ATOM 22 CA ALA 12 20.059 -23.188 -0.290 0.015
-ATOM 23 CB ALA 12 19.999 -23.821 0.112 0.038
-ATOM 24 CA ALA 13 23.688 -23.741 -0.996 0.025
-ATOM 25 CB ALA 13 23.892 -22.966 -0.962 0.027
-ATOM 26 CA CYS 14 25.924 -26.645 0.186 0.035
-ATOM 27 CB CYS 14 25.532 -27.499 -0.677 0.027
-ATOM 28 CA ALA 15 29.361 -26.165 1.721 0.016
-ATOM 29 CB ALA 15 29.580 -26.177 2.414 0.072
-ATOM 30 CA ALA 16 32.889 -25.833 0.359 0.024
-ATOM 31 CB ALA 16 32.886 -25.100 0.246 0.004
-ATOM 32 CA ALA 17 36.487 -26.338 1.542 0.063
-ATOM 33 CB ALA 17 36.441 -26.803 1.013 0.008
-ATOM 34 CA GLY 18 38.815 -23.246 2.203 0.000
+ATOM 1 CA GLY 1 13.466 -4.234 -5.893 0.019
+ATOM 2 CA ALA 2 14.871 -6.032 -2.930 0.035
+ATOM 3 CB ALA 2 14.572 -6.512 -2.403 0.110
+ATOM 4 CA ALA 3 17.838 -8.376 -3.733 0.010
+ATOM 5 CB ALA 3 18.551 -8.248 -4.053 0.055
+ATOM 6 CA ALA 4 17.652 -9.944 -0.224 0.011
+ATOM 7 CB ALA 4 17.413 -9.355 0.249 0.167
+ATOM 8 CA CYS 5 15.275 -12.747 0.645 0.028
+ATOM 9 CB CYS 5 15.576 -13.566 -0.139 0.088
+ATOM 10 CA ALA 6 13.749 -13.272 4.067 0.077
+ATOM 11 CB ALA 6 13.973 -12.983 4.690 0.033
+ATOM 12 CA ALA 7 10.446 -14.651 2.715 0.079
+ATOM 13 CB ALA 7 9.983 -14.228 2.239 0.047
+ATOM 14 CA ALA 8 11.921 -17.882 1.410 0.033
+ATOM 15 CB ALA 8 12.631 -17.640 1.249 0.004
+ATOM 16 CA ALA 9 12.134 -20.891 3.737 0.048
+ATOM 17 CB ALA 9 11.710 -21.474 3.871 0.142
+ATOM 18 CA ALA 10 13.557 -23.175 1.025 0.017
+ATOM 19 CB ALA 10 13.085 -23.104 0.429 0.061
+ATOM 20 CA ALA 11 16.584 -24.073 -1.057 0.025
+ATOM 21 CB ALA 11 16.562 -24.608 -1.595 0.065
+ATOM 22 CA ALA 12 15.478 -21.663 -3.799 0.068
+ATOM 23 CB ALA 12 14.752 -21.651 -3.977 0.009
+ATOM 24 CA ALA 13 16.478 -18.633 -1.763 0.028
+ATOM 25 CB ALA 13 16.468 -19.056 -1.151 0.038
+ATOM 26 CA CYS 14 19.232 -16.049 -2.327 0.001
+ATOM 27 CB CYS 14 18.553 -15.136 -1.871 0.003
+ATOM 28 CA ALA 15 22.488 -16.085 -0.417 0.014
+ATOM 29 CB ALA 15 23.077 -16.627 -0.572 0.120
+ATOM 30 CA ALA 16 23.769 -12.664 0.812 0.001
+ATOM 31 CB ALA 16 23.115 -12.525 1.155 0.134
+ATOM 32 CA ALA 17 27.150 -12.236 2.527 0.020
+ATOM 33 CB ALA 17 27.728 -11.835 2.279 0.004
+ATOM 34 CA GLY 18 27.738 -12.557 6.352 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1054.01 ENERGY -6.79547E-01
+REMARK time 1096.12 ENERGY 4.68575E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 2.895 3.802 -3.232 0.009
-ATOM 2 CA ALA 2 6.110 1.937 -2.434 0.082
-ATOM 3 CB ALA 2 6.686 2.280 -2.808 0.038
-ATOM 4 CA ALA 3 5.220 1.766 1.248 0.020
-ATOM 5 CB ALA 3 4.591 2.060 1.276 0.066
-ATOM 6 CA ALA 4 5.165 -2.061 1.243 0.018
-ATOM 7 CB ALA 4 4.804 -2.253 0.672 0.084
-ATOM 8 CA CYS 5 7.831 -4.608 2.076 0.039
-ATOM 9 CB CYS 5 7.442 -5.025 3.199 0.010
-ATOM 10 CA ALA 6 9.405 -7.392 0.000 0.051
-ATOM 11 CB ALA 6 9.870 -7.127 -0.600 0.032
-ATOM 12 CA ALA 7 10.203 -10.992 0.970 0.007
-ATOM 13 CB ALA 7 9.587 -11.081 0.560 0.188
-ATOM 14 CA ALA 8 12.901 -13.059 -0.527 0.055
-ATOM 15 CB ALA 8 13.459 -13.541 -0.591 0.032
-ATOM 16 CA ALA 9 12.834 -16.576 0.962 0.037
-ATOM 17 CB ALA 9 12.031 -16.814 0.999 0.035
-ATOM 18 CA ALA 10 15.741 -19.027 0.461 0.022
-ATOM 19 CB ALA 10 15.758 -19.245 1.190 0.021
-ATOM 20 CA ALA 11 17.022 -21.419 -2.210 0.057
-ATOM 21 CB ALA 11 17.187 -21.544 -2.831 0.010
-ATOM 22 CA ALA 12 19.959 -23.719 -1.233 0.007
-ATOM 23 CB ALA 12 19.638 -24.406 -1.045 0.040
-ATOM 24 CA ALA 13 23.689 -23.631 -1.808 0.011
-ATOM 25 CB ALA 13 23.666 -22.979 -1.634 0.010
-ATOM 26 CA CYS 14 26.058 -26.648 -2.059 0.025
-ATOM 27 CB CYS 14 26.612 -27.279 -3.043 0.050
-ATOM 28 CA ALA 15 28.968 -27.162 0.261 0.017
-ATOM 29 CB ALA 15 29.203 -27.596 0.742 0.009
-ATOM 30 CA ALA 16 32.533 -25.594 0.197 0.003
-ATOM 31 CB ALA 16 32.452 -24.866 0.359 0.022
-ATOM 32 CA ALA 17 35.540 -26.446 2.311 0.029
-ATOM 33 CB ALA 17 35.932 -27.051 2.382 0.077
-ATOM 34 CA GLY 18 36.784 -23.625 4.528 0.000
+ATOM 1 CA GLY 1 13.962 -3.352 -6.210 0.043
+ATOM 2 CA ALA 2 16.487 -3.739 -3.483 0.029
+ATOM 3 CB ALA 2 16.397 -3.585 -2.805 0.057
+ATOM 4 CA ALA 3 17.802 -7.137 -2.458 0.092
+ATOM 5 CB ALA 3 18.533 -7.296 -2.279 0.092
+ATOM 6 CA ALA 4 16.731 -9.189 0.509 0.022
+ATOM 7 CB ALA 4 16.801 -8.633 0.938 0.097
+ATOM 8 CA CYS 5 15.040 -12.565 0.068 0.011
+ATOM 9 CB CYS 5 16.163 -12.949 -0.280 0.043
+ATOM 10 CA ALA 6 14.300 -14.219 3.414 0.017
+ATOM 11 CB ALA 6 14.776 -13.786 3.821 0.027
+ATOM 12 CA ALA 7 10.626 -15.022 2.460 0.011
+ATOM 13 CB ALA 7 9.967 -14.758 2.153 0.076
+ATOM 14 CA ALA 8 11.734 -18.477 1.661 0.064
+ATOM 15 CB ALA 8 12.339 -18.908 1.485 0.111
+ATOM 16 CA ALA 9 10.094 -21.802 2.512 0.004
+ATOM 17 CB ALA 9 9.453 -22.120 2.425 0.032
+ATOM 18 CA ALA 10 11.891 -23.506 -0.376 0.024
+ATOM 19 CB ALA 10 12.143 -23.735 -1.063 0.071
+ATOM 20 CA ALA 11 15.519 -24.730 -0.518 0.002
+ATOM 21 CB ALA 11 15.746 -25.389 -0.303 0.027
+ATOM 22 CA ALA 12 16.447 -22.848 -3.670 0.021
+ATOM 23 CB ALA 12 16.024 -22.560 -4.207 0.041
+ATOM 24 CA ALA 13 17.027 -19.764 -1.473 0.016
+ATOM 25 CB ALA 13 17.047 -20.168 -0.837 0.071
+ATOM 26 CA CYS 14 19.243 -16.788 -0.516 0.006
+ATOM 27 CB CYS 14 18.355 -15.918 -0.374 0.116
+ATOM 28 CA ALA 15 22.438 -16.350 1.543 0.015
+ATOM 29 CB ALA 15 23.073 -16.469 1.034 0.041
+ATOM 30 CA ALA 16 24.488 -13.485 2.749 0.016
+ATOM 31 CB ALA 16 24.862 -13.067 3.256 0.011
+ATOM 32 CA ALA 17 26.594 -11.246 0.514 0.033
+ATOM 33 CB ALA 17 26.098 -11.073 0.039 0.069
+ATOM 34 CA GLY 18 29.503 -8.805 0.708 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1079.67 ENERGY 9.45050E-01
+REMARK time 1126.12 ENERGY 1.87746E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 3.287 1.159 -5.126 0.005
-ATOM 2 CA ALA 2 5.648 1.775 -2.212 0.072
-ATOM 3 CB ALA 2 5.776 2.487 -2.224 0.048
-ATOM 4 CA ALA 3 3.028 0.440 0.122 0.030
-ATOM 5 CB ALA 3 2.387 0.691 -0.099 0.022
-ATOM 6 CA ALA 4 5.131 -2.771 0.108 0.043
-ATOM 7 CB ALA 4 5.169 -2.338 -0.426 0.011
-ATOM 8 CA CYS 5 8.202 -4.154 1.772 0.051
-ATOM 9 CB CYS 5 8.172 -4.417 2.884 0.016
-ATOM 10 CA ALA 6 9.827 -7.429 0.597 0.034
-ATOM 11 CB ALA 6 9.880 -7.682 -0.103 0.022
-ATOM 12 CA ALA 7 12.098 -9.692 2.746 0.058
-ATOM 13 CB ALA 7 11.477 -10.151 2.856 0.081
-ATOM 14 CA ALA 8 13.970 -12.744 1.415 0.011
-ATOM 15 CB ALA 8 14.604 -13.113 1.176 0.054
-ATOM 16 CA ALA 9 13.334 -16.391 0.916 0.028
-ATOM 17 CB ALA 9 12.645 -16.531 0.686 0.081
-ATOM 18 CA ALA 10 15.825 -19.226 0.864 0.012
-ATOM 19 CB ALA 10 15.750 -19.952 1.311 0.056
-ATOM 20 CA ALA 11 17.557 -20.398 -2.255 0.036
-ATOM 21 CB ALA 11 17.911 -19.779 -2.531 0.073
-ATOM 22 CA ALA 12 19.281 -23.748 -2.517 0.020
-ATOM 23 CB ALA 12 18.813 -24.075 -2.976 0.026
-ATOM 24 CA ALA 13 22.673 -23.840 -0.864 0.020
-ATOM 25 CB ALA 13 22.789 -24.089 -0.204 0.052
-ATOM 26 CA CYS 14 25.973 -25.133 -2.197 0.018
-ATOM 27 CB CYS 14 26.448 -24.115 -2.680 0.060
-ATOM 28 CA ALA 15 28.871 -27.259 -0.955 0.041
-ATOM 29 CB ALA 15 28.966 -28.014 -1.210 0.030
-ATOM 30 CA ALA 16 31.838 -25.761 0.945 0.047
-ATOM 31 CB ALA 16 32.098 -25.389 1.576 0.018
-ATOM 32 CA ALA 17 35.051 -27.529 1.951 0.026
-ATOM 33 CB ALA 17 35.176 -27.965 1.403 0.023
-ATOM 34 CA GLY 18 37.627 -26.815 4.715 0.000
+ATOM 1 CA GLY 1 18.766 -3.726 -1.499 0.016
+ATOM 2 CA ALA 2 16.789 -6.228 -3.510 0.051
+ATOM 3 CB ALA 2 16.730 -5.920 -4.195 0.079
+ATOM 4 CA ALA 3 18.299 -9.673 -2.863 0.018
+ATOM 5 CB ALA 3 19.061 -9.963 -2.784 0.088
+ATOM 6 CA ALA 4 15.999 -10.223 0.099 0.025
+ATOM 7 CB ALA 4 15.386 -9.784 -0.081 0.170
+ATOM 8 CA CYS 5 14.266 -13.367 1.138 0.009
+ATOM 9 CB CYS 5 15.289 -13.968 1.586 0.071
+ATOM 10 CA ALA 6 12.473 -13.777 4.494 0.005
+ATOM 11 CB ALA 6 12.377 -13.124 4.780 0.022
+ATOM 12 CA ALA 7 9.253 -14.963 2.729 0.021
+ATOM 13 CB ALA 7 9.541 -14.412 2.266 0.131
+ATOM 14 CA ALA 8 11.073 -17.895 1.029 0.012
+ATOM 15 CB ALA 8 11.773 -17.991 0.913 0.056
+ATOM 16 CA ALA 9 10.498 -21.604 1.739 0.007
+ATOM 17 CB ALA 9 10.127 -22.242 1.996 0.007
+ATOM 18 CA ALA 10 11.473 -22.573 -1.812 0.023
+ATOM 19 CB ALA 10 11.820 -21.929 -1.545 0.006
+ATOM 20 CA ALA 11 14.257 -25.219 -1.581 0.009
+ATOM 21 CB ALA 11 13.866 -25.725 -1.940 0.194
+ATOM 22 CA ALA 12 17.152 -22.662 -1.786 0.007
+ATOM 23 CB ALA 12 16.962 -22.228 -2.333 0.124
+ATOM 24 CA ALA 13 18.623 -20.063 0.631 0.014
+ATOM 25 CB ALA 13 19.002 -20.628 0.922 0.084
+ATOM 26 CA CYS 14 19.267 -16.305 0.151 0.005
+ATOM 27 CB CYS 14 18.466 -15.471 0.460 0.030
+ATOM 28 CA ALA 15 22.843 -15.102 -0.335 0.009
+ATOM 29 CB ALA 15 23.280 -15.319 -0.911 0.026
+ATOM 30 CA ALA 16 24.291 -11.793 0.794 0.019
+ATOM 31 CB ALA 16 24.527 -11.812 1.501 0.247
+ATOM 32 CA ALA 17 27.367 -10.027 -0.704 0.006
+ATOM 33 CB ALA 17 27.530 -9.674 -1.270 0.018
+ATOM 34 CA GLY 18 30.046 -7.374 -0.195 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1105.06 ENERGY -4.54388E+00
+REMARK time 1154.77 ENERGY 6.74455E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 5.829 2.911 -5.976 0.005
-ATOM 2 CA ALA 2 4.248 0.769 -3.237 0.005
-ATOM 3 CB ALA 2 4.738 0.314 -3.609 0.085
-ATOM 4 CA ALA 3 2.654 0.258 0.193 0.032
-ATOM 5 CB ALA 3 2.084 0.276 0.603 0.010
-ATOM 6 CA ALA 4 3.974 -3.336 0.428 0.003
-ATOM 7 CB ALA 4 3.721 -3.665 -0.231 0.059
-ATOM 8 CA CYS 5 7.564 -4.073 1.245 0.029
-ATOM 9 CB CYS 5 7.778 -3.966 2.518 0.031
-ATOM 10 CA ALA 6 9.707 -7.264 0.623 0.062
-ATOM 11 CB ALA 6 9.944 -7.466 0.009 0.045
-ATOM 12 CA ALA 7 10.886 -9.606 3.241 0.009
-ATOM 13 CB ALA 7 10.588 -9.895 3.933 0.220
-ATOM 14 CA ALA 8 13.622 -12.153 2.709 0.008
-ATOM 15 CB ALA 8 13.927 -12.235 3.418 0.068
-ATOM 16 CA ALA 9 13.686 -14.781 -0.069 0.011
-ATOM 17 CB ALA 9 14.218 -14.794 -0.684 0.039
-ATOM 18 CA ALA 10 15.858 -17.831 0.433 0.013
-ATOM 19 CB ALA 10 15.558 -18.424 0.552 0.166
-ATOM 20 CA ALA 11 19.126 -19.380 -0.844 0.035
-ATOM 21 CB ALA 11 19.782 -19.140 -0.560 0.032
-ATOM 22 CA ALA 12 19.590 -23.083 -1.847 0.002
-ATOM 23 CB ALA 12 19.570 -23.342 -2.559 0.008
-ATOM 24 CA ALA 13 22.724 -24.975 -0.789 0.012
-ATOM 25 CB ALA 13 22.534 -25.654 -0.448 0.072
-ATOM 26 CA CYS 14 26.350 -25.069 -1.846 0.002
-ATOM 27 CB CYS 14 26.659 -23.846 -1.934 0.061
-ATOM 28 CA ALA 15 29.069 -27.693 -1.232 0.007
-ATOM 29 CB ALA 15 29.438 -28.198 -1.648 0.098
-ATOM 30 CA ALA 16 31.901 -26.879 1.182 0.025
-ATOM 31 CB ALA 16 31.489 -26.880 1.772 0.068
-ATOM 32 CA ALA 17 35.514 -27.896 0.774 0.027
-ATOM 33 CB ALA 17 35.908 -27.561 0.264 0.042
-ATOM 34 CA GLY 18 37.565 -30.210 3.049 0.000
+ATOM 1 CA GLY 1 20.452 -5.511 -3.606 0.018
+ATOM 2 CA ALA 2 16.800 -5.652 -2.809 0.021
+ATOM 3 CB ALA 2 16.299 -5.835 -3.271 0.023
+ATOM 4 CA ALA 3 17.241 -8.903 -0.857 0.019
+ATOM 5 CB ALA 3 17.818 -9.323 -0.799 0.098
+ATOM 6 CA ALA 4 15.572 -10.692 2.028 0.004
+ATOM 7 CB ALA 4 15.213 -10.453 2.635 0.104
+ATOM 8 CA CYS 5 14.825 -13.938 0.185 0.029
+ATOM 9 CB CYS 5 15.966 -14.364 0.026 0.009
+ATOM 10 CA ALA 6 13.784 -16.715 2.449 0.070
+ATOM 11 CB ALA 6 13.931 -16.491 3.124 0.150
+ATOM 12 CA ALA 7 10.421 -15.096 2.918 0.028
+ATOM 13 CB ALA 7 10.282 -14.372 2.797 0.027
+ATOM 14 CA ALA 8 8.712 -17.364 0.333 0.021
+ATOM 15 CB ALA 8 9.147 -17.042 -0.236 0.013
+ATOM 16 CA ALA 9 7.527 -20.980 0.384 0.018
+ATOM 17 CB ALA 9 6.875 -21.123 0.283 0.083
+ATOM 18 CA ALA 10 10.970 -22.330 -0.175 0.006
+ATOM 19 CB ALA 10 11.329 -22.110 -0.764 0.018
+ATOM 20 CA ALA 11 14.544 -21.866 0.965 0.016
+ATOM 21 CB ALA 11 14.544 -22.201 1.637 0.060
+ATOM 22 CA ALA 12 17.433 -23.498 -0.740 0.015
+ATOM 23 CB ALA 12 17.251 -23.565 -1.435 0.125
+ATOM 24 CA ALA 13 19.853 -20.564 -0.344 0.010
+ATOM 25 CB ALA 13 20.377 -21.051 -0.127 0.139
+ATOM 26 CA CYS 14 20.123 -16.827 -1.025 0.002
+ATOM 27 CB CYS 14 19.306 -16.033 -0.590 0.191
+ATOM 28 CA ALA 15 23.455 -15.060 -0.738 0.005
+ATOM 29 CB ALA 15 23.956 -15.208 -1.275 0.203
+ATOM 30 CA ALA 16 24.316 -11.391 0.108 0.001
+ATOM 31 CB ALA 16 24.270 -11.035 0.746 0.119
+ATOM 32 CA ALA 17 27.747 -9.733 -0.445 0.033
+ATOM 33 CB ALA 17 28.016 -9.590 -1.195 0.031
+ATOM 34 CA GLY 18 28.675 -6.107 0.014 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1122.52 ENERGY 2.67272E+00
+REMARK time 1182.41 ENERGY -3.33339E-02
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 3.449 4.637 -6.531 0.007
-ATOM 2 CA ALA 2 4.072 1.606 -4.272 0.038
-ATOM 3 CB ALA 2 4.638 1.064 -4.236 0.047
-ATOM 4 CA ALA 3 3.106 0.603 -0.815 0.011
-ATOM 5 CB ALA 3 2.398 0.391 -0.847 0.113
-ATOM 6 CA ALA 4 3.847 -2.856 0.518 0.007
-ATOM 7 CB ALA 4 3.402 -3.409 0.250 0.029
-ATOM 8 CA CYS 5 7.045 -3.997 2.277 0.023
-ATOM 9 CB CYS 5 7.207 -3.912 3.485 0.023
-ATOM 10 CA ALA 6 9.108 -6.951 1.273 0.033
-ATOM 11 CB ALA 6 9.493 -6.840 0.569 0.012
-ATOM 12 CA ALA 7 10.380 -10.086 3.102 0.039
-ATOM 13 CB ALA 7 9.936 -10.423 3.521 0.019
-ATOM 14 CA ALA 8 13.637 -11.936 2.297 0.048
-ATOM 15 CB ALA 8 13.715 -12.233 3.032 0.131
-ATOM 16 CA ALA 9 13.849 -15.031 0.029 0.039
-ATOM 17 CB ALA 9 14.425 -15.064 -0.342 0.063
-ATOM 18 CA ALA 10 15.856 -18.198 0.924 0.003
-ATOM 19 CB ALA 10 16.349 -18.756 1.295 0.088
-ATOM 20 CA ALA 11 18.975 -19.551 -0.896 0.042
-ATOM 21 CB ALA 11 19.424 -19.060 -0.455 0.157
-ATOM 22 CA ALA 12 20.272 -22.928 -1.810 0.044
-ATOM 23 CB ALA 12 19.874 -23.144 -2.472 0.052
-ATOM 24 CA ALA 13 23.113 -24.793 -0.351 0.055
-ATOM 25 CB ALA 13 22.769 -25.253 0.058 0.001
-ATOM 26 CA CYS 14 26.495 -25.014 -1.998 0.023
-ATOM 27 CB CYS 14 27.240 -24.042 -1.580 0.008
-ATOM 28 CA ALA 15 29.242 -27.522 -1.185 0.007
-ATOM 29 CB ALA 15 29.345 -27.950 -1.692 0.017
-ATOM 30 CA ALA 16 32.322 -27.479 1.029 0.005
-ATOM 31 CB ALA 16 32.516 -27.638 1.787 0.108
-ATOM 32 CA ALA 17 35.933 -28.781 0.518 0.016
-ATOM 33 CB ALA 17 36.533 -28.246 0.551 0.057
-ATOM 34 CA GLY 18 37.945 -31.874 1.636 0.000
+ATOM 1 CA GLY 1 13.484 -2.969 -2.498 0.019
+ATOM 2 CA ALA 2 15.448 -6.218 -2.780 0.015
+ATOM 3 CB ALA 2 15.382 -6.688 -3.371 0.028
+ATOM 4 CA ALA 3 18.294 -6.800 -0.322 0.005
+ATOM 5 CB ALA 3 18.245 -6.340 0.295 0.104
+ATOM 6 CA ALA 4 19.344 -10.268 0.844 0.006
+ATOM 7 CB ALA 4 19.759 -10.162 1.430 0.176
+ATOM 8 CA CYS 5 16.838 -13.165 0.517 0.027
+ATOM 9 CB CYS 5 17.088 -14.143 -0.233 0.073
+ATOM 10 CA ALA 6 14.458 -14.741 3.034 0.024
+ATOM 11 CB ALA 6 14.025 -14.454 3.547 0.057
+ATOM 12 CA ALA 7 11.628 -14.177 0.606 0.028
+ATOM 13 CB ALA 7 11.882 -13.536 0.324 0.069
+ATOM 14 CA ALA 8 10.518 -17.322 -1.129 0.014
+ATOM 15 CB ALA 8 11.265 -17.402 -1.281 0.116
+ATOM 16 CA ALA 9 8.220 -19.812 0.664 0.006
+ATOM 17 CB ALA 9 7.531 -20.014 0.431 0.028
+ATOM 18 CA ALA 10 10.450 -22.775 -0.170 0.009
+ATOM 19 CB ALA 10 10.300 -23.073 -0.767 0.169
+ATOM 20 CA ALA 11 13.659 -23.584 1.744 0.027
+ATOM 21 CB ALA 11 13.226 -24.061 2.084 0.132
+ATOM 22 CA ALA 12 16.844 -23.955 -0.243 0.020
+ATOM 23 CB ALA 12 17.129 -24.205 -0.858 0.106
+ATOM 24 CA ALA 13 19.365 -21.123 0.275 0.032
+ATOM 25 CB ALA 13 19.873 -21.636 0.386 0.125
+ATOM 26 CA CYS 14 19.828 -17.611 -1.085 0.015
+ATOM 27 CB CYS 14 18.787 -16.964 -0.908 0.158
+ATOM 28 CA ALA 15 23.239 -16.174 -0.317 0.020
+ATOM 29 CB ALA 15 23.734 -15.980 -0.818 0.028
+ATOM 30 CA ALA 16 24.111 -12.747 1.180 0.023
+ATOM 31 CB ALA 16 24.238 -12.688 1.860 0.075
+ATOM 32 CA ALA 17 25.182 -9.706 -0.890 0.031
+ATOM 33 CB ALA 17 24.473 -9.474 -0.800 0.078
+ATOM 34 CA GLY 18 28.285 -7.745 -0.030 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1146.38 ENERGY -4.81760E+00
+REMARK time 1211.67 ENERGY 7.36117E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 3.521 5.640 -5.277 0.033
-ATOM 2 CA ALA 2 3.225 2.023 -4.104 0.062
-ATOM 3 CB ALA 2 3.123 1.457 -4.607 0.053
-ATOM 4 CA ALA 3 3.671 1.331 -0.363 0.005
-ATOM 5 CB ALA 3 3.012 1.647 -0.274 0.049
-ATOM 6 CA ALA 4 3.741 -2.515 0.002 0.004
-ATOM 7 CB ALA 4 3.388 -2.864 -0.475 0.015
-ATOM 8 CA CYS 5 6.647 -4.415 1.592 0.032
-ATOM 9 CB CYS 5 6.787 -4.035 2.803 0.023
-ATOM 10 CA ALA 6 8.347 -7.542 0.400 0.045
-ATOM 11 CB ALA 6 8.758 -7.677 -0.238 0.114
-ATOM 12 CA ALA 7 10.107 -10.119 2.630 0.035
-ATOM 13 CB ALA 7 9.474 -10.286 3.011 0.058
-ATOM 14 CA ALA 8 13.348 -12.146 2.466 0.022
-ATOM 15 CB ALA 8 13.571 -12.061 3.195 0.083
-ATOM 16 CA ALA 9 13.753 -15.350 0.459 0.040
-ATOM 17 CB ALA 9 13.722 -15.745 -0.117 0.026
-ATOM 18 CA ALA 10 15.578 -18.600 1.452 0.034
-ATOM 19 CB ALA 10 14.835 -18.580 1.577 0.211
-ATOM 20 CA ALA 11 18.964 -19.104 -0.224 0.049
-ATOM 21 CB ALA 11 19.674 -19.007 -0.177 0.031
-ATOM 22 CA ALA 12 20.733 -22.233 -1.241 0.037
-ATOM 23 CB ALA 12 21.146 -22.822 -1.560 0.035
-ATOM 24 CA ALA 13 23.882 -24.035 0.161 0.019
-ATOM 25 CB ALA 13 23.842 -24.606 0.674 0.004
-ATOM 26 CA CYS 14 27.348 -24.649 -1.380 0.010
-ATOM 27 CB CYS 14 28.378 -23.967 -1.062 0.024
-ATOM 28 CA ALA 15 29.667 -27.683 -1.401 0.007
-ATOM 29 CB ALA 15 29.479 -28.158 -1.829 0.112
-ATOM 30 CA ALA 16 33.006 -28.064 0.397 0.036
-ATOM 31 CB ALA 16 33.005 -27.768 1.103 0.013
-ATOM 32 CA ALA 17 35.459 -30.836 -0.275 0.034
-ATOM 33 CB ALA 17 35.291 -30.437 -0.962 0.020
-ATOM 34 CA GLY 18 38.379 -31.285 2.079 0.000
+ATOM 1 CA GLY 1 10.801 -5.186 -3.220 0.019
+ATOM 2 CA ALA 2 13.846 -4.753 -0.976 0.004
+ATOM 3 CB ALA 2 13.982 -5.106 -0.359 0.002
+ATOM 4 CA ALA 3 17.098 -6.404 -2.159 0.007
+ATOM 5 CB ALA 3 17.191 -5.782 -2.523 0.106
+ATOM 6 CA ALA 4 17.490 -8.805 0.791 0.036
+ATOM 7 CB ALA 4 17.494 -8.094 1.020 0.016
+ATOM 8 CA CYS 5 17.118 -12.627 0.802 0.045
+ATOM 9 CB CYS 5 17.931 -13.433 1.250 0.031
+ATOM 10 CA ALA 6 13.850 -12.516 2.761 0.072
+ATOM 11 CB ALA 6 13.142 -12.201 3.026 0.032
+ATOM 12 CA ALA 7 12.333 -14.802 0.191 0.014
+ATOM 13 CB ALA 7 12.820 -14.889 -0.355 0.027
+ATOM 14 CA ALA 8 11.037 -17.929 1.814 0.033
+ATOM 15 CB ALA 8 10.450 -17.481 1.956 0.100
+ATOM 16 CA ALA 9 8.981 -20.046 -0.492 0.017
+ATOM 17 CB ALA 9 8.508 -19.624 -0.498 0.011
+ATOM 18 CA ALA 10 12.070 -21.580 -2.146 0.020
+ATOM 19 CB ALA 10 12.244 -20.882 -2.231 0.020
+ATOM 20 CA ALA 11 13.342 -24.943 -0.761 0.022
+ATOM 21 CB ALA 11 13.507 -25.666 -0.715 0.040
+ATOM 22 CA ALA 12 16.904 -23.643 -0.223 0.005
+ATOM 23 CB ALA 12 17.310 -23.487 -0.806 0.023
+ATOM 24 CA ALA 13 18.896 -21.094 1.812 0.041
+ATOM 25 CB ALA 13 19.395 -21.560 2.181 0.091
+ATOM 26 CA CYS 14 19.482 -17.396 1.274 0.019
+ATOM 27 CB CYS 14 18.698 -16.597 1.866 0.179
+ATOM 28 CA ALA 15 22.658 -16.837 -0.742 0.027
+ATOM 29 CB ALA 15 22.423 -16.540 -1.345 0.133
+ATOM 30 CA ALA 16 25.535 -14.629 -0.034 0.017
+ATOM 31 CB ALA 16 26.235 -14.814 0.159 0.019
+ATOM 32 CA ALA 17 26.607 -11.377 -1.623 0.019
+ATOM 33 CB ALA 17 26.007 -11.008 -1.466 0.127
+ATOM 34 CA GLY 18 30.216 -10.318 -0.916 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1172.59 ENERGY -1.76739E+00
+REMARK time 1233.90 ENERGY -1.11079E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 3.144 6.183 -4.401 0.007
-ATOM 2 CA ALA 2 4.036 2.701 -3.202 0.023
-ATOM 3 CB ALA 2 4.637 2.270 -3.356 0.092
-ATOM 4 CA ALA 3 3.813 1.864 0.444 0.029
-ATOM 5 CB ALA 3 3.112 2.056 0.591 0.101
-ATOM 6 CA ALA 4 3.536 -1.938 0.130 0.010
-ATOM 7 CB ALA 4 2.877 -2.115 -0.129 0.033
-ATOM 8 CA CYS 5 6.015 -4.814 0.117 0.039
-ATOM 9 CB CYS 5 6.962 -4.410 0.842 0.071
-ATOM 10 CA ALA 6 6.338 -8.516 -0.282 0.027
-ATOM 11 CB ALA 6 6.329 -8.915 -0.824 0.051
-ATOM 12 CA ALA 7 8.652 -11.025 1.227 0.008
-ATOM 13 CB ALA 7 8.348 -11.393 1.872 0.195
-ATOM 14 CA ALA 8 12.113 -12.510 0.687 0.044
-ATOM 15 CB ALA 8 12.756 -12.147 0.603 0.072
-ATOM 16 CA ALA 9 13.923 -15.687 1.557 0.012
-ATOM 17 CB ALA 9 13.449 -15.979 1.030 0.176
-ATOM 18 CA ALA 10 17.490 -16.479 2.767 0.009
-ATOM 19 CB ALA 10 17.494 -16.694 3.483 0.055
-ATOM 20 CA ALA 11 20.083 -18.578 0.718 0.026
-ATOM 21 CB ALA 11 20.554 -18.265 0.353 0.034
-ATOM 22 CA ALA 12 21.389 -22.096 0.293 0.007
-ATOM 23 CB ALA 12 21.364 -22.316 -0.411 0.095
-ATOM 24 CA ALA 13 24.856 -23.486 1.263 0.010
-ATOM 25 CB ALA 13 24.622 -23.663 1.945 0.133
-ATOM 26 CA CYS 14 27.263 -25.023 -1.265 0.014
-ATOM 27 CB CYS 14 28.091 -24.296 -1.835 0.012
-ATOM 28 CA ALA 15 29.038 -28.421 -1.196 0.011
-ATOM 29 CB ALA 15 29.388 -29.104 -1.500 0.026
-ATOM 30 CA ALA 16 32.662 -28.960 -0.202 0.001
-ATOM 31 CB ALA 16 32.262 -28.581 0.382 0.052
-ATOM 32 CA ALA 17 35.757 -31.032 -0.909 0.010
-ATOM 33 CB ALA 17 36.070 -30.764 -1.420 0.016
-ATOM 34 CA GLY 18 38.818 -31.606 1.235 0.000
+ATOM 1 CA GLY 1 10.173 -4.394 -2.951 0.004
+ATOM 2 CA ALA 2 13.431 -4.963 -1.068 0.026
+ATOM 3 CB ALA 2 13.208 -4.850 -0.379 0.037
+ATOM 4 CA ALA 3 16.397 -6.992 -2.307 0.030
+ATOM 5 CB ALA 3 16.906 -6.474 -2.178 0.011
+ATOM 6 CA ALA 4 16.827 -9.910 0.117 0.045
+ATOM 7 CB ALA 4 16.723 -9.709 0.860 0.053
+ATOM 8 CA CYS 5 15.836 -13.562 0.471 0.026
+ATOM 9 CB CYS 5 16.679 -14.468 0.257 0.032
+ATOM 10 CA ALA 6 13.622 -13.091 3.550 0.111
+ATOM 11 CB ALA 6 13.277 -12.899 4.192 0.066
+ATOM 12 CA ALA 7 10.332 -14.428 2.079 0.004
+ATOM 13 CB ALA 7 10.391 -14.773 1.364 0.301
+ATOM 14 CA ALA 8 10.462 -18.144 1.831 0.021
+ATOM 15 CB ALA 8 10.288 -18.349 2.501 0.130
+ATOM 16 CA ALA 9 8.874 -19.375 -1.335 0.001
+ATOM 17 CB ALA 9 8.314 -18.906 -1.738 0.037
+ATOM 18 CA ALA 10 12.205 -20.785 -2.619 0.001
+ATOM 19 CB ALA 10 12.544 -20.309 -2.297 0.017
+ATOM 20 CA ALA 11 13.359 -23.847 -0.701 0.009
+ATOM 21 CB ALA 11 13.455 -24.528 -0.986 0.225
+ATOM 22 CA ALA 12 17.028 -22.724 -0.725 0.059
+ATOM 23 CB ALA 12 17.614 -22.686 -1.171 0.100
+ATOM 24 CA ALA 13 18.508 -20.052 1.535 0.023
+ATOM 25 CB ALA 13 18.724 -20.104 2.231 0.025
+ATOM 26 CA CYS 14 20.576 -16.938 1.006 0.012
+ATOM 27 CB CYS 14 19.920 -15.957 0.665 0.014
+ATOM 28 CA ALA 15 24.266 -16.536 1.673 0.016
+ATOM 29 CB ALA 15 24.531 -17.188 1.364 0.011
+ATOM 30 CA ALA 16 26.830 -13.801 1.142 0.011
+ATOM 31 CB ALA 16 27.200 -13.539 1.621 0.016
+ATOM 32 CA ALA 17 28.298 -13.284 -2.371 0.016
+ATOM 33 CB ALA 17 27.771 -13.501 -2.814 0.035
+ATOM 34 CA GLY 18 31.187 -11.061 -3.516 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1201.68 ENERGY -2.05976E+00
+REMARK time 1262.48 ENERGY 2.52546E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 6.447 4.798 -2.913 0.006
-ATOM 2 CA ALA 2 4.289 1.702 -3.046 0.007
-ATOM 3 CB ALA 2 4.303 1.130 -3.520 0.060
-ATOM 4 CA ALA 3 2.429 0.547 0.146 0.015
-ATOM 5 CB ALA 3 1.730 0.525 0.112 0.111
-ATOM 6 CA ALA 4 3.308 -3.149 0.412 0.021
-ATOM 7 CB ALA 4 3.315 -3.802 0.137 0.030
-ATOM 8 CA CYS 5 6.761 -4.722 1.124 0.015
-ATOM 9 CB CYS 5 6.397 -4.682 2.293 0.048
-ATOM 10 CA ALA 6 7.615 -7.828 -0.848 0.026
-ATOM 11 CB ALA 6 7.749 -7.767 -1.555 0.096
-ATOM 12 CA ALA 7 9.722 -10.707 0.548 0.013
-ATOM 13 CB ALA 7 9.044 -10.897 0.805 0.024
-ATOM 14 CA ALA 8 12.981 -11.570 -1.258 0.021
-ATOM 15 CB ALA 8 13.476 -11.052 -1.274 0.152
-ATOM 16 CA ALA 9 14.148 -15.140 -0.844 0.046
-ATOM 17 CB ALA 9 14.246 -15.377 -1.513 0.191
-ATOM 18 CA ALA 10 16.558 -16.546 1.733 0.017
-ATOM 19 CB ALA 10 16.612 -17.274 1.935 0.151
-ATOM 20 CA ALA 11 20.167 -17.811 1.653 0.007
-ATOM 21 CB ALA 11 20.828 -17.536 1.608 0.023
-ATOM 22 CA ALA 12 21.325 -21.380 2.343 0.012
-ATOM 23 CB ALA 12 20.744 -21.954 2.274 0.038
-ATOM 24 CA ALA 13 24.690 -23.075 2.412 0.015
-ATOM 25 CB ALA 13 25.122 -23.331 2.895 0.061
-ATOM 26 CA CYS 14 26.358 -25.627 0.148 0.022
-ATOM 27 CB CYS 14 26.446 -25.280 -0.967 0.044
-ATOM 28 CA ALA 15 29.515 -27.510 1.105 0.007
-ATOM 29 CB ALA 15 29.354 -28.295 1.103 0.140
-ATOM 30 CA ALA 16 32.870 -28.246 -0.559 0.015
-ATOM 31 CB ALA 16 33.191 -27.728 -0.057 0.021
-ATOM 32 CA ALA 17 34.574 -30.857 -2.834 0.037
-ATOM 33 CB ALA 17 34.533 -30.880 -3.581 0.112
-ATOM 34 CA GLY 18 37.993 -31.738 -1.650 0.000
+ATOM 1 CA GLY 1 13.538 -2.976 -1.987 0.067
+ATOM 2 CA ALA 2 13.464 -6.571 -2.957 0.016
+ATOM 3 CB ALA 2 13.242 -6.200 -3.608 0.002
+ATOM 4 CA ALA 3 16.776 -7.389 -1.155 0.010
+ATOM 5 CB ALA 3 17.199 -7.285 -0.579 0.102
+ATOM 6 CA ALA 4 15.119 -10.145 0.867 0.033
+ATOM 7 CB ALA 4 14.573 -9.657 0.937 0.071
+ATOM 8 CA CYS 5 16.070 -13.865 0.525 0.054
+ATOM 9 CB CYS 5 17.210 -13.840 0.326 0.031
+ATOM 10 CA ALA 6 14.693 -15.903 3.450 0.007
+ATOM 11 CB ALA 6 15.245 -15.899 4.031 0.005
+ATOM 12 CA ALA 7 11.147 -15.407 2.239 0.017
+ATOM 13 CB ALA 7 11.031 -14.853 1.702 0.004
+ATOM 14 CA ALA 8 8.307 -17.969 2.309 0.003
+ATOM 15 CB ALA 8 8.081 -17.702 2.984 0.032
+ATOM 16 CA ALA 9 7.322 -20.007 -0.741 0.004
+ATOM 17 CB ALA 9 6.648 -19.790 -0.996 0.007
+ATOM 18 CA ALA 10 10.878 -20.337 -1.972 0.027
+ATOM 19 CB ALA 10 11.177 -19.738 -2.372 0.069
+ATOM 20 CA ALA 11 13.082 -22.223 0.467 0.010
+ATOM 21 CB ALA 11 12.578 -22.777 0.578 0.179
+ATOM 22 CA ALA 12 16.677 -22.228 -0.696 0.059
+ATOM 23 CB ALA 12 16.476 -22.251 -1.416 0.203
+ATOM 24 CA ALA 13 19.500 -20.138 0.790 0.014
+ATOM 25 CB ALA 13 19.434 -20.866 0.940 0.019
+ATOM 26 CA CYS 14 20.973 -16.758 0.003 0.017
+ATOM 27 CB CYS 14 20.200 -15.821 0.268 0.038
+ATOM 28 CA ALA 15 24.718 -16.366 -0.500 0.040
+ATOM 29 CB ALA 15 25.198 -16.431 -0.988 0.096
+ATOM 30 CA ALA 16 26.279 -12.872 -0.535 0.050
+ATOM 31 CB ALA 16 26.069 -12.496 0.043 0.026
+ATOM 32 CA ALA 17 29.760 -12.170 -1.625 0.053
+ATOM 33 CB ALA 17 30.017 -11.937 -2.323 0.027
+ATOM 34 CA GLY 18 32.136 -11.379 1.124 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1230.32 ENERGY 3.71247E+00
+REMARK time 1287.40 ENERGY 4.24083E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 3.203 5.334 -3.482 0.029
-ATOM 2 CA ALA 2 4.672 2.042 -2.258 0.040
-ATOM 3 CB ALA 2 5.226 2.279 -1.959 0.011
-ATOM 4 CA ALA 3 2.660 0.141 0.481 0.003
-ATOM 5 CB ALA 3 2.201 0.610 0.908 0.054
-ATOM 6 CA ALA 4 3.088 -3.609 -0.094 0.013
-ATOM 7 CB ALA 4 2.490 -3.575 -0.588 0.105
-ATOM 8 CA CYS 5 6.621 -5.075 0.320 0.012
-ATOM 9 CB CYS 5 7.540 -4.904 1.083 0.015
-ATOM 10 CA ALA 6 8.189 -7.954 -1.616 0.027
-ATOM 11 CB ALA 6 8.610 -7.927 -2.185 0.085
-ATOM 12 CA ALA 7 9.241 -11.507 -0.614 0.020
-ATOM 13 CB ALA 7 9.456 -12.160 -0.768 0.025
-ATOM 14 CA ALA 8 12.907 -11.920 0.524 0.029
-ATOM 15 CB ALA 8 12.801 -11.699 1.209 0.153
-ATOM 16 CA ALA 9 15.245 -14.797 -0.263 0.086
-ATOM 17 CB ALA 9 15.582 -15.014 -0.819 0.052
-ATOM 18 CA ALA 10 17.964 -16.319 1.894 0.015
-ATOM 19 CB ALA 10 17.962 -16.777 2.476 0.084
-ATOM 20 CA ALA 11 20.203 -18.614 -0.030 0.037
-ATOM 21 CB ALA 11 20.232 -17.983 -0.461 0.049
-ATOM 22 CA ALA 12 21.142 -21.833 1.982 0.002
-ATOM 23 CB ALA 12 20.498 -22.250 1.833 0.041
-ATOM 24 CA ALA 13 24.686 -22.840 2.986 0.014
-ATOM 25 CB ALA 13 24.687 -23.134 3.622 0.186
-ATOM 26 CA CYS 14 26.993 -25.239 1.191 0.006
-ATOM 27 CB CYS 14 27.207 -24.567 0.180 0.004
-ATOM 28 CA ALA 15 29.662 -27.649 2.120 0.012
-ATOM 29 CB ALA 15 29.565 -28.333 2.275 0.027
-ATOM 30 CA ALA 16 32.875 -27.802 0.102 0.018
-ATOM 31 CB ALA 16 33.523 -28.007 0.237 0.009
-ATOM 32 CA ALA 17 32.706 -30.060 -3.018 0.030
-ATOM 33 CB ALA 17 32.538 -29.834 -3.685 0.142
-ATOM 34 CA GLY 18 35.319 -32.081 -4.909 0.000
+ATOM 1 CA GLY 1 14.831 -5.490 -5.764 0.037
+ATOM 2 CA ALA 2 15.352 -7.265 -2.435 0.014
+ATOM 3 CB ALA 2 14.816 -7.543 -2.123 0.061
+ATOM 4 CA ALA 3 18.882 -8.569 -1.635 0.009
+ATOM 5 CB ALA 3 19.688 -8.445 -1.718 0.106
+ATOM 6 CA ALA 4 17.703 -9.880 1.706 0.011
+ATOM 7 CB ALA 4 17.654 -9.460 2.239 0.020
+ATOM 8 CA CYS 5 15.720 -13.119 0.975 0.027
+ATOM 9 CB CYS 5 16.481 -13.836 0.348 0.075
+ATOM 10 CA ALA 6 14.493 -14.535 4.265 0.039
+ATOM 11 CB ALA 6 13.968 -14.556 4.891 0.038
+ATOM 12 CA ALA 7 10.808 -14.539 3.249 0.015
+ATOM 13 CB ALA 7 10.660 -14.795 2.597 0.000
+ATOM 14 CA ALA 8 9.515 -18.143 3.380 0.031
+ATOM 15 CB ALA 8 8.905 -18.302 3.737 0.074
+ATOM 16 CA ALA 9 8.021 -19.640 0.243 0.030
+ATOM 17 CB ALA 9 7.288 -19.714 0.088 0.027
+ATOM 18 CA ALA 10 11.572 -20.100 -1.089 0.027
+ATOM 19 CB ALA 10 12.201 -19.784 -0.689 0.157
+ATOM 20 CA ALA 11 12.979 -23.615 -0.737 0.019
+ATOM 21 CB ALA 11 12.917 -24.113 -1.213 0.040
+ATOM 22 CA ALA 12 16.252 -22.832 -2.522 0.009
+ATOM 23 CB ALA 12 16.253 -22.617 -3.241 0.029
+ATOM 24 CA ALA 13 18.220 -20.229 -0.611 0.011
+ATOM 25 CB ALA 13 18.712 -20.574 -0.252 0.094
+ATOM 26 CA CYS 14 19.778 -17.028 -1.710 0.009
+ATOM 27 CB CYS 14 19.083 -16.006 -1.601 0.033
+ATOM 28 CA ALA 15 23.293 -15.804 -0.787 0.014
+ATOM 29 CB ALA 15 23.744 -15.988 -1.231 0.058
+ATOM 30 CA ALA 16 24.823 -12.752 0.873 0.011
+ATOM 31 CB ALA 16 24.665 -12.223 1.465 0.003
+ATOM 32 CA ALA 17 28.017 -11.059 -0.232 0.059
+ATOM 33 CB ALA 17 28.048 -10.705 -0.924 0.086
+ATOM 34 CA GLY 18 31.095 -9.327 1.282 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1251.89 ENERGY -5.30769E+00
+REMARK time 1313.36 ENERGY -6.33058E-03
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 3.136 7.086 -3.112 0.011
-ATOM 2 CA ALA 2 1.919 3.747 -1.937 0.003
-ATOM 3 CB ALA 2 1.374 3.377 -2.316 0.096
-ATOM 4 CA ALA 3 3.643 0.895 -0.073 0.005
-ATOM 5 CB ALA 3 3.693 0.743 0.669 0.041
-ATOM 6 CA ALA 4 3.652 -2.731 -1.080 0.016
-ATOM 7 CB ALA 4 3.352 -2.413 -1.688 0.049
-ATOM 8 CA CYS 5 5.706 -5.568 0.486 0.020
-ATOM 9 CB CYS 5 5.702 -6.157 1.605 0.057
-ATOM 10 CA ALA 6 8.213 -7.524 -1.576 0.015
-ATOM 11 CB ALA 6 8.592 -7.060 -2.003 0.019
-ATOM 12 CA ALA 7 9.533 -11.009 -0.690 0.003
-ATOM 13 CB ALA 7 9.172 -11.592 -0.896 0.098
-ATOM 14 CA ALA 8 13.248 -12.051 -0.907 0.013
-ATOM 15 CB ALA 8 13.019 -11.885 -0.166 0.006
-ATOM 16 CA ALA 9 14.715 -15.472 -0.042 0.046
-ATOM 17 CB ALA 9 14.626 -16.069 -0.521 0.022
-ATOM 18 CA ALA 10 17.824 -16.453 2.119 0.041
-ATOM 19 CB ALA 10 17.942 -16.759 2.838 0.036
-ATOM 20 CA ALA 11 21.190 -18.334 1.874 0.004
-ATOM 21 CB ALA 11 21.935 -18.322 1.877 0.188
-ATOM 22 CA ALA 12 21.241 -21.972 2.832 0.110
-ATOM 23 CB ALA 12 21.436 -22.605 2.572 0.065
-ATOM 24 CA ALA 13 24.645 -23.687 3.434 0.006
-ATOM 25 CB ALA 13 24.588 -24.211 4.007 0.227
-ATOM 26 CA CYS 14 27.436 -24.601 0.977 0.013
-ATOM 27 CB CYS 14 28.163 -23.585 0.579 0.012
-ATOM 28 CA ALA 15 29.885 -27.511 1.293 0.065
-ATOM 29 CB ALA 15 29.827 -28.176 1.332 0.013
-ATOM 30 CA ALA 16 32.990 -28.593 -0.692 0.008
-ATOM 31 CB ALA 16 33.636 -28.597 -0.325 0.033
-ATOM 32 CA ALA 17 33.455 -31.023 -3.594 0.004
-ATOM 33 CB ALA 17 33.291 -30.976 -4.262 0.022
-ATOM 34 CA GLY 18 35.435 -34.189 -4.482 0.000
+ATOM 1 CA GLY 1 16.793 -5.843 -5.728 0.048
+ATOM 2 CA ALA 2 15.613 -8.992 -4.161 0.006
+ATOM 3 CB ALA 2 15.439 -9.562 -4.556 0.152
+ATOM 4 CA ALA 3 19.122 -10.010 -3.120 0.007
+ATOM 5 CB ALA 3 19.625 -9.495 -3.381 0.105
+ATOM 6 CA ALA 4 18.160 -10.210 0.583 0.026
+ATOM 7 CB ALA 4 18.187 -9.587 1.087 0.081
+ATOM 8 CA CYS 5 15.664 -13.062 0.911 0.008
+ATOM 9 CB CYS 5 16.355 -14.038 0.519 0.021
+ATOM 10 CA ALA 6 15.217 -14.706 4.314 0.034
+ATOM 11 CB ALA 6 15.354 -14.161 4.777 0.107
+ATOM 12 CA ALA 7 11.663 -15.214 5.534 0.007
+ATOM 13 CB ALA 7 11.437 -14.708 5.097 0.278
+ATOM 14 CA ALA 8 10.920 -18.752 4.332 0.030
+ATOM 15 CB ALA 8 11.053 -18.668 5.111 0.036
+ATOM 16 CA ALA 9 9.010 -18.399 1.049 0.008
+ATOM 17 CB ALA 9 8.748 -17.816 0.575 0.027
+ATOM 18 CA ALA 10 12.190 -18.436 -1.036 0.006
+ATOM 19 CB ALA 10 12.763 -17.877 -0.981 0.040
+ATOM 20 CA ALA 11 12.383 -22.062 -2.178 0.004
+ATOM 21 CB ALA 11 12.204 -22.716 -2.466 0.009
+ATOM 22 CA ALA 12 15.468 -21.194 -4.227 0.019
+ATOM 23 CB ALA 12 15.588 -20.929 -4.999 0.055
+ATOM 24 CA ALA 13 18.372 -21.235 -1.710 0.009
+ATOM 25 CB ALA 13 18.798 -21.851 -1.613 0.065
+ATOM 26 CA CYS 14 19.604 -17.773 -0.673 0.073
+ATOM 27 CB CYS 14 18.727 -17.014 -0.331 0.004
+ATOM 28 CA ALA 15 23.108 -16.468 -0.253 0.042
+ATOM 29 CB ALA 15 23.479 -16.379 -0.867 0.141
+ATOM 30 CA ALA 16 24.462 -13.514 1.757 0.004
+ATOM 31 CB ALA 16 25.068 -13.303 2.229 0.036
+ATOM 32 CA ALA 17 24.707 -9.854 0.720 0.018
+ATOM 33 CB ALA 17 24.634 -9.194 0.392 0.149
+ATOM 34 CA GLY 18 27.395 -8.058 2.717 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1270.15 ENERGY -1.06723E+01
+REMARK time 1343.36 ENERGY 8.13273E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 0.300 6.143 -1.846 0.008
-ATOM 2 CA ALA 2 2.060 3.171 -0.374 0.012
-ATOM 3 CB ALA 2 1.627 2.711 -0.020 0.074
-ATOM 4 CA ALA 3 4.704 1.065 -2.035 0.031
-ATOM 5 CB ALA 3 5.421 1.020 -2.152 0.122
-ATOM 6 CA ALA 4 3.825 -2.617 -2.357 0.014
-ATOM 7 CB ALA 4 3.614 -2.410 -3.021 0.016
-ATOM 8 CA CYS 5 5.176 -5.544 -0.308 0.015
-ATOM 9 CB CYS 5 4.587 -6.029 0.653 0.004
-ATOM 10 CA ALA 6 8.481 -7.168 -1.092 0.011
-ATOM 11 CB ALA 6 9.102 -6.837 -1.464 0.112
-ATOM 12 CA ALA 7 9.902 -10.218 0.654 0.012
-ATOM 13 CB ALA 7 9.745 -10.899 0.373 0.027
-ATOM 14 CA ALA 8 13.480 -11.520 0.437 0.068
-ATOM 15 CB ALA 8 13.888 -11.403 1.020 0.116
-ATOM 16 CA ALA 9 14.845 -15.037 -0.284 0.035
-ATOM 17 CB ALA 9 14.801 -14.726 -0.982 0.116
-ATOM 18 CA ALA 10 16.881 -17.028 2.212 0.009
-ATOM 19 CB ALA 10 16.430 -17.659 2.275 0.008
-ATOM 20 CA ALA 11 20.550 -18.333 2.306 0.012
-ATOM 21 CB ALA 11 21.140 -17.949 2.474 0.037
-ATOM 22 CA ALA 12 22.191 -21.737 2.905 0.065
-ATOM 23 CB ALA 12 21.522 -21.601 2.507 0.065
-ATOM 24 CA ALA 13 25.704 -23.060 3.284 0.029
-ATOM 25 CB ALA 13 25.939 -23.336 3.955 0.104
-ATOM 26 CA CYS 14 27.216 -25.434 0.774 0.016
-ATOM 27 CB CYS 14 27.670 -24.596 -0.068 0.028
-ATOM 28 CA ALA 15 29.417 -28.424 0.971 0.007
-ATOM 29 CB ALA 15 28.987 -28.895 0.780 0.058
-ATOM 30 CA ALA 16 32.788 -28.981 -0.480 0.045
-ATOM 31 CB ALA 16 33.358 -29.304 -0.145 0.117
-ATOM 32 CA ALA 17 33.736 -31.325 -3.312 0.033
-ATOM 33 CB ALA 17 33.344 -31.339 -3.990 0.063
-ATOM 34 CA GLY 18 37.013 -32.921 -4.542 0.000
+ATOM 1 CA GLY 1 15.405 -7.079 -7.096 0.005
+ATOM 2 CA ALA 2 13.806 -9.586 -4.669 0.030
+ATOM 3 CB ALA 2 13.263 -9.946 -4.895 0.017
+ATOM 4 CA ALA 3 16.990 -11.700 -4.711 0.028
+ATOM 5 CB ALA 3 17.643 -11.877 -5.085 0.058
+ATOM 6 CA ALA 4 18.235 -10.764 -1.224 0.015
+ATOM 7 CB ALA 4 18.202 -10.348 -0.585 0.021
+ATOM 8 CA CYS 5 16.740 -13.574 0.860 0.063
+ATOM 9 CB CYS 5 17.724 -14.375 1.026 0.021
+ATOM 10 CA ALA 6 16.305 -13.771 4.582 0.034
+ATOM 11 CB ALA 6 16.077 -13.549 5.369 0.009
+ATOM 12 CA ALA 7 12.598 -14.682 4.283 0.102
+ATOM 13 CB ALA 7 11.944 -14.407 3.955 0.048
+ATOM 14 CA ALA 8 11.850 -18.358 4.864 0.056
+ATOM 15 CB ALA 8 11.430 -18.267 5.443 0.094
+ATOM 16 CA ALA 9 9.356 -18.203 2.029 0.018
+ATOM 17 CB ALA 9 8.708 -18.105 2.437 0.021
+ATOM 18 CA ALA 10 11.453 -18.185 -1.086 0.012
+ATOM 19 CB ALA 10 12.184 -17.911 -1.334 0.065
+ATOM 20 CA ALA 11 11.813 -20.279 -4.237 0.051
+ATOM 21 CB ALA 11 11.223 -20.407 -4.706 0.030
+ATOM 22 CA ALA 12 15.639 -20.435 -4.075 0.002
+ATOM 23 CB ALA 12 16.091 -19.951 -4.361 0.041
+ATOM 24 CA ALA 13 18.406 -21.001 -1.532 0.017
+ATOM 25 CB ALA 13 18.479 -21.737 -1.565 0.007
+ATOM 26 CA CYS 14 20.276 -17.725 -1.225 0.017
+ATOM 27 CB CYS 14 19.520 -16.992 -0.649 0.057
+ATOM 28 CA ALA 15 23.315 -15.969 0.327 0.008
+ATOM 29 CB ALA 15 24.004 -15.804 0.111 0.028
+ATOM 30 CA ALA 16 24.525 -13.697 3.111 0.045
+ATOM 31 CB ALA 16 24.783 -13.963 3.797 0.040
+ATOM 32 CA ALA 17 25.585 -10.152 2.467 0.033
+ATOM 33 CB ALA 17 24.995 -9.691 2.295 0.072
+ATOM 34 CA GLY 18 26.343 -8.699 5.913 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1295.11 ENERGY -1.46210E+01
+REMARK time 1369.44 ENERGY 7.47126E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.196 5.572 -0.392 0.034
-ATOM 2 CA ALA 2 0.981 2.488 -0.291 0.018
-ATOM 3 CB ALA 2 0.672 1.824 -0.161 0.060
-ATOM 4 CA ALA 3 3.064 0.752 -2.983 0.091
-ATOM 5 CB ALA 3 3.422 1.379 -2.729 0.057
-ATOM 6 CA ALA 4 4.057 -2.893 -2.591 0.045
-ATOM 7 CB ALA 4 3.681 -3.408 -3.118 0.029
-ATOM 8 CA CYS 5 7.537 -4.036 -1.640 0.000
-ATOM 9 CB CYS 5 7.669 -3.495 -0.497 0.048
-ATOM 10 CA ALA 6 8.980 -7.480 -1.019 0.001
-ATOM 11 CB ALA 6 9.369 -7.741 -1.558 0.085
-ATOM 12 CA ALA 7 9.892 -9.889 1.867 0.005
-ATOM 13 CB ALA 7 9.695 -10.482 2.415 0.047
-ATOM 14 CA ALA 8 13.573 -10.965 2.152 0.010
-ATOM 15 CB ALA 8 13.653 -10.529 2.817 0.056
-ATOM 16 CA ALA 9 14.628 -14.516 1.132 0.038
-ATOM 17 CB ALA 9 14.732 -14.605 0.387 0.015
-ATOM 18 CA ALA 10 17.057 -16.884 2.867 0.028
-ATOM 19 CB ALA 10 16.511 -17.209 3.187 0.043
-ATOM 20 CA ALA 11 19.849 -18.727 1.042 0.048
-ATOM 21 CB ALA 11 20.486 -18.388 1.016 0.277
-ATOM 22 CA ALA 12 21.354 -22.216 0.954 0.005
-ATOM 23 CB ALA 12 21.105 -22.515 0.358 0.280
-ATOM 24 CA ALA 13 24.801 -23.396 2.000 0.012
-ATOM 25 CB ALA 13 25.199 -23.479 2.644 0.044
-ATOM 26 CA CYS 14 27.007 -26.218 0.613 0.032
-ATOM 27 CB CYS 14 27.600 -25.989 -0.467 0.031
-ATOM 28 CA ALA 15 29.865 -28.379 1.832 0.091
-ATOM 29 CB ALA 15 29.808 -28.868 2.323 0.021
-ATOM 30 CA ALA 16 32.521 -29.115 -0.851 0.023
-ATOM 31 CB ALA 16 32.891 -28.528 -0.545 0.042
-ATOM 32 CA ALA 17 34.370 -31.844 -2.789 0.061
-ATOM 33 CB ALA 17 34.130 -32.001 -3.480 0.129
-ATOM 34 CA GLY 18 38.035 -31.366 -3.740 0.000
+ATOM 1 CA GLY 1 12.647 -6.477 -6.611 0.043
+ATOM 2 CA ALA 2 12.910 -10.247 -6.484 0.021
+ATOM 3 CB ALA 2 12.719 -10.801 -6.884 0.036
+ATOM 4 CA ALA 3 16.698 -10.358 -5.891 0.041
+ATOM 5 CB ALA 3 17.254 -9.858 -5.980 0.039
+ATOM 6 CA ALA 4 16.189 -9.692 -2.139 0.031
+ATOM 7 CB ALA 4 15.692 -9.089 -2.467 0.051
+ATOM 8 CA CYS 5 16.515 -12.503 0.483 0.011
+ATOM 9 CB CYS 5 16.660 -13.690 0.054 0.032
+ATOM 10 CA ALA 6 16.013 -11.450 4.108 0.004
+ATOM 11 CB ALA 6 15.815 -10.888 4.437 0.046
+ATOM 12 CA ALA 7 13.988 -14.583 5.017 0.011
+ATOM 13 CB ALA 7 13.358 -14.828 5.046 0.022
+ATOM 14 CA ALA 8 13.495 -18.068 3.512 0.007
+ATOM 15 CB ALA 8 13.563 -18.779 3.353 0.049
+ATOM 16 CA ALA 9 10.249 -18.388 1.520 0.026
+ATOM 17 CB ALA 9 9.744 -17.874 1.728 0.180
+ATOM 18 CA ALA 10 10.183 -20.142 -1.898 0.006
+ATOM 19 CB ALA 10 9.855 -19.704 -2.371 0.101
+ATOM 20 CA ALA 11 13.061 -22.695 -2.157 0.030
+ATOM 21 CB ALA 11 12.381 -22.971 -2.189 0.053
+ATOM 22 CA ALA 12 15.280 -20.403 -4.099 0.007
+ATOM 23 CB ALA 12 14.963 -19.747 -4.192 0.092
+ATOM 24 CA ALA 13 18.589 -19.595 -2.431 0.004
+ATOM 25 CB ALA 13 19.215 -19.944 -2.690 0.052
+ATOM 26 CA CYS 14 19.576 -16.727 -0.024 0.029
+ATOM 27 CB CYS 14 18.632 -16.560 0.699 0.011
+ATOM 28 CA ALA 15 23.004 -15.678 1.049 0.054
+ATOM 29 CB ALA 15 23.614 -15.289 0.799 0.016
+ATOM 30 CA ALA 16 24.564 -14.318 4.179 0.014
+ATOM 31 CB ALA 16 24.766 -14.424 4.944 0.012
+ATOM 32 CA ALA 17 27.411 -11.961 4.993 0.044
+ATOM 33 CB ALA 17 27.028 -11.294 4.964 0.072
+ATOM 34 CA GLY 18 30.593 -13.076 6.711 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1318.27 ENERGY -1.19986E+01
+REMARK time 1395.93 ENERGY 8.72304E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.071 2.406 -3.379 0.013
-ATOM 2 CA ALA 2 0.165 3.353 -1.511 0.051
-ATOM 3 CB ALA 2 0.424 3.469 -0.870 0.073
-ATOM 4 CA ALA 3 2.811 0.672 -2.133 0.021
-ATOM 5 CB ALA 3 3.278 0.731 -2.715 0.064
-ATOM 6 CA ALA 4 4.443 -2.024 -0.105 0.035
-ATOM 7 CB ALA 4 3.968 -2.510 0.070 0.173
-ATOM 8 CA CYS 5 7.951 -3.375 -0.341 0.057
-ATOM 9 CB CYS 5 8.298 -3.264 0.803 0.002
-ATOM 10 CA ALA 6 9.066 -6.896 -1.163 0.018
-ATOM 11 CB ALA 6 9.441 -6.980 -1.790 0.029
-ATOM 12 CA ALA 7 11.274 -9.383 0.774 0.006
-ATOM 13 CB ALA 7 11.557 -9.707 1.410 0.004
-ATOM 14 CA ALA 8 13.853 -12.164 0.221 0.026
-ATOM 15 CB ALA 8 14.460 -11.844 0.071 0.064
-ATOM 16 CA ALA 9 14.458 -15.099 2.450 0.086
-ATOM 17 CB ALA 9 14.096 -15.685 2.589 0.098
-ATOM 18 CA ALA 10 17.808 -16.574 3.524 0.013
-ATOM 19 CB ALA 10 17.965 -16.378 4.210 0.003
-ATOM 20 CA ALA 11 19.208 -19.152 1.094 0.070
-ATOM 21 CB ALA 11 19.257 -18.951 0.287 0.181
-ATOM 22 CA ALA 12 20.791 -22.500 1.940 0.019
-ATOM 23 CB ALA 12 20.436 -23.101 1.879 0.210
-ATOM 24 CA ALA 13 24.279 -23.601 0.882 0.022
-ATOM 25 CB ALA 13 24.758 -23.514 1.384 0.024
-ATOM 26 CA CYS 14 26.437 -26.023 -1.101 0.040
-ATOM 27 CB CYS 14 26.528 -25.696 -2.251 0.004
-ATOM 28 CA ALA 15 29.440 -27.943 0.189 0.016
-ATOM 29 CB ALA 15 29.352 -28.332 0.829 0.011
-ATOM 30 CA ALA 16 32.427 -29.261 -1.730 0.008
-ATOM 31 CB ALA 16 33.103 -29.031 -1.724 0.080
-ATOM 32 CA ALA 17 35.259 -31.600 -0.724 0.016
-ATOM 33 CB ALA 17 35.024 -32.238 -0.436 0.006
-ATOM 34 CA GLY 18 39.088 -31.565 -1.203 0.000
+ATOM 1 CA GLY 1 10.785 -8.047 -10.086 0.009
+ATOM 2 CA ALA 2 12.306 -8.763 -6.710 0.063
+ATOM 3 CB ALA 2 12.504 -9.357 -6.302 0.029
+ATOM 4 CA ALA 3 15.738 -7.750 -5.386 0.001
+ATOM 5 CB ALA 3 15.813 -7.098 -5.081 0.065
+ATOM 6 CA ALA 4 15.034 -9.145 -1.962 0.012
+ATOM 7 CB ALA 4 14.555 -8.761 -1.572 0.012
+ATOM 8 CA CYS 5 16.043 -12.499 -0.550 0.015
+ATOM 9 CB CYS 5 17.169 -13.063 -0.834 0.051
+ATOM 10 CA ALA 6 15.045 -12.097 3.089 0.035
+ATOM 11 CB ALA 6 15.059 -11.520 3.582 0.023
+ATOM 12 CA ALA 7 11.889 -14.037 2.470 0.026
+ATOM 13 CB ALA 7 11.124 -14.016 2.323 0.111
+ATOM 14 CA ALA 8 13.862 -17.265 2.570 0.056
+ATOM 15 CB ALA 8 14.533 -17.269 3.048 0.184
+ATOM 16 CA ALA 9 10.421 -18.972 3.021 0.024
+ATOM 17 CB ALA 9 9.704 -18.890 3.317 0.081
+ATOM 18 CA ALA 10 10.108 -20.595 -0.422 0.029
+ATOM 19 CB ALA 10 9.929 -19.971 -0.457 0.225
+ATOM 20 CA ALA 11 12.936 -22.907 -1.599 0.033
+ATOM 21 CB ALA 11 12.854 -23.529 -2.114 0.018
+ATOM 22 CA ALA 12 16.014 -21.310 -2.889 0.042
+ATOM 23 CB ALA 12 16.041 -21.187 -3.603 0.162
+ATOM 24 CA ALA 13 18.978 -19.600 -1.172 0.007
+ATOM 25 CB ALA 13 19.411 -20.116 -0.915 0.026
+ATOM 26 CA CYS 14 20.765 -16.191 -1.248 0.010
+ATOM 27 CB CYS 14 19.859 -15.483 -0.687 0.003
+ATOM 28 CA ALA 15 23.855 -15.487 1.020 0.010
+ATOM 29 CB ALA 15 24.072 -15.075 0.548 0.119
+ATOM 30 CA ALA 16 25.322 -15.236 4.561 0.009
+ATOM 31 CB ALA 16 25.318 -15.959 4.800 0.066
+ATOM 32 CA ALA 17 28.360 -13.620 6.330 0.003
+ATOM 33 CB ALA 17 28.550 -13.007 6.690 0.048
+ATOM 34 CA GLY 18 31.236 -15.743 7.741 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1340.75 ENERGY -3.83000E+00
+REMARK time 1425.48 ENERGY 9.54736E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.653 2.024 -3.489 0.000
-ATOM 2 CA ALA 2 0.129 2.092 -2.712 0.005
-ATOM 3 CB ALA 2 -0.126 2.826 -2.377 0.041
-ATOM 4 CA ALA 3 3.076 -0.335 -2.528 0.073
-ATOM 5 CB ALA 3 3.576 -0.072 -2.942 0.103
-ATOM 6 CA ALA 4 4.884 -1.848 0.476 0.053
-ATOM 7 CB ALA 4 4.416 -2.333 0.639 0.038
-ATOM 8 CA CYS 5 8.442 -3.350 0.410 0.054
-ATOM 9 CB CYS 5 9.231 -2.330 0.326 0.012
-ATOM 10 CA ALA 6 8.900 -6.715 2.099 0.018
-ATOM 11 CB ALA 6 8.225 -7.087 2.407 0.257
-ATOM 12 CA ALA 7 12.163 -8.552 2.253 0.007
-ATOM 13 CB ALA 7 12.533 -8.738 2.965 0.131
-ATOM 14 CA ALA 8 13.372 -11.711 0.510 0.011
-ATOM 15 CB ALA 8 13.593 -11.091 0.164 0.038
-ATOM 16 CA ALA 9 14.393 -15.252 1.485 0.022
-ATOM 17 CB ALA 9 13.806 -15.687 1.845 0.016
-ATOM 18 CA ALA 10 17.547 -17.022 0.213 0.033
-ATOM 19 CB ALA 10 18.203 -16.600 0.019 0.044
-ATOM 20 CA ALA 11 18.351 -20.595 1.040 0.021
-ATOM 21 CB ALA 11 18.243 -20.903 0.368 0.007
-ATOM 22 CA ALA 12 21.878 -21.822 1.740 0.003
-ATOM 23 CB ALA 12 22.200 -22.090 2.433 0.043
-ATOM 24 CA ALA 13 24.518 -22.670 -0.738 0.007
-ATOM 25 CB ALA 13 24.737 -21.910 -0.877 0.138
-ATOM 26 CA CYS 14 26.302 -26.091 -0.877 0.027
-ATOM 27 CB CYS 14 25.992 -27.109 -1.455 0.000
-ATOM 28 CA ALA 15 30.055 -26.697 -0.740 0.023
-ATOM 29 CB ALA 15 30.260 -26.273 -0.158 0.100
-ATOM 30 CA ALA 16 32.611 -29.391 -1.644 0.098
-ATOM 31 CB ALA 16 33.171 -29.088 -1.997 0.062
-ATOM 32 CA ALA 17 34.252 -32.031 0.565 0.007
-ATOM 33 CB ALA 17 33.728 -32.433 0.410 0.053
-ATOM 34 CA GLY 18 37.992 -31.922 1.051 0.000
+ATOM 1 CA GLY 1 10.391 -9.401 -8.101 0.010
+ATOM 2 CA ALA 2 12.700 -9.211 -5.065 0.001
+ATOM 3 CB ALA 2 12.794 -9.697 -4.503 0.055
+ATOM 4 CA ALA 3 16.085 -7.516 -5.040 0.001
+ATOM 5 CB ALA 3 16.386 -6.784 -5.084 0.076
+ATOM 6 CA ALA 4 17.034 -9.298 -1.761 0.024
+ATOM 7 CB ALA 4 16.817 -8.829 -1.208 0.015
+ATOM 8 CA CYS 5 16.440 -12.603 -0.055 0.053
+ATOM 9 CB CYS 5 17.648 -12.865 0.030 0.149
+ATOM 10 CA ALA 6 14.491 -10.841 2.740 0.004
+ATOM 11 CB ALA 6 14.051 -10.313 2.680 0.045
+ATOM 12 CA ALA 7 11.583 -13.356 2.600 0.006
+ATOM 13 CB ALA 7 10.931 -12.960 2.516 0.007
+ATOM 14 CA ALA 8 11.535 -16.893 1.226 0.019
+ATOM 15 CB ALA 8 12.168 -16.877 1.658 0.108
+ATOM 16 CA ALA 9 9.025 -19.607 1.858 0.037
+ATOM 17 CB ALA 9 8.408 -19.273 1.833 0.205
+ATOM 18 CA ALA 10 10.241 -21.746 -1.117 0.027
+ATOM 19 CB ALA 10 10.286 -21.938 -1.899 0.011
+ATOM 20 CA ALA 11 13.781 -22.889 0.007 0.015
+ATOM 21 CB ALA 11 13.670 -23.576 0.137 0.023
+ATOM 22 CA ALA 12 16.764 -21.475 -1.812 0.021
+ATOM 23 CB ALA 12 16.679 -21.146 -2.542 0.103
+ATOM 24 CA ALA 13 19.548 -19.709 -0.032 0.034
+ATOM 25 CB ALA 13 20.132 -20.005 -0.059 0.072
+ATOM 26 CA CYS 14 20.458 -16.206 -1.028 0.047
+ATOM 27 CB CYS 14 20.124 -15.396 -0.168 0.004
+ATOM 28 CA ALA 15 24.075 -15.201 -0.526 0.002
+ATOM 29 CB ALA 15 24.447 -14.501 -0.580 0.072
+ATOM 30 CA ALA 16 25.300 -15.224 2.946 0.035
+ATOM 31 CB ALA 16 25.365 -15.934 2.874 0.096
+ATOM 32 CA ALA 17 27.880 -13.443 5.146 0.047
+ATOM 33 CB ALA 17 27.700 -12.813 5.511 0.011
+ATOM 34 CA GLY 18 29.785 -16.047 7.024 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1357.82 ENERGY 8.63515E+00
+REMARK time 1450.92 ENERGY -2.64170E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.871 1.687 -3.758 0.013
-ATOM 2 CA ALA 2 0.756 2.499 -2.850 0.018
-ATOM 3 CB ALA 2 1.119 2.885 -2.352 0.019
-ATOM 4 CA ALA 3 2.916 -0.573 -2.550 0.018
-ATOM 5 CB ALA 3 3.470 -0.719 -2.961 0.056
-ATOM 6 CA ALA 4 4.390 -2.298 0.594 0.014
-ATOM 7 CB ALA 4 4.061 -2.466 1.234 0.109
-ATOM 8 CA CYS 5 7.815 -3.954 0.590 0.001
-ATOM 9 CB CYS 5 8.483 -4.044 -0.421 0.013
-ATOM 10 CA ALA 6 9.459 -5.850 3.393 0.006
-ATOM 11 CB ALA 6 8.934 -6.289 3.552 0.084
-ATOM 12 CA ALA 7 12.321 -8.278 2.682 0.025
-ATOM 13 CB ALA 7 12.940 -8.269 3.003 0.010
-ATOM 14 CA ALA 8 12.658 -11.720 0.973 0.024
-ATOM 15 CB ALA 8 12.611 -11.634 0.198 0.068
-ATOM 16 CA ALA 9 14.543 -14.977 1.778 0.029
-ATOM 17 CB ALA 9 14.011 -15.413 2.168 0.012
-ATOM 18 CA ALA 10 17.631 -16.328 -0.037 0.030
-ATOM 19 CB ALA 10 18.049 -15.686 0.050 0.006
-ATOM 20 CA ALA 11 18.957 -19.860 -0.093 0.016
-ATOM 21 CB ALA 11 18.637 -20.216 -0.716 0.207
-ATOM 22 CA ALA 12 22.119 -21.790 0.835 0.034
-ATOM 23 CB ALA 12 21.671 -21.864 1.427 0.029
-ATOM 24 CA ALA 13 24.007 -23.430 -1.958 0.035
-ATOM 25 CB ALA 13 24.485 -22.853 -2.001 0.077
-ATOM 26 CA CYS 14 26.387 -26.250 -1.259 0.001
-ATOM 27 CB CYS 14 26.611 -27.022 -0.178 0.045
-ATOM 28 CA ALA 15 30.203 -26.134 -0.820 0.016
-ATOM 29 CB ALA 15 30.748 -26.254 -0.344 0.026
-ATOM 30 CA ALA 16 32.705 -28.956 -1.253 0.029
-ATOM 31 CB ALA 16 32.817 -29.091 -1.908 0.013
-ATOM 32 CA ALA 17 34.169 -31.116 1.462 0.008
-ATOM 33 CB ALA 17 34.064 -31.850 1.871 0.143
-ATOM 34 CA GLY 18 36.397 -33.870 0.263 0.000
+ATOM 1 CA GLY 1 10.409 -6.509 -6.318 0.029
+ATOM 2 CA ALA 2 12.157 -8.916 -3.919 0.025
+ATOM 3 CB ALA 2 11.912 -9.489 -3.510 0.013
+ATOM 4 CA ALA 3 15.566 -10.079 -5.167 0.005
+ATOM 5 CB ALA 3 15.986 -9.532 -5.498 0.019
+ATOM 6 CA ALA 4 16.713 -10.626 -1.482 0.012
+ATOM 7 CB ALA 4 16.410 -9.999 -1.213 0.070
+ATOM 8 CA CYS 5 16.358 -13.920 0.519 0.021
+ATOM 9 CB CYS 5 17.579 -14.372 0.530 0.011
+ATOM 10 CA ALA 6 14.557 -12.276 3.461 0.014
+ATOM 11 CB ALA 6 14.102 -11.973 3.906 0.124
+ATOM 12 CA ALA 7 11.079 -12.792 1.993 0.101
+ATOM 13 CB ALA 7 10.942 -12.713 1.304 0.041
+ATOM 14 CA ALA 8 10.041 -16.485 2.126 0.109
+ATOM 15 CB ALA 8 9.499 -16.424 2.601 0.030
+ATOM 16 CA ALA 9 10.154 -16.391 -1.673 0.018
+ATOM 17 CB ALA 9 9.416 -16.086 -1.686 0.115
+ATOM 18 CA ALA 10 13.072 -18.786 -1.544 0.001
+ATOM 19 CB ALA 10 13.642 -18.401 -1.461 0.149
+ATOM 20 CA ALA 11 13.124 -22.534 -0.748 0.036
+ATOM 21 CB ALA 11 12.424 -22.739 -1.047 0.129
+ATOM 22 CA ALA 12 16.634 -23.097 -1.831 0.009
+ATOM 23 CB ALA 12 17.093 -23.223 -2.431 0.012
+ATOM 24 CA ALA 13 18.676 -20.958 0.516 0.046
+ATOM 25 CB ALA 13 18.943 -21.448 0.927 0.054
+ATOM 26 CA CYS 14 20.742 -17.760 0.153 0.043
+ATOM 27 CB CYS 14 20.295 -16.660 -0.349 0.008
+ATOM 28 CA ALA 15 23.688 -17.309 2.445 0.021
+ATOM 29 CB ALA 15 24.282 -17.693 2.469 0.123
+ATOM 30 CA ALA 16 25.510 -14.042 2.948 0.009
+ATOM 31 CB ALA 16 25.223 -13.545 3.437 0.012
+ATOM 32 CA ALA 17 29.048 -12.615 2.927 0.062
+ATOM 33 CB ALA 17 29.287 -12.370 2.275 0.003
+ATOM 34 CA GLY 18 29.913 -9.472 4.933 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1387.82 ENERGY -6.35755E+00
+REMARK time 1478.40 ENERGY 7.23450E-02
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.079 5.210 -2.415 0.027
-ATOM 2 CA ALA 2 0.699 2.177 -3.792 0.019
-ATOM 3 CB ALA 2 1.259 2.510 -4.178 0.030
-ATOM 4 CA ALA 3 1.866 -0.301 -1.068 0.002
-ATOM 5 CB ALA 3 1.405 -0.904 -1.045 0.042
-ATOM 6 CA ALA 4 5.315 -1.144 0.292 0.005
-ATOM 7 CB ALA 4 5.661 -0.746 0.868 0.029
-ATOM 8 CA CYS 5 6.381 -4.828 0.147 0.005
-ATOM 9 CB CYS 5 6.348 -5.437 -0.981 0.008
-ATOM 10 CA ALA 6 8.532 -6.806 2.591 0.008
-ATOM 11 CB ALA 6 8.021 -7.199 3.070 0.024
-ATOM 12 CA ALA 7 11.567 -9.120 2.230 0.011
-ATOM 13 CB ALA 7 11.984 -8.721 2.696 0.113
-ATOM 14 CA ALA 8 12.621 -12.738 1.821 0.007
-ATOM 15 CB ALA 8 12.608 -13.449 1.496 0.003
-ATOM 16 CA ALA 9 16.158 -14.026 2.359 0.039
-ATOM 17 CB ALA 9 16.330 -14.273 3.005 0.099
-ATOM 18 CA ALA 10 18.248 -15.929 -0.143 0.011
-ATOM 19 CB ALA 10 18.609 -15.542 -0.732 0.051
-ATOM 20 CA ALA 11 19.342 -19.618 0.092 0.010
-ATOM 21 CB ALA 11 18.977 -20.193 -0.364 0.116
-ATOM 22 CA ALA 12 23.164 -19.921 0.209 0.013
-ATOM 23 CB ALA 12 23.677 -19.660 0.683 0.115
-ATOM 24 CA ALA 13 24.486 -22.857 -1.892 0.030
-ATOM 25 CB ALA 13 25.034 -22.653 -2.223 0.142
-ATOM 26 CA CYS 14 26.357 -26.037 -1.423 0.001
-ATOM 27 CB CYS 14 25.631 -27.000 -1.279 0.020
-ATOM 28 CA ALA 15 29.909 -27.054 -0.561 0.024
-ATOM 29 CB ALA 15 30.564 -26.851 -0.340 0.165
-ATOM 30 CA ALA 16 31.844 -30.351 -0.993 0.058
-ATOM 31 CB ALA 16 32.178 -30.304 -1.655 0.149
-ATOM 32 CA ALA 17 34.505 -31.510 1.495 0.011
-ATOM 33 CB ALA 17 34.362 -31.486 2.185 0.147
-ATOM 34 CA GLY 18 37.426 -34.043 1.635 0.000
+ATOM 1 CA GLY 1 11.920 -6.322 -3.810 0.068
+ATOM 2 CA ALA 2 13.723 -9.010 -1.898 0.027
+ATOM 3 CB ALA 2 13.604 -9.588 -1.424 0.042
+ATOM 4 CA ALA 3 16.712 -10.365 -3.859 0.041
+ATOM 5 CB ALA 3 17.206 -10.229 -4.406 0.085
+ATOM 6 CA ALA 4 18.082 -11.946 -0.676 0.011
+ATOM 7 CB ALA 4 18.074 -11.651 0.043 0.030
+ATOM 8 CA CYS 5 16.072 -14.914 0.332 0.024
+ATOM 9 CB CYS 5 16.871 -15.786 0.373 0.002
+ATOM 10 CA ALA 6 14.628 -13.175 3.447 0.035
+ATOM 11 CB ALA 6 14.462 -12.536 3.872 0.111
+ATOM 12 CA ALA 7 11.039 -13.207 2.023 0.018
+ATOM 13 CB ALA 7 10.821 -12.917 1.313 0.036
+ATOM 14 CA ALA 8 8.954 -15.958 0.400 0.013
+ATOM 15 CB ALA 8 8.417 -16.495 0.485 0.196
+ATOM 16 CA ALA 9 8.975 -16.593 -3.365 0.010
+ATOM 17 CB ALA 9 9.102 -16.448 -4.037 0.008
+ATOM 18 CA ALA 10 12.134 -18.642 -3.078 0.016
+ATOM 19 CB ALA 10 12.546 -18.029 -3.235 0.106
+ATOM 20 CA ALA 11 12.593 -21.984 -1.357 0.049
+ATOM 21 CB ALA 11 12.187 -22.568 -1.552 0.014
+ATOM 22 CA ALA 12 16.387 -21.657 -1.166 0.040
+ATOM 23 CB ALA 12 16.618 -21.422 -1.812 0.096
+ATOM 24 CA ALA 13 18.590 -20.919 1.922 0.003
+ATOM 25 CB ALA 13 18.750 -21.508 2.416 0.025
+ATOM 26 CA CYS 14 20.813 -17.866 2.099 0.022
+ATOM 27 CB CYS 14 19.862 -17.112 1.852 0.032
+ATOM 28 CA ALA 15 24.389 -16.605 1.949 0.015
+ATOM 29 CB ALA 15 25.082 -16.673 1.686 0.064
+ATOM 30 CA ALA 16 26.426 -13.576 3.060 0.049
+ATOM 31 CB ALA 16 27.124 -13.289 3.514 0.123
+ATOM 32 CA ALA 17 27.375 -11.214 0.221 0.001
+ATOM 33 CB ALA 17 26.920 -10.861 -0.209 0.048
+ATOM 34 CA GLY 18 29.191 -8.835 2.538 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1416.58 ENERGY -1.59614E+01
+REMARK time 1501.13 ENERGY 3.27918E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 0.140 6.558 -1.911 0.020
-ATOM 2 CA ALA 2 0.990 2.984 -2.750 0.005
-ATOM 3 CB ALA 2 1.064 2.872 -3.484 0.008
-ATOM 4 CA ALA 3 1.966 -0.034 -0.636 0.009
-ATOM 5 CB ALA 3 1.624 -0.610 -0.272 0.022
-ATOM 6 CA ALA 4 5.231 -2.052 -0.430 0.007
-ATOM 7 CB ALA 4 5.774 -1.560 -0.359 0.016
-ATOM 8 CA CYS 5 5.322 -5.517 0.972 0.020
-ATOM 9 CB CYS 5 5.150 -6.104 -0.081 0.046
-ATOM 10 CA ALA 6 8.470 -7.392 2.145 0.046
-ATOM 11 CB ALA 6 8.545 -7.301 2.796 0.001
-ATOM 12 CA ALA 7 10.581 -9.797 0.170 0.019
-ATOM 13 CB ALA 7 11.075 -9.462 -0.328 0.073
-ATOM 14 CA ALA 8 12.527 -13.058 1.034 0.012
-ATOM 15 CB ALA 8 12.329 -13.389 0.340 0.011
-ATOM 16 CA ALA 9 16.013 -13.653 2.309 0.043
-ATOM 17 CB ALA 9 16.132 -13.747 3.009 0.048
-ATOM 18 CA ALA 10 18.578 -15.529 0.235 0.007
-ATOM 19 CB ALA 10 18.897 -14.918 -0.155 0.089
-ATOM 20 CA ALA 11 20.109 -18.984 0.455 0.007
-ATOM 21 CB ALA 11 19.435 -19.197 0.290 0.052
-ATOM 22 CA ALA 12 23.811 -19.723 -0.016 0.008
-ATOM 23 CB ALA 12 23.548 -20.050 0.660 0.062
-ATOM 24 CA ALA 13 25.218 -22.595 -2.104 0.025
-ATOM 25 CB ALA 13 25.586 -22.011 -2.440 0.039
-ATOM 26 CA CYS 14 26.690 -25.875 -0.814 0.021
-ATOM 27 CB CYS 14 26.125 -26.689 -0.116 0.056
-ATOM 28 CA ALA 15 30.312 -26.903 -0.891 0.050
-ATOM 29 CB ALA 15 30.860 -26.432 -0.810 0.316
-ATOM 30 CA ALA 16 31.669 -30.324 -0.207 0.049
-ATOM 31 CB ALA 16 31.491 -30.850 -0.621 0.233
-ATOM 32 CA ALA 17 34.633 -31.880 1.539 0.009
-ATOM 33 CB ALA 17 34.505 -31.950 2.245 0.080
-ATOM 34 CA GLY 18 35.860 -35.157 0.178 0.000
+ATOM 1 CA GLY 1 14.850 -4.879 -6.309 0.009
+ATOM 2 CA ALA 2 14.319 -5.866 -2.638 0.011
+ATOM 3 CB ALA 2 14.023 -6.406 -2.171 0.046
+ATOM 4 CA ALA 3 17.667 -7.686 -2.772 0.035
+ATOM 5 CB ALA 3 18.145 -7.074 -2.825 0.049
+ATOM 6 CA ALA 4 16.896 -9.773 0.455 0.019
+ATOM 7 CB ALA 4 16.771 -9.401 1.140 0.004
+ATOM 8 CA CYS 5 16.239 -13.573 0.483 0.001
+ATOM 9 CB CYS 5 16.973 -14.404 0.785 0.040
+ATOM 10 CA ALA 6 13.699 -13.444 3.299 0.035
+ATOM 11 CB ALA 6 13.807 -12.845 3.749 0.206
+ATOM 12 CA ALA 7 10.622 -14.424 1.279 0.020
+ATOM 13 CB ALA 7 10.754 -13.795 0.878 0.043
+ATOM 14 CA ALA 8 8.758 -17.647 0.409 0.012
+ATOM 15 CB ALA 8 8.075 -17.639 0.421 0.021
+ATOM 16 CA ALA 9 10.326 -17.964 -3.082 0.018
+ATOM 17 CB ALA 9 10.479 -17.403 -3.601 0.140
+ATOM 18 CA ALA 10 13.499 -19.440 -1.553 0.039
+ATOM 19 CB ALA 10 13.561 -18.596 -1.523 0.076
+ATOM 20 CA ALA 11 13.298 -23.020 -0.209 0.052
+ATOM 21 CB ALA 11 13.266 -23.843 -0.333 0.306
+ATOM 22 CA ALA 12 16.865 -23.559 -1.196 0.093
+ATOM 23 CB ALA 12 16.889 -23.194 -1.932 0.085
+ATOM 24 CA ALA 13 19.114 -22.004 1.513 0.022
+ATOM 25 CB ALA 13 19.635 -22.521 1.615 0.150
+ATOM 26 CA CYS 14 19.535 -18.242 1.622 0.005
+ATOM 27 CB CYS 14 18.692 -17.371 1.954 0.018
+ATOM 28 CA ALA 15 23.144 -17.121 1.141 0.057
+ATOM 29 CB ALA 15 23.604 -17.168 0.515 0.062
+ATOM 30 CA ALA 16 25.269 -14.151 2.307 0.055
+ATOM 31 CB ALA 16 25.641 -14.372 2.928 0.024
+ATOM 32 CA ALA 17 26.226 -11.026 0.483 0.014
+ATOM 33 CB ALA 17 26.027 -10.341 0.724 0.027
+ATOM 34 CA GLY 18 29.938 -10.258 0.072 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1443.62 ENERGY 1.04766E+01
+REMARK time 1527.71 ENERGY -1.26383E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 0.283 6.966 -1.370 0.074
-ATOM 2 CA ALA 2 1.121 3.488 -2.670 0.039
-ATOM 3 CB ALA 2 1.293 3.620 -1.946 0.205
-ATOM 4 CA ALA 3 2.020 0.836 -0.212 0.011
-ATOM 5 CB ALA 3 1.553 0.605 0.309 0.020
-ATOM 6 CA ALA 4 4.553 -2.017 -0.207 0.020
-ATOM 7 CB ALA 4 5.187 -1.892 -0.378 0.022
-ATOM 8 CA CYS 5 5.016 -5.562 0.940 0.007
-ATOM 9 CB CYS 5 4.716 -6.315 -0.052 0.027
-ATOM 10 CA ALA 6 8.073 -7.672 1.716 0.035
-ATOM 11 CB ALA 6 8.421 -7.765 2.360 0.011
-ATOM 12 CA ALA 7 9.757 -10.390 -0.360 0.012
-ATOM 13 CB ALA 7 10.088 -10.147 -0.989 0.030
-ATOM 14 CA ALA 8 12.203 -13.266 0.358 0.021
-ATOM 15 CB ALA 8 12.215 -14.079 0.195 0.005
-ATOM 16 CA ALA 9 15.936 -13.703 -0.137 0.001
-ATOM 17 CB ALA 9 16.218 -13.099 0.136 0.081
-ATOM 18 CA ALA 10 18.125 -16.770 -0.274 0.025
-ATOM 19 CB ALA 10 18.418 -16.968 -0.999 0.067
-ATOM 20 CA ALA 11 21.012 -18.017 1.780 0.017
-ATOM 21 CB ALA 11 21.226 -18.661 1.872 0.041
-ATOM 22 CA ALA 12 23.970 -19.168 -0.152 0.023
-ATOM 23 CB ALA 12 24.728 -19.320 0.154 0.069
-ATOM 24 CA ALA 13 25.235 -22.722 -0.788 0.030
-ATOM 25 CB ALA 13 25.317 -22.747 -1.595 0.158
-ATOM 26 CA CYS 14 28.162 -24.662 0.583 0.022
-ATOM 27 CB CYS 14 27.625 -25.051 1.701 0.016
-ATOM 28 CA ALA 15 30.387 -27.266 -1.150 0.015
-ATOM 29 CB ALA 15 31.055 -27.245 -1.558 0.007
-ATOM 30 CA ALA 16 31.202 -30.850 -0.205 0.016
-ATOM 31 CB ALA 16 30.641 -31.472 -0.257 0.025
-ATOM 32 CA ALA 17 34.603 -32.417 0.904 0.041
-ATOM 33 CB ALA 17 34.531 -32.334 1.625 0.026
-ATOM 34 CA GLY 18 34.831 -35.859 -0.828 0.000
+ATOM 1 CA GLY 1 16.128 -5.268 -5.945 0.042
+ATOM 2 CA ALA 2 15.609 -6.828 -2.513 0.007
+ATOM 3 CB ALA 2 15.197 -7.443 -2.587 0.002
+ATOM 4 CA ALA 3 18.448 -8.026 -0.292 0.030
+ATOM 5 CB ALA 3 18.798 -7.879 0.367 0.064
+ATOM 6 CA ALA 4 16.155 -10.532 1.301 0.012
+ATOM 7 CB ALA 4 15.683 -10.024 1.135 0.019
+ATOM 8 CA CYS 5 16.211 -13.886 -0.533 0.028
+ATOM 9 CB CYS 5 17.291 -14.271 0.002 0.054
+ATOM 10 CA ALA 6 14.274 -15.437 2.391 0.020
+ATOM 11 CB ALA 6 14.270 -15.262 3.022 0.065
+ATOM 12 CA ALA 7 10.926 -14.431 0.893 0.011
+ATOM 13 CB ALA 7 11.113 -13.941 0.328 0.031
+ATOM 14 CA ALA 8 8.136 -16.978 0.584 0.078
+ATOM 15 CB ALA 8 7.397 -16.998 0.807 0.015
+ATOM 16 CA ALA 9 9.051 -17.891 -2.953 0.020
+ATOM 17 CB ALA 9 9.342 -17.493 -3.452 0.027
+ATOM 18 CA ALA 10 12.127 -19.953 -1.809 0.029
+ATOM 19 CB ALA 10 12.802 -19.550 -1.923 0.478
+ATOM 20 CA ALA 11 12.679 -23.260 0.019 0.019
+ATOM 21 CB ALA 11 12.148 -23.672 -0.359 0.028
+ATOM 22 CA ALA 12 16.474 -23.385 -0.250 0.016
+ATOM 23 CB ALA 12 16.833 -23.656 -0.884 0.073
+ATOM 24 CA ALA 13 18.837 -21.274 1.852 0.035
+ATOM 25 CB ALA 13 19.416 -21.655 2.202 0.049
+ATOM 26 CA CYS 14 20.372 -17.894 1.037 0.012
+ATOM 27 CB CYS 14 19.378 -17.254 0.867 0.094
+ATOM 28 CA ALA 15 23.831 -16.366 1.765 0.015
+ATOM 29 CB ALA 15 24.542 -16.647 1.742 0.052
+ATOM 30 CA ALA 16 24.289 -12.764 0.923 0.029
+ATOM 31 CB ALA 16 24.040 -12.139 1.305 0.043
+ATOM 32 CA ALA 17 27.319 -10.730 -0.096 0.035
+ATOM 33 CB ALA 17 27.382 -10.650 -0.831 0.028
+ATOM 34 CA GLY 18 29.237 -7.541 0.857 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1465.48 ENERGY -3.61212E+00
+REMARK time 1553.15 ENERGY 2.28312E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.154 6.933 -0.622 0.007
-ATOM 2 CA ALA 2 0.988 3.446 -1.679 0.015
-ATOM 3 CB ALA 2 1.440 3.536 -2.295 0.068
-ATOM 4 CA ALA 3 2.083 0.443 0.462 0.005
-ATOM 5 CB ALA 3 1.341 0.177 0.489 0.032
-ATOM 6 CA ALA 4 4.838 -2.061 -0.630 0.010
-ATOM 7 CB ALA 4 5.435 -1.594 -0.887 0.018
-ATOM 8 CA CYS 5 5.579 -5.511 0.729 0.007
-ATOM 9 CB CYS 5 4.953 -6.110 -0.105 0.021
-ATOM 10 CA ALA 6 8.302 -7.952 1.295 0.026
-ATOM 11 CB ALA 6 8.529 -8.114 1.889 0.029
-ATOM 12 CA ALA 7 9.809 -10.254 -1.228 0.024
-ATOM 13 CB ALA 7 10.111 -9.552 -1.258 0.117
-ATOM 14 CA ALA 8 11.611 -13.509 -0.233 0.060
-ATOM 15 CB ALA 8 11.661 -13.953 -0.875 0.182
-ATOM 16 CA ALA 9 15.305 -13.769 0.349 0.012
-ATOM 17 CB ALA 9 15.654 -13.374 0.829 0.043
-ATOM 18 CA ALA 10 17.688 -16.533 -0.666 0.059
-ATOM 19 CB ALA 10 17.961 -16.886 -1.361 0.116
-ATOM 20 CA ALA 11 20.669 -17.846 1.464 0.016
-ATOM 21 CB ALA 11 20.548 -18.248 2.086 0.000
-ATOM 22 CA ALA 12 23.941 -19.488 0.308 0.028
-ATOM 23 CB ALA 12 24.658 -19.601 0.200 0.034
-ATOM 24 CA ALA 13 25.659 -22.936 -0.051 0.011
-ATOM 25 CB ALA 13 25.252 -23.309 -0.385 0.011
-ATOM 26 CA CYS 14 29.210 -24.283 0.319 0.017
-ATOM 27 CB CYS 14 29.716 -23.958 1.386 0.030
-ATOM 28 CA ALA 15 30.664 -27.411 -1.215 0.008
-ATOM 29 CB ALA 15 31.271 -27.258 -1.716 0.007
-ATOM 30 CA ALA 16 30.922 -30.512 0.961 0.050
-ATOM 31 CB ALA 16 30.367 -30.925 0.920 0.020
-ATOM 32 CA ALA 17 33.717 -33.025 0.481 0.010
-ATOM 33 CB ALA 17 34.347 -32.852 0.812 0.060
-ATOM 34 CA GLY 18 33.692 -36.372 -1.238 0.000
+ATOM 1 CA GLY 1 20.690 -4.743 -5.557 0.011
+ATOM 2 CA ALA 2 17.920 -6.547 -3.764 0.038
+ATOM 3 CB ALA 2 17.585 -7.016 -4.136 0.039
+ATOM 4 CA ALA 3 18.683 -9.230 -1.166 0.075
+ATOM 5 CB ALA 3 18.920 -8.976 -0.472 0.060
+ATOM 6 CA ALA 4 16.118 -10.947 0.964 0.051
+ATOM 7 CB ALA 4 15.495 -10.391 0.820 0.053
+ATOM 8 CA CYS 5 15.400 -14.562 1.571 0.033
+ATOM 9 CB CYS 5 16.515 -15.106 1.690 0.058
+ATOM 10 CA ALA 6 12.467 -15.011 3.961 0.029
+ATOM 11 CB ALA 6 12.518 -14.390 4.336 0.181
+ATOM 12 CA ALA 7 9.463 -15.046 1.700 0.047
+ATOM 13 CB ALA 7 9.243 -14.612 1.159 0.071
+ATOM 14 CA ALA 8 7.431 -18.276 1.412 0.000
+ATOM 15 CB ALA 8 6.746 -18.067 1.515 0.087
+ATOM 16 CA ALA 9 7.854 -19.327 -2.244 0.004
+ATOM 17 CB ALA 9 8.188 -19.214 -2.931 0.044
+ATOM 18 CA ALA 10 11.545 -20.148 -1.802 0.032
+ATOM 19 CB ALA 10 12.097 -19.682 -1.616 0.044
+ATOM 20 CA ALA 11 13.038 -23.543 -1.002 0.004
+ATOM 21 CB ALA 11 12.941 -24.142 -1.537 0.066
+ATOM 22 CA ALA 12 16.681 -22.643 -1.547 0.020
+ATOM 23 CB ALA 12 16.995 -22.486 -2.244 0.056
+ATOM 24 CA ALA 13 19.039 -20.552 0.537 0.037
+ATOM 25 CB ALA 13 19.539 -20.660 1.019 0.108
+ATOM 26 CA CYS 14 20.437 -17.026 0.013 0.029
+ATOM 27 CB CYS 14 19.596 -16.616 0.769 0.003
+ATOM 28 CA ALA 15 23.274 -15.050 1.626 0.074
+ATOM 29 CB ALA 15 24.009 -15.285 1.653 0.047
+ATOM 30 CA ALA 16 25.047 -11.995 0.172 0.010
+ATOM 31 CB ALA 16 25.178 -11.305 -0.001 0.084
+ATOM 32 CA ALA 17 28.443 -10.534 1.088 0.060
+ATOM 33 CB ALA 17 29.116 -10.863 1.209 0.008
+ATOM 34 CA GLY 18 28.208 -6.704 0.450 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1488.30 ENERGY -9.13599E+00
+REMARK time 1578.51 ENERGY 2.65982E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.033 6.492 -0.938 0.050
-ATOM 2 CA ALA 2 0.949 2.925 -1.397 0.010
-ATOM 3 CB ALA 2 1.140 2.661 -1.959 0.078
-ATOM 4 CA ALA 3 1.992 0.243 1.046 0.010
-ATOM 5 CB ALA 3 1.404 -0.023 1.145 0.063
-ATOM 6 CA ALA 4 5.091 -1.928 1.225 0.021
-ATOM 7 CB ALA 4 5.476 -1.788 1.863 0.051
-ATOM 8 CA CYS 5 5.404 -5.154 -0.736 0.014
-ATOM 9 CB CYS 5 5.101 -5.126 -1.958 0.028
-ATOM 10 CA ALA 6 8.366 -7.467 -0.023 0.056
-ATOM 11 CB ALA 6 8.467 -7.757 0.607 0.093
-ATOM 12 CA ALA 7 9.638 -10.793 -1.369 0.046
-ATOM 13 CB ALA 7 9.914 -10.652 -2.025 0.141
-ATOM 14 CA ALA 8 12.053 -13.211 0.228 0.051
-ATOM 15 CB ALA 8 11.546 -13.544 0.610 0.018
-ATOM 16 CA ALA 9 15.752 -14.025 -0.198 0.013
-ATOM 17 CB ALA 9 16.173 -13.513 -0.022 0.051
-ATOM 18 CA ALA 10 17.866 -17.100 -0.032 0.037
-ATOM 19 CB ALA 10 17.900 -17.486 -0.591 0.020
-ATOM 20 CA ALA 11 21.030 -18.099 1.704 0.009
-ATOM 21 CB ALA 11 20.730 -18.286 2.323 0.010
-ATOM 22 CA ALA 12 24.408 -19.145 0.222 0.012
-ATOM 23 CB ALA 12 24.487 -18.480 0.751 0.179
-ATOM 24 CA ALA 13 25.056 -22.907 -0.174 0.033
-ATOM 25 CB ALA 13 24.968 -23.099 -0.911 0.057
-ATOM 26 CA CYS 14 28.703 -23.814 0.232 0.027
-ATOM 27 CB CYS 14 28.996 -24.041 1.380 0.016
-ATOM 28 CA ALA 15 30.608 -26.935 -0.933 0.008
-ATOM 29 CB ALA 15 30.842 -26.838 -1.577 0.035
-ATOM 30 CA ALA 16 31.664 -30.208 0.572 0.011
-ATOM 31 CB ALA 16 31.369 -30.415 1.202 0.064
-ATOM 32 CA ALA 17 33.680 -33.368 0.027 0.020
-ATOM 33 CB ALA 17 34.378 -33.455 0.289 0.043
-ATOM 34 CA GLY 18 32.807 -37.115 -0.072 0.000
+ATOM 1 CA GLY 1 21.886 -5.046 -3.350 0.037
+ATOM 2 CA ALA 2 20.623 -8.619 -3.874 0.017
+ATOM 3 CB ALA 2 21.103 -9.148 -3.723 0.096
+ATOM 4 CA ALA 3 16.950 -9.327 -4.010 0.007
+ATOM 5 CB ALA 3 16.692 -9.555 -4.645 0.137
+ATOM 6 CA ALA 4 15.258 -10.190 -0.689 0.028
+ATOM 7 CB ALA 4 14.756 -9.699 -0.344 0.091
+ATOM 8 CA CYS 5 14.145 -13.715 0.273 0.019
+ATOM 9 CB CYS 5 15.112 -14.554 0.116 0.023
+ATOM 10 CA ALA 6 13.382 -13.674 3.923 0.021
+ATOM 11 CB ALA 6 13.613 -13.002 4.166 0.061
+ATOM 12 CA ALA 7 10.010 -15.346 3.401 0.050
+ATOM 13 CB ALA 7 9.485 -15.153 3.076 0.052
+ATOM 14 CA ALA 8 9.786 -19.163 2.874 0.019
+ATOM 15 CB ALA 8 9.586 -19.753 3.187 0.025
+ATOM 16 CA ALA 9 8.000 -19.342 -0.354 0.047
+ATOM 17 CB ALA 9 7.372 -18.971 -0.452 0.125
+ATOM 18 CA ALA 10 10.930 -20.976 -2.133 0.008
+ATOM 19 CB ALA 10 11.312 -20.376 -2.330 0.042
+ATOM 20 CA ALA 11 13.828 -23.398 -1.487 0.054
+ATOM 21 CB ALA 11 14.088 -24.064 -1.546 0.015
+ATOM 22 CA ALA 12 17.320 -22.160 -2.573 0.004
+ATOM 23 CB ALA 12 17.030 -22.839 -2.975 0.080
+ATOM 24 CA ALA 13 19.006 -19.804 -0.116 0.056
+ATOM 25 CB ALA 13 19.541 -20.221 0.140 0.065
+ATOM 26 CA CYS 14 19.693 -16.083 -0.505 0.060
+ATOM 27 CB CYS 14 18.640 -15.437 -0.320 0.040
+ATOM 28 CA ALA 15 22.795 -15.637 1.707 0.034
+ATOM 29 CB ALA 15 23.506 -15.791 1.544 0.026
+ATOM 30 CA ALA 16 24.544 -12.331 2.508 0.062
+ATOM 31 CB ALA 16 24.526 -11.960 3.131 0.035
+ATOM 32 CA ALA 17 27.159 -9.931 1.254 0.032
+ATOM 33 CB ALA 17 27.067 -9.611 0.503 0.014
+ATOM 34 CA GLY 18 29.349 -7.764 3.510 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1506.88 ENERGY -7.21417E+00
+REMARK time 1602.59 ENERGY 7.99713E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.285 5.715 0.811 0.005
-ATOM 2 CA ALA 2 0.414 3.127 -1.287 0.004
-ATOM 3 CB ALA 2 1.074 2.890 -1.635 0.239
-ATOM 4 CA ALA 3 1.777 0.044 0.586 0.008
-ATOM 5 CB ALA 3 1.209 -0.472 0.418 0.078
-ATOM 6 CA ALA 4 5.311 -1.334 -0.025 0.005
-ATOM 7 CB ALA 4 5.556 -1.287 0.597 0.185
-ATOM 8 CA CYS 5 5.978 -5.022 -0.474 0.024
-ATOM 9 CB CYS 5 5.508 -5.406 -1.599 0.018
-ATOM 10 CA ALA 6 8.810 -7.283 0.469 0.018
-ATOM 11 CB ALA 6 8.899 -7.288 1.253 0.032
-ATOM 12 CA ALA 7 10.082 -10.290 -1.474 0.022
-ATOM 13 CB ALA 7 10.446 -10.242 -2.097 0.041
-ATOM 14 CA ALA 8 12.110 -13.274 -0.325 0.034
-ATOM 15 CB ALA 8 11.440 -13.577 -0.436 0.037
-ATOM 16 CA ALA 9 15.855 -14.183 0.085 0.041
-ATOM 17 CB ALA 9 16.312 -13.905 0.602 0.014
-ATOM 18 CA ALA 10 17.935 -17.387 -0.341 0.056
-ATOM 19 CB ALA 10 17.882 -17.754 -0.973 0.022
-ATOM 20 CA ALA 11 20.836 -17.723 2.023 0.008
-ATOM 21 CB ALA 11 21.214 -18.049 2.507 0.061
-ATOM 22 CA ALA 12 24.061 -19.034 0.414 0.081
-ATOM 23 CB ALA 12 24.781 -19.052 0.340 0.031
-ATOM 24 CA ALA 13 25.423 -22.575 0.659 0.007
-ATOM 25 CB ALA 13 24.841 -22.776 0.291 0.026
-ATOM 26 CA CYS 14 28.582 -24.535 0.304 0.033
-ATOM 27 CB CYS 14 29.290 -24.145 1.274 0.019
-ATOM 28 CA ALA 15 29.834 -27.658 -1.451 0.002
-ATOM 29 CB ALA 15 30.255 -27.780 -2.039 0.141
-ATOM 30 CA ALA 16 30.331 -31.189 -0.105 0.019
-ATOM 31 CB ALA 16 29.779 -31.571 -0.472 0.058
-ATOM 32 CA ALA 17 33.943 -32.271 0.390 0.007
-ATOM 33 CB ALA 17 34.362 -31.945 0.798 0.059
-ATOM 34 CA GLY 18 34.664 -36.075 0.918 0.000
+ATOM 1 CA GLY 1 20.486 -7.434 -9.390 0.055
+ATOM 2 CA ALA 2 20.919 -8.954 -5.928 0.018
+ATOM 3 CB ALA 2 21.558 -9.022 -5.485 0.061
+ATOM 4 CA ALA 3 17.904 -8.793 -3.591 0.003
+ATOM 5 CB ALA 3 17.290 -9.060 -3.284 0.015
+ATOM 6 CA ALA 4 17.647 -11.031 -0.462 0.025
+ATOM 7 CB ALA 4 17.774 -10.802 0.227 0.045
+ATOM 8 CA CYS 5 15.110 -13.697 0.389 0.072
+ATOM 9 CB CYS 5 15.883 -14.647 0.030 0.010
+ATOM 10 CA ALA 6 14.164 -14.077 4.073 0.017
+ATOM 11 CB ALA 6 13.873 -13.411 4.319 0.021
+ATOM 12 CA ALA 7 10.799 -15.552 3.175 0.016
+ATOM 13 CB ALA 7 10.683 -15.035 2.731 0.004
+ATOM 14 CA ALA 8 10.003 -19.376 3.360 0.017
+ATOM 15 CB ALA 8 9.621 -19.983 3.753 0.028
+ATOM 16 CA ALA 9 7.676 -21.186 0.889 0.007
+ATOM 17 CB ALA 9 7.035 -20.817 0.821 0.123
+ATOM 18 CA ALA 10 9.911 -20.388 -2.035 0.010
+ATOM 19 CB ALA 10 10.505 -19.901 -2.223 0.023
+ATOM 20 CA ALA 11 12.859 -22.478 -3.077 0.011
+ATOM 21 CB ALA 11 12.287 -22.968 -3.063 0.044
+ATOM 22 CA ALA 12 16.228 -20.620 -3.111 0.019
+ATOM 23 CB ALA 12 16.208 -19.852 -3.329 0.048
+ATOM 24 CA ALA 13 18.745 -20.258 -0.332 0.027
+ATOM 25 CB ALA 13 19.047 -20.380 -1.039 0.042
+ATOM 26 CA CYS 14 20.080 -16.665 0.244 0.004
+ATOM 27 CB CYS 14 19.313 -15.817 0.763 0.081
+ATOM 28 CA ALA 15 23.467 -15.128 0.893 0.025
+ATOM 29 CB ALA 15 24.131 -15.204 0.771 0.120
+ATOM 30 CA ALA 16 23.561 -12.134 3.212 0.072
+ATOM 31 CB ALA 16 23.463 -12.513 3.830 0.018
+ATOM 32 CA ALA 17 25.804 -9.063 3.139 0.027
+ATOM 33 CB ALA 17 25.465 -8.428 2.939 0.024
+ATOM 34 CA GLY 18 27.174 -7.134 6.144 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1527.35 ENERGY -6.14726E+00
+REMARK time 1631.32 ENERGY 4.76856E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.886 5.623 1.267 0.014
-ATOM 2 CA ALA 2 0.265 2.993 -0.271 0.008
-ATOM 3 CB ALA 2 0.769 3.071 -0.803 0.030
-ATOM 4 CA ALA 3 1.640 -0.477 0.267 0.018
-ATOM 5 CB ALA 3 1.151 -1.001 0.324 0.076
-ATOM 6 CA ALA 4 4.985 -1.634 -1.167 0.029
-ATOM 7 CB ALA 4 5.576 -1.299 -0.854 0.124
-ATOM 8 CA CYS 5 5.487 -5.369 -0.649 0.016
-ATOM 9 CB CYS 5 5.113 -5.940 -1.728 0.063
-ATOM 10 CA ALA 6 9.024 -6.591 0.108 0.011
-ATOM 11 CB ALA 6 8.973 -6.278 0.789 0.040
-ATOM 12 CA ALA 7 11.139 -9.222 -1.603 0.044
-ATOM 13 CB ALA 7 11.711 -9.483 -1.988 0.042
-ATOM 14 CA ALA 8 12.204 -12.364 0.172 0.051
-ATOM 15 CB ALA 8 12.136 -13.073 0.257 0.001
-ATOM 16 CA ALA 9 15.903 -12.887 0.866 0.002
-ATOM 17 CB ALA 9 16.600 -12.969 1.090 0.165
-ATOM 18 CA ALA 10 17.822 -16.187 0.339 0.006
-ATOM 19 CB ALA 10 17.820 -16.250 -0.366 0.023
-ATOM 20 CA ALA 11 20.775 -18.091 1.849 0.051
-ATOM 21 CB ALA 11 20.122 -18.034 2.175 0.070
-ATOM 22 CA ALA 12 23.962 -19.813 0.464 0.036
-ATOM 23 CB ALA 12 24.768 -19.675 0.337 0.066
-ATOM 24 CA ALA 13 24.611 -23.442 -0.777 0.005
-ATOM 25 CB ALA 13 24.364 -23.633 -1.451 0.092
-ATOM 26 CA CYS 14 27.711 -25.399 0.563 0.030
-ATOM 27 CB CYS 14 28.351 -25.185 1.510 0.036
-ATOM 28 CA ALA 15 29.566 -28.097 -1.433 0.019
-ATOM 29 CB ALA 15 30.159 -28.180 -1.896 0.069
-ATOM 30 CA ALA 16 31.306 -31.188 -0.135 0.039
-ATOM 31 CB ALA 16 30.798 -31.756 -0.029 0.026
-ATOM 32 CA ALA 17 34.892 -32.262 0.626 0.038
-ATOM 33 CB ALA 17 35.278 -31.841 1.079 0.117
-ATOM 34 CA GLY 18 35.756 -35.942 0.949 0.000
+ATOM 1 CA GLY 1 17.728 -13.637 -8.189 0.004
+ATOM 2 CA ALA 2 19.566 -10.691 -6.672 0.034
+ATOM 3 CB ALA 2 19.647 -10.042 -7.079 0.015
+ATOM 4 CA ALA 3 16.972 -8.961 -4.552 0.004
+ATOM 5 CB ALA 3 16.258 -9.125 -4.727 0.105
+ATOM 6 CA ALA 4 17.416 -8.997 -0.692 0.009
+ATOM 7 CB ALA 4 16.881 -8.682 -0.223 0.020
+ATOM 8 CA CYS 5 15.524 -11.903 0.931 0.053
+ATOM 9 CB CYS 5 16.295 -12.791 0.475 0.009
+ATOM 10 CA ALA 6 14.705 -12.328 4.636 0.042
+ATOM 11 CB ALA 6 14.279 -11.834 5.083 0.013
+ATOM 12 CA ALA 7 12.179 -15.155 3.902 0.034
+ATOM 13 CB ALA 7 11.505 -15.567 3.780 0.007
+ATOM 14 CA ALA 8 13.069 -18.694 2.732 0.006
+ATOM 15 CB ALA 8 13.314 -18.792 3.427 0.262
+ATOM 16 CA ALA 9 10.271 -20.739 1.099 0.033
+ATOM 17 CB ALA 9 9.693 -20.613 1.405 0.003
+ATOM 18 CA ALA 10 11.210 -19.691 -2.476 0.027
+ATOM 19 CB ALA 10 11.783 -19.175 -2.369 0.026
+ATOM 20 CA ALA 11 12.653 -21.649 -5.346 0.071
+ATOM 21 CB ALA 11 12.362 -21.300 -5.971 0.091
+ATOM 22 CA ALA 12 16.190 -20.889 -4.353 0.015
+ATOM 23 CB ALA 12 16.330 -20.220 -4.716 0.057
+ATOM 24 CA ALA 13 18.601 -20.227 -1.356 0.046
+ATOM 25 CB ALA 13 19.026 -20.773 -1.490 0.027
+ATOM 26 CA CYS 14 18.851 -16.760 0.243 0.039
+ATOM 27 CB CYS 14 17.880 -16.236 0.763 0.053
+ATOM 28 CA ALA 15 21.972 -16.246 2.357 0.066
+ATOM 29 CB ALA 15 22.621 -16.347 2.015 0.144
+ATOM 30 CA ALA 16 23.118 -13.554 4.804 0.003
+ATOM 31 CB ALA 16 23.131 -13.673 5.589 0.042
+ATOM 32 CA ALA 17 24.813 -10.132 4.536 0.005
+ATOM 33 CB ALA 17 24.601 -9.367 4.351 0.085
+ATOM 34 CA GLY 18 26.962 -8.165 6.964 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1555.73 ENERGY -1.77686E+01
+REMARK time 1656.39 ENERGY -5.57386E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.420 5.286 0.818 0.012
-ATOM 2 CA ALA 2 -1.051 1.557 0.046 0.064
-ATOM 3 CB ALA 2 -1.633 1.506 -0.446 0.010
-ATOM 4 CA ALA 3 1.912 -0.788 0.719 0.011
-ATOM 5 CB ALA 3 1.920 -1.157 1.323 0.052
-ATOM 6 CA ALA 4 4.631 -1.664 -1.794 0.035
-ATOM 7 CB ALA 4 4.781 -0.986 -2.028 0.083
-ATOM 8 CA CYS 5 6.698 -4.858 -1.617 0.007
-ATOM 9 CB CYS 5 5.959 -5.786 -1.900 0.028
-ATOM 10 CA ALA 6 10.034 -5.809 -0.104 0.006
-ATOM 11 CB ALA 6 10.192 -5.518 0.560 0.088
-ATOM 12 CA ALA 7 11.365 -9.399 -0.137 0.032
-ATOM 13 CB ALA 7 11.323 -9.318 -0.842 0.010
-ATOM 14 CA ALA 8 13.810 -11.231 2.087 0.025
-ATOM 15 CB ALA 8 13.461 -11.612 2.654 0.059
-ATOM 16 CA ALA 9 16.841 -12.496 0.235 0.019
-ATOM 17 CB ALA 9 17.478 -12.298 0.549 0.135
-ATOM 18 CA ALA 10 17.899 -16.084 -0.743 0.013
-ATOM 19 CB ALA 10 17.790 -15.940 -1.472 0.067
-ATOM 20 CA ALA 11 20.099 -18.763 0.776 0.023
-ATOM 21 CB ALA 11 19.716 -19.057 1.312 0.010
-ATOM 22 CA ALA 12 23.293 -20.420 -0.493 0.005
-ATOM 23 CB ALA 12 23.897 -20.168 -0.392 0.020
-ATOM 24 CA ALA 13 23.930 -24.148 -1.173 0.016
-ATOM 25 CB ALA 13 24.031 -24.058 -1.923 0.061
-ATOM 26 CA CYS 14 26.458 -26.465 0.554 0.031
-ATOM 27 CB CYS 14 26.323 -26.677 1.746 0.066
-ATOM 28 CA ALA 15 29.847 -27.477 -0.681 0.070
-ATOM 29 CB ALA 15 30.291 -26.832 -0.906 0.132
-ATOM 30 CA ALA 16 31.750 -30.379 1.030 0.022
-ATOM 31 CB ALA 16 31.430 -30.811 1.615 0.285
-ATOM 32 CA ALA 17 34.997 -31.942 -0.266 0.066
-ATOM 33 CB ALA 17 34.975 -31.239 -0.005 0.046
-ATOM 34 CA GLY 18 36.226 -35.275 1.179 0.000
+ATOM 1 CA GLY 1 18.645 -12.043 -11.814 0.024
+ATOM 2 CA ALA 2 19.571 -11.089 -8.299 0.027
+ATOM 3 CB ALA 2 20.019 -10.644 -7.866 0.064
+ATOM 4 CA ALA 3 16.791 -10.061 -5.848 0.054
+ATOM 5 CB ALA 3 16.028 -10.099 -6.097 0.009
+ATOM 6 CA ALA 4 16.741 -10.079 -2.045 0.014
+ATOM 7 CB ALA 4 17.075 -9.504 -2.128 0.119
+ATOM 8 CA CYS 5 15.142 -12.726 0.191 0.008
+ATOM 9 CB CYS 5 15.930 -13.616 0.441 0.066
+ATOM 10 CA ALA 6 14.405 -13.044 3.867 0.014
+ATOM 11 CB ALA 6 13.963 -12.438 3.873 0.045
+ATOM 12 CA ALA 7 12.023 -16.010 4.105 0.009
+ATOM 13 CB ALA 7 11.277 -15.891 3.867 0.087
+ATOM 14 CA ALA 8 13.538 -19.532 3.508 0.004
+ATOM 15 CB ALA 8 13.896 -19.767 4.132 0.088
+ATOM 16 CA ALA 9 10.199 -20.773 2.313 0.021
+ATOM 17 CB ALA 9 9.497 -20.504 2.146 0.089
+ATOM 18 CA ALA 10 10.802 -19.183 -1.153 0.005
+ATOM 19 CB ALA 10 11.030 -18.663 -1.559 0.059
+ATOM 20 CA ALA 11 12.485 -20.834 -4.101 0.010
+ATOM 21 CB ALA 11 11.940 -20.937 -4.587 0.192
+ATOM 22 CA ALA 12 15.255 -18.305 -4.098 0.034
+ATOM 23 CB ALA 12 14.683 -17.707 -4.224 0.065
+ATOM 24 CA ALA 13 18.561 -18.626 -2.312 0.028
+ATOM 25 CB ALA 13 18.951 -19.067 -2.825 0.061
+ATOM 26 CA CYS 14 19.834 -16.558 0.595 0.071
+ATOM 27 CB CYS 14 18.694 -16.265 0.939 0.062
+ATOM 28 CA ALA 15 23.255 -15.451 2.015 0.011
+ATOM 29 CB ALA 15 23.795 -15.114 1.647 0.088
+ATOM 30 CA ALA 16 23.548 -13.976 5.502 0.051
+ATOM 31 CB ALA 16 23.745 -14.513 5.942 0.074
+ATOM 32 CA ALA 17 24.726 -10.517 6.617 0.038
+ATOM 33 CB ALA 17 24.233 -9.987 6.437 0.073
+ATOM 34 CA GLY 18 26.605 -8.696 9.313 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1581.69 ENERGY -1.37320E+01
+REMARK time 1681.51 ENERGY 2.61575E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.613 3.159 -0.474 0.025
-ATOM 2 CA ALA 2 -0.887 0.594 -1.122 0.020
-ATOM 3 CB ALA 2 -0.344 0.198 -1.495 0.050
-ATOM 4 CA ALA 3 2.385 0.636 0.782 0.006
-ATOM 5 CB ALA 3 2.510 0.285 1.390 0.014
-ATOM 6 CA ALA 4 5.503 -1.193 -0.343 0.006
-ATOM 7 CB ALA 4 6.014 -0.695 -0.371 0.049
-ATOM 8 CA CYS 5 6.314 -4.945 0.081 0.016
-ATOM 9 CB CYS 5 5.851 -5.497 -0.987 0.066
-ATOM 10 CA ALA 6 9.457 -6.609 1.392 0.024
-ATOM 11 CB ALA 6 9.520 -6.821 2.117 0.099
-ATOM 12 CA ALA 7 12.366 -8.227 -0.507 0.002
-ATOM 13 CB ALA 7 12.938 -8.376 -0.866 0.201
-ATOM 14 CA ALA 8 13.836 -11.676 0.175 0.028
-ATOM 15 CB ALA 8 13.308 -12.106 -0.094 0.027
-ATOM 16 CA ALA 9 17.535 -12.484 0.306 0.040
-ATOM 17 CB ALA 9 17.372 -12.113 0.880 0.187
-ATOM 18 CA ALA 10 18.923 -15.517 -1.567 0.036
-ATOM 19 CB ALA 10 19.233 -15.354 -2.172 0.047
-ATOM 20 CA ALA 11 20.231 -18.719 -0.019 0.013
-ATOM 21 CB ALA 11 19.791 -19.296 0.292 0.028
-ATOM 22 CA ALA 12 22.224 -21.216 -1.972 0.041
-ATOM 23 CB ALA 12 22.876 -20.921 -2.211 0.056
-ATOM 24 CA ALA 13 23.146 -24.726 -0.792 0.025
-ATOM 25 CB ALA 13 22.874 -25.160 -1.231 0.151
-ATOM 26 CA CYS 14 26.048 -25.860 1.297 0.089
-ATOM 27 CB CYS 14 26.055 -25.446 2.417 0.021
-ATOM 28 CA ALA 15 28.632 -28.566 0.581 0.008
-ATOM 29 CB ALA 15 28.639 -28.807 -0.077 0.147
-ATOM 30 CA ALA 16 31.801 -30.401 1.520 0.043
-ATOM 31 CB ALA 16 31.400 -30.381 2.142 0.066
-ATOM 32 CA ALA 17 34.909 -31.313 -0.474 0.002
-ATOM 33 CB ALA 17 35.234 -30.734 -0.440 0.059
-ATOM 34 CA GLY 18 37.801 -33.640 0.435 0.000
+ATOM 1 CA GLY 1 21.158 -7.918 -10.469 0.007
+ATOM 2 CA ALA 2 18.968 -10.697 -8.985 0.010
+ATOM 3 CB ALA 2 19.647 -11.177 -9.020 0.052
+ATOM 4 CA ALA 3 16.216 -10.092 -6.451 0.012
+ATOM 5 CB ALA 3 15.750 -10.217 -6.945 0.002
+ATOM 6 CA ALA 4 16.090 -10.663 -2.726 0.033
+ATOM 7 CB ALA 4 15.929 -10.088 -2.211 0.014
+ATOM 8 CA CYS 5 14.638 -13.661 -0.832 0.001
+ATOM 9 CB CYS 5 15.363 -14.652 -0.873 0.012
+ATOM 10 CA ALA 6 13.354 -12.610 2.628 0.017
+ATOM 11 CB ALA 6 12.986 -11.977 2.565 0.035
+ATOM 12 CA ALA 7 12.188 -15.389 4.888 0.055
+ATOM 13 CB ALA 7 11.364 -15.516 4.719 0.044
+ATOM 14 CA ALA 8 13.705 -18.748 4.798 0.022
+ATOM 15 CB ALA 8 12.912 -18.564 5.041 0.051
+ATOM 16 CA ALA 9 10.601 -20.330 3.422 0.010
+ATOM 17 CB ALA 9 9.987 -19.883 3.782 0.033
+ATOM 18 CA ALA 10 11.366 -19.186 -0.129 0.005
+ATOM 19 CB ALA 10 11.738 -18.507 -0.256 0.063
+ATOM 20 CA ALA 11 12.697 -21.109 -3.061 0.036
+ATOM 21 CB ALA 11 12.536 -21.534 -3.649 0.017
+ATOM 22 CA ALA 12 15.978 -19.408 -4.273 0.013
+ATOM 23 CB ALA 12 15.714 -18.761 -4.464 0.047
+ATOM 24 CA ALA 13 19.280 -19.037 -2.454 0.025
+ATOM 25 CB ALA 13 19.832 -18.903 -2.966 0.017
+ATOM 26 CA CYS 14 20.008 -15.865 -0.562 0.009
+ATOM 27 CB CYS 14 18.862 -15.595 -0.051 0.044
+ATOM 28 CA ALA 15 22.981 -14.573 1.470 0.010
+ATOM 29 CB ALA 15 23.659 -14.256 1.156 0.114
+ATOM 30 CA ALA 16 23.070 -14.294 5.230 0.056
+ATOM 31 CB ALA 16 23.611 -14.761 5.076 0.027
+ATOM 32 CA ALA 17 24.887 -11.844 7.477 0.022
+ATOM 33 CB ALA 17 24.948 -11.010 7.422 0.128
+ATOM 34 CA GLY 18 25.406 -11.056 11.125 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1602.19 ENERGY -1.34034E+00
+REMARK time 1707.35 ENERGY -6.90237E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.498 3.867 -2.192 0.006
-ATOM 2 CA ALA 2 -1.283 0.867 -1.713 0.004
-ATOM 3 CB ALA 2 -1.030 0.434 -2.186 0.007
-ATOM 4 CA ALA 3 1.350 0.110 0.878 0.011
-ATOM 5 CB ALA 3 1.083 -0.324 1.442 0.012
-ATOM 6 CA ALA 4 4.890 -1.068 0.560 0.002
-ATOM 7 CB ALA 4 5.419 -0.504 0.637 0.040
-ATOM 8 CA CYS 5 6.492 -4.434 1.293 0.003
-ATOM 9 CB CYS 5 6.077 -5.306 0.597 0.006
-ATOM 10 CA ALA 6 10.058 -5.569 1.784 0.014
-ATOM 11 CB ALA 6 10.060 -5.554 2.501 0.009
-ATOM 12 CA ALA 7 12.177 -7.629 -0.612 0.039
-ATOM 13 CB ALA 7 12.883 -7.477 -0.751 0.004
-ATOM 14 CA ALA 8 13.955 -10.973 -0.378 0.028
-ATOM 15 CB ALA 8 13.526 -11.609 -0.440 0.004
-ATOM 16 CA ALA 9 17.416 -12.518 -0.735 0.012
-ATOM 17 CB ALA 9 17.850 -12.773 -0.129 0.030
-ATOM 18 CA ALA 10 18.344 -15.806 -2.447 0.039
-ATOM 19 CB ALA 10 19.030 -16.114 -2.816 0.065
-ATOM 20 CA ALA 11 19.351 -19.121 -0.775 0.018
-ATOM 21 CB ALA 11 18.661 -19.460 -0.737 0.021
-ATOM 22 CA ALA 12 22.544 -21.200 -1.060 0.036
-ATOM 23 CB ALA 12 23.107 -21.162 -0.703 0.122
-ATOM 24 CA ALA 13 23.886 -24.597 -0.060 0.041
-ATOM 25 CB ALA 13 23.149 -24.724 -0.191 0.004
-ATOM 26 CA CYS 14 27.080 -26.588 0.366 0.020
-ATOM 27 CB CYS 14 27.938 -25.732 0.495 0.030
-ATOM 28 CA ALA 15 28.220 -30.079 0.736 0.006
-ATOM 29 CB ALA 15 28.039 -30.734 0.371 0.116
-ATOM 30 CA ALA 16 31.874 -30.232 1.687 0.006
-ATOM 31 CB ALA 16 31.727 -31.030 2.037 0.116
-ATOM 32 CA ALA 17 35.033 -31.394 -0.052 0.027
-ATOM 33 CB ALA 17 34.781 -30.733 -0.405 0.301
-ATOM 34 CA GLY 18 37.866 -33.013 1.948 0.000
+ATOM 1 CA GLY 1 19.431 -8.897 -12.642 0.021
+ATOM 2 CA ALA 2 19.408 -8.971 -8.856 0.003
+ATOM 3 CB ALA 2 19.739 -8.453 -8.353 0.133
+ATOM 4 CA ALA 3 16.894 -10.147 -6.274 0.006
+ATOM 5 CB ALA 3 16.616 -10.872 -6.384 0.067
+ATOM 6 CA ALA 4 16.337 -9.180 -2.662 0.043
+ATOM 7 CB ALA 4 16.202 -8.440 -2.646 0.054
+ATOM 8 CA CYS 5 15.004 -11.657 -0.146 0.007
+ATOM 9 CB CYS 5 15.654 -12.737 -0.380 0.028
+ATOM 10 CA ALA 6 13.809 -11.846 3.438 0.057
+ATOM 11 CB ALA 6 13.306 -11.330 3.478 0.065
+ATOM 12 CA ALA 7 11.789 -15.002 2.954 0.006
+ATOM 13 CB ALA 7 11.785 -15.150 2.191 0.022
+ATOM 14 CA ALA 8 13.743 -18.209 3.292 0.006
+ATOM 15 CB ALA 8 14.422 -18.184 3.484 0.202
+ATOM 16 CA ALA 9 11.072 -20.916 2.985 0.040
+ATOM 17 CB ALA 9 10.730 -21.207 3.613 0.091
+ATOM 18 CA ALA 10 10.724 -20.920 -0.859 0.013
+ATOM 19 CB ALA 10 10.814 -20.866 -1.641 0.038
+ATOM 20 CA ALA 11 13.383 -23.345 -2.143 0.073
+ATOM 21 CB ALA 11 12.885 -23.825 -2.483 0.007
+ATOM 22 CA ALA 12 15.877 -20.610 -3.331 0.060
+ATOM 23 CB ALA 12 15.797 -20.198 -3.946 0.094
+ATOM 24 CA ALA 13 17.909 -18.974 -0.628 0.022
+ATOM 25 CB ALA 13 18.405 -19.440 -0.279 0.030
+ATOM 26 CA CYS 14 19.538 -15.532 -0.538 0.008
+ATOM 27 CB CYS 14 18.522 -15.116 -0.036 0.009
+ATOM 28 CA ALA 15 22.521 -14.505 1.587 0.037
+ATOM 29 CB ALA 15 23.118 -14.330 1.273 0.080
+ATOM 30 CA ALA 16 22.327 -14.119 5.417 0.018
+ATOM 31 CB ALA 16 22.731 -14.539 5.898 0.067
+ATOM 32 CA ALA 17 24.994 -12.134 7.298 0.008
+ATOM 33 CB ALA 17 24.718 -11.481 7.623 0.023
+ATOM 34 CA GLY 18 27.540 -13.306 9.886 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1626.77 ENERGY -6.66207E+00
+REMARK time 1726.08 ENERGY 1.18196E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.022 3.383 -2.238 0.089
-ATOM 2 CA ALA 2 -1.192 0.170 -1.595 0.009
-ATOM 3 CB ALA 2 -1.194 -0.151 -2.186 0.061
-ATOM 4 CA ALA 3 1.350 -0.470 1.142 0.023
-ATOM 5 CB ALA 3 1.431 -0.934 1.753 0.047
-ATOM 6 CA ALA 4 5.136 -1.002 1.022 0.005
-ATOM 7 CB ALA 4 5.545 -0.393 1.141 0.015
-ATOM 8 CA CYS 5 6.925 -4.397 0.799 0.014
-ATOM 9 CB CYS 5 6.721 -4.912 -0.300 0.010
-ATOM 10 CA ALA 6 10.587 -5.190 1.223 0.063
-ATOM 11 CB ALA 6 10.636 -5.011 1.864 0.022
-ATOM 12 CA ALA 7 12.863 -7.499 -0.729 0.017
-ATOM 13 CB ALA 7 13.455 -7.492 -1.089 0.034
-ATOM 14 CA ALA 8 13.815 -11.036 0.496 0.015
-ATOM 15 CB ALA 8 13.486 -11.613 0.959 0.044
-ATOM 16 CA ALA 9 15.864 -13.614 -1.374 0.004
-ATOM 17 CB ALA 9 16.532 -13.363 -1.530 0.083
-ATOM 18 CA ALA 10 16.734 -17.230 -0.716 0.012
-ATOM 19 CB ALA 10 16.153 -17.573 -1.078 0.016
-ATOM 20 CA ALA 11 20.106 -18.948 0.046 0.013
-ATOM 21 CB ALA 11 20.810 -18.855 0.346 0.075
-ATOM 22 CA ALA 12 22.061 -21.825 -1.549 0.033
-ATOM 23 CB ALA 12 22.153 -21.662 -2.194 0.030
-ATOM 24 CA ALA 13 24.474 -24.191 0.260 0.001
-ATOM 25 CB ALA 13 24.468 -24.867 0.103 0.094
-ATOM 26 CA CYS 14 28.129 -24.574 -0.421 0.055
-ATOM 27 CB CYS 14 28.179 -24.649 0.803 0.048
-ATOM 28 CA ALA 15 29.656 -27.881 -1.650 0.051
-ATOM 29 CB ALA 15 29.971 -27.603 -2.375 0.006
-ATOM 30 CA ALA 16 30.926 -30.398 0.925 0.046
-ATOM 31 CB ALA 16 30.510 -30.821 1.367 0.216
-ATOM 32 CA ALA 17 34.314 -32.119 1.255 0.112
-ATOM 33 CB ALA 17 34.971 -31.684 1.202 0.033
-ATOM 34 CA GLY 18 34.977 -34.813 3.658 0.000
+ATOM 1 CA GLY 1 19.129 -5.599 -12.340 0.040
+ATOM 2 CA ALA 2 19.356 -8.242 -9.660 0.024
+ATOM 3 CB ALA 2 19.976 -8.159 -9.220 0.093
+ATOM 4 CA ALA 3 17.272 -8.926 -6.514 0.025
+ATOM 5 CB ALA 3 16.745 -9.445 -6.770 0.017
+ATOM 6 CA ALA 4 17.378 -9.369 -2.820 0.028
+ATOM 7 CB ALA 4 17.643 -8.824 -2.404 0.023
+ATOM 8 CA CYS 5 15.351 -11.879 -0.723 0.039
+ATOM 9 CB CYS 5 15.682 -13.064 -0.677 0.025
+ATOM 10 CA ALA 6 13.249 -11.830 2.450 0.019
+ATOM 11 CB ALA 6 13.264 -11.120 2.442 0.095
+ATOM 12 CA ALA 7 10.878 -14.784 2.993 0.023
+ATOM 13 CB ALA 7 10.243 -15.148 2.736 0.065
+ATOM 14 CA ALA 8 12.456 -18.260 3.542 0.024
+ATOM 15 CB ALA 8 12.888 -18.632 4.003 0.146
+ATOM 16 CA ALA 9 10.303 -21.393 3.704 0.045
+ATOM 17 CB ALA 9 9.777 -21.200 4.223 0.159
+ATOM 18 CA ALA 10 10.519 -21.796 -0.053 0.058
+ATOM 19 CB ALA 10 10.417 -21.385 -0.599 0.014
+ATOM 20 CA ALA 11 13.602 -23.176 -1.769 0.005
+ATOM 21 CB ALA 11 13.589 -23.859 -2.038 0.056
+ATOM 22 CA ALA 12 16.521 -21.500 -3.518 0.043
+ATOM 23 CB ALA 12 15.990 -21.532 -4.116 0.002
+ATOM 24 CA ALA 13 18.498 -19.608 -0.895 0.013
+ATOM 25 CB ALA 13 18.675 -20.358 -0.810 0.103
+ATOM 26 CA CYS 14 19.368 -15.943 -0.114 0.018
+ATOM 27 CB CYS 14 18.306 -15.562 0.139 0.007
+ATOM 28 CA ALA 15 22.514 -15.064 1.738 0.021
+ATOM 29 CB ALA 15 23.169 -15.073 1.495 0.014
+ATOM 30 CA ALA 16 22.856 -13.470 5.254 0.016
+ATOM 31 CB ALA 16 22.470 -13.930 5.685 0.009
+ATOM 32 CA ALA 17 25.767 -12.065 7.329 0.022
+ATOM 33 CB ALA 17 26.012 -11.558 6.996 0.062
+ATOM 34 CA GLY 18 27.806 -12.315 10.662 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1648.87 ENERGY -6.55391E+00
+REMARK time 1753.39 ENERGY -2.08542E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -4.325 1.575 0.047 0.008
-ATOM 2 CA ALA 2 -1.044 0.020 -1.041 0.012
-ATOM 3 CB ALA 2 -0.612 0.267 -1.575 0.049
-ATOM 4 CA ALA 3 1.985 0.463 1.242 0.009
-ATOM 5 CB ALA 3 2.031 0.065 1.829 0.073
-ATOM 6 CA ALA 4 5.408 -0.511 -0.160 0.003
-ATOM 7 CB ALA 4 6.000 -0.139 -0.217 0.021
-ATOM 8 CA CYS 5 6.839 -4.040 0.147 0.037
-ATOM 9 CB CYS 5 6.330 -4.817 -0.677 0.042
-ATOM 10 CA ALA 6 10.358 -5.520 0.352 0.014
-ATOM 11 CB ALA 6 10.892 -5.668 0.832 0.076
-ATOM 12 CA ALA 7 12.384 -8.412 -1.017 0.020
-ATOM 13 CB ALA 7 12.698 -8.287 -1.704 0.006
-ATOM 14 CA ALA 8 13.510 -11.621 0.579 0.032
-ATOM 15 CB ALA 8 13.016 -12.118 0.653 0.019
-ATOM 16 CA ALA 9 16.447 -13.984 -0.078 0.037
-ATOM 17 CB ALA 9 17.077 -13.670 -0.148 0.117
-ATOM 18 CA ALA 10 17.053 -17.758 0.412 0.007
-ATOM 19 CB ALA 10 16.510 -18.167 0.096 0.041
-ATOM 20 CA ALA 11 20.450 -19.436 0.654 0.004
-ATOM 21 CB ALA 11 20.865 -19.953 0.973 0.036
-ATOM 22 CA ALA 12 22.709 -20.418 -2.197 0.038
-ATOM 23 CB ALA 12 23.161 -19.818 -2.225 0.093
-ATOM 24 CA ALA 13 24.396 -23.849 -1.875 0.024
-ATOM 25 CB ALA 13 23.593 -23.892 -1.976 0.092
-ATOM 26 CA CYS 14 28.016 -24.824 -0.756 0.025
-ATOM 27 CB CYS 14 28.153 -24.556 0.490 0.020
-ATOM 28 CA ALA 15 30.653 -27.474 -1.108 0.054
-ATOM 29 CB ALA 15 31.207 -27.183 -1.590 0.035
-ATOM 30 CA ALA 16 31.796 -29.038 2.169 0.017
-ATOM 31 CB ALA 16 31.021 -28.753 2.230 0.036
-ATOM 32 CA ALA 17 33.223 -32.596 1.911 0.013
-ATOM 33 CB ALA 17 33.581 -32.829 2.500 0.049
-ATOM 34 CA GLY 18 32.357 -36.256 1.296 0.000
+ATOM 1 CA GLY 1 20.693 -3.642 -7.732 0.005
+ATOM 2 CA ALA 2 20.227 -7.410 -7.458 0.019
+ATOM 3 CB ALA 2 20.567 -7.788 -6.896 0.121
+ATOM 4 CA ALA 3 16.926 -9.325 -6.989 0.029
+ATOM 5 CB ALA 3 16.664 -9.962 -7.252 0.070
+ATOM 6 CA ALA 4 16.622 -10.604 -3.427 0.001
+ATOM 7 CB ALA 4 16.439 -9.990 -3.087 0.041
+ATOM 8 CA CYS 5 15.220 -13.675 -1.660 0.032
+ATOM 9 CB CYS 5 15.848 -14.650 -2.016 0.004
+ATOM 10 CA ALA 6 14.309 -13.339 2.022 0.044
+ATOM 11 CB ALA 6 14.320 -12.729 2.416 0.208
+ATOM 12 CA ALA 7 11.509 -15.573 3.366 0.018
+ATOM 13 CB ALA 7 10.887 -15.905 3.176 0.033
+ATOM 14 CA ALA 8 12.255 -19.094 4.572 0.020
+ATOM 15 CB ALA 8 12.714 -19.303 5.125 0.031
+ATOM 16 CA ALA 9 8.893 -20.313 3.252 0.020
+ATOM 17 CB ALA 9 8.392 -20.026 3.807 0.001
+ATOM 18 CA ALA 10 10.190 -20.456 -0.227 0.018
+ATOM 19 CB ALA 10 10.147 -19.738 -0.179 0.016
+ATOM 20 CA ALA 11 12.812 -22.933 -1.348 0.030
+ATOM 21 CB ALA 11 12.445 -23.012 -2.010 0.095
+ATOM 22 CA ALA 12 16.187 -21.447 -2.309 0.007
+ATOM 23 CB ALA 12 16.474 -20.956 -2.741 0.021
+ATOM 24 CA ALA 13 18.358 -19.485 -0.044 0.020
+ATOM 25 CB ALA 13 18.516 -19.808 0.635 0.032
+ATOM 26 CA CYS 14 20.320 -16.311 -0.964 0.032
+ATOM 27 CB CYS 14 19.496 -15.532 -1.405 0.059
+ATOM 28 CA ALA 15 23.018 -15.367 1.553 0.057
+ATOM 29 CB ALA 15 23.431 -15.532 1.015 0.061
+ATOM 30 CA ALA 16 22.774 -13.169 4.661 0.007
+ATOM 31 CB ALA 16 22.428 -13.885 4.678 0.139
+ATOM 32 CA ALA 17 25.478 -10.787 5.694 0.047
+ATOM 33 CB ALA 17 25.455 -10.204 5.329 0.149
+ATOM 34 CA GLY 18 26.503 -10.374 9.260 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1675.60 ENERGY 5.72897E+00
+REMARK time 1783.39 ENERGY -4.72699E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.650 3.997 0.594 0.017
-ATOM 2 CA ALA 2 -1.110 0.513 0.369 0.038
-ATOM 3 CB ALA 2 -1.659 0.330 -0.181 0.021
-ATOM 4 CA ALA 3 2.515 -0.302 1.323 0.010
-ATOM 5 CB ALA 3 2.562 -0.350 2.068 0.034
-ATOM 6 CA ALA 4 4.564 -2.705 -0.822 0.081
-ATOM 7 CB ALA 4 4.661 -2.213 -1.381 0.078
-ATOM 8 CA CYS 5 7.141 -5.493 -0.225 0.035
-ATOM 9 CB CYS 5 6.856 -6.677 0.266 0.002
-ATOM 10 CA ALA 6 10.684 -5.712 -1.397 0.023
-ATOM 11 CB ALA 6 11.285 -5.349 -1.176 0.051
-ATOM 12 CA ALA 7 12.027 -9.100 -2.111 0.019
-ATOM 13 CB ALA 7 12.375 -9.484 -2.752 0.090
-ATOM 14 CA ALA 8 12.870 -11.440 0.727 0.018
-ATOM 15 CB ALA 8 12.150 -11.437 0.676 0.041
-ATOM 16 CA ALA 9 16.231 -13.252 1.410 0.010
-ATOM 17 CB ALA 9 16.419 -13.122 2.074 0.058
-ATOM 18 CA ALA 10 17.801 -15.856 -0.887 0.045
-ATOM 19 CB ALA 10 18.260 -15.693 -1.400 0.037
-ATOM 20 CA ALA 11 20.663 -18.428 -0.582 0.024
-ATOM 21 CB ALA 11 20.836 -19.211 -0.502 0.027
-ATOM 22 CA ALA 12 24.369 -18.845 -1.069 0.061
-ATOM 23 CB ALA 12 24.675 -18.486 -0.541 0.050
-ATOM 24 CA ALA 13 26.133 -22.098 -1.189 0.056
-ATOM 25 CB ALA 13 26.339 -22.205 -1.850 0.119
-ATOM 26 CA CYS 14 27.484 -25.118 0.694 0.016
-ATOM 27 CB CYS 14 26.700 -25.904 1.300 0.006
-ATOM 28 CA ALA 15 29.075 -27.922 -1.409 0.027
-ATOM 29 CB ALA 15 29.522 -27.450 -1.824 0.038
-ATOM 30 CA ALA 16 29.794 -30.576 1.217 0.053
-ATOM 31 CB ALA 16 29.470 -30.958 1.823 0.274
-ATOM 32 CA ALA 17 32.363 -33.292 1.221 0.010
-ATOM 33 CB ALA 17 32.280 -33.707 0.659 0.009
-ATOM 34 CA GLY 18 35.607 -33.228 3.359 0.000
+ATOM 1 CA GLY 1 22.160 -7.879 -9.371 0.024
+ATOM 2 CA ALA 2 21.232 -7.721 -5.744 0.004
+ATOM 3 CB ALA 2 21.479 -7.139 -5.416 0.160
+ATOM 4 CA ALA 3 17.989 -8.590 -3.886 0.057
+ATOM 5 CB ALA 3 17.633 -9.137 -3.743 0.102
+ATOM 6 CA ALA 4 17.220 -9.289 -0.247 0.011
+ATOM 7 CB ALA 4 16.953 -8.620 -0.051 0.016
+ATOM 8 CA CYS 5 15.687 -12.638 0.590 0.004
+ATOM 9 CB CYS 5 16.565 -13.489 0.659 0.027
+ATOM 10 CA ALA 6 12.846 -12.545 3.138 0.047
+ATOM 11 CB ALA 6 12.337 -12.044 3.089 0.105
+ATOM 12 CA ALA 7 10.851 -15.777 3.072 0.006
+ATOM 13 CB ALA 7 10.488 -15.912 2.463 0.064
+ATOM 14 CA ALA 8 11.580 -19.181 4.476 0.009
+ATOM 15 CB ALA 8 11.322 -19.490 5.033 0.024
+ATOM 16 CA ALA 9 8.445 -20.729 2.750 0.013
+ATOM 17 CB ALA 9 7.905 -20.383 2.530 0.037
+ATOM 18 CA ALA 10 10.217 -20.903 -0.578 0.025
+ATOM 19 CB ALA 10 10.534 -20.412 -1.058 0.073
+ATOM 20 CA ALA 11 12.854 -23.595 -1.337 0.014
+ATOM 21 CB ALA 11 12.787 -24.267 -1.831 0.018
+ATOM 22 CA ALA 12 16.016 -22.507 -3.262 0.010
+ATOM 23 CB ALA 12 16.317 -22.386 -3.937 0.067
+ATOM 24 CA ALA 13 18.832 -20.593 -1.472 0.004
+ATOM 25 CB ALA 13 19.349 -21.121 -1.239 0.069
+ATOM 26 CA CYS 14 19.407 -16.840 -1.458 0.085
+ATOM 27 CB CYS 14 18.486 -16.348 -0.869 0.045
+ATOM 28 CA ALA 15 22.312 -15.120 0.317 0.045
+ATOM 29 CB ALA 15 22.941 -15.131 -0.048 0.014
+ATOM 30 CA ALA 16 23.092 -12.501 2.953 0.025
+ATOM 31 CB ALA 16 23.456 -12.860 3.405 0.059
+ATOM 32 CA ALA 17 25.972 -10.024 2.657 0.043
+ATOM 33 CB ALA 17 26.601 -9.608 2.727 0.161
+ATOM 34 CA GLY 18 25.220 -7.862 5.669 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1694.51 ENERGY -1.27558E+00
+REMARK time 1806.20 ENERGY 4.72459E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.185 5.298 1.062 0.003
-ATOM 2 CA ALA 2 -0.818 1.549 1.499 0.008
-ATOM 3 CB ALA 2 -1.454 1.198 1.259 0.055
-ATOM 4 CA ALA 3 2.328 -0.665 1.143 0.015
-ATOM 5 CB ALA 3 2.725 -0.631 1.702 0.040
-ATOM 6 CA ALA 4 3.463 -3.053 -1.630 0.013
-ATOM 7 CB ALA 4 3.521 -2.584 -2.292 0.062
-ATOM 8 CA CYS 5 5.216 -6.281 -0.831 0.031
-ATOM 9 CB CYS 5 4.530 -7.264 -0.324 0.059
-ATOM 10 CA ALA 6 9.006 -6.613 -0.631 0.001
-ATOM 11 CB ALA 6 9.385 -6.180 -0.066 0.031
-ATOM 12 CA ALA 7 11.719 -9.051 -1.676 0.036
-ATOM 13 CB ALA 7 11.820 -9.035 -2.398 0.103
-ATOM 14 CA ALA 8 14.401 -11.253 -0.102 0.039
-ATOM 15 CB ALA 8 14.635 -11.999 -0.159 0.015
-ATOM 16 CA ALA 9 18.150 -11.458 -0.165 0.025
-ATOM 17 CB ALA 9 18.232 -11.154 0.368 0.101
-ATOM 18 CA ALA 10 19.959 -14.708 -1.291 0.019
-ATOM 19 CB ALA 10 20.293 -14.769 -2.017 0.014
-ATOM 20 CA ALA 11 21.328 -17.854 0.233 0.124
-ATOM 21 CB ALA 11 20.835 -18.382 0.561 0.201
-ATOM 22 CA ALA 12 24.688 -19.284 -0.942 0.040
-ATOM 23 CB ALA 12 25.377 -19.083 -0.680 0.037
-ATOM 24 CA ALA 13 25.361 -23.077 -0.797 0.016
-ATOM 25 CB ALA 13 25.349 -23.097 -1.566 0.082
-ATOM 26 CA CYS 14 26.520 -25.765 1.631 0.002
-ATOM 27 CB CYS 14 26.089 -26.964 1.890 0.037
-ATOM 28 CA ALA 15 29.529 -27.690 0.308 0.005
-ATOM 29 CB ALA 15 30.212 -27.718 0.341 0.037
-ATOM 30 CA ALA 16 29.413 -31.483 0.316 0.024
-ATOM 31 CB ALA 16 29.138 -31.302 -0.297 0.068
-ATOM 32 CA ALA 17 33.100 -32.441 0.489 0.011
-ATOM 33 CB ALA 17 33.380 -32.007 -0.082 0.094
-ATOM 34 CA GLY 18 34.731 -34.438 3.352 0.000
+ATOM 1 CA GLY 1 25.739 -8.065 -4.582 0.036
+ATOM 2 CA ALA 2 22.067 -8.881 -5.266 0.018
+ATOM 3 CB ALA 2 21.930 -9.567 -5.347 0.094
+ATOM 4 CA ALA 3 19.244 -7.578 -2.947 0.007
+ATOM 5 CB ALA 3 19.232 -7.200 -3.687 0.040
+ATOM 6 CA ALA 4 17.715 -9.782 -0.265 0.075
+ATOM 7 CB ALA 4 18.016 -9.201 0.094 0.031
+ATOM 8 CA CYS 5 14.915 -12.360 0.255 0.060
+ATOM 9 CB CYS 5 14.988 -13.523 -0.074 0.020
+ATOM 10 CA ALA 6 13.011 -13.437 3.339 0.006
+ATOM 11 CB ALA 6 12.395 -13.259 3.704 0.045
+ATOM 12 CA ALA 7 10.341 -16.121 2.556 0.027
+ATOM 13 CB ALA 7 9.705 -16.217 2.161 0.147
+ATOM 14 CA ALA 8 11.493 -19.607 3.357 0.008
+ATOM 15 CB ALA 8 12.040 -19.464 3.929 0.020
+ATOM 16 CA ALA 9 9.161 -22.560 3.014 0.005
+ATOM 17 CB ALA 9 8.580 -22.531 3.664 0.043
+ATOM 18 CA ALA 10 8.974 -22.381 -0.797 0.004
+ATOM 19 CB ALA 10 8.960 -21.711 -1.012 0.069
+ATOM 20 CA ALA 11 12.401 -23.906 -1.886 0.008
+ATOM 21 CB ALA 11 12.565 -24.299 -2.420 0.092
+ATOM 22 CA ALA 12 15.527 -21.891 -2.783 0.065
+ATOM 23 CB ALA 12 15.777 -21.303 -3.168 0.101
+ATOM 24 CA ALA 13 18.044 -19.940 -0.566 0.022
+ATOM 25 CB ALA 13 18.641 -20.378 -0.419 0.074
+ATOM 26 CA CYS 14 18.798 -16.202 -0.316 0.044
+ATOM 27 CB CYS 14 17.874 -15.432 -0.268 0.030
+ATOM 28 CA ALA 15 21.956 -14.484 0.931 0.041
+ATOM 29 CB ALA 15 22.457 -14.604 0.405 0.068
+ATOM 30 CA ALA 16 23.357 -11.085 1.957 0.013
+ATOM 31 CB ALA 16 23.411 -10.589 2.569 0.131
+ATOM 32 CA ALA 17 26.433 -9.405 0.506 0.006
+ATOM 33 CB ALA 17 26.158 -9.152 -0.133 0.152
+ATOM 34 CA GLY 18 26.818 -7.089 3.414 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1718.65 ENERGY 1.08418E-01
+REMARK time 1831.66 ENERGY 3.82419E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 0.011 4.619 2.672 0.014
-ATOM 2 CA ALA 2 -0.555 1.304 0.825 0.026
-ATOM 3 CB ALA 2 -0.637 1.609 0.214 0.024
-ATOM 4 CA ALA 3 1.283 -1.785 1.900 0.003
-ATOM 5 CB ALA 3 1.024 -2.246 2.463 0.016
-ATOM 6 CA ALA 4 4.333 -2.605 -0.199 0.066
-ATOM 7 CB ALA 4 4.820 -2.028 -0.402 0.047
-ATOM 8 CA CYS 5 5.871 -5.984 -1.156 0.011
-ATOM 9 CB CYS 5 5.150 -6.881 -1.655 0.020
-ATOM 10 CA ALA 6 9.482 -6.905 -0.935 0.024
-ATOM 11 CB ALA 6 10.132 -7.027 -0.484 0.087
-ATOM 12 CA ALA 7 11.651 -9.717 -2.369 0.012
-ATOM 13 CB ALA 7 12.061 -9.894 -2.929 0.006
-ATOM 14 CA ALA 8 14.253 -11.719 -0.448 0.040
-ATOM 15 CB ALA 8 13.960 -12.459 -0.463 0.072
-ATOM 16 CA ALA 9 17.716 -12.396 -1.744 0.039
-ATOM 17 CB ALA 9 18.183 -12.062 -1.304 0.122
-ATOM 18 CA ALA 10 19.892 -15.497 -2.393 0.021
-ATOM 19 CB ALA 10 20.143 -15.964 -2.819 0.244
-ATOM 20 CA ALA 11 21.517 -16.535 0.863 0.032
-ATOM 21 CB ALA 11 21.317 -17.014 1.385 0.049
-ATOM 22 CA ALA 12 24.090 -19.284 1.186 0.071
-ATOM 23 CB ALA 12 24.726 -19.079 1.568 0.077
-ATOM 24 CA ALA 13 24.297 -22.977 0.328 0.010
-ATOM 25 CB ALA 13 24.018 -22.711 -0.335 0.058
-ATOM 26 CA CYS 14 27.778 -24.350 1.195 0.014
-ATOM 27 CB CYS 14 26.971 -24.921 2.026 0.095
-ATOM 28 CA ALA 15 29.431 -27.378 -0.516 0.041
-ATOM 29 CB ALA 15 30.234 -27.337 -0.562 0.068
-ATOM 30 CA ALA 16 28.926 -31.124 0.262 0.037
-ATOM 31 CB ALA 16 28.641 -31.162 -0.449 0.031
-ATOM 32 CA ALA 17 32.372 -32.812 0.384 0.004
-ATOM 33 CB ALA 17 32.649 -32.107 0.126 0.003
-ATOM 34 CA GLY 18 34.001 -34.860 3.124 0.000
+ATOM 1 CA GLY 1 22.515 -6.849 -7.997 0.021
+ATOM 2 CA ALA 2 22.035 -7.540 -4.284 0.015
+ATOM 3 CB ALA 2 22.461 -7.230 -3.751 0.028
+ATOM 4 CA ALA 3 18.337 -8.518 -3.702 0.035
+ATOM 5 CB ALA 3 18.090 -8.869 -4.216 0.079
+ATOM 6 CA ALA 4 17.339 -9.169 -0.104 0.020
+ATOM 7 CB ALA 4 17.257 -8.427 -0.285 0.067
+ATOM 8 CA CYS 5 15.770 -12.461 0.825 0.034
+ATOM 9 CB CYS 5 16.787 -13.128 1.263 0.008
+ATOM 10 CA ALA 6 12.020 -13.179 1.120 0.021
+ATOM 11 CB ALA 6 11.735 -13.610 0.475 0.081
+ATOM 12 CA ALA 7 10.661 -15.708 3.596 0.038
+ATOM 13 CB ALA 7 9.896 -15.817 3.948 0.058
+ATOM 14 CA ALA 8 11.785 -19.249 3.753 0.010
+ATOM 15 CB ALA 8 12.019 -19.388 4.390 0.072
+ATOM 16 CA ALA 9 8.829 -21.399 2.737 0.020
+ATOM 17 CB ALA 9 8.235 -20.938 2.670 0.100
+ATOM 18 CA ALA 10 10.415 -22.122 -0.631 0.004
+ATOM 19 CB ALA 10 10.618 -21.627 -1.112 0.182
+ATOM 20 CA ALA 11 13.782 -23.782 -1.156 0.051
+ATOM 21 CB ALA 11 13.627 -24.464 -1.449 0.026
+ATOM 22 CA ALA 12 14.988 -21.078 -3.494 0.008
+ATOM 23 CB ALA 12 14.427 -21.482 -3.904 0.060
+ATOM 24 CA ALA 13 17.120 -19.579 -0.751 0.021
+ATOM 25 CB ALA 13 17.292 -20.230 -0.320 0.053
+ATOM 26 CA CYS 14 19.260 -16.372 -0.880 0.012
+ATOM 27 CB CYS 14 18.869 -15.363 -0.196 0.004
+ATOM 28 CA ALA 15 22.671 -16.191 0.868 0.029
+ATOM 29 CB ALA 15 23.121 -16.822 0.668 0.056
+ATOM 30 CA ALA 16 23.366 -12.779 2.373 0.019
+ATOM 31 CB ALA 16 23.105 -12.873 3.140 0.009
+ATOM 32 CA ALA 17 25.537 -10.002 1.012 0.016
+ATOM 33 CB ALA 17 25.469 -9.612 0.354 0.132
+ATOM 34 CA GLY 18 26.801 -8.160 4.043 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1742.19 ENERGY -2.06088E+00
+REMARK time 1858.32 ENERGY -1.11895E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.667 2.284 3.644 0.015
-ATOM 2 CA ALA 2 -0.809 1.508 1.301 0.003
-ATOM 3 CB ALA 2 -0.408 1.982 0.867 0.003
-ATOM 4 CA ALA 3 1.918 -0.965 2.058 0.003
-ATOM 5 CB ALA 3 1.895 -1.684 2.409 0.112
-ATOM 6 CA ALA 4 5.356 -1.990 0.619 0.022
-ATOM 7 CB ALA 4 5.918 -1.704 1.038 0.084
-ATOM 8 CA CYS 5 6.581 -4.819 -1.619 0.021
-ATOM 9 CB CYS 5 5.634 -5.245 -2.285 0.037
-ATOM 10 CA ALA 6 9.550 -7.075 -1.598 0.023
-ATOM 11 CB ALA 6 9.716 -7.582 -1.030 0.012
-ATOM 12 CA ALA 7 11.475 -9.545 -3.657 0.070
-ATOM 13 CB ALA 7 12.132 -9.327 -3.633 0.049
-ATOM 14 CA ALA 8 12.958 -12.939 -2.746 0.080
-ATOM 15 CB ALA 8 13.058 -13.260 -3.476 0.148
-ATOM 16 CA ALA 9 16.252 -13.738 -1.014 0.020
-ATOM 17 CB ALA 9 16.494 -13.830 -0.312 0.140
-ATOM 18 CA ALA 10 19.344 -15.941 -1.388 0.014
-ATOM 19 CB ALA 10 20.073 -15.857 -1.544 0.008
-ATOM 20 CA ALA 11 21.541 -17.163 1.413 0.039
-ATOM 21 CB ALA 11 21.006 -17.510 1.692 0.019
-ATOM 22 CA ALA 12 24.917 -18.834 1.246 0.055
-ATOM 23 CB ALA 12 25.379 -18.345 1.593 0.229
-ATOM 24 CA ALA 13 25.858 -22.202 -0.224 0.037
-ATOM 25 CB ALA 13 26.226 -22.587 -0.860 0.050
-ATOM 26 CA CYS 14 28.643 -23.993 1.700 0.064
-ATOM 27 CB CYS 14 27.931 -24.875 2.132 0.111
-ATOM 28 CA ALA 15 29.861 -27.278 0.162 0.011
-ATOM 29 CB ALA 15 30.549 -27.518 0.085 0.033
-ATOM 30 CA ALA 16 29.273 -30.699 1.524 0.003
-ATOM 31 CB ALA 16 28.632 -31.000 1.268 0.003
-ATOM 32 CA ALA 17 30.674 -33.811 -0.154 0.000
-ATOM 33 CB ALA 17 30.553 -34.103 -0.903 0.045
-ATOM 34 CA GLY 18 34.033 -33.420 1.550 0.000
+ATOM 1 CA GLY 1 19.508 -2.044 -8.424 0.007
+ATOM 2 CA ALA 2 20.286 -4.851 -5.950 0.012
+ATOM 3 CB ALA 2 20.248 -4.555 -5.273 0.088
+ATOM 4 CA ALA 3 18.852 -8.382 -5.962 0.003
+ATOM 5 CB ALA 3 19.330 -8.723 -6.395 0.189
+ATOM 6 CA ALA 4 16.517 -9.563 -3.140 0.015
+ATOM 7 CB ALA 4 15.876 -9.374 -3.202 0.027
+ATOM 8 CA CYS 5 15.453 -12.304 -0.743 0.021
+ATOM 9 CB CYS 5 16.401 -13.125 -0.494 0.032
+ATOM 10 CA ALA 6 12.287 -13.629 0.724 0.004
+ATOM 11 CB ALA 6 11.697 -13.534 0.304 0.050
+ATOM 12 CA ALA 7 12.077 -15.715 3.874 0.022
+ATOM 13 CB ALA 7 11.803 -15.270 4.422 0.026
+ATOM 14 CA ALA 8 12.377 -19.396 3.258 0.027
+ATOM 15 CB ALA 8 13.056 -19.671 3.490 0.082
+ATOM 16 CA ALA 9 9.220 -21.510 2.971 0.011
+ATOM 17 CB ALA 9 8.667 -21.716 3.341 0.060
+ATOM 18 CA ALA 10 9.227 -21.495 -0.885 0.012
+ATOM 19 CB ALA 10 8.963 -20.862 -1.126 0.108
+ATOM 20 CA ALA 11 11.920 -23.566 -2.634 0.016
+ATOM 21 CB ALA 11 11.442 -24.011 -2.982 0.015
+ATOM 22 CA ALA 12 15.200 -21.616 -1.984 0.025
+ATOM 23 CB ALA 12 15.250 -20.968 -2.314 0.081
+ATOM 24 CA ALA 13 17.763 -20.763 0.650 0.019
+ATOM 25 CB ALA 13 18.142 -21.333 0.908 0.087
+ATOM 26 CA CYS 14 19.127 -17.166 0.815 0.049
+ATOM 27 CB CYS 14 18.202 -16.369 0.452 0.022
+ATOM 28 CA ALA 15 22.162 -16.227 2.870 0.016
+ATOM 29 CB ALA 15 22.922 -16.386 2.832 0.010
+ATOM 30 CA ALA 16 24.276 -13.119 3.733 0.000
+ATOM 31 CB ALA 16 23.773 -13.172 4.274 0.064
+ATOM 32 CA ALA 17 27.731 -11.600 3.379 0.016
+ATOM 33 CB ALA 17 27.554 -11.079 3.095 0.202
+ATOM 34 CA GLY 18 29.794 -9.728 6.078 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1770.26 ENERGY 2.39903E+00
+REMARK time 1885.61 ENERGY -6.76667E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.972 3.614 4.908 0.042
-ATOM 2 CA ALA 2 -1.511 1.096 2.134 0.038
-ATOM 3 CB ALA 2 -1.725 1.191 1.499 0.125
-ATOM 4 CA ALA 3 0.872 -1.717 1.510 0.019
-ATOM 5 CB ALA 3 0.907 -2.391 1.838 0.053
-ATOM 6 CA ALA 4 3.624 -1.909 -1.030 0.002
-ATOM 7 CB ALA 4 4.108 -1.455 -0.690 0.099
-ATOM 8 CA CYS 5 5.965 -4.535 -2.321 0.033
-ATOM 9 CB CYS 5 5.948 -4.467 -3.506 0.010
-ATOM 10 CA ALA 6 9.057 -6.325 -0.910 0.028
-ATOM 11 CB ALA 6 8.982 -7.079 -0.709 0.184
-ATOM 12 CA ALA 7 12.515 -7.630 -1.681 0.041
-ATOM 13 CB ALA 7 12.673 -7.202 -1.151 0.092
-ATOM 14 CA ALA 8 13.551 -11.250 -1.946 0.014
-ATOM 15 CB ALA 8 13.811 -11.582 -2.508 0.082
-ATOM 16 CA ALA 9 16.779 -13.075 -0.860 0.039
-ATOM 17 CB ALA 9 16.731 -13.411 -0.216 0.056
-ATOM 18 CA ALA 10 19.045 -15.883 -2.106 0.020
-ATOM 19 CB ALA 10 19.484 -15.918 -2.653 0.111
-ATOM 20 CA ALA 11 21.141 -17.740 0.563 0.025
-ATOM 21 CB ALA 11 21.207 -18.361 0.994 0.001
-ATOM 22 CA ALA 12 24.162 -19.888 -0.313 0.009
-ATOM 23 CB ALA 12 24.733 -19.791 -0.661 0.029
-ATOM 24 CA ALA 13 25.324 -23.205 1.375 0.019
-ATOM 25 CB ALA 13 25.143 -23.675 0.779 0.006
-ATOM 26 CA CYS 14 28.749 -24.803 1.220 0.011
-ATOM 27 CB CYS 14 29.081 -24.057 2.231 0.085
-ATOM 28 CA ALA 15 30.054 -28.102 -0.224 0.002
-ATOM 29 CB ALA 15 30.595 -28.082 -0.744 0.048
-ATOM 30 CA ALA 16 29.667 -31.475 1.352 0.045
-ATOM 31 CB ALA 16 29.045 -31.078 1.120 0.037
-ATOM 32 CA ALA 17 32.041 -34.424 0.859 0.015
-ATOM 33 CB ALA 17 32.048 -34.726 0.190 0.088
-ATOM 34 CA GLY 18 35.511 -34.754 2.243 0.000
+ATOM 1 CA GLY 1 17.028 -3.806 -10.407 0.038
+ATOM 2 CA ALA 2 18.285 -4.345 -6.858 0.026
+ATOM 3 CB ALA 2 17.970 -3.700 -6.518 0.073
+ATOM 4 CA ALA 3 18.198 -7.833 -5.276 0.041
+ATOM 5 CB ALA 3 18.777 -8.237 -5.245 0.111
+ATOM 6 CA ALA 4 15.832 -9.514 -2.803 0.013
+ATOM 7 CB ALA 4 15.147 -9.293 -2.812 0.131
+ATOM 8 CA CYS 5 16.473 -12.834 -0.962 0.011
+ATOM 9 CB CYS 5 17.347 -13.047 -0.168 0.037
+ATOM 10 CA ALA 6 13.237 -14.638 -0.102 0.048
+ATOM 11 CB ALA 6 12.945 -15.175 -0.521 0.029
+ATOM 12 CA ALA 7 11.273 -15.585 3.063 0.032
+ATOM 13 CB ALA 7 10.498 -15.600 2.857 0.117
+ATOM 14 CA ALA 8 10.798 -18.829 4.942 0.054
+ATOM 15 CB ALA 8 11.356 -18.370 5.159 0.056
+ATOM 16 CA ALA 9 8.044 -19.794 2.488 0.019
+ATOM 17 CB ALA 9 7.440 -19.875 2.154 0.128
+ATOM 18 CA ALA 10 10.530 -20.637 -0.252 0.028
+ATOM 19 CB ALA 10 10.695 -19.905 -0.447 0.080
+ATOM 20 CA ALA 11 12.804 -23.722 -0.846 0.016
+ATOM 21 CB ALA 11 12.602 -24.168 -1.338 0.002
+ATOM 22 CA ALA 12 15.433 -21.480 -2.640 0.058
+ATOM 23 CB ALA 12 15.540 -20.861 -3.031 0.093
+ATOM 24 CA ALA 13 18.692 -20.396 -1.036 0.059
+ATOM 25 CB ALA 13 19.275 -20.821 -1.069 0.153
+ATOM 26 CA CYS 14 19.893 -17.060 0.369 0.017
+ATOM 27 CB CYS 14 19.023 -16.250 0.478 0.009
+ATOM 28 CA ALA 15 23.365 -15.719 1.276 0.011
+ATOM 29 CB ALA 15 23.905 -15.470 0.782 0.095
+ATOM 30 CA ALA 16 24.460 -13.837 4.458 0.029
+ATOM 31 CB ALA 16 24.380 -13.825 5.201 0.057
+ATOM 32 CA ALA 17 27.873 -12.461 5.168 0.008
+ATOM 33 CB ALA 17 27.566 -11.994 4.798 0.054
+ATOM 34 CA GLY 18 28.968 -13.631 8.570 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1794.45 ENERGY -1.08784E+01
+REMARK time 1913.32 ENERGY -3.90994E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -4.225 1.412 3.142 0.037
-ATOM 2 CA ALA 2 -0.954 1.677 1.250 0.021
-ATOM 3 CB ALA 2 -0.501 2.274 1.157 0.113
-ATOM 4 CA ALA 3 0.929 -1.648 1.254 0.026
-ATOM 5 CB ALA 3 0.316 -2.004 1.054 0.064
-ATOM 6 CA ALA 4 4.640 -1.934 0.416 0.031
-ATOM 7 CB ALA 4 5.027 -1.334 0.574 0.080
-ATOM 8 CA CYS 5 6.325 -5.011 -0.898 0.009
-ATOM 9 CB CYS 5 6.237 -5.621 -1.975 0.021
-ATOM 10 CA ALA 6 10.014 -5.871 -1.161 0.023
-ATOM 11 CB ALA 6 10.118 -5.991 -0.400 0.039
-ATOM 12 CA ALA 7 11.465 -9.052 -2.634 0.015
-ATOM 13 CB ALA 7 12.046 -8.950 -3.089 0.034
-ATOM 14 CA ALA 8 13.926 -11.193 -0.700 0.042
-ATOM 15 CB ALA 8 13.598 -11.840 -0.715 0.012
-ATOM 16 CA ALA 9 17.637 -11.614 -1.308 0.030
-ATOM 17 CB ALA 9 18.237 -11.557 -0.901 0.068
-ATOM 18 CA ALA 10 19.341 -14.927 -1.997 0.024
-ATOM 19 CB ALA 10 19.683 -15.013 -2.669 0.098
-ATOM 20 CA ALA 11 20.939 -17.509 0.276 0.022
-ATOM 21 CB ALA 11 20.718 -18.137 0.592 0.061
-ATOM 22 CA ALA 12 23.997 -19.820 0.295 0.002
-ATOM 23 CB ALA 12 24.650 -19.755 0.602 0.059
-ATOM 24 CA ALA 13 24.193 -23.467 -0.640 0.016
-ATOM 25 CB ALA 13 23.797 -23.865 -1.198 0.004
-ATOM 26 CA CYS 14 26.889 -26.069 0.235 0.001
-ATOM 27 CB CYS 14 27.677 -25.178 0.523 0.020
-ATOM 28 CA ALA 15 28.271 -29.547 0.921 0.007
-ATOM 29 CB ALA 15 28.036 -29.949 0.408 0.045
-ATOM 30 CA ALA 16 31.708 -30.148 2.382 0.109
-ATOM 31 CB ALA 16 31.626 -30.496 3.013 0.077
-ATOM 32 CA ALA 17 34.255 -32.252 0.569 0.100
-ATOM 33 CB ALA 17 34.997 -32.156 0.650 0.045
-ATOM 34 CA GLY 18 32.907 -35.551 1.959 0.000
+ATOM 1 CA GLY 1 18.915 -1.920 -8.468 0.052
+ATOM 2 CA ALA 2 18.602 -5.666 -7.703 0.012
+ATOM 3 CB ALA 2 19.137 -5.987 -7.371 0.059
+ATOM 4 CA ALA 3 15.938 -7.972 -6.313 0.055
+ATOM 5 CB ALA 3 15.813 -8.427 -6.914 0.093
+ATOM 6 CA ALA 4 16.148 -9.392 -2.769 0.021
+ATOM 7 CB ALA 4 15.901 -8.832 -2.344 0.139
+ATOM 8 CA CYS 5 16.102 -12.919 -1.194 0.046
+ATOM 9 CB CYS 5 17.006 -13.472 -0.585 0.052
+ATOM 10 CA ALA 6 12.956 -13.384 0.904 0.102
+ATOM 11 CB ALA 6 12.610 -13.870 0.416 0.004
+ATOM 12 CA ALA 7 12.307 -15.197 4.180 0.024
+ATOM 13 CB ALA 7 11.915 -14.627 4.220 0.067
+ATOM 14 CA ALA 8 11.863 -18.925 3.716 0.024
+ATOM 15 CB ALA 8 12.338 -19.174 4.338 0.036
+ATOM 16 CA ALA 9 8.560 -20.105 2.260 0.033
+ATOM 17 CB ALA 9 8.046 -19.604 2.412 0.079
+ATOM 18 CA ALA 10 10.154 -21.116 -1.068 0.030
+ATOM 19 CB ALA 10 10.447 -20.429 -1.050 0.064
+ATOM 20 CA ALA 11 12.669 -23.936 -1.394 0.077
+ATOM 21 CB ALA 11 12.405 -24.724 -1.410 0.021
+ATOM 22 CA ALA 12 15.615 -21.790 -2.479 0.022
+ATOM 23 CB ALA 12 15.432 -21.238 -3.007 0.016
+ATOM 24 CA ALA 13 18.445 -19.890 -0.653 0.003
+ATOM 25 CB ALA 13 19.020 -20.225 -0.282 0.036
+ATOM 26 CA CYS 14 20.350 -16.703 -0.393 0.013
+ATOM 27 CB CYS 14 19.433 -16.200 0.120 0.009
+ATOM 28 CA ALA 15 23.443 -15.553 1.472 0.064
+ATOM 29 CB ALA 15 23.942 -15.225 1.097 0.055
+ATOM 30 CA ALA 16 24.163 -14.951 5.110 0.021
+ATOM 31 CB ALA 16 23.953 -15.693 5.112 0.083
+ATOM 32 CA ALA 17 26.308 -12.069 6.303 0.020
+ATOM 33 CB ALA 17 25.943 -11.525 6.788 0.079
+ATOM 34 CA GLY 18 29.809 -12.021 7.534 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1820.32 ENERGY 2.57232E+00
+REMARK time 1937.97 ENERGY -6.32141E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.064 2.969 1.588 0.001
-ATOM 2 CA ALA 2 -0.637 0.894 -0.459 0.012
-ATOM 3 CB ALA 2 0.022 1.203 -0.694 0.035
-ATOM 4 CA ALA 3 0.943 -2.558 0.104 0.057
-ATOM 5 CB ALA 3 0.659 -3.190 -0.277 0.073
-ATOM 6 CA ALA 4 4.642 -2.123 1.093 0.007
-ATOM 7 CB ALA 4 4.953 -1.656 1.650 0.035
-ATOM 8 CA CYS 5 6.419 -5.421 0.958 0.037
-ATOM 9 CB CYS 5 5.917 -6.312 0.221 0.048
-ATOM 10 CA ALA 6 10.177 -6.213 1.361 0.074
-ATOM 11 CB ALA 6 10.604 -6.489 2.040 0.068
-ATOM 12 CA ALA 7 12.651 -7.255 -1.283 0.016
-ATOM 13 CB ALA 7 13.256 -6.849 -1.504 0.034
-ATOM 14 CA ALA 8 14.236 -10.628 -1.401 0.043
-ATOM 15 CB ALA 8 14.207 -11.320 -1.575 0.033
-ATOM 16 CA ALA 9 17.175 -12.100 -3.515 0.017
-ATOM 17 CB ALA 9 17.829 -11.914 -3.305 0.036
-ATOM 18 CA ALA 10 18.241 -15.709 -2.795 0.005
-ATOM 19 CB ALA 10 18.460 -15.949 -3.460 0.071
-ATOM 20 CA ALA 11 21.178 -17.303 -0.828 0.014
-ATOM 21 CB ALA 11 20.662 -17.755 -0.505 0.030
-ATOM 22 CA ALA 12 23.799 -20.006 -1.134 0.057
-ATOM 23 CB ALA 12 24.565 -20.009 -1.017 0.067
-ATOM 24 CA ALA 13 24.223 -23.466 0.358 0.050
-ATOM 25 CB ALA 13 23.646 -23.823 0.017 0.056
-ATOM 26 CA CYS 14 27.024 -25.745 1.606 0.007
-ATOM 27 CB CYS 14 27.779 -25.081 2.297 0.008
-ATOM 28 CA ALA 15 26.912 -29.648 1.772 0.009
-ATOM 29 CB ALA 15 26.780 -30.169 1.240 0.030
-ATOM 30 CA ALA 16 30.719 -29.874 1.472 0.014
-ATOM 31 CB ALA 16 31.230 -30.028 2.040 0.064
-ATOM 32 CA ALA 17 33.408 -32.218 0.094 0.017
-ATOM 33 CB ALA 17 33.880 -32.171 -0.473 0.202
-ATOM 34 CA GLY 18 36.351 -33.863 1.817 0.000
+ATOM 1 CA GLY 1 19.458 -6.256 -10.666 0.028
+ATOM 2 CA ALA 2 19.951 -7.167 -7.040 0.024
+ATOM 3 CB ALA 2 20.412 -7.126 -6.512 0.033
+ATOM 4 CA ALA 3 16.976 -7.956 -4.821 0.029
+ATOM 5 CB ALA 3 16.802 -8.681 -4.950 0.070
+ATOM 6 CA ALA 4 16.715 -8.314 -1.087 0.009
+ATOM 7 CB ALA 4 16.526 -7.877 -0.549 0.032
+ATOM 8 CA CYS 5 16.118 -11.987 -0.039 0.001
+ATOM 9 CB CYS 5 17.063 -12.855 0.229 0.012
+ATOM 10 CA ALA 6 12.690 -12.162 1.645 0.001
+ATOM 11 CB ALA 6 11.942 -11.852 1.696 0.176
+ATOM 12 CA ALA 7 12.049 -15.776 2.758 0.029
+ATOM 13 CB ALA 7 11.400 -15.924 2.456 0.069
+ATOM 14 CA ALA 8 14.231 -18.826 2.812 0.002
+ATOM 15 CB ALA 8 14.706 -18.829 3.393 0.026
+ATOM 16 CA ALA 9 11.320 -21.287 3.324 0.092
+ATOM 17 CB ALA 9 10.811 -21.522 3.895 0.059
+ATOM 18 CA ALA 10 10.274 -21.086 -0.401 0.007
+ATOM 19 CB ALA 10 10.070 -20.419 -0.681 0.034
+ATOM 20 CA ALA 11 11.862 -23.836 -2.525 0.017
+ATOM 21 CB ALA 11 11.508 -24.186 -3.104 0.050
+ATOM 22 CA ALA 12 14.902 -21.586 -3.455 0.017
+ATOM 23 CB ALA 12 14.573 -21.030 -3.813 0.129
+ATOM 24 CA ALA 13 17.458 -20.405 -0.940 0.052
+ATOM 25 CB ALA 13 17.655 -21.144 -0.995 0.058
+ATOM 26 CA CYS 14 19.212 -17.052 -0.490 0.030
+ATOM 27 CB CYS 14 18.514 -16.132 -0.265 0.028
+ATOM 28 CA ALA 15 22.239 -15.921 1.612 0.050
+ATOM 29 CB ALA 15 22.580 -16.441 1.226 0.156
+ATOM 30 CA ALA 16 23.261 -13.034 3.825 0.027
+ATOM 31 CB ALA 16 22.752 -12.829 4.323 0.076
+ATOM 32 CA ALA 17 26.471 -11.645 5.330 0.043
+ATOM 33 CB ALA 17 26.715 -11.286 4.762 0.328
+ATOM 34 CA GLY 18 26.927 -11.017 9.059 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1843.15 ENERGY -3.60906E+00
+REMARK time 1964.72 ENERGY -5.37393E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.796 2.893 -1.337 0.044
-ATOM 2 CA ALA 2 -1.628 -0.530 -0.166 0.003
-ATOM 3 CB ALA 2 -1.768 -1.173 -0.528 0.061
-ATOM 4 CA ALA 3 1.745 -0.617 1.496 0.054
-ATOM 5 CB ALA 3 2.069 -0.680 2.106 0.035
-ATOM 6 CA ALA 4 5.008 -2.083 0.215 0.071
-ATOM 7 CB ALA 4 5.752 -1.871 0.284 0.009
-ATOM 8 CA CYS 5 6.228 -5.651 0.162 0.003
-ATOM 9 CB CYS 5 6.150 -6.240 -1.011 0.030
-ATOM 10 CA ALA 6 9.925 -6.178 0.867 0.001
-ATOM 11 CB ALA 6 10.109 -6.622 1.356 0.120
-ATOM 12 CA ALA 7 13.002 -7.905 -0.664 0.033
-ATOM 13 CB ALA 7 13.110 -7.353 -1.138 0.033
-ATOM 14 CA ALA 8 15.454 -10.732 0.207 0.050
-ATOM 15 CB ALA 8 15.066 -11.307 0.393 0.025
-ATOM 16 CA ALA 9 18.608 -12.299 -1.267 0.017
-ATOM 17 CB ALA 9 19.254 -12.136 -0.919 0.061
-ATOM 18 CA ALA 10 18.093 -15.977 -1.690 0.015
-ATOM 19 CB ALA 10 17.947 -15.833 -2.371 0.121
-ATOM 20 CA ALA 11 20.052 -19.037 -0.477 0.029
-ATOM 21 CB ALA 11 19.866 -19.084 0.247 0.092
-ATOM 22 CA ALA 12 22.080 -21.349 -2.607 0.002
-ATOM 23 CB ALA 12 22.461 -20.739 -2.903 0.053
-ATOM 24 CA ALA 13 23.581 -24.212 -0.541 0.023
-ATOM 25 CB ALA 13 23.323 -24.963 -0.550 0.073
-ATOM 26 CA CYS 14 27.071 -23.961 0.891 0.022
-ATOM 27 CB CYS 14 27.444 -23.540 2.052 0.046
-ATOM 28 CA ALA 15 29.331 -27.017 0.657 0.027
-ATOM 29 CB ALA 15 29.628 -26.708 0.009 0.045
-ATOM 30 CA ALA 16 31.264 -29.810 2.290 0.023
-ATOM 31 CB ALA 16 31.132 -30.479 2.702 0.104
-ATOM 32 CA ALA 17 33.209 -32.081 0.030 0.008
-ATOM 33 CB ALA 17 33.853 -32.179 -0.358 0.102
-ATOM 34 CA GLY 18 33.110 -35.593 1.500 0.000
+ATOM 1 CA GLY 1 22.800 -5.562 -7.815 0.002
+ATOM 2 CA ALA 2 21.630 -8.898 -6.358 0.011
+ATOM 3 CB ALA 2 22.023 -9.243 -5.805 0.093
+ATOM 4 CA ALA 3 18.275 -9.910 -4.861 0.033
+ATOM 5 CB ALA 3 18.054 -10.473 -5.307 0.003
+ATOM 6 CA ALA 4 16.561 -9.971 -1.497 0.065
+ATOM 7 CB ALA 4 16.175 -9.413 -1.815 0.069
+ATOM 8 CA CYS 5 14.787 -12.655 0.560 0.009
+ATOM 9 CB CYS 5 15.052 -13.880 0.517 0.024
+ATOM 10 CA ALA 6 13.319 -12.241 4.000 0.044
+ATOM 11 CB ALA 6 12.799 -11.724 4.130 0.009
+ATOM 12 CA ALA 7 12.067 -15.818 4.131 0.024
+ATOM 13 CB ALA 7 11.457 -16.000 3.842 0.069
+ATOM 14 CA ALA 8 13.938 -19.102 4.817 0.019
+ATOM 15 CB ALA 8 14.109 -19.551 5.318 0.072
+ATOM 16 CA ALA 9 10.818 -21.111 3.702 0.095
+ATOM 17 CB ALA 9 10.124 -21.029 3.957 0.024
+ATOM 18 CA ALA 10 11.511 -20.348 0.042 0.043
+ATOM 19 CB ALA 10 11.903 -19.760 0.208 0.062
+ATOM 20 CA ALA 11 12.449 -23.039 -2.532 0.027
+ATOM 21 CB ALA 11 12.097 -23.642 -2.786 0.025
+ATOM 22 CA ALA 12 14.829 -20.646 -4.375 0.021
+ATOM 23 CB ALA 12 14.358 -20.304 -4.909 0.056
+ATOM 24 CA ALA 13 18.461 -19.832 -3.319 0.027
+ATOM 25 CB ALA 13 18.994 -20.053 -3.732 0.047
+ATOM 26 CA CYS 14 18.621 -16.576 -1.203 0.036
+ATOM 27 CB CYS 14 17.606 -16.360 -0.573 0.007
+ATOM 28 CA ALA 15 21.532 -14.745 0.143 0.018
+ATOM 29 CB ALA 15 21.926 -14.736 -0.447 0.004
+ATOM 30 CA ALA 16 22.063 -12.443 3.072 0.092
+ATOM 31 CB ALA 16 21.481 -12.835 3.594 0.171
+ATOM 32 CA ALA 17 25.414 -10.851 4.161 0.009
+ATOM 33 CB ALA 17 25.439 -10.941 3.440 0.040
+ATOM 34 CA GLY 18 25.812 -9.011 7.422 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1868.13 ENERGY -4.05408E+00
+REMARK time 1987.63 ENERGY -1.37497E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -4.295 1.073 0.874 0.043
-ATOM 2 CA ALA 2 -1.786 -0.426 -1.477 0.012
-ATOM 3 CB ALA 2 -2.445 -0.339 -1.809 0.106
-ATOM 4 CA ALA 3 1.685 -0.210 -0.214 0.034
-ATOM 5 CB ALA 3 1.541 -0.152 0.503 0.188
-ATOM 6 CA ALA 4 4.681 -2.280 -1.244 0.004
-ATOM 7 CB ALA 4 4.909 -1.949 -1.770 0.042
-ATOM 8 CA CYS 5 7.648 -3.543 0.670 0.027
-ATOM 9 CB CYS 5 6.901 -3.955 1.679 0.097
-ATOM 10 CA ALA 6 11.056 -5.032 -0.113 0.014
-ATOM 11 CB ALA 6 11.656 -4.566 -0.070 0.084
-ATOM 12 CA ALA 7 12.277 -8.638 -0.762 0.024
-ATOM 13 CB ALA 7 12.626 -9.097 -1.184 0.063
-ATOM 14 CA ALA 8 14.221 -10.987 1.555 0.003
-ATOM 15 CB ALA 8 13.600 -10.996 1.902 0.038
-ATOM 16 CA ALA 9 16.815 -13.623 0.863 0.007
-ATOM 17 CB ALA 9 17.435 -13.406 1.171 0.089
-ATOM 18 CA ALA 10 17.299 -17.365 0.328 0.015
-ATOM 19 CB ALA 10 16.796 -17.507 -0.137 0.130
-ATOM 20 CA ALA 11 20.788 -18.906 0.885 0.023
-ATOM 21 CB ALA 11 21.097 -19.327 1.400 0.036
-ATOM 22 CA ALA 12 22.993 -19.738 -2.097 0.020
-ATOM 23 CB ALA 12 23.669 -19.270 -2.019 0.017
-ATOM 24 CA ALA 13 24.415 -23.261 -2.491 0.003
-ATOM 25 CB ALA 13 24.572 -23.610 -3.098 0.010
-ATOM 26 CA CYS 14 27.605 -24.710 -0.915 0.039
-ATOM 27 CB CYS 14 27.439 -24.379 0.267 0.002
-ATOM 28 CA ALA 15 29.346 -28.078 -1.453 0.065
-ATOM 29 CB ALA 15 29.713 -27.826 -1.982 0.009
-ATOM 30 CA ALA 16 30.569 -31.141 0.266 0.017
-ATOM 31 CB ALA 16 30.299 -31.694 -0.162 0.054
-ATOM 32 CA ALA 17 33.391 -32.046 2.621 0.015
-ATOM 33 CB ALA 17 33.389 -32.108 3.373 0.019
-ATOM 34 CA GLY 18 35.715 -34.950 3.138 0.000
+ATOM 1 CA GLY 1 23.601 -7.481 -6.907 0.037
+ATOM 2 CA ALA 2 20.931 -9.815 -5.707 0.017
+ATOM 3 CB ALA 2 21.368 -10.391 -5.407 0.097
+ATOM 4 CA ALA 3 17.579 -9.242 -4.021 0.016
+ATOM 5 CB ALA 3 16.993 -9.418 -4.335 0.007
+ATOM 6 CA ALA 4 17.091 -9.978 -0.331 0.035
+ATOM 7 CB ALA 4 16.884 -9.432 0.167 0.061
+ATOM 8 CA CYS 5 14.924 -12.807 0.859 0.018
+ATOM 9 CB CYS 5 15.734 -13.747 0.706 0.016
+ATOM 10 CA ALA 6 13.240 -12.605 4.297 0.033
+ATOM 11 CB ALA 6 12.911 -11.998 4.458 0.023
+ATOM 12 CA ALA 7 11.539 -15.978 4.056 0.011
+ATOM 13 CB ALA 7 10.830 -16.103 3.766 0.013
+ATOM 14 CA ALA 8 13.346 -19.270 3.503 0.015
+ATOM 15 CB ALA 8 13.665 -19.328 4.131 0.016
+ATOM 16 CA ALA 9 10.106 -21.107 2.815 0.010
+ATOM 17 CB ALA 9 9.451 -20.916 3.000 0.037
+ATOM 18 CA ALA 10 10.294 -20.509 -0.818 0.001
+ATOM 19 CB ALA 10 10.312 -19.703 -0.570 0.018
+ATOM 20 CA ALA 11 11.978 -23.164 -3.038 0.013
+ATOM 21 CB ALA 11 11.971 -23.362 -3.769 0.071
+ATOM 22 CA ALA 12 15.156 -21.089 -3.576 0.046
+ATOM 23 CB ALA 12 15.568 -20.585 -3.867 0.019
+ATOM 24 CA ALA 13 18.266 -20.086 -1.709 0.024
+ATOM 25 CB ALA 13 18.946 -20.403 -1.877 0.012
+ATOM 26 CA CYS 14 19.249 -16.404 -1.275 0.022
+ATOM 27 CB CYS 14 18.104 -16.042 -1.045 0.032
+ATOM 28 CA ALA 15 22.374 -14.613 0.020 0.015
+ATOM 29 CB ALA 15 22.760 -14.838 -0.503 0.080
+ATOM 30 CA ALA 16 23.113 -12.861 3.349 0.082
+ATOM 31 CB ALA 16 23.147 -13.424 3.993 0.196
+ATOM 32 CA ALA 17 24.948 -9.624 2.542 0.021
+ATOM 33 CB ALA 17 24.638 -9.012 2.381 0.115
+ATOM 34 CA GLY 18 26.821 -7.296 4.916 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1892.93 ENERGY -7.12620E+00
+REMARK time 2014.58 ENERGY -3.25430E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.585 1.975 -2.619 0.014
-ATOM 2 CA ALA 2 -1.212 -0.460 -0.899 0.020
-ATOM 3 CB ALA 2 -1.716 -0.908 -1.230 0.086
-ATOM 4 CA ALA 3 2.467 -0.333 0.122 0.022
-ATOM 5 CB ALA 3 2.841 0.022 0.710 0.073
-ATOM 6 CA ALA 4 5.298 -2.446 -1.667 0.053
-ATOM 7 CB ALA 4 5.883 -2.669 -2.182 0.091
-ATOM 8 CA CYS 5 7.484 -4.529 0.667 0.115
-ATOM 9 CB CYS 5 6.748 -4.692 1.629 0.019
-ATOM 10 CA ALA 6 10.724 -6.549 0.353 0.017
-ATOM 11 CB ALA 6 11.477 -6.570 0.499 0.053
-ATOM 12 CA ALA 7 11.194 -10.314 1.082 0.026
-ATOM 13 CB ALA 7 11.191 -10.879 0.605 0.069
-ATOM 14 CA ALA 8 14.648 -11.334 2.321 0.074
-ATOM 15 CB ALA 8 14.468 -11.703 2.871 0.060
-ATOM 16 CA ALA 9 17.376 -12.118 -0.199 0.018
-ATOM 17 CB ALA 9 18.022 -11.895 -0.343 0.049
-ATOM 18 CA ALA 10 18.359 -15.658 -1.306 0.016
-ATOM 19 CB ALA 10 18.685 -15.647 -1.989 0.043
-ATOM 20 CA ALA 11 19.995 -18.104 1.050 0.012
-ATOM 21 CB ALA 11 19.854 -18.819 1.282 0.091
-ATOM 22 CA ALA 12 23.185 -19.957 0.105 0.003
-ATOM 23 CB ALA 12 23.910 -19.942 0.340 0.032
-ATOM 24 CA ALA 13 23.673 -23.381 -1.495 0.012
-ATOM 25 CB ALA 13 23.425 -23.754 -2.036 0.121
-ATOM 26 CA CYS 14 27.025 -25.096 -0.699 0.005
-ATOM 27 CB CYS 14 26.985 -25.162 0.550 0.055
-ATOM 28 CA ALA 15 29.197 -27.658 -2.637 0.015
-ATOM 29 CB ALA 15 29.812 -27.740 -3.010 0.035
-ATOM 30 CA ALA 16 30.164 -30.590 -0.436 0.011
-ATOM 31 CB ALA 16 29.795 -31.108 -0.813 0.104
-ATOM 32 CA ALA 17 33.109 -30.869 1.985 0.042
-ATOM 33 CB ALA 17 32.963 -30.350 2.542 0.040
-ATOM 34 CA GLY 18 35.013 -33.942 3.023 0.000
+ATOM 1 CA GLY 1 21.931 -8.084 -8.738 0.021
+ATOM 2 CA ALA 2 20.474 -9.456 -5.539 0.077
+ATOM 3 CB ALA 2 20.656 -10.119 -5.319 0.161
+ATOM 4 CA ALA 3 18.381 -7.982 -2.692 0.024
+ATOM 5 CB ALA 3 17.681 -7.863 -2.836 0.066
+ATOM 6 CA ALA 4 17.432 -9.438 0.736 0.012
+ATOM 7 CB ALA 4 17.412 -8.839 1.198 0.160
+ATOM 8 CA CYS 5 14.984 -12.473 0.652 0.037
+ATOM 9 CB CYS 5 15.548 -13.550 0.329 0.058
+ATOM 10 CA ALA 6 12.726 -13.210 3.718 0.052
+ATOM 11 CB ALA 6 11.996 -13.063 3.968 0.079
+ATOM 12 CA ALA 7 10.513 -16.255 3.330 0.017
+ATOM 13 CB ALA 7 9.996 -16.128 2.974 0.059
+ATOM 14 CA ALA 8 12.190 -19.623 3.744 0.002
+ATOM 15 CB ALA 8 12.146 -19.422 4.423 0.037
+ATOM 16 CA ALA 9 9.293 -21.434 2.057 0.011
+ATOM 17 CB ALA 9 8.636 -21.100 1.969 0.049
+ATOM 18 CA ALA 10 10.536 -20.688 -1.409 0.014
+ATOM 19 CB ALA 10 10.568 -19.985 -1.097 0.034
+ATOM 20 CA ALA 11 12.206 -23.285 -3.592 0.007
+ATOM 21 CB ALA 11 11.872 -23.797 -4.140 0.011
+ATOM 22 CA ALA 12 15.692 -21.823 -3.211 0.005
+ATOM 23 CB ALA 12 15.871 -21.839 -3.896 0.003
+ATOM 24 CA ALA 13 17.651 -19.839 -0.604 0.020
+ATOM 25 CB ALA 13 18.128 -20.216 -0.256 0.021
+ATOM 26 CA CYS 14 19.525 -16.514 0.119 0.049
+ATOM 27 CB CYS 14 18.721 -15.598 -0.065 0.038
+ATOM 28 CA ALA 15 23.104 -15.523 0.895 0.045
+ATOM 29 CB ALA 15 23.605 -15.830 0.546 0.121
+ATOM 30 CA ALA 16 24.446 -12.729 3.158 0.007
+ATOM 31 CB ALA 16 24.834 -12.388 3.749 0.014
+ATOM 32 CA ALA 17 25.559 -9.462 1.598 0.037
+ATOM 33 CB ALA 17 25.013 -9.023 1.909 0.083
+ATOM 34 CA GLY 18 27.887 -6.503 2.046 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1921.74 ENERGY -5.66520E+00
+REMARK time 2039.83 ENERGY 9.11009E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.919 4.513 -3.676 0.004
-ATOM 2 CA ALA 2 -0.863 0.886 -2.988 0.036
-ATOM 3 CB ALA 2 -1.454 0.654 -3.458 0.115
-ATOM 4 CA ALA 3 2.136 -0.240 -0.899 0.073
-ATOM 5 CB ALA 3 2.407 -0.023 -0.243 0.105
-ATOM 6 CA ALA 4 3.599 -3.651 -0.389 0.021
-ATOM 7 CB ALA 4 4.021 -4.182 -0.773 0.043
-ATOM 8 CA CYS 5 5.529 -5.281 2.497 0.011
-ATOM 9 CB CYS 5 4.894 -6.417 2.627 0.034
-ATOM 10 CA ALA 6 9.311 -5.563 2.639 0.005
-ATOM 11 CB ALA 6 9.924 -5.446 3.092 0.045
-ATOM 12 CA ALA 7 11.649 -7.341 0.308 0.033
-ATOM 13 CB ALA 7 11.821 -7.186 -0.434 0.099
-ATOM 14 CA ALA 8 13.630 -10.603 0.790 0.003
-ATOM 15 CB ALA 8 12.981 -10.930 0.853 0.019
-ATOM 16 CA ALA 9 17.058 -12.148 -0.028 0.005
-ATOM 17 CB ALA 9 17.678 -11.666 0.043 0.143
-ATOM 18 CA ALA 10 18.533 -15.564 -0.557 0.032
-ATOM 19 CB ALA 10 18.324 -15.853 -1.157 0.015
-ATOM 20 CA ALA 11 21.777 -17.513 0.318 0.038
-ATOM 21 CB ALA 11 22.070 -17.653 1.018 0.104
-ATOM 22 CA ALA 12 23.622 -20.191 -1.721 0.011
-ATOM 23 CB ALA 12 24.374 -19.968 -1.785 0.053
-ATOM 24 CA ALA 13 24.210 -23.855 -0.890 0.040
-ATOM 25 CB ALA 13 23.737 -24.195 -1.328 0.015
-ATOM 26 CA CYS 14 27.153 -25.427 0.946 0.006
-ATOM 27 CB CYS 14 27.398 -24.984 2.025 0.016
-ATOM 28 CA ALA 15 29.019 -28.589 0.084 0.009
-ATOM 29 CB ALA 15 29.208 -28.531 -0.710 0.101
-ATOM 30 CA ALA 16 31.459 -31.455 0.866 0.004
-ATOM 31 CB ALA 16 30.821 -31.819 0.914 0.075
-ATOM 32 CA ALA 17 34.654 -32.652 -0.789 0.012
-ATOM 33 CB ALA 17 35.317 -32.367 -0.860 0.077
-ATOM 34 CA GLY 18 35.510 -36.368 -0.626 0.000
+ATOM 1 CA GLY 1 22.356 -4.723 -6.682 0.024
+ATOM 2 CA ALA 2 20.802 -7.789 -4.712 0.011
+ATOM 3 CB ALA 2 21.198 -8.387 -4.385 0.031
+ATOM 4 CA ALA 3 17.505 -8.443 -2.949 0.001
+ATOM 5 CB ALA 3 16.884 -8.451 -3.480 0.030
+ATOM 6 CA ALA 4 16.782 -10.489 0.120 0.027
+ATOM 7 CB ALA 4 16.761 -9.959 0.726 0.016
+ATOM 8 CA CYS 5 14.359 -13.385 0.621 0.039
+ATOM 9 CB CYS 5 15.318 -14.078 0.493 0.041
+ATOM 10 CA ALA 6 12.052 -13.097 3.628 0.133
+ATOM 11 CB ALA 6 11.541 -12.571 3.512 0.030
+ATOM 12 CA ALA 7 10.176 -16.220 2.658 0.030
+ATOM 13 CB ALA 7 9.425 -16.368 2.406 0.144
+ATOM 14 CA ALA 8 11.037 -19.794 3.788 0.025
+ATOM 15 CB ALA 8 11.510 -20.231 3.506 0.332
+ATOM 16 CA ALA 9 8.012 -21.221 1.915 0.062
+ATOM 17 CB ALA 9 7.321 -21.477 1.948 0.026
+ATOM 18 CA ALA 10 9.848 -21.003 -1.444 0.030
+ATOM 19 CB ALA 10 9.657 -20.347 -1.753 0.056
+ATOM 20 CA ALA 11 12.961 -23.084 -2.161 0.011
+ATOM 21 CB ALA 11 12.593 -23.617 -2.498 0.042
+ATOM 22 CA ALA 12 16.291 -21.487 -2.611 0.023
+ATOM 23 CB ALA 12 16.835 -21.147 -3.043 0.008
+ATOM 24 CA ALA 13 18.602 -20.322 0.237 0.004
+ATOM 25 CB ALA 13 19.173 -20.787 0.297 0.055
+ATOM 26 CA CYS 14 19.574 -16.679 0.595 0.003
+ATOM 27 CB CYS 14 18.709 -15.782 0.450 0.018
+ATOM 28 CA ALA 15 23.051 -15.161 1.045 0.004
+ATOM 29 CB ALA 15 23.602 -15.234 0.510 0.008
+ATOM 30 CA ALA 16 24.385 -11.616 1.795 0.013
+ATOM 31 CB ALA 16 24.442 -12.027 2.383 0.058
+ATOM 32 CA ALA 17 27.775 -10.414 0.554 0.006
+ATOM 33 CB ALA 17 28.106 -10.556 -0.058 0.068
+ATOM 34 CA GLY 18 29.179 -6.891 1.182 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1947.00 ENERGY -4.29989E+00
+REMARK time 2061.78 ENERGY 6.15814E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.949 2.637 -1.500 0.040
-ATOM 2 CA ALA 2 -0.250 2.135 -2.106 0.019
-ATOM 3 CB ALA 2 -0.204 2.851 -2.239 0.017
-ATOM 4 CA ALA 3 1.959 -0.939 -1.417 0.008
-ATOM 5 CB ALA 3 1.988 -1.079 -2.177 0.040
-ATOM 6 CA ALA 4 5.582 -1.723 -0.352 0.012
-ATOM 7 CB ALA 4 5.198 -1.361 0.118 0.057
-ATOM 8 CA CYS 5 6.466 -5.335 -0.895 0.029
-ATOM 9 CB CYS 5 5.595 -6.052 -1.546 0.023
-ATOM 10 CA ALA 6 9.188 -6.780 1.364 0.044
-ATOM 11 CB ALA 6 9.680 -6.825 1.949 0.105
-ATOM 12 CA ALA 7 10.594 -10.358 1.333 0.025
-ATOM 13 CB ALA 7 10.874 -10.764 0.780 0.036
-ATOM 14 CA ALA 8 13.798 -11.588 2.819 0.057
-ATOM 15 CB ALA 8 13.921 -11.759 3.459 0.156
-ATOM 16 CA ALA 9 16.739 -12.598 0.554 0.062
-ATOM 17 CB ALA 9 17.281 -12.156 0.348 0.173
-ATOM 18 CA ALA 10 18.250 -16.043 0.239 0.005
-ATOM 19 CB ALA 10 17.753 -16.443 -0.068 0.127
-ATOM 20 CA ALA 11 21.833 -17.034 0.705 0.024
-ATOM 21 CB ALA 11 22.232 -16.804 1.315 0.058
-ATOM 22 CA ALA 12 23.350 -20.224 -0.646 0.003
-ATOM 23 CB ALA 12 23.431 -19.882 -1.280 0.017
-ATOM 24 CA ALA 13 24.822 -22.939 1.562 0.000
-ATOM 25 CB ALA 13 24.296 -23.323 1.946 0.090
-ATOM 26 CA CYS 14 28.039 -24.899 0.998 0.002
-ATOM 27 CB CYS 14 29.061 -24.248 1.217 0.029
-ATOM 28 CA ALA 15 28.242 -28.396 -0.490 0.006
-ATOM 29 CB ALA 15 28.095 -28.994 -1.066 0.037
-ATOM 30 CA ALA 16 31.689 -29.865 -0.186 0.009
-ATOM 31 CB ALA 16 32.102 -29.894 0.479 0.050
-ATOM 32 CA ALA 17 32.501 -33.139 -2.033 0.043
-ATOM 33 CB ALA 17 32.285 -32.911 -2.722 0.088
-ATOM 34 CA GLY 18 35.028 -35.531 -0.522 0.000
+ATOM 1 CA GLY 1 22.456 -3.861 -6.211 0.004
+ATOM 2 CA ALA 2 21.452 -6.809 -3.964 0.041
+ATOM 3 CB ALA 2 22.045 -7.034 -3.676 0.020
+ATOM 4 CA ALA 3 17.786 -7.510 -3.041 0.007
+ATOM 5 CB ALA 3 17.538 -7.619 -3.714 0.015
+ATOM 6 CA ALA 4 16.019 -9.177 -0.227 0.018
+ATOM 7 CB ALA 4 15.473 -8.875 0.225 0.009
+ATOM 8 CA CYS 5 14.611 -12.745 0.076 0.027
+ATOM 9 CB CYS 5 15.792 -13.030 0.467 0.051
+ATOM 10 CA ALA 6 12.044 -13.373 2.844 0.013
+ATOM 11 CB ALA 6 11.874 -12.682 3.143 0.093
+ATOM 12 CA ALA 7 10.231 -16.697 2.833 0.019
+ATOM 13 CB ALA 7 10.045 -16.637 2.127 0.172
+ATOM 14 CA ALA 8 10.855 -20.233 3.823 0.022
+ATOM 15 CB ALA 8 10.874 -20.736 4.359 0.018
+ATOM 16 CA ALA 9 7.951 -21.645 1.902 0.003
+ATOM 17 CB ALA 9 7.242 -21.591 1.701 0.015
+ATOM 18 CA ALA 10 9.866 -22.117 -1.352 0.005
+ATOM 19 CB ALA 10 9.454 -21.567 -1.694 0.090
+ATOM 20 CA ALA 11 13.110 -24.082 -1.008 0.040
+ATOM 21 CB ALA 11 12.863 -24.789 -1.203 0.100
+ATOM 22 CA ALA 12 16.015 -21.965 -2.132 0.007
+ATOM 23 CB ALA 12 16.286 -21.766 -2.807 0.001
+ATOM 24 CA ALA 13 18.171 -20.114 0.352 0.014
+ATOM 25 CB ALA 13 18.786 -20.398 0.743 0.219
+ATOM 26 CA CYS 14 19.244 -16.511 -0.039 0.001
+ATOM 27 CB CYS 14 18.441 -15.546 0.337 0.016
+ATOM 28 CA ALA 15 22.741 -15.185 -0.029 0.009
+ATOM 29 CB ALA 15 22.979 -15.644 -0.553 0.061
+ATOM 30 CA ALA 16 24.814 -12.063 1.029 0.020
+ATOM 31 CB ALA 16 24.874 -12.210 1.769 0.046
+ATOM 32 CA ALA 17 28.323 -10.789 0.230 0.012
+ATOM 33 CB ALA 17 27.681 -10.343 0.013 0.126
+ATOM 34 CA GLY 18 29.525 -8.325 2.816 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1971.64 ENERGY -6.32243E+00
+REMARK time 2088.14 ENERGY -5.07189E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.041 3.090 1.305 0.015
-ATOM 2 CA ALA 2 -0.094 1.998 -1.796 0.008
-ATOM 3 CB ALA 2 0.443 2.235 -2.110 0.020
-ATOM 4 CA ALA 3 1.924 -1.182 -2.207 0.021
-ATOM 5 CB ALA 3 1.780 -1.810 -2.461 0.024
-ATOM 6 CA ALA 4 5.524 -1.764 -1.365 0.002
-ATOM 7 CB ALA 4 5.213 -1.397 -0.847 0.089
-ATOM 8 CA CYS 5 7.022 -5.277 -1.623 0.056
-ATOM 9 CB CYS 5 6.894 -5.624 -2.745 0.009
-ATOM 10 CA ALA 6 8.187 -7.481 1.267 0.083
-ATOM 11 CB ALA 6 8.002 -7.420 2.012 0.047
-ATOM 12 CA ALA 7 10.316 -10.356 0.149 0.079
-ATOM 13 CB ALA 7 10.554 -9.850 -0.368 0.169
-ATOM 14 CA ALA 8 13.837 -10.588 1.495 0.087
-ATOM 15 CB ALA 8 14.052 -10.731 2.182 0.122
-ATOM 16 CA ALA 9 15.341 -14.106 1.339 0.018
-ATOM 17 CB ALA 9 15.839 -14.197 0.700 0.021
-ATOM 18 CA ALA 10 17.983 -16.088 3.103 0.029
-ATOM 19 CB ALA 10 17.845 -16.801 3.338 0.046
-ATOM 20 CA ALA 11 21.234 -17.153 1.513 0.017
-ATOM 21 CB ALA 11 21.493 -16.476 1.478 0.040
-ATOM 22 CA ALA 12 22.912 -20.554 1.093 0.018
-ATOM 23 CB ALA 12 22.599 -20.945 0.508 0.033
-ATOM 24 CA ALA 13 26.351 -21.712 2.100 0.021
-ATOM 25 CB ALA 13 26.162 -21.803 2.778 0.162
-ATOM 26 CA CYS 14 28.472 -24.276 0.262 0.044
-ATOM 27 CB CYS 14 29.231 -23.677 -0.575 0.047
-ATOM 28 CA ALA 15 28.693 -28.082 0.509 0.014
-ATOM 29 CB ALA 15 28.053 -28.391 0.302 0.024
-ATOM 30 CA ALA 16 31.573 -30.532 -0.093 0.007
-ATOM 31 CB ALA 16 31.864 -30.692 0.566 0.068
-ATOM 32 CA ALA 17 32.452 -32.739 -3.044 0.010
-ATOM 33 CB ALA 17 33.008 -32.426 -3.366 0.028
-ATOM 34 CA GLY 18 33.577 -36.373 -2.922 0.000
+ATOM 1 CA GLY 1 22.883 -2.775 -5.057 0.017
+ATOM 2 CA ALA 2 21.209 -5.910 -3.826 0.012
+ATOM 3 CB ALA 2 21.579 -6.522 -3.460 0.007
+ATOM 4 CA ALA 3 17.821 -7.064 -2.509 0.007
+ATOM 5 CB ALA 3 17.451 -7.108 -3.192 0.019
+ATOM 6 CA ALA 4 17.331 -9.488 0.481 0.005
+ATOM 7 CB ALA 4 17.596 -9.393 1.146 0.079
+ATOM 8 CA CYS 5 14.872 -12.383 0.465 0.003
+ATOM 9 CB CYS 5 15.766 -13.322 0.497 0.048
+ATOM 10 CA ALA 6 11.237 -12.474 1.613 0.014
+ATOM 11 CB ALA 6 10.924 -11.888 1.300 0.091
+ATOM 12 CA ALA 7 10.195 -16.079 1.009 0.075
+ATOM 13 CB ALA 7 10.705 -15.820 0.487 0.009
+ATOM 14 CA ALA 8 11.720 -18.605 3.376 0.012
+ATOM 15 CB ALA 8 11.836 -18.038 3.951 0.060
+ATOM 16 CA ALA 9 8.922 -21.227 3.210 0.010
+ATOM 17 CB ALA 9 8.264 -21.222 3.568 0.119
+ATOM 18 CA ALA 10 10.419 -22.940 0.153 0.026
+ATOM 19 CB ALA 10 10.467 -22.465 -0.476 0.145
+ATOM 20 CA ALA 11 13.737 -24.772 0.285 0.004
+ATOM 21 CB ALA 11 13.702 -25.507 0.384 0.058
+ATOM 22 CA ALA 12 16.013 -23.188 -2.210 0.017
+ATOM 23 CB ALA 12 15.426 -23.393 -2.704 0.035
+ATOM 24 CA ALA 13 18.805 -20.691 -1.361 0.016
+ATOM 25 CB ALA 13 19.437 -21.144 -1.462 0.012
+ATOM 26 CA CYS 14 18.774 -16.923 -1.207 0.022
+ATOM 27 CB CYS 14 17.689 -16.351 -0.684 0.077
+ATOM 28 CA ALA 15 22.143 -15.291 -0.892 0.013
+ATOM 29 CB ALA 15 22.503 -14.810 -1.338 0.036
+ATOM 30 CA ALA 16 23.493 -12.605 1.452 0.020
+ATOM 31 CB ALA 16 23.470 -12.569 2.185 0.250
+ATOM 32 CA ALA 17 26.489 -10.301 0.795 0.003
+ATOM 33 CB ALA 17 26.183 -9.643 0.726 0.111
+ATOM 34 CA GLY 18 29.253 -10.762 3.330 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 1997.35 ENERGY -3.92399E+00
+REMARK time 2113.93 ENERGY -1.73005E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.581 4.256 -3.003 0.004
-ATOM 2 CA ALA 2 0.555 0.711 -2.294 0.027
-ATOM 3 CB ALA 2 1.024 0.200 -2.333 0.191
-ATOM 4 CA ALA 3 1.938 -1.486 0.500 0.062
-ATOM 5 CB ALA 3 1.849 -1.995 0.997 0.002
-ATOM 6 CA ALA 4 5.746 -1.793 0.457 0.009
-ATOM 7 CB ALA 4 6.266 -1.450 0.946 0.018
-ATOM 8 CA CYS 5 6.868 -5.110 -0.869 0.099
-ATOM 9 CB CYS 5 6.145 -5.230 -1.863 0.083
-ATOM 10 CA ALA 6 10.033 -7.199 -0.519 0.012
-ATOM 11 CB ALA 6 10.134 -7.655 0.127 0.081
-ATOM 12 CA ALA 7 10.871 -10.389 -2.223 0.055
-ATOM 13 CB ALA 7 10.844 -10.291 -2.927 0.078
-ATOM 14 CA ALA 8 13.795 -12.348 -0.932 0.106
-ATOM 15 CB ALA 8 14.198 -11.996 -1.511 0.137
-ATOM 16 CA ALA 9 14.671 -14.213 2.237 0.092
-ATOM 17 CB ALA 9 14.530 -14.882 1.998 0.053
-ATOM 18 CA ALA 10 17.851 -15.629 3.718 0.022
-ATOM 19 CB ALA 10 17.998 -15.772 4.408 0.029
-ATOM 20 CA ALA 11 20.192 -17.872 1.912 0.038
-ATOM 21 CB ALA 11 20.460 -17.288 1.518 0.032
-ATOM 22 CA ALA 12 22.489 -20.614 3.236 0.020
-ATOM 23 CB ALA 12 22.152 -21.270 3.186 0.157
-ATOM 24 CA ALA 13 26.244 -21.368 3.021 0.021
-ATOM 25 CB ALA 13 26.585 -21.374 3.717 0.045
-ATOM 26 CA CYS 14 27.852 -23.863 0.594 0.007
-ATOM 27 CB CYS 14 27.843 -23.678 -0.601 0.009
-ATOM 28 CA ALA 15 29.443 -27.290 0.704 0.007
-ATOM 29 CB ALA 15 28.906 -27.548 1.099 0.034
-ATOM 30 CA ALA 16 32.002 -29.366 -1.160 0.017
-ATOM 31 CB ALA 16 32.515 -29.646 -0.734 0.067
-ATOM 32 CA ALA 17 31.576 -32.422 -3.374 0.011
-ATOM 33 CB ALA 17 31.843 -32.311 -4.069 0.134
-ATOM 34 CA GLY 18 33.296 -35.726 -4.184 0.000
+ATOM 1 CA GLY 1 21.902 -1.960 -3.363 0.009
+ATOM 2 CA ALA 2 21.816 -5.729 -2.626 0.033
+ATOM 3 CB ALA 2 22.318 -5.609 -2.169 0.019
+ATOM 4 CA ALA 3 18.303 -7.077 -2.100 0.006
+ATOM 5 CB ALA 3 17.938 -6.855 -2.732 0.020
+ATOM 6 CA ALA 4 16.904 -9.566 0.466 0.027
+ATOM 7 CB ALA 4 16.667 -9.231 1.226 0.051
+ATOM 8 CA CYS 5 15.344 -13.030 0.025 0.001
+ATOM 9 CB CYS 5 16.080 -13.994 -0.113 0.002
+ATOM 10 CA ALA 6 11.796 -12.972 1.375 0.009
+ATOM 11 CB ALA 6 11.053 -12.953 1.288 0.080
+ATOM 12 CA ALA 7 11.004 -16.263 -0.323 0.017
+ATOM 13 CB ALA 7 11.222 -16.448 -1.064 0.149
+ATOM 14 CA ALA 8 13.421 -17.958 2.051 0.014
+ATOM 15 CB ALA 8 13.867 -17.413 2.395 0.061
+ATOM 16 CA ALA 9 10.597 -19.408 4.140 0.015
+ATOM 17 CB ALA 9 10.276 -18.866 4.470 0.022
+ATOM 18 CA ALA 10 10.105 -22.349 1.830 0.044
+ATOM 19 CB ALA 10 9.783 -22.156 1.128 0.098
+ATOM 20 CA ALA 11 12.883 -24.695 0.530 0.071
+ATOM 21 CB ALA 11 12.376 -25.246 0.783 0.043
+ATOM 22 CA ALA 12 15.297 -23.323 -2.072 0.054
+ATOM 23 CB ALA 12 14.971 -23.090 -2.644 0.033
+ATOM 24 CA ALA 13 18.166 -21.241 -0.763 0.024
+ATOM 25 CB ALA 13 18.677 -21.703 -0.914 0.086
+ATOM 26 CA CYS 14 18.976 -17.715 -1.700 0.038
+ATOM 27 CB CYS 14 18.255 -16.913 -1.138 0.103
+ATOM 28 CA ALA 15 22.221 -15.760 -2.088 0.006
+ATOM 29 CB ALA 15 22.190 -15.288 -2.601 0.064
+ATOM 30 CA ALA 16 24.006 -14.007 0.648 0.060
+ATOM 31 CB ALA 16 24.686 -14.240 0.517 0.143
+ATOM 32 CA ALA 17 24.959 -10.415 1.384 0.024
+ATOM 33 CB ALA 17 24.493 -10.413 0.773 0.023
+ATOM 34 CA GLY 18 24.832 -7.632 3.995 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2018.44 ENERGY 2.00915E+00
+REMARK time 2139.38 ENERGY -6.20198E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.288 4.146 -2.356 0.009
-ATOM 2 CA ALA 2 0.463 0.764 -2.362 0.015
-ATOM 3 CB ALA 2 0.315 0.444 -3.049 0.087
-ATOM 4 CA ALA 3 3.386 -0.376 -0.288 0.005
-ATOM 5 CB ALA 3 2.985 -0.285 0.328 0.054
-ATOM 6 CA ALA 4 6.291 -2.726 -0.590 0.047
-ATOM 7 CB ALA 4 6.852 -2.251 -0.241 0.074
-ATOM 8 CA CYS 5 6.570 -6.122 0.879 0.010
-ATOM 9 CB CYS 5 6.007 -7.056 0.316 0.014
-ATOM 10 CA ALA 6 10.117 -7.477 0.950 0.050
-ATOM 11 CB ALA 6 10.606 -7.599 1.542 0.038
-ATOM 12 CA ALA 7 11.396 -9.744 -1.842 0.052
-ATOM 13 CB ALA 7 11.334 -9.426 -2.592 0.056
-ATOM 14 CA ALA 8 14.617 -11.872 -1.976 0.014
-ATOM 15 CB ALA 8 14.837 -11.177 -1.605 0.055
-ATOM 16 CA ALA 9 14.608 -15.446 -0.567 0.026
-ATOM 17 CB ALA 9 14.280 -15.794 -1.111 0.089
-ATOM 18 CA ALA 10 17.580 -15.826 1.789 0.017
-ATOM 19 CB ALA 10 17.511 -15.792 2.536 0.049
-ATOM 20 CA ALA 11 20.631 -18.093 1.686 0.017
-ATOM 21 CB ALA 11 20.940 -17.810 0.987 0.009
-ATOM 22 CA ALA 12 22.405 -20.122 4.289 0.001
-ATOM 23 CB ALA 12 22.335 -20.872 4.499 0.084
-ATOM 24 CA ALA 13 25.821 -21.575 3.568 0.001
-ATOM 25 CB ALA 13 26.225 -21.127 3.985 0.216
-ATOM 26 CA CYS 14 26.832 -24.773 2.030 0.015
-ATOM 27 CB CYS 14 26.377 -24.716 0.945 0.071
-ATOM 28 CA ALA 15 29.886 -26.736 0.858 0.011
-ATOM 29 CB ALA 15 29.748 -27.315 1.261 0.118
-ATOM 30 CA ALA 16 31.269 -28.307 -2.201 0.008
-ATOM 31 CB ALA 16 31.963 -28.195 -2.257 0.011
-ATOM 32 CA ALA 17 31.862 -32.038 -2.602 0.012
-ATOM 33 CB ALA 17 31.088 -32.116 -2.534 0.017
-ATOM 34 CA GLY 18 33.367 -33.716 -5.656 0.000
+ATOM 1 CA GLY 1 22.584 -1.277 -1.161 0.010
+ATOM 2 CA ALA 2 21.557 -4.840 -2.134 0.006
+ATOM 3 CB ALA 2 21.902 -5.431 -2.079 0.047
+ATOM 4 CA ALA 3 18.118 -6.587 -2.248 0.062
+ATOM 5 CB ALA 3 17.876 -6.552 -2.963 0.025
+ATOM 6 CA ALA 4 17.451 -9.628 -0.030 0.014
+ATOM 7 CB ALA 4 17.562 -9.557 0.672 0.024
+ATOM 8 CA CYS 5 15.480 -12.915 -0.301 0.071
+ATOM 9 CB CYS 5 16.093 -14.029 -0.538 0.025
+ATOM 10 CA ALA 6 12.098 -13.502 1.357 0.005
+ATOM 11 CB ALA 6 11.663 -13.021 0.966 0.091
+ATOM 12 CA ALA 7 12.116 -16.836 -0.481 0.016
+ATOM 13 CB ALA 7 12.381 -17.046 -1.124 0.042
+ATOM 14 CA ALA 8 13.773 -18.547 2.517 0.015
+ATOM 15 CB ALA 8 14.354 -18.149 2.440 0.064
+ATOM 16 CA ALA 9 10.336 -19.383 3.891 0.013
+ATOM 17 CB ALA 9 9.697 -18.949 3.696 0.048
+ATOM 18 CA ALA 10 9.730 -22.303 1.522 0.020
+ATOM 19 CB ALA 10 9.511 -22.114 0.862 0.270
+ATOM 20 CA ALA 11 12.768 -24.465 1.270 0.019
+ATOM 21 CB ALA 11 12.292 -24.988 1.466 0.005
+ATOM 22 CA ALA 12 15.230 -23.838 -1.525 0.041
+ATOM 23 CB ALA 12 15.249 -23.165 -1.151 0.237
+ATOM 24 CA ALA 13 18.369 -21.728 -1.227 0.073
+ATOM 25 CB ALA 13 18.961 -22.054 -1.506 0.066
+ATOM 26 CA CYS 14 18.695 -18.003 -1.853 0.028
+ATOM 27 CB CYS 14 17.818 -17.255 -1.392 0.078
+ATOM 28 CA ALA 15 21.467 -15.436 -1.453 0.017
+ATOM 29 CB ALA 15 21.611 -15.094 -2.120 0.041
+ATOM 30 CA ALA 16 22.175 -12.682 1.069 0.026
+ATOM 31 CB ALA 16 22.096 -12.704 1.792 0.051
+ATOM 32 CA ALA 17 24.397 -9.567 0.753 0.043
+ATOM 33 CB ALA 17 24.479 -8.970 1.155 0.067
+ATOM 34 CA GLY 18 28.024 -10.558 1.193 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2039.27 ENERGY -3.76324E+00
+REMARK time 2168.02 ENERGY -5.82042E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.231 4.863 -2.791 0.024
-ATOM 2 CA ALA 2 -0.474 1.583 -1.048 0.034
-ATOM 3 CB ALA 2 -0.449 1.079 -1.519 0.053
-ATOM 4 CA ALA 3 2.741 0.239 0.426 0.108
-ATOM 5 CB ALA 3 2.776 0.217 1.158 0.110
-ATOM 6 CA ALA 4 4.505 -2.789 -0.919 0.022
-ATOM 7 CB ALA 4 4.980 -2.553 -1.518 0.148
-ATOM 8 CA CYS 5 7.237 -5.138 0.480 0.043
-ATOM 9 CB CYS 5 6.341 -6.011 0.729 0.008
-ATOM 10 CA ALA 6 10.397 -6.614 -0.903 0.007
-ATOM 11 CB ALA 6 10.970 -6.195 -1.142 0.089
-ATOM 12 CA ALA 7 11.373 -10.269 -1.518 0.003
-ATOM 13 CB ALA 7 10.898 -10.730 -1.817 0.085
-ATOM 14 CA ALA 8 14.793 -11.731 -2.278 0.015
-ATOM 15 CB ALA 8 15.459 -11.786 -2.324 0.064
-ATOM 16 CA ALA 9 15.031 -15.366 -0.947 0.020
-ATOM 17 CB ALA 9 14.851 -15.695 -1.497 0.084
-ATOM 18 CA ALA 10 17.377 -16.508 1.793 0.035
-ATOM 19 CB ALA 10 17.526 -16.558 2.556 0.117
-ATOM 20 CA ALA 11 20.329 -18.937 1.608 0.005
-ATOM 21 CB ALA 11 20.687 -19.112 1.019 0.011
-ATOM 22 CA ALA 12 22.806 -20.579 4.074 0.030
-ATOM 23 CB ALA 12 22.189 -20.725 4.368 0.039
-ATOM 24 CA ALA 13 26.221 -21.946 3.054 0.012
-ATOM 25 CB ALA 13 26.509 -21.287 3.289 0.030
-ATOM 26 CA CYS 14 26.951 -25.626 2.687 0.008
-ATOM 27 CB CYS 14 26.136 -25.705 1.734 0.029
-ATOM 28 CA ALA 15 30.445 -27.010 1.814 0.006
-ATOM 29 CB ALA 15 30.526 -27.136 2.455 0.064
-ATOM 30 CA ALA 16 31.354 -28.495 -1.559 0.019
-ATOM 31 CB ALA 16 31.727 -28.302 -2.103 0.029
-ATOM 32 CA ALA 17 32.320 -31.926 -2.875 0.022
-ATOM 33 CB ALA 17 31.927 -32.464 -2.686 0.034
-ATOM 34 CA GLY 18 33.903 -32.224 -6.348 0.000
+ATOM 1 CA GLY 1 20.928 -1.102 -1.119 0.036
+ATOM 2 CA ALA 2 21.216 -4.808 -1.911 0.048
+ATOM 3 CB ALA 2 21.606 -5.067 -1.396 0.025
+ATOM 4 CA ALA 3 18.179 -6.954 -1.543 0.035
+ATOM 5 CB ALA 3 17.807 -7.511 -1.885 0.185
+ATOM 6 CA ALA 4 17.264 -10.043 0.547 0.030
+ATOM 7 CB ALA 4 17.371 -9.778 1.191 0.011
+ATOM 8 CA CYS 5 14.982 -12.997 -0.226 0.040
+ATOM 9 CB CYS 5 15.406 -14.067 -0.454 0.010
+ATOM 10 CA ALA 6 11.271 -12.746 0.706 0.018
+ATOM 11 CB ALA 6 10.994 -12.106 0.550 0.082
+ATOM 12 CA ALA 7 10.613 -16.271 -0.550 0.015
+ATOM 13 CB ALA 7 10.789 -16.030 -1.186 0.035
+ATOM 14 CA ALA 8 12.089 -17.671 2.671 0.013
+ATOM 15 CB ALA 8 12.075 -17.372 3.284 0.051
+ATOM 16 CA ALA 9 8.991 -19.765 3.219 0.036
+ATOM 17 CB ALA 9 8.422 -19.221 3.505 0.027
+ATOM 18 CA ALA 10 10.249 -22.434 0.759 0.045
+ATOM 19 CB ALA 10 10.418 -22.942 0.195 0.013
+ATOM 20 CA ALA 11 13.381 -24.434 1.503 0.013
+ATOM 21 CB ALA 11 12.992 -24.872 1.861 0.222
+ATOM 22 CA ALA 12 16.381 -23.679 -0.836 0.011
+ATOM 23 CB ALA 12 16.339 -24.098 -1.501 0.119
+ATOM 24 CA ALA 13 18.906 -21.004 -0.259 0.018
+ATOM 25 CB ALA 13 19.576 -21.307 -0.271 0.030
+ATOM 26 CA CYS 14 18.533 -17.515 -1.561 0.016
+ATOM 27 CB CYS 14 17.580 -16.973 -0.986 0.010
+ATOM 28 CA ALA 15 21.874 -15.847 -1.721 0.003
+ATOM 29 CB ALA 15 22.353 -15.818 -2.321 0.007
+ATOM 30 CA ALA 16 24.064 -13.320 0.240 0.030
+ATOM 31 CB ALA 16 24.571 -13.602 0.708 0.009
+ATOM 32 CA ALA 17 26.599 -10.637 -0.857 0.014
+ATOM 33 CB ALA 17 26.399 -10.393 -1.521 0.032
+ATOM 34 CA GLY 18 28.565 -9.467 2.188 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2066.56 ENERGY -1.20625E+01
+REMARK time 2193.42 ENERGY 1.74202E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.335 5.581 0.851 0.050
-ATOM 2 CA ALA 2 -0.644 2.299 0.299 0.023
-ATOM 3 CB ALA 2 -0.863 1.622 0.264 0.138
-ATOM 4 CA ALA 3 2.462 0.929 -1.504 0.026
-ATOM 5 CB ALA 3 3.042 0.947 -1.870 0.173
-ATOM 6 CA ALA 4 3.621 -2.672 -1.127 0.041
-ATOM 7 CB ALA 4 2.948 -2.901 -1.470 0.007
-ATOM 8 CA CYS 5 7.088 -4.181 -1.347 0.038
-ATOM 9 CB CYS 5 7.718 -4.134 -0.304 0.095
-ATOM 10 CA ALA 6 8.283 -7.688 -1.899 0.025
-ATOM 11 CB ALA 6 8.429 -8.173 -2.307 0.017
-ATOM 12 CA ALA 7 11.701 -8.978 -0.690 0.018
-ATOM 13 CB ALA 7 11.947 -8.617 -0.128 0.026
-ATOM 14 CA ALA 8 13.322 -12.406 -1.239 0.015
-ATOM 15 CB ALA 8 13.628 -12.148 -1.840 0.079
-ATOM 16 CA ALA 9 15.298 -14.532 1.283 0.003
-ATOM 17 CB ALA 9 14.974 -15.168 1.416 0.033
-ATOM 18 CA ALA 10 18.926 -15.672 0.945 0.022
-ATOM 19 CB ALA 10 19.662 -15.380 1.010 0.037
-ATOM 20 CA ALA 11 20.174 -19.323 0.654 0.030
-ATOM 21 CB ALA 11 20.393 -19.199 -0.120 0.011
-ATOM 22 CA ALA 12 22.087 -21.619 2.961 0.093
-ATOM 23 CB ALA 12 21.955 -22.328 3.246 0.076
-ATOM 24 CA ALA 13 25.503 -23.230 3.236 0.056
-ATOM 25 CB ALA 13 25.767 -23.257 3.937 0.117
-ATOM 26 CA CYS 14 27.080 -25.996 1.193 0.012
-ATOM 27 CB CYS 14 27.227 -25.521 0.057 0.080
-ATOM 28 CA ALA 15 29.781 -28.467 2.221 0.008
-ATOM 29 CB ALA 15 29.625 -29.139 2.535 0.049
-ATOM 30 CA ALA 16 32.908 -28.946 0.097 0.009
-ATOM 31 CB ALA 16 33.609 -28.748 0.328 0.034
-ATOM 32 CA ALA 17 33.217 -31.626 -2.654 0.008
-ATOM 33 CB ALA 17 32.834 -31.644 -3.373 0.021
-ATOM 34 CA GLY 18 36.122 -32.887 -4.817 0.000
+ATOM 1 CA GLY 1 22.107 -1.285 -0.531 0.039
+ATOM 2 CA ALA 2 21.445 -4.969 -1.247 0.022
+ATOM 3 CB ALA 2 22.040 -5.352 -1.254 0.084
+ATOM 4 CA ALA 3 18.329 -7.094 -1.488 0.023
+ATOM 5 CB ALA 3 18.169 -6.967 -2.198 0.021
+ATOM 6 CA ALA 4 17.255 -10.052 0.610 0.029
+ATOM 7 CB ALA 4 16.871 -9.642 1.002 0.069
+ATOM 8 CA CYS 5 14.819 -12.877 -0.089 0.005
+ATOM 9 CB CYS 5 15.677 -13.778 -0.088 0.026
+ATOM 10 CA ALA 6 11.125 -13.465 0.556 0.005
+ATOM 11 CB ALA 6 10.780 -12.769 0.858 0.043
+ATOM 12 CA ALA 7 11.126 -17.020 -0.872 0.016
+ATOM 13 CB ALA 7 11.334 -16.725 -1.604 0.034
+ATOM 14 CA ALA 8 11.830 -18.517 2.627 0.037
+ATOM 15 CB ALA 8 12.140 -18.011 3.164 0.092
+ATOM 16 CA ALA 9 8.390 -20.014 2.598 0.048
+ATOM 17 CB ALA 9 7.743 -20.110 2.743 0.146
+ATOM 18 CA ALA 10 9.467 -23.053 0.641 0.026
+ATOM 19 CB ALA 10 9.942 -22.604 0.252 0.063
+ATOM 20 CA ALA 11 12.985 -24.229 1.651 0.020
+ATOM 21 CB ALA 11 13.142 -24.861 2.003 0.002
+ATOM 22 CA ALA 12 16.041 -23.416 -0.553 0.009
+ATOM 23 CB ALA 12 15.897 -23.442 -1.259 0.039
+ATOM 24 CA ALA 13 18.438 -20.547 0.367 0.056
+ATOM 25 CB ALA 13 18.981 -20.600 0.836 0.019
+ATOM 26 CA CYS 14 19.041 -17.240 -1.276 0.021
+ATOM 27 CB CYS 14 18.064 -16.658 -0.732 0.041
+ATOM 28 CA ALA 15 22.498 -15.738 -1.601 0.034
+ATOM 29 CB ALA 15 22.962 -15.492 -2.208 0.023
+ATOM 30 CA ALA 16 23.861 -12.907 0.398 0.035
+ATOM 31 CB ALA 16 24.407 -12.770 0.874 0.108
+ATOM 32 CA ALA 17 25.973 -9.997 -1.079 0.008
+ATOM 33 CB ALA 17 25.657 -9.336 -1.200 0.074
+ATOM 34 CA GLY 18 29.819 -10.198 -1.345 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2088.74 ENERGY -7.98345E+00
+REMARK time 2223.42 ENERGY 1.46561E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.527 5.067 1.481 0.054
-ATOM 2 CA ALA 2 0.797 2.963 -0.678 0.015
-ATOM 3 CB ALA 2 1.258 3.544 -0.910 0.153
-ATOM 4 CA ALA 3 1.061 -0.739 -1.024 0.023
-ATOM 5 CB ALA 3 0.964 -0.950 -1.714 0.039
-ATOM 6 CA ALA 4 4.118 -2.892 -0.056 0.000
-ATOM 7 CB ALA 4 3.538 -3.287 0.231 0.061
-ATOM 8 CA CYS 5 7.194 -4.511 -1.602 0.034
-ATOM 9 CB CYS 5 8.233 -4.371 -0.986 0.012
-ATOM 10 CA ALA 6 8.204 -8.062 -2.334 0.020
-ATOM 11 CB ALA 6 8.037 -8.205 -3.078 0.115
-ATOM 12 CA ALA 7 11.134 -8.620 -0.104 0.040
-ATOM 13 CB ALA 7 10.878 -8.887 0.423 0.016
-ATOM 14 CA ALA 8 14.242 -10.774 0.310 0.041
-ATOM 15 CB ALA 8 14.774 -10.294 0.477 0.134
-ATOM 16 CA ALA 9 14.699 -14.391 1.246 0.038
-ATOM 17 CB ALA 9 14.559 -14.930 0.786 0.063
-ATOM 18 CA ALA 10 18.116 -15.916 1.834 0.021
-ATOM 19 CB ALA 10 18.259 -15.995 2.588 0.050
-ATOM 20 CA ALA 11 20.176 -18.631 0.126 0.023
-ATOM 21 CB ALA 11 20.466 -17.999 0.003 0.019
-ATOM 22 CA ALA 12 21.502 -21.695 1.953 0.038
-ATOM 23 CB ALA 12 21.245 -22.390 1.717 0.039
-ATOM 24 CA ALA 13 25.008 -23.227 1.762 0.026
-ATOM 25 CB ALA 13 25.235 -23.005 2.396 0.048
-ATOM 26 CA CYS 14 26.600 -26.337 0.059 0.027
-ATOM 27 CB CYS 14 27.146 -25.801 -0.942 0.060
-ATOM 28 CA ALA 15 29.584 -28.297 1.330 0.019
-ATOM 29 CB ALA 15 29.474 -28.681 1.974 0.142
-ATOM 30 CA ALA 16 32.927 -28.653 -0.408 0.008
-ATOM 31 CB ALA 16 33.541 -28.366 -0.345 0.128
-ATOM 32 CA ALA 17 34.146 -32.091 -1.630 0.010
-ATOM 33 CB ALA 17 33.982 -32.368 -2.259 0.019
-ATOM 34 CA GLY 18 37.539 -33.624 -1.181 0.000
+ATOM 1 CA GLY 1 22.929 -1.735 -1.004 0.002
+ATOM 2 CA ALA 2 21.253 -5.131 -1.361 0.084
+ATOM 3 CB ALA 2 21.808 -5.523 -1.272 0.114
+ATOM 4 CA ALA 3 17.896 -6.347 -0.050 0.006
+ATOM 5 CB ALA 3 17.326 -6.271 -0.482 0.016
+ATOM 6 CA ALA 4 17.369 -9.797 1.504 0.002
+ATOM 7 CB ALA 4 17.387 -9.552 2.259 0.032
+ATOM 8 CA CYS 5 15.574 -12.529 -0.443 0.013
+ATOM 9 CB CYS 5 15.946 -13.701 -0.649 0.115
+ATOM 10 CA ALA 6 11.787 -12.484 -0.425 0.019
+ATOM 11 CB ALA 6 11.511 -11.783 -0.350 0.066
+ATOM 12 CA ALA 7 10.522 -15.870 -1.245 0.007
+ATOM 13 CB ALA 7 10.484 -16.150 -1.977 0.211
+ATOM 14 CA ALA 8 12.048 -17.440 1.872 0.018
+ATOM 15 CB ALA 8 12.102 -17.065 2.415 0.064
+ATOM 16 CA ALA 9 9.787 -20.172 3.122 0.013
+ATOM 17 CB ALA 9 9.042 -20.093 2.911 0.074
+ATOM 18 CA ALA 10 10.497 -22.722 0.399 0.012
+ATOM 19 CB ALA 10 10.261 -22.697 -0.186 0.006
+ATOM 20 CA ALA 11 13.234 -25.094 1.602 0.003
+ATOM 21 CB ALA 11 12.700 -25.585 1.638 0.092
+ATOM 22 CA ALA 12 16.789 -24.498 0.314 0.004
+ATOM 23 CB ALA 12 17.086 -24.716 -0.378 0.011
+ATOM 24 CA ALA 13 18.201 -20.942 0.986 0.017
+ATOM 25 CB ALA 13 18.878 -21.040 1.210 0.165
+ATOM 26 CA CYS 14 18.174 -17.885 -1.238 0.023
+ATOM 27 CB CYS 14 17.529 -17.009 -0.701 0.029
+ATOM 28 CA ALA 15 21.540 -16.046 -1.700 0.023
+ATOM 29 CB ALA 15 22.249 -15.909 -1.955 0.033
+ATOM 30 CA ALA 16 23.330 -13.168 0.097 0.003
+ATOM 31 CB ALA 16 23.669 -12.869 0.735 0.018
+ATOM 32 CA ALA 17 25.898 -10.991 -1.688 0.004
+ATOM 33 CB ALA 17 25.700 -11.337 -2.260 0.026
+ATOM 34 CA GLY 18 27.782 -7.809 -0.835 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2108.51 ENERGY -7.77148E+00
+REMARK time 2247.41 ENERGY 8.85097E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.063 5.838 -0.274 0.033
-ATOM 2 CA ALA 2 1.456 2.997 -0.367 0.066
-ATOM 3 CB ALA 2 2.025 2.859 0.047 0.097
-ATOM 4 CA ALA 3 0.953 -0.633 -1.375 0.015
-ATOM 5 CB ALA 3 0.362 -0.740 -1.875 0.076
-ATOM 6 CA ALA 4 3.535 -3.049 0.125 0.012
-ATOM 7 CB ALA 4 3.143 -3.443 0.625 0.011
-ATOM 8 CA CYS 5 6.435 -4.956 -1.475 0.018
-ATOM 9 CB CYS 5 7.405 -4.200 -1.692 0.077
-ATOM 10 CA ALA 6 8.537 -8.074 -0.631 0.012
-ATOM 11 CB ALA 6 8.321 -8.673 -1.052 0.014
-ATOM 12 CA ALA 7 11.863 -8.280 1.169 0.024
-ATOM 13 CB ALA 7 12.049 -8.178 1.884 0.013
-ATOM 14 CA ALA 8 14.456 -10.622 -0.348 0.024
-ATOM 15 CB ALA 8 15.112 -10.216 -0.588 0.112
-ATOM 16 CA ALA 9 14.589 -14.426 0.303 0.015
-ATOM 17 CB ALA 9 14.510 -14.796 -0.328 0.188
-ATOM 18 CA ALA 10 16.819 -16.683 2.429 0.019
-ATOM 19 CB ALA 10 16.791 -17.311 2.786 0.088
-ATOM 20 CA ALA 11 20.158 -18.132 1.605 0.006
-ATOM 21 CB ALA 11 20.580 -17.612 1.844 0.039
-ATOM 22 CA ALA 12 22.016 -21.221 0.548 0.003
-ATOM 23 CB ALA 12 21.850 -21.870 0.199 0.068
-ATOM 24 CA ALA 13 25.273 -23.035 0.677 0.009
-ATOM 25 CB ALA 13 24.891 -23.128 1.313 0.050
-ATOM 26 CA CYS 14 26.445 -26.223 -0.926 0.010
-ATOM 27 CB CYS 14 27.345 -25.797 -1.749 0.006
-ATOM 28 CA ALA 15 29.415 -28.131 0.570 0.044
-ATOM 29 CB ALA 15 28.960 -28.506 1.008 0.102
-ATOM 30 CA ALA 16 32.843 -29.115 -0.804 0.003
-ATOM 31 CB ALA 16 33.352 -28.620 -0.803 0.015
-ATOM 32 CA ALA 17 34.651 -32.358 -0.267 0.032
-ATOM 33 CB ALA 17 34.398 -32.851 -0.738 0.062
-ATOM 34 CA GLY 18 38.097 -33.601 0.941 0.000
+ATOM 1 CA GLY 1 21.713 -0.210 -0.633 0.002
+ATOM 2 CA ALA 2 21.914 -3.861 -1.433 0.025
+ATOM 3 CB ALA 2 22.517 -4.318 -1.490 0.046
+ATOM 4 CA ALA 3 18.799 -5.974 -0.910 0.002
+ATOM 5 CB ALA 3 18.386 -6.091 -1.545 0.015
+ATOM 6 CA ALA 4 18.759 -9.510 0.579 0.021
+ATOM 7 CB ALA 4 18.710 -9.374 1.237 0.062
+ATOM 8 CA CYS 5 16.179 -12.217 -0.431 0.010
+ATOM 9 CB CYS 5 16.572 -13.307 -0.581 0.075
+ATOM 10 CA ALA 6 13.169 -13.288 1.684 0.054
+ATOM 11 CB ALA 6 12.706 -12.783 1.696 0.001
+ATOM 12 CA ALA 7 10.382 -15.373 0.077 0.060
+ATOM 13 CB ALA 7 10.295 -15.478 -0.704 0.089
+ATOM 14 CA ALA 8 10.939 -19.239 -0.001 0.003
+ATOM 15 CB ALA 8 11.516 -19.321 0.453 0.020
+ATOM 16 CA ALA 9 8.161 -21.745 1.081 0.047
+ATOM 17 CB ALA 9 7.469 -21.529 0.974 0.111
+ATOM 18 CA ALA 10 10.562 -24.616 0.591 0.005
+ATOM 19 CB ALA 10 10.851 -24.999 0.082 0.027
+ATOM 20 CA ALA 11 13.040 -24.240 3.479 0.029
+ATOM 21 CB ALA 11 12.730 -24.853 3.781 0.033
+ATOM 22 CA ALA 12 15.907 -23.850 0.894 0.006
+ATOM 23 CB ALA 12 15.270 -24.016 0.363 0.020
+ATOM 24 CA ALA 13 17.994 -20.680 0.714 0.011
+ATOM 25 CB ALA 13 18.650 -21.049 0.608 0.061
+ATOM 26 CA CYS 14 17.864 -17.435 -1.231 0.009
+ATOM 27 CB CYS 14 16.979 -16.978 -0.507 0.016
+ATOM 28 CA ALA 15 20.975 -15.259 -1.825 0.028
+ATOM 29 CB ALA 15 20.996 -15.167 -2.630 0.020
+ATOM 30 CA ALA 16 23.555 -13.172 0.060 0.007
+ATOM 31 CB ALA 16 24.064 -12.910 0.572 0.116
+ATOM 32 CA ALA 17 25.972 -10.727 -1.646 0.010
+ATOM 33 CB ALA 17 25.650 -10.637 -2.305 0.192
+ATOM 34 CA GLY 18 28.851 -8.433 -0.607 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2134.95 ENERGY -1.07472E+01
+REMARK time 2274.66 ENERGY 6.22601E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.831 4.965 -1.912 0.009
-ATOM 2 CA ALA 2 -0.403 2.435 -0.393 0.020
-ATOM 3 CB ALA 2 -0.429 1.911 0.077 0.181
-ATOM 4 CA ALA 3 3.314 1.732 -1.015 0.055
-ATOM 5 CB ALA 3 3.926 2.157 -1.010 0.164
-ATOM 6 CA ALA 4 4.177 -2.025 -0.697 0.057
-ATOM 7 CB ALA 4 3.697 -2.477 -1.046 0.185
-ATOM 8 CA CYS 5 7.170 -4.369 -0.206 0.002
-ATOM 9 CB CYS 5 7.700 -4.261 0.797 0.017
-ATOM 10 CA ALA 6 7.431 -8.164 -0.320 0.015
-ATOM 11 CB ALA 6 7.271 -8.405 -1.018 0.098
-ATOM 12 CA ALA 7 9.822 -10.448 1.517 0.025
-ATOM 13 CB ALA 7 10.060 -11.029 1.926 0.072
-ATOM 14 CA ALA 8 13.168 -11.922 0.484 0.079
-ATOM 15 CB ALA 8 13.700 -11.439 0.126 0.022
-ATOM 16 CA ALA 9 15.495 -14.695 1.284 0.008
-ATOM 17 CB ALA 9 15.190 -15.350 1.255 0.225
-ATOM 18 CA ALA 10 19.198 -14.734 0.475 0.028
-ATOM 19 CB ALA 10 19.618 -14.607 1.033 0.020
-ATOM 20 CA ALA 11 21.096 -17.616 -1.202 0.022
-ATOM 21 CB ALA 11 21.804 -17.541 -1.351 0.246
-ATOM 22 CA ALA 12 21.549 -21.423 -0.520 0.027
-ATOM 23 CB ALA 12 21.090 -21.810 -0.939 0.045
-ATOM 24 CA ALA 13 24.810 -23.219 0.484 0.021
-ATOM 25 CB ALA 13 25.074 -23.067 1.196 0.004
-ATOM 26 CA CYS 14 26.598 -26.356 -0.739 0.030
-ATOM 27 CB CYS 14 26.632 -26.515 -2.038 0.010
-ATOM 28 CA ALA 15 29.007 -28.960 0.702 0.003
-ATOM 29 CB ALA 15 28.856 -29.618 0.565 0.012
-ATOM 30 CA ALA 16 32.780 -29.191 0.886 0.020
-ATOM 31 CB ALA 16 33.142 -28.769 1.317 0.196
-ATOM 32 CA ALA 17 35.216 -31.833 -0.208 0.009
-ATOM 33 CB ALA 17 35.688 -31.909 -0.759 0.051
-ATOM 34 CA GLY 18 37.517 -33.724 2.100 0.000
+ATOM 1 CA GLY 1 22.905 -1.780 0.310 0.031
+ATOM 2 CA ALA 2 22.035 -4.366 -2.153 0.015
+ATOM 3 CB ALA 2 22.349 -4.983 -2.232 0.005
+ATOM 4 CA ALA 3 18.961 -6.380 -1.200 0.011
+ATOM 5 CB ALA 3 18.279 -6.601 -1.273 0.010
+ATOM 6 CA ALA 4 18.343 -9.791 0.158 0.031
+ATOM 7 CB ALA 4 18.643 -9.862 0.841 0.015
+ATOM 8 CA CYS 5 15.423 -12.219 -0.309 0.009
+ATOM 9 CB CYS 5 15.710 -13.304 -0.604 0.013
+ATOM 10 CA ALA 6 12.419 -12.339 2.023 0.008
+ATOM 11 CB ALA 6 12.374 -11.758 1.780 0.052
+ATOM 12 CA ALA 7 10.087 -15.089 0.697 0.037
+ATOM 13 CB ALA 7 9.740 -15.248 0.069 0.051
+ATOM 14 CA ALA 8 10.877 -18.858 1.201 0.028
+ATOM 15 CB ALA 8 10.662 -18.602 1.907 0.094
+ATOM 16 CA ALA 9 8.612 -21.534 -0.175 0.017
+ATOM 17 CB ALA 9 8.270 -21.967 -0.729 0.101
+ATOM 18 CA ALA 10 11.431 -23.828 -1.173 0.021
+ATOM 19 CB ALA 10 11.713 -23.363 -1.605 0.065
+ATOM 20 CA ALA 11 13.483 -24.681 1.911 0.086
+ATOM 21 CB ALA 11 13.429 -25.403 2.103 0.083
+ATOM 22 CA ALA 12 17.111 -23.682 1.744 0.014
+ATOM 23 CB ALA 12 17.443 -24.049 1.193 0.030
+ATOM 24 CA ALA 13 18.130 -20.086 2.645 0.015
+ATOM 25 CB ALA 13 18.850 -20.193 2.778 0.059
+ATOM 26 CA CYS 14 17.862 -17.095 0.323 0.007
+ATOM 27 CB CYS 14 16.734 -16.517 0.281 0.071
+ATOM 28 CA ALA 15 21.222 -16.239 -1.175 0.033
+ATOM 29 CB ALA 15 21.492 -16.600 -1.808 0.050
+ATOM 30 CA ALA 16 22.823 -12.869 -0.876 0.015
+ATOM 31 CB ALA 16 22.976 -12.554 -0.191 0.210
+ATOM 32 CA ALA 17 25.738 -11.467 -2.808 0.013
+ATOM 33 CB ALA 17 25.659 -10.874 -3.267 0.076
+ATOM 34 CA GLY 18 27.401 -8.805 -0.590 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2163.97 ENERGY -1.16227E+01
+REMARK time 2303.76 ENERGY 8.04318E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.922 4.792 -2.977 0.042
-ATOM 2 CA ALA 2 -0.080 2.489 -0.551 0.034
-ATOM 3 CB ALA 2 -0.715 2.566 -0.270 0.096
-ATOM 4 CA ALA 3 3.268 0.769 -0.908 0.045
-ATOM 5 CB ALA 3 3.738 1.262 -0.657 0.063
-ATOM 6 CA ALA 4 4.116 -2.956 -0.615 0.022
-ATOM 7 CB ALA 4 4.276 -3.274 -1.268 0.010
-ATOM 8 CA CYS 5 6.251 -4.998 1.722 0.019
-ATOM 9 CB CYS 5 5.706 -5.191 2.857 0.046
-ATOM 10 CA ALA 6 9.114 -6.725 -0.066 0.023
-ATOM 11 CB ALA 6 9.606 -6.127 -0.244 0.084
-ATOM 12 CA ALA 7 11.619 -9.086 1.521 0.009
-ATOM 13 CB ALA 7 10.976 -9.593 1.555 0.003
-ATOM 14 CA ALA 8 14.817 -10.816 0.590 0.022
-ATOM 15 CB ALA 8 15.387 -10.351 0.686 0.039
-ATOM 16 CA ALA 9 14.871 -14.522 -0.117 0.057
-ATOM 17 CB ALA 9 14.373 -14.215 -0.592 0.269
-ATOM 18 CA ALA 10 17.833 -16.880 -0.242 0.005
-ATOM 19 CB ALA 10 18.385 -17.294 0.120 0.030
-ATOM 20 CA ALA 11 18.688 -20.034 -2.239 0.099
-ATOM 21 CB ALA 11 18.851 -19.997 -3.012 0.191
-ATOM 22 CA ALA 12 21.250 -22.521 -1.012 0.018
-ATOM 23 CB ALA 12 21.255 -23.202 -1.059 0.074
-ATOM 24 CA ALA 13 25.122 -22.403 -1.037 0.011
-ATOM 25 CB ALA 13 25.040 -21.911 -0.422 0.032
-ATOM 26 CA CYS 14 27.638 -25.223 -0.984 0.037
-ATOM 27 CB CYS 14 27.813 -25.285 -2.176 0.041
-ATOM 28 CA ALA 15 30.008 -26.902 1.442 0.013
-ATOM 29 CB ALA 15 29.490 -27.154 1.982 0.013
-ATOM 30 CA ALA 16 33.275 -28.758 1.387 0.006
-ATOM 31 CB ALA 16 33.637 -28.523 2.030 0.056
-ATOM 32 CA ALA 17 33.863 -32.546 1.416 0.008
-ATOM 33 CB ALA 17 33.555 -33.016 0.848 0.140
-ATOM 34 CA GLY 18 37.130 -34.542 1.563 0.000
+ATOM 1 CA GLY 1 22.659 -3.003 -3.992 0.045
+ATOM 2 CA ALA 2 22.217 -4.916 -0.910 0.026
+ATOM 3 CB ALA 2 22.443 -4.429 -0.405 0.006
+ATOM 4 CA ALA 3 18.713 -6.383 -0.740 0.054
+ATOM 5 CB ALA 3 18.411 -6.762 -1.341 0.095
+ATOM 6 CA ALA 4 17.117 -8.860 1.629 0.030
+ATOM 7 CB ALA 4 17.049 -8.525 2.266 0.026
+ATOM 8 CA CYS 5 15.060 -11.822 0.578 0.023
+ATOM 9 CB CYS 5 15.909 -12.682 0.456 0.021
+ATOM 10 CA ALA 6 11.432 -12.609 1.408 0.027
+ATOM 11 CB ALA 6 10.849 -12.172 1.165 0.063
+ATOM 12 CA ALA 7 10.769 -15.625 -0.836 0.002
+ATOM 13 CB ALA 7 10.642 -15.986 -1.585 0.015
+ATOM 14 CA ALA 8 10.758 -18.764 1.316 0.029
+ATOM 15 CB ALA 8 10.788 -18.183 1.729 0.052
+ATOM 16 CA ALA 9 8.367 -21.574 0.147 0.010
+ATOM 17 CB ALA 9 8.223 -21.807 -0.555 0.127
+ATOM 18 CA ALA 10 11.382 -23.527 -1.043 0.032
+ATOM 19 CB ALA 10 12.046 -23.540 -1.341 0.159
+ATOM 20 CA ALA 11 13.717 -25.286 1.312 0.034
+ATOM 21 CB ALA 11 13.569 -26.044 1.278 0.179
+ATOM 22 CA ALA 12 16.813 -23.295 0.142 0.015
+ATOM 23 CB ALA 12 17.038 -23.177 -0.531 0.011
+ATOM 24 CA ALA 13 16.988 -19.982 2.135 0.016
+ATOM 25 CB ALA 13 17.226 -20.314 2.763 0.012
+ATOM 26 CA CYS 14 18.839 -16.814 1.207 0.006
+ATOM 27 CB CYS 14 18.087 -15.972 0.649 0.016
+ATOM 28 CA ALA 15 22.593 -16.112 1.263 0.033
+ATOM 29 CB ALA 15 23.137 -16.447 0.778 0.034
+ATOM 30 CA ALA 16 24.267 -12.823 0.414 0.052
+ATOM 31 CB ALA 16 24.628 -12.601 0.964 0.030
+ATOM 32 CA ALA 17 24.733 -11.925 -3.223 0.015
+ATOM 33 CB ALA 17 24.147 -12.031 -3.598 0.028
+ATOM 34 CA GLY 18 27.355 -9.800 -5.057 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2188.95 ENERGY 1.07771E+00
+REMARK time 2333.76 ENERGY -3.91799E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.935 3.916 -2.642 0.031
-ATOM 2 CA ALA 2 0.276 2.206 -0.084 0.027
-ATOM 3 CB ALA 2 -0.039 2.011 0.576 0.087
-ATOM 4 CA ALA 3 3.563 0.612 -1.142 0.025
-ATOM 5 CB ALA 3 4.036 1.165 -1.024 0.042
-ATOM 6 CA ALA 4 4.577 -2.795 0.180 0.023
-ATOM 7 CB ALA 4 4.104 -2.998 -0.325 0.042
-ATOM 8 CA CYS 5 7.749 -4.110 1.928 0.028
-ATOM 9 CB CYS 5 8.169 -4.034 3.099 0.038
-ATOM 10 CA ALA 6 8.829 -7.208 0.041 0.006
-ATOM 11 CB ALA 6 9.056 -6.928 -0.648 0.097
-ATOM 12 CA ALA 7 10.228 -10.779 -0.277 0.052
-ATOM 13 CB ALA 7 9.580 -11.016 -0.386 0.047
-ATOM 14 CA ALA 8 13.753 -12.307 -0.699 0.063
-ATOM 15 CB ALA 8 14.249 -11.939 -0.183 0.102
-ATOM 16 CA ALA 9 13.831 -16.089 -0.889 0.018
-ATOM 17 CB ALA 9 13.504 -16.359 -1.573 0.125
-ATOM 18 CA ALA 10 17.026 -17.386 0.674 0.015
-ATOM 19 CB ALA 10 16.644 -17.955 0.978 0.058
-ATOM 20 CA ALA 11 20.680 -17.120 -0.548 0.004
-ATOM 21 CB ALA 11 21.166 -16.793 -0.212 0.006
-ATOM 22 CA ALA 12 22.360 -20.386 -1.595 0.034
-ATOM 23 CB ALA 12 22.374 -20.886 -2.277 0.026
-ATOM 24 CA ALA 13 25.278 -22.453 -0.240 0.071
-ATOM 25 CB ALA 13 25.419 -22.302 0.499 0.021
-ATOM 26 CA CYS 14 27.148 -25.595 -1.333 0.032
-ATOM 27 CB CYS 14 26.441 -26.643 -1.751 0.045
-ATOM 28 CA ALA 15 30.532 -26.387 0.205 0.045
-ATOM 29 CB ALA 15 30.314 -26.174 0.925 0.098
-ATOM 30 CA ALA 16 32.641 -29.424 -0.593 0.011
-ATOM 31 CB ALA 16 33.281 -29.730 -0.821 0.044
-ATOM 32 CA ALA 17 33.391 -31.432 2.525 0.006
-ATOM 33 CB ALA 17 32.677 -31.568 2.738 0.083
-ATOM 34 CA GLY 18 36.253 -33.380 3.858 0.000
+ATOM 1 CA GLY 1 20.270 0.156 0.373 0.046
+ATOM 2 CA ALA 2 21.014 -3.504 -0.427 0.002
+ATOM 3 CB ALA 2 21.647 -3.775 -0.333 0.041
+ATOM 4 CA ALA 3 18.875 -6.626 -1.238 0.010
+ATOM 5 CB ALA 3 18.791 -6.855 -1.892 0.035
+ATOM 6 CA ALA 4 17.131 -9.189 0.815 0.037
+ATOM 7 CB ALA 4 16.755 -9.226 1.487 0.083
+ATOM 8 CA CYS 5 15.544 -12.587 0.241 0.012
+ATOM 9 CB CYS 5 16.261 -13.371 0.820 0.038
+ATOM 10 CA ALA 6 11.804 -12.902 -0.415 0.037
+ATOM 11 CB ALA 6 11.240 -12.425 -0.608 0.040
+ATOM 12 CA ALA 7 10.656 -16.520 -0.607 0.037
+ATOM 13 CB ALA 7 11.357 -16.617 -0.920 0.081
+ATOM 14 CA ALA 8 8.620 -18.546 1.915 0.042
+ATOM 15 CB ALA 8 8.041 -18.787 2.336 0.081
+ATOM 16 CA ALA 9 8.044 -21.208 -0.746 0.014
+ATOM 17 CB ALA 9 7.944 -21.140 -1.423 0.042
+ATOM 18 CA ALA 10 11.561 -22.570 -0.560 0.007
+ATOM 19 CB ALA 10 12.101 -22.086 -0.323 0.089
+ATOM 20 CA ALA 11 13.124 -24.323 2.505 0.009
+ATOM 21 CB ALA 11 12.955 -25.006 2.746 0.080
+ATOM 22 CA ALA 12 16.545 -23.628 1.075 0.006
+ATOM 23 CB ALA 12 16.661 -23.721 0.311 0.055
+ATOM 24 CA ALA 13 18.132 -20.580 2.785 0.044
+ATOM 25 CB ALA 13 18.566 -20.975 3.292 0.074
+ATOM 26 CA CYS 14 19.072 -17.277 1.103 0.054
+ATOM 27 CB CYS 14 18.324 -16.305 1.318 0.067
+ATOM 28 CA ALA 15 22.290 -16.290 -0.633 0.011
+ATOM 29 CB ALA 15 22.757 -16.497 -1.222 0.072
+ATOM 30 CA ALA 16 24.014 -12.962 -1.299 0.025
+ATOM 31 CB ALA 16 23.930 -12.330 -0.826 0.084
+ATOM 32 CA ALA 17 27.170 -12.670 -3.450 0.032
+ATOM 33 CB ALA 17 27.039 -13.006 -4.212 0.022
+ATOM 34 CA GLY 18 29.290 -9.635 -4.111 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2217.26 ENERGY -2.26530E+00
+REMARK time 2358.26 ENERGY 1.56710E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.899 5.737 -0.429 0.025
-ATOM 2 CA ALA 2 1.502 3.888 1.903 0.008
-ATOM 3 CB ALA 2 1.213 3.736 2.525 0.155
-ATOM 4 CA ALA 3 3.234 1.142 -0.069 0.122
-ATOM 5 CB ALA 3 3.913 1.456 -0.153 0.040
-ATOM 6 CA ALA 4 3.256 -2.644 -0.142 0.010
-ATOM 7 CB ALA 4 3.086 -2.730 -0.886 0.067
-ATOM 8 CA CYS 5 6.300 -4.934 -0.494 0.013
-ATOM 9 CB CYS 5 7.302 -4.610 0.159 0.028
-ATOM 10 CA ALA 6 6.728 -8.524 -1.543 0.027
-ATOM 11 CB ALA 6 6.959 -8.797 -2.123 0.057
-ATOM 12 CA ALA 7 9.372 -10.716 0.042 0.025
-ATOM 13 CB ALA 7 8.754 -10.975 0.382 0.047
-ATOM 14 CA ALA 8 12.984 -11.819 -0.585 0.007
-ATOM 15 CB ALA 8 13.693 -11.662 -0.246 0.138
-ATOM 16 CA ALA 9 14.565 -15.073 -1.667 0.058
-ATOM 17 CB ALA 9 14.904 -15.092 -2.274 0.090
-ATOM 18 CA ALA 10 17.638 -16.281 0.028 0.044
-ATOM 19 CB ALA 10 17.632 -16.704 0.665 0.033
-ATOM 20 CA ALA 11 20.783 -18.355 -0.936 0.010
-ATOM 21 CB ALA 11 21.230 -18.049 -1.360 0.049
-ATOM 22 CA ALA 12 22.128 -21.665 0.412 0.042
-ATOM 23 CB ALA 12 22.027 -22.387 0.158 0.075
-ATOM 24 CA ALA 13 25.600 -23.096 1.017 0.040
-ATOM 25 CB ALA 13 25.405 -23.002 1.705 0.026
-ATOM 26 CA CYS 14 28.062 -25.008 -1.196 0.011
-ATOM 27 CB CYS 14 27.080 -25.732 -1.498 0.001
-ATOM 28 CA ALA 15 31.534 -26.497 -0.692 0.031
-ATOM 29 CB ALA 15 31.969 -26.219 -0.135 0.116
-ATOM 30 CA ALA 16 33.056 -29.962 -0.180 0.052
-ATOM 31 CB ALA 16 32.764 -29.947 -0.827 0.008
-ATOM 32 CA ALA 17 34.319 -31.432 3.164 0.004
-ATOM 33 CB ALA 17 34.254 -31.589 3.902 0.011
-ATOM 34 CA GLY 18 35.435 -34.981 2.588 0.000
+ATOM 1 CA GLY 1 21.295 -0.455 0.309 0.020
+ATOM 2 CA ALA 2 20.280 -3.663 2.155 0.034
+ATOM 3 CB ALA 2 20.126 -3.804 2.890 0.012
+ATOM 4 CA ALA 3 18.698 -6.669 0.567 0.067
+ATOM 5 CB ALA 3 18.473 -6.857 0.020 0.002
+ATOM 6 CA ALA 4 17.116 -10.043 1.425 0.024
+ATOM 7 CB ALA 4 16.667 -10.394 1.901 0.126
+ATOM 8 CA CYS 5 15.714 -12.607 -1.255 0.065
+ATOM 9 CB CYS 5 16.083 -13.567 -0.520 0.070
+ATOM 10 CA ALA 6 12.043 -13.319 -1.702 0.026
+ATOM 11 CB ALA 6 12.058 -13.139 -2.452 0.034
+ATOM 12 CA ALA 7 10.675 -16.745 -2.722 0.073
+ATOM 13 CB ALA 7 11.349 -16.940 -2.495 0.071
+ATOM 14 CA ALA 8 10.251 -17.868 0.872 0.000
+ATOM 15 CB ALA 8 9.635 -17.767 1.123 0.054
+ATOM 16 CA ALA 9 8.002 -21.044 1.014 0.023
+ATOM 17 CB ALA 9 7.574 -21.030 0.471 0.011
+ATOM 18 CA ALA 10 11.043 -23.338 0.493 0.025
+ATOM 19 CB ALA 10 11.206 -23.545 -0.148 0.026
+ATOM 20 CA ALA 11 12.726 -23.779 3.859 0.003
+ATOM 21 CB ALA 11 12.550 -24.303 4.214 0.086
+ATOM 22 CA ALA 12 16.140 -22.973 2.467 0.019
+ATOM 23 CB ALA 12 16.338 -23.450 1.927 0.048
+ATOM 24 CA ALA 13 18.072 -19.632 2.629 0.004
+ATOM 25 CB ALA 13 18.573 -19.434 3.127 0.061
+ATOM 26 CA CYS 14 18.987 -17.165 -0.029 0.006
+ATOM 27 CB CYS 14 17.905 -16.698 -0.342 0.019
+ATOM 28 CA ALA 15 22.504 -15.988 -0.887 0.026
+ATOM 29 CB ALA 15 23.154 -16.399 -0.897 0.024
+ATOM 30 CA ALA 16 23.994 -13.009 -2.751 0.010
+ATOM 31 CB ALA 16 23.950 -12.257 -2.807 0.055
+ATOM 32 CA ALA 17 27.702 -12.733 -3.532 0.040
+ATOM 33 CB ALA 17 28.386 -12.980 -3.571 0.083
+ATOM 34 CA GLY 18 28.633 -9.137 -4.782 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2242.99 ENERGY 6.45118E+00
+REMARK time 2383.41 ENERGY 3.42168E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 2.719 4.286 4.663 0.025
-ATOM 2 CA ALA 2 3.105 1.193 2.360 0.014
-ATOM 3 CB ALA 2 2.902 0.787 2.904 0.014
-ATOM 4 CA ALA 3 2.866 0.327 -1.279 0.075
-ATOM 5 CB ALA 3 3.405 0.674 -1.680 0.030
-ATOM 6 CA ALA 4 3.006 -3.327 -2.154 0.028
-ATOM 7 CB ALA 4 2.586 -3.589 -2.753 0.080
-ATOM 8 CA CYS 5 5.754 -5.373 -0.598 0.021
-ATOM 9 CB CYS 5 6.334 -4.866 0.418 0.059
-ATOM 10 CA ALA 6 8.122 -7.604 -2.598 0.005
-ATOM 11 CB ALA 6 8.365 -6.895 -2.619 0.104
-ATOM 12 CA ALA 7 10.744 -8.834 -0.067 0.006
-ATOM 13 CB ALA 7 10.695 -8.324 0.469 0.073
-ATOM 14 CA ALA 8 11.606 -12.451 -0.943 0.005
-ATOM 15 CB ALA 8 11.887 -12.308 -1.618 0.034
-ATOM 16 CA ALA 9 14.363 -14.871 0.032 0.018
-ATOM 17 CB ALA 9 13.974 -15.481 0.084 0.048
-ATOM 18 CA ALA 10 17.725 -15.451 -1.514 0.059
-ATOM 19 CB ALA 10 18.275 -15.077 -1.132 0.100
-ATOM 20 CA ALA 11 19.406 -18.897 -1.595 0.017
-ATOM 21 CB ALA 11 19.861 -19.098 -2.142 0.073
-ATOM 22 CA ALA 12 22.577 -20.315 -0.118 0.080
-ATOM 23 CB ALA 12 22.425 -20.318 0.608 0.120
-ATOM 24 CA ALA 13 26.026 -21.894 -0.103 0.008
-ATOM 25 CB ALA 13 26.675 -21.836 -0.350 0.035
-ATOM 26 CA CYS 14 26.787 -25.415 1.121 0.007
-ATOM 27 CB CYS 14 26.834 -26.156 0.099 0.013
-ATOM 28 CA ALA 15 29.237 -27.740 2.770 0.048
-ATOM 29 CB ALA 15 29.039 -28.122 3.442 0.069
-ATOM 30 CA ALA 16 32.667 -28.579 1.270 0.089
-ATOM 31 CB ALA 16 33.399 -28.547 1.259 0.152
-ATOM 32 CA ALA 17 34.302 -31.980 0.780 0.017
-ATOM 33 CB ALA 17 33.763 -31.951 0.307 0.145
-ATOM 34 CA GLY 18 37.620 -33.594 0.060 0.000
+ATOM 1 CA GLY 1 21.439 -1.505 4.225 0.011
+ATOM 2 CA ALA 2 21.001 -5.053 2.680 0.002
+ATOM 3 CB ALA 2 20.971 -5.646 3.159 0.133
+ATOM 4 CA ALA 3 18.656 -6.706 0.169 0.006
+ATOM 5 CB ALA 3 19.003 -6.803 -0.439 0.048
+ATOM 6 CA ALA 4 16.441 -9.637 0.981 0.031
+ATOM 7 CB ALA 4 15.767 -9.405 1.205 0.014
+ATOM 8 CA CYS 5 15.327 -12.549 -1.215 0.009
+ATOM 9 CB CYS 5 16.127 -13.539 -0.859 0.106
+ATOM 10 CA ALA 6 12.611 -13.641 -3.474 0.021
+ATOM 11 CB ALA 6 12.838 -13.509 -4.137 0.038
+ATOM 12 CA ALA 7 13.361 -17.304 -2.799 0.009
+ATOM 13 CB ALA 7 13.994 -17.612 -2.736 0.076
+ATOM 14 CA ALA 8 10.758 -17.286 -0.026 0.048
+ATOM 15 CB ALA 8 10.290 -16.686 0.094 0.013
+ATOM 16 CA ALA 9 8.596 -20.363 0.181 0.040
+ATOM 17 CB ALA 9 8.138 -20.007 -0.339 0.014
+ATOM 18 CA ALA 10 11.576 -22.544 0.604 0.047
+ATOM 19 CB ALA 10 12.172 -22.541 0.221 0.101
+ATOM 20 CA ALA 11 12.619 -23.587 4.087 0.064
+ATOM 21 CB ALA 11 12.415 -24.061 4.625 0.047
+ATOM 22 CA ALA 12 16.347 -22.710 3.778 0.031
+ATOM 23 CB ALA 12 16.354 -22.924 3.086 0.031
+ATOM 24 CA ALA 13 18.803 -19.893 4.075 0.024
+ATOM 25 CB ALA 13 19.179 -20.398 4.374 0.063
+ATOM 26 CA CYS 14 18.711 -17.676 0.999 0.022
+ATOM 27 CB CYS 14 18.002 -16.842 0.560 0.072
+ATOM 28 CA ALA 15 21.298 -16.227 -1.251 0.016
+ATOM 29 CB ALA 15 21.706 -16.592 -1.703 0.211
+ATOM 30 CA ALA 16 22.360 -12.861 -2.577 0.028
+ATOM 31 CB ALA 16 22.682 -12.253 -2.230 0.032
+ATOM 32 CA ALA 17 25.363 -12.301 -4.865 0.019
+ATOM 33 CB ALA 17 25.256 -12.279 -5.658 0.039
+ATOM 34 CA GLY 18 27.827 -9.431 -5.134 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2265.60 ENERGY -8.61434E+00
+REMARK time 2409.42 ENERGY -6.99830E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.186 3.913 4.232 0.017
-ATOM 2 CA ALA 2 3.121 2.095 3.839 0.041
-ATOM 3 CB ALA 2 3.253 1.381 4.152 0.106
-ATOM 4 CA ALA 3 3.649 0.499 0.364 0.017
-ATOM 5 CB ALA 3 4.162 0.726 -0.198 0.019
-ATOM 6 CA ALA 4 4.196 -3.186 -0.414 0.018
-ATOM 7 CB ALA 4 3.688 -3.653 -0.635 0.045
-ATOM 8 CA CYS 5 7.107 -4.986 -1.885 0.046
-ATOM 9 CB CYS 5 8.046 -5.172 -1.092 0.036
-ATOM 10 CA ALA 6 6.985 -8.796 -2.556 0.017
-ATOM 11 CB ALA 6 6.584 -9.125 -3.105 0.030
-ATOM 12 CA ALA 7 10.410 -10.413 -2.367 0.017
-ATOM 13 CB ALA 7 10.695 -10.650 -1.672 0.039
-ATOM 14 CA ALA 8 12.636 -13.161 -3.681 0.043
-ATOM 15 CB ALA 8 12.684 -13.205 -4.477 0.147
-ATOM 16 CA ALA 9 15.275 -14.470 -1.355 0.003
-ATOM 17 CB ALA 9 14.909 -14.705 -0.747 0.009
-ATOM 18 CA ALA 10 18.409 -16.393 -2.270 0.024
-ATOM 19 CB ALA 10 18.692 -15.700 -2.225 0.033
-ATOM 20 CA ALA 11 19.850 -19.325 -0.391 0.031
-ATOM 21 CB ALA 11 19.819 -20.005 -0.718 0.052
-ATOM 22 CA ALA 12 22.686 -19.382 2.184 0.063
-ATOM 23 CB ALA 12 22.249 -19.101 2.675 0.064
-ATOM 24 CA ALA 13 25.675 -21.549 1.271 0.056
-ATOM 25 CB ALA 13 26.207 -21.436 1.814 0.147
-ATOM 26 CA CYS 14 26.202 -25.358 2.057 0.081
-ATOM 27 CB CYS 14 25.871 -25.705 0.858 0.008
-ATOM 28 CA ALA 15 29.499 -26.803 3.182 0.011
-ATOM 29 CB ALA 15 29.633 -27.322 3.708 0.118
-ATOM 30 CA ALA 16 32.023 -28.037 0.689 0.013
-ATOM 31 CB ALA 16 32.437 -27.391 0.612 0.025
-ATOM 32 CA ALA 17 32.958 -31.634 0.114 0.015
-ATOM 33 CB ALA 17 32.508 -32.147 -0.115 0.178
-ATOM 34 CA GLY 18 36.178 -32.073 -1.782 0.000
+ATOM 1 CA GLY 1 21.014 -2.594 5.312 0.015
+ATOM 2 CA ALA 2 21.845 -6.167 4.154 0.062
+ATOM 3 CB ALA 2 21.602 -6.680 4.608 0.011
+ATOM 4 CA ALA 3 20.260 -7.772 1.065 0.040
+ATOM 5 CB ALA 3 20.641 -7.878 0.429 0.203
+ATOM 6 CA ALA 4 17.075 -9.649 0.456 0.033
+ATOM 7 CB ALA 4 16.383 -9.572 0.568 0.003
+ATOM 8 CA CYS 5 16.110 -12.405 -1.923 0.027
+ATOM 9 CB CYS 5 17.073 -13.206 -1.676 0.020
+ATOM 10 CA ALA 6 12.912 -14.129 -3.263 0.031
+ATOM 11 CB ALA 6 12.703 -13.684 -3.856 0.099
+ATOM 12 CA ALA 7 12.304 -17.845 -3.665 0.016
+ATOM 13 CB ALA 7 12.548 -18.480 -3.868 0.047
+ATOM 14 CA ALA 8 10.145 -17.906 -0.504 0.036
+ATOM 15 CB ALA 8 9.588 -17.532 -0.372 0.078
+ATOM 16 CA ALA 9 8.717 -21.392 -0.994 0.018
+ATOM 17 CB ALA 9 8.573 -21.813 -1.590 0.027
+ATOM 18 CA ALA 10 11.150 -23.060 1.385 0.044
+ATOM 19 CB ALA 10 11.407 -23.406 0.721 0.054
+ATOM 20 CA ALA 11 12.652 -22.320 4.805 0.036
+ATOM 21 CB ALA 11 12.177 -22.672 5.283 0.095
+ATOM 22 CA ALA 12 16.396 -22.385 4.320 0.028
+ATOM 23 CB ALA 12 16.725 -23.034 4.008 0.076
+ATOM 24 CA ALA 13 17.464 -18.846 3.491 0.091
+ATOM 25 CB ALA 13 17.514 -18.660 4.231 0.017
+ATOM 26 CA CYS 14 19.142 -16.595 1.012 0.025
+ATOM 27 CB CYS 14 18.536 -16.037 0.146 0.101
+ATOM 28 CA ALA 15 22.562 -15.208 0.178 0.034
+ATOM 29 CB ALA 15 23.257 -15.417 0.033 0.021
+ATOM 30 CA ALA 16 22.547 -12.199 -2.081 0.031
+ATOM 31 CB ALA 16 22.898 -11.506 -1.995 0.067
+ATOM 32 CA ALA 17 23.962 -11.954 -5.553 0.011
+ATOM 33 CB ALA 17 23.596 -12.317 -6.013 0.002
+ATOM 34 CA GLY 18 24.989 -9.318 -8.136 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2291.92 ENERGY 1.78221E+00
+REMARK time 2434.28 ENERGY -4.90983E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 0.762 3.989 5.120 0.060
-ATOM 2 CA ALA 2 2.214 2.208 2.050 0.030
-ATOM 3 CB ALA 2 2.827 2.055 1.702 0.135
-ATOM 4 CA ALA 3 1.814 -1.531 1.722 0.009
-ATOM 5 CB ALA 3 1.240 -1.965 1.514 0.021
-ATOM 6 CA ALA 4 5.190 -2.426 0.097 0.002
-ATOM 7 CB ALA 4 5.555 -2.522 0.752 0.068
-ATOM 8 CA CYS 5 6.445 -5.080 -2.315 0.021
-ATOM 9 CB CYS 5 7.370 -4.369 -2.604 0.018
-ATOM 10 CA ALA 6 8.625 -8.064 -1.721 0.085
-ATOM 11 CB ALA 6 8.371 -8.735 -2.005 0.017
-ATOM 12 CA ALA 7 12.186 -9.348 -1.888 0.015
-ATOM 13 CB ALA 7 12.720 -9.159 -1.295 0.047
-ATOM 14 CA ALA 8 12.836 -12.652 -3.743 0.009
-ATOM 15 CB ALA 8 13.079 -12.236 -4.409 0.089
-ATOM 16 CA ALA 9 13.740 -15.767 -1.791 0.002
-ATOM 17 CB ALA 9 13.216 -16.298 -1.929 0.056
-ATOM 18 CA ALA 10 17.379 -16.379 -0.835 0.007
-ATOM 19 CB ALA 10 17.775 -16.089 -0.287 0.005
-ATOM 20 CA ALA 11 19.927 -18.999 -1.859 0.022
-ATOM 21 CB ALA 11 19.947 -18.755 -2.519 0.119
-ATOM 22 CA ALA 12 22.014 -20.106 1.137 0.043
-ATOM 23 CB ALA 12 21.526 -20.355 1.626 0.086
-ATOM 24 CA ALA 13 25.370 -21.916 0.879 0.089
-ATOM 25 CB ALA 13 26.019 -21.682 0.591 0.040
-ATOM 26 CA CYS 14 26.922 -24.896 2.854 0.024
-ATOM 27 CB CYS 14 26.352 -25.793 2.206 0.007
-ATOM 28 CA ALA 15 30.315 -26.601 3.052 0.027
-ATOM 29 CB ALA 15 30.690 -26.758 3.631 0.036
-ATOM 30 CA ALA 16 32.753 -27.842 0.358 0.016
-ATOM 31 CB ALA 16 33.472 -27.476 0.342 0.020
-ATOM 32 CA ALA 17 32.856 -31.603 0.762 0.003
-ATOM 33 CB ALA 17 32.271 -31.864 0.669 0.086
-ATOM 34 CA GLY 18 34.731 -33.596 -1.831 0.000
+ATOM 1 CA GLY 1 23.278 -6.021 5.220 0.016
+ATOM 2 CA ALA 2 19.440 -6.234 4.675 0.025
+ATOM 3 CB ALA 2 18.830 -5.824 4.921 0.041
+ATOM 4 CA ALA 3 18.435 -8.716 1.958 0.017
+ATOM 5 CB ALA 3 18.839 -9.319 1.953 0.025
+ATOM 6 CA ALA 4 15.043 -9.418 0.408 0.014
+ATOM 7 CB ALA 4 14.838 -8.880 -0.079 0.066
+ATOM 8 CA CYS 5 14.475 -12.957 -0.972 0.013
+ATOM 9 CB CYS 5 15.203 -13.921 -0.711 0.009
+ATOM 10 CA ALA 6 11.976 -14.001 -3.755 0.044
+ATOM 11 CB ALA 6 12.133 -13.608 -4.427 0.002
+ATOM 12 CA ALA 7 12.805 -17.684 -3.318 0.025
+ATOM 13 CB ALA 7 13.471 -17.937 -3.504 0.079
+ATOM 14 CA ALA 8 11.802 -17.653 0.358 0.072
+ATOM 15 CB ALA 8 12.078 -16.983 0.554 0.041
+ATOM 16 CA ALA 9 9.060 -20.181 -0.417 0.058
+ATOM 17 CB ALA 9 8.592 -20.114 -0.918 0.018
+ATOM 18 CA ALA 10 11.163 -22.914 1.149 0.066
+ATOM 19 CB ALA 10 11.815 -23.316 1.212 0.075
+ATOM 20 CA ALA 11 12.944 -22.238 4.460 0.051
+ATOM 21 CB ALA 11 12.817 -22.916 4.893 0.080
+ATOM 22 CA ALA 12 16.605 -21.701 3.343 0.060
+ATOM 23 CB ALA 12 16.366 -21.638 2.647 0.087
+ATOM 24 CA ALA 13 18.358 -18.342 3.792 0.034
+ATOM 25 CB ALA 13 18.742 -18.011 4.218 0.031
+ATOM 26 CA CYS 14 19.319 -16.161 0.789 0.015
+ATOM 27 CB CYS 14 18.174 -15.773 0.600 0.023
+ATOM 28 CA ALA 15 22.625 -14.902 -0.627 0.048
+ATOM 29 CB ALA 15 22.937 -15.467 -0.856 0.070
+ATOM 30 CA ALA 16 24.002 -12.408 -3.227 0.022
+ATOM 31 CB ALA 16 24.624 -12.055 -3.087 0.191
+ATOM 32 CA ALA 17 25.967 -12.942 -6.524 0.013
+ATOM 33 CB ALA 17 25.255 -12.956 -6.749 0.128
+ATOM 34 CA GLY 18 26.555 -9.677 -8.331 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2319.00 ENERGY -1.12938E+01
+REMARK time 2459.82 ENERGY -6.94132E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.849 4.226 5.000 0.017
-ATOM 2 CA ALA 2 0.573 2.363 2.743 0.015
-ATOM 3 CB ALA 2 1.185 2.574 2.353 0.197
-ATOM 4 CA ALA 3 1.574 -0.900 1.165 0.017
-ATOM 5 CB ALA 3 1.572 -1.169 0.421 0.104
-ATOM 6 CA ALA 4 5.112 -1.730 0.012 0.050
-ATOM 7 CB ALA 4 5.656 -2.082 0.374 0.044
-ATOM 8 CA CYS 5 6.371 -4.144 -2.588 0.005
-ATOM 9 CB CYS 5 7.104 -3.267 -3.098 0.008
-ATOM 10 CA ALA 6 8.199 -7.240 -1.216 0.031
-ATOM 11 CB ALA 6 7.715 -7.744 -1.027 0.097
-ATOM 12 CA ALA 7 11.641 -8.769 -1.742 0.022
-ATOM 13 CB ALA 7 12.156 -8.212 -1.405 0.008
-ATOM 14 CA ALA 8 12.342 -12.279 -2.980 0.009
-ATOM 15 CB ALA 8 12.518 -12.156 -3.733 0.053
-ATOM 16 CA ALA 9 14.470 -14.898 -1.189 0.019
-ATOM 17 CB ALA 9 14.028 -15.264 -0.663 0.049
-ATOM 18 CA ALA 10 17.764 -16.681 -1.677 0.009
-ATOM 19 CB ALA 10 18.282 -16.153 -1.589 0.172
-ATOM 20 CA ALA 11 19.336 -19.990 -0.930 0.037
-ATOM 21 CB ALA 11 19.104 -20.249 -1.602 0.040
-ATOM 22 CA ALA 12 22.202 -21.249 1.276 0.003
-ATOM 23 CB ALA 12 21.956 -21.654 1.778 0.016
-ATOM 24 CA ALA 13 25.869 -22.049 0.447 0.023
-ATOM 25 CB ALA 13 26.359 -21.484 0.657 0.029
-ATOM 26 CA CYS 14 27.441 -25.481 0.856 0.015
-ATOM 27 CB CYS 14 26.721 -26.154 0.138 0.065
-ATOM 28 CA ALA 15 31.088 -26.196 1.690 0.008
-ATOM 29 CB ALA 15 31.440 -26.211 2.404 0.195
-ATOM 30 CA ALA 16 33.348 -29.138 1.034 0.061
-ATOM 31 CB ALA 16 34.124 -29.275 1.069 0.093
-ATOM 32 CA ALA 17 33.399 -32.844 1.967 0.046
-ATOM 33 CB ALA 17 33.154 -33.377 1.636 0.044
-ATOM 34 CA GLY 18 36.569 -34.310 0.611 0.000
+ATOM 1 CA GLY 1 20.869 -4.233 6.392 0.021
+ATOM 2 CA ALA 2 18.016 -6.424 4.933 0.076
+ATOM 3 CB ALA 2 17.506 -5.891 5.045 0.156
+ATOM 4 CA ALA 3 18.446 -8.489 1.869 0.036
+ATOM 5 CB ALA 3 18.948 -9.127 2.015 0.031
+ATOM 6 CA ALA 4 15.748 -9.181 -0.666 0.016
+ATOM 7 CB ALA 4 15.594 -8.543 -0.886 0.042
+ATOM 8 CA CYS 5 14.979 -12.627 -1.863 0.038
+ATOM 9 CB CYS 5 15.706 -13.457 -1.424 0.054
+ATOM 10 CA ALA 6 11.570 -13.364 -3.317 0.011
+ATOM 11 CB ALA 6 11.126 -13.070 -3.771 0.084
+ATOM 12 CA ALA 7 12.035 -17.118 -2.768 0.012
+ATOM 13 CB ALA 7 12.458 -17.709 -2.750 0.055
+ATOM 14 CA ALA 8 12.090 -16.765 1.042 0.011
+ATOM 15 CB ALA 8 11.819 -16.544 1.717 0.068
+ATOM 16 CA ALA 9 9.321 -19.368 1.533 0.017
+ATOM 17 CB ALA 9 8.753 -19.390 1.000 0.022
+ATOM 18 CA ALA 10 11.735 -22.194 1.108 0.004
+ATOM 19 CB ALA 10 12.355 -22.416 0.806 0.059
+ATOM 20 CA ALA 11 13.497 -23.807 4.023 0.002
+ATOM 21 CB ALA 11 13.707 -24.459 3.821 0.032
+ATOM 22 CA ALA 12 16.799 -22.131 3.090 0.007
+ATOM 23 CB ALA 12 16.863 -22.555 2.486 0.010
+ATOM 24 CA ALA 13 18.389 -18.735 3.357 0.013
+ATOM 25 CB ALA 13 18.806 -18.856 3.945 0.049
+ATOM 26 CA CYS 14 19.349 -16.405 0.552 0.022
+ATOM 27 CB CYS 14 18.482 -15.637 0.067 0.037
+ATOM 28 CA ALA 15 22.400 -16.003 -1.637 0.096
+ATOM 29 CB ALA 15 22.672 -16.604 -1.936 0.135
+ATOM 30 CA ALA 16 23.581 -13.267 -3.949 0.016
+ATOM 31 CB ALA 16 23.661 -12.940 -3.269 0.005
+ATOM 32 CA ALA 17 25.919 -12.653 -6.889 0.068
+ATOM 33 CB ALA 17 25.387 -12.242 -7.245 0.197
+ATOM 34 CA GLY 18 29.118 -11.323 -5.562 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2343.80 ENERGY -7.59201E+00
+REMARK time 2489.41 ENERGY -5.44917E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.415 4.144 1.501 0.015
-ATOM 2 CA ALA 2 0.200 3.005 1.788 0.033
-ATOM 3 CB ALA 2 0.098 3.032 2.505 0.102
-ATOM 4 CA ALA 3 1.921 0.048 0.101 0.059
-ATOM 5 CB ALA 3 2.051 -0.484 -0.344 0.022
-ATOM 6 CA ALA 4 4.924 -2.001 1.082 0.019
-ATOM 7 CB ALA 4 5.001 -2.175 1.781 0.176
-ATOM 8 CA CYS 5 6.829 -4.851 -0.675 0.041
-ATOM 9 CB CYS 5 7.307 -4.444 -1.684 0.057
-ATOM 10 CA ALA 6 8.723 -8.038 0.208 0.032
-ATOM 11 CB ALA 6 8.291 -8.435 0.769 0.036
-ATOM 12 CA ALA 7 11.640 -9.357 -1.760 0.009
-ATOM 13 CB ALA 7 12.172 -8.836 -1.498 0.059
-ATOM 14 CA ALA 8 12.847 -12.688 -3.041 0.012
-ATOM 15 CB ALA 8 12.848 -12.847 -3.833 0.014
-ATOM 16 CA ALA 9 15.079 -14.485 -0.481 0.028
-ATOM 17 CB ALA 9 14.406 -14.734 -0.269 0.050
-ATOM 18 CA ALA 10 18.735 -15.121 -1.255 0.028
-ATOM 19 CB ALA 10 19.235 -14.652 -1.201 0.046
-ATOM 20 CA ALA 11 20.361 -18.628 -1.372 0.035
-ATOM 21 CB ALA 11 20.387 -18.699 -2.060 0.075
-ATOM 22 CA ALA 12 23.128 -20.290 0.557 0.028
-ATOM 23 CB ALA 12 23.146 -20.562 1.250 0.087
-ATOM 24 CA ALA 13 25.299 -22.919 -0.979 0.025
-ATOM 25 CB ALA 13 25.691 -22.342 -1.185 0.037
-ATOM 26 CA CYS 14 26.287 -26.518 -0.024 0.002
-ATOM 27 CB CYS 14 25.732 -27.213 -0.851 0.088
-ATOM 28 CA ALA 15 29.708 -27.366 1.464 0.037
-ATOM 29 CB ALA 15 30.049 -27.057 2.082 0.110
-ATOM 30 CA ALA 16 31.396 -30.787 1.147 0.005
-ATOM 31 CB ALA 16 30.884 -30.891 0.684 0.039
-ATOM 32 CA ALA 17 34.784 -31.133 2.840 0.015
-ATOM 33 CB ALA 17 34.791 -31.798 3.075 0.110
-ATOM 34 CA GLY 18 38.227 -32.186 1.664 0.000
+ATOM 1 CA GLY 1 21.777 -3.458 6.377 0.022
+ATOM 2 CA ALA 2 20.296 -6.059 4.092 0.070
+ATOM 3 CB ALA 2 20.424 -6.780 4.350 0.042
+ATOM 4 CA ALA 3 17.941 -6.418 1.063 0.031
+ATOM 5 CB ALA 3 17.885 -6.429 0.311 0.009
+ATOM 6 CA ALA 4 15.498 -9.273 0.380 0.025
+ATOM 7 CB ALA 4 14.957 -8.879 0.407 0.051
+ATOM 8 CA CYS 5 14.983 -12.795 -0.981 0.004
+ATOM 9 CB CYS 5 15.783 -13.691 -0.691 0.021
+ATOM 10 CA ALA 6 11.709 -13.429 -2.664 0.008
+ATOM 11 CB ALA 6 11.321 -13.076 -3.131 0.008
+ATOM 12 CA ALA 7 12.346 -17.187 -2.964 0.027
+ATOM 13 CB ALA 7 12.983 -17.346 -3.071 0.047
+ATOM 14 CA ALA 8 11.918 -17.666 0.732 0.022
+ATOM 15 CB ALA 8 11.699 -16.982 0.899 0.065
+ATOM 16 CA ALA 9 9.159 -20.258 0.185 0.010
+ATOM 17 CB ALA 9 9.044 -20.802 -0.352 0.002
+ATOM 18 CA ALA 10 11.565 -23.076 0.794 0.011
+ATOM 19 CB ALA 10 11.940 -23.470 0.266 0.064
+ATOM 20 CA ALA 11 12.804 -23.124 4.359 0.037
+ATOM 21 CB ALA 11 12.508 -23.565 4.903 0.002
+ATOM 22 CA ALA 12 16.349 -22.391 3.228 0.008
+ATOM 23 CB ALA 12 16.968 -22.645 2.818 0.075
+ATOM 24 CA ALA 13 17.504 -18.740 2.960 0.025
+ATOM 25 CB ALA 13 18.113 -18.596 3.206 0.098
+ATOM 26 CA CYS 14 19.228 -17.343 -0.162 0.011
+ATOM 27 CB CYS 14 18.520 -16.321 -0.398 0.032
+ATOM 28 CA ALA 15 22.569 -15.634 -0.607 0.049
+ATOM 29 CB ALA 15 23.163 -15.905 -0.416 0.127
+ATOM 30 CA ALA 16 24.181 -12.910 -2.767 0.010
+ATOM 31 CB ALA 16 24.076 -12.521 -2.127 0.115
+ATOM 32 CA ALA 17 26.289 -12.865 -6.017 0.043
+ATOM 33 CB ALA 17 25.792 -13.442 -6.177 0.114
+ATOM 34 CA GLY 18 26.497 -9.728 -8.176 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2368.81 ENERGY -8.91137E+00
+REMARK time 2519.41 ENERGY -1.04075E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.146 5.283 0.839 0.008
-ATOM 2 CA ALA 2 1.791 2.235 -0.360 0.034
-ATOM 3 CB ALA 2 2.478 1.964 -0.716 0.069
-ATOM 4 CA ALA 3 0.685 -1.397 -0.490 0.023
-ATOM 5 CB ALA 3 0.421 -1.225 -1.168 0.071
-ATOM 6 CA ALA 4 2.723 -4.275 0.987 0.019
-ATOM 7 CB ALA 4 2.957 -4.813 1.382 0.017
-ATOM 8 CA CYS 5 6.307 -4.609 -0.159 0.012
-ATOM 9 CB CYS 5 7.069 -3.999 0.561 0.002
-ATOM 10 CA ALA 6 8.261 -7.824 0.608 0.022
-ATOM 11 CB ALA 6 7.842 -8.048 0.101 0.135
-ATOM 12 CA ALA 7 11.929 -8.645 1.318 0.047
-ATOM 13 CB ALA 7 11.974 -8.474 2.015 0.166
-ATOM 14 CA ALA 8 14.173 -10.805 -0.832 0.106
-ATOM 15 CB ALA 8 14.388 -10.319 -1.407 0.166
-ATOM 16 CA ALA 9 16.948 -13.165 0.071 0.024
-ATOM 17 CB ALA 9 16.563 -13.644 0.514 0.056
-ATOM 18 CA ALA 10 19.223 -14.985 -2.351 0.041
-ATOM 19 CB ALA 10 19.904 -14.915 -2.352 0.059
-ATOM 20 CA ALA 11 19.591 -18.729 -2.770 0.021
-ATOM 21 CB ALA 11 19.786 -18.895 -3.471 0.007
-ATOM 22 CA ALA 12 21.872 -21.145 -0.879 0.036
-ATOM 23 CB ALA 12 22.053 -21.702 -0.300 0.054
-ATOM 24 CA ALA 13 24.330 -23.850 -2.056 0.027
-ATOM 25 CB ALA 13 24.873 -23.733 -2.390 0.076
-ATOM 26 CA CYS 14 25.947 -26.629 -0.037 0.007
-ATOM 27 CB CYS 14 25.812 -27.717 -0.675 0.080
-ATOM 28 CA ALA 15 29.723 -26.719 0.595 0.009
-ATOM 29 CB ALA 15 29.856 -26.298 1.243 0.069
-ATOM 30 CA ALA 16 32.548 -29.198 0.839 0.028
-ATOM 31 CB ALA 16 33.252 -28.905 0.616 0.049
-ATOM 32 CA ALA 17 33.789 -31.327 3.740 0.028
-ATOM 33 CB ALA 17 33.355 -31.888 3.973 0.004
-ATOM 34 CA GLY 18 37.156 -32.978 2.902 0.000
+ATOM 1 CA GLY 1 23.429 -3.359 3.182 0.017
+ATOM 2 CA ALA 2 21.760 -6.338 1.489 0.022
+ATOM 3 CB ALA 2 22.022 -6.900 1.933 0.020
+ATOM 4 CA ALA 3 18.189 -6.695 0.306 0.055
+ATOM 5 CB ALA 3 17.721 -6.892 -0.250 0.056
+ATOM 6 CA ALA 4 15.649 -9.240 1.623 0.044
+ATOM 7 CB ALA 4 14.971 -9.104 1.901 0.019
+ATOM 8 CA CYS 5 15.006 -12.515 -0.240 0.013
+ATOM 9 CB CYS 5 15.704 -13.438 0.040 0.092
+ATOM 10 CA ALA 6 12.520 -13.026 -3.100 0.006
+ATOM 11 CB ALA 6 12.420 -12.564 -3.669 0.055
+ATOM 12 CA ALA 7 13.570 -16.587 -3.453 0.030
+ATOM 13 CB ALA 7 13.900 -17.168 -3.144 0.019
+ATOM 14 CA ALA 8 11.573 -17.549 -0.288 0.039
+ATOM 15 CB ALA 8 11.034 -17.101 -0.484 0.134
+ATOM 16 CA ALA 9 9.727 -20.723 -1.264 0.000
+ATOM 17 CB ALA 9 9.782 -20.606 -2.068 0.015
+ATOM 18 CA ALA 10 12.546 -23.077 -0.122 0.012
+ATOM 19 CB ALA 10 13.257 -23.111 -0.367 0.059
+ATOM 20 CA ALA 11 13.038 -24.145 3.470 0.026
+ATOM 21 CB ALA 11 12.815 -24.821 3.319 0.051
+ATOM 22 CA ALA 12 16.431 -22.505 3.645 0.058
+ATOM 23 CB ALA 12 16.720 -22.719 3.090 0.084
+ATOM 24 CA ALA 13 17.790 -19.092 4.792 0.078
+ATOM 25 CB ALA 13 18.251 -19.422 5.203 0.097
+ATOM 26 CA CYS 14 18.718 -16.542 2.131 0.035
+ATOM 27 CB CYS 14 17.827 -16.172 1.314 0.005
+ATOM 28 CA ALA 15 21.832 -15.504 0.177 0.060
+ATOM 29 CB ALA 15 22.292 -16.084 0.183 0.253
+ATOM 30 CA ALA 16 22.656 -12.314 -1.695 0.011
+ATOM 31 CB ALA 16 23.297 -11.911 -1.560 0.139
+ATOM 32 CA ALA 17 23.035 -11.969 -5.403 0.016
+ATOM 33 CB ALA 17 22.366 -11.599 -5.486 0.037
+ATOM 34 CA GLY 18 26.508 -12.470 -6.981 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2394.60 ENERGY 3.37512E+00
+REMARK time 2542.51 ENERGY 1.04774E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.093 2.852 -2.074 0.014
-ATOM 2 CA ALA 2 1.847 1.406 -0.120 0.054
-ATOM 3 CB ALA 2 1.781 1.406 0.539 0.069
-ATOM 4 CA ALA 3 3.431 -1.768 -1.557 0.024
-ATOM 5 CB ALA 3 3.653 -2.121 -2.212 0.098
-ATOM 6 CA ALA 4 5.849 -2.984 1.103 0.033
-ATOM 7 CB ALA 4 5.486 -2.920 1.781 0.125
-ATOM 8 CA CYS 5 7.405 -6.350 0.088 0.012
-ATOM 9 CB CYS 5 7.959 -6.208 -1.034 0.066
-ATOM 10 CA ALA 6 8.237 -9.290 2.450 0.022
-ATOM 11 CB ALA 6 7.603 -9.623 2.502 0.026
-ATOM 12 CA ALA 7 11.763 -10.595 2.179 0.038
-ATOM 13 CB ALA 7 12.114 -11.191 2.593 0.107
-ATOM 14 CA ALA 8 13.442 -10.989 -1.279 0.058
-ATOM 15 CB ALA 8 13.144 -10.236 -1.283 0.023
-ATOM 16 CA ALA 9 16.639 -12.687 -0.303 0.042
-ATOM 17 CB ALA 9 17.214 -12.997 -0.022 0.055
-ATOM 18 CA ALA 10 17.816 -16.018 -1.682 0.053
-ATOM 19 CB ALA 10 17.964 -15.975 -2.431 0.040
-ATOM 20 CA ALA 11 19.869 -18.707 0.092 0.018
-ATOM 21 CB ALA 11 19.412 -19.183 0.069 0.094
-ATOM 22 CA ALA 12 23.606 -19.097 -0.547 0.015
-ATOM 23 CB ALA 12 23.961 -19.115 0.061 0.070
-ATOM 24 CA ALA 13 24.627 -22.057 -2.626 0.039
-ATOM 25 CB ALA 13 25.171 -22.165 -3.147 0.019
-ATOM 26 CA CYS 14 25.766 -25.198 -0.867 0.020
-ATOM 27 CB CYS 14 25.294 -26.338 -0.927 0.037
-ATOM 28 CA ALA 15 29.522 -25.771 -0.655 0.006
-ATOM 29 CB ALA 15 29.793 -25.131 -0.513 0.029
-ATOM 30 CA ALA 16 30.886 -29.229 0.151 0.014
-ATOM 31 CB ALA 16 31.190 -29.285 -0.484 0.013
-ATOM 32 CA ALA 17 31.459 -30.581 3.701 0.038
-ATOM 33 CB ALA 17 30.823 -30.512 4.034 0.017
-ATOM 34 CA GLY 18 34.976 -32.016 3.856 0.000
+ATOM 1 CA GLY 1 24.089 -1.966 0.697 0.015
+ATOM 2 CA ALA 2 21.708 -4.487 2.060 0.028
+ATOM 3 CB ALA 2 21.204 -4.100 2.684 0.030
+ATOM 4 CA ALA 3 18.470 -5.535 0.315 0.009
+ATOM 5 CB ALA 3 18.633 -5.317 -0.429 0.061
+ATOM 6 CA ALA 4 16.351 -8.584 1.269 0.079
+ATOM 7 CB ALA 4 15.963 -8.165 0.900 0.146
+ATOM 8 CA CYS 5 15.821 -11.992 -0.412 0.025
+ATOM 9 CB CYS 5 16.457 -12.831 0.291 0.026
+ATOM 10 CA ALA 6 12.989 -13.438 -2.388 0.006
+ATOM 11 CB ALA 6 12.727 -12.774 -2.788 0.063
+ATOM 12 CA ALA 7 13.026 -17.189 -3.212 0.012
+ATOM 13 CB ALA 7 12.929 -17.842 -3.171 0.034
+ATOM 14 CA ALA 8 11.360 -18.147 0.106 0.025
+ATOM 15 CB ALA 8 11.131 -17.780 0.638 0.025
+ATOM 16 CA ALA 9 9.388 -21.080 -1.420 0.003
+ATOM 17 CB ALA 9 8.952 -20.961 -1.957 0.052
+ATOM 18 CA ALA 10 12.213 -23.494 -0.758 0.004
+ATOM 19 CB ALA 10 12.837 -23.534 -1.153 0.037
+ATOM 20 CA ALA 11 13.081 -25.161 2.526 0.017
+ATOM 21 CB ALA 11 13.186 -25.957 2.433 0.003
+ATOM 22 CA ALA 12 16.143 -22.981 3.257 0.044
+ATOM 23 CB ALA 12 16.571 -22.878 2.700 0.024
+ATOM 24 CA ALA 13 17.308 -19.600 4.774 0.066
+ATOM 25 CB ALA 13 17.344 -19.889 5.350 0.097
+ATOM 26 CA CYS 14 18.466 -16.849 2.446 0.033
+ATOM 27 CB CYS 14 17.852 -16.092 1.725 0.003
+ATOM 28 CA ALA 15 21.973 -15.733 1.279 0.029
+ATOM 29 CB ALA 15 22.481 -16.254 1.394 0.012
+ATOM 30 CA ALA 16 22.228 -13.332 -1.615 0.011
+ATOM 31 CB ALA 16 22.074 -12.686 -2.012 0.038
+ATOM 32 CA ALA 17 24.214 -13.041 -4.894 0.034
+ATOM 33 CB ALA 17 24.130 -13.567 -5.498 0.031
+ATOM 34 CA GLY 18 24.253 -10.246 -7.518 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2421.60 ENERGY -7.80706E-01
+REMARK time 2569.98 ENERGY -9.23067E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.937 0.999 -4.107 0.033
-ATOM 2 CA ALA 2 1.283 -0.935 -1.789 0.013
-ATOM 3 CB ALA 2 1.181 -1.723 -1.913 0.056
-ATOM 4 CA ALA 3 4.504 0.265 -0.329 0.007
-ATOM 5 CB ALA 3 4.939 0.833 -0.118 0.200
-ATOM 6 CA ALA 4 6.834 -2.038 1.609 0.016
-ATOM 7 CB ALA 4 7.093 -1.828 2.330 0.046
-ATOM 8 CA CYS 5 6.041 -5.685 1.294 0.071
-ATOM 9 CB CYS 5 6.452 -5.542 0.150 0.014
-ATOM 10 CA ALA 6 8.182 -8.544 2.538 0.013
-ATOM 11 CB ALA 6 7.815 -9.035 3.004 0.141
-ATOM 12 CA ALA 7 11.513 -10.111 1.691 0.019
-ATOM 13 CB ALA 7 12.101 -9.956 2.228 0.212
-ATOM 14 CA ALA 8 11.634 -13.344 -0.298 0.034
-ATOM 15 CB ALA 8 11.909 -13.398 -1.022 0.012
-ATOM 16 CA ALA 9 15.367 -13.535 -1.022 0.015
-ATOM 17 CB ALA 9 15.706 -12.889 -0.976 0.019
-ATOM 18 CA ALA 10 17.518 -16.554 -1.365 0.034
-ATOM 19 CB ALA 10 17.205 -17.083 -1.741 0.077
-ATOM 20 CA ALA 11 21.132 -17.056 -0.120 0.012
-ATOM 21 CB ALA 11 21.236 -17.277 0.600 0.033
-ATOM 22 CA ALA 12 23.802 -18.263 -2.485 0.006
-ATOM 23 CB ALA 12 24.169 -17.668 -2.260 0.074
-ATOM 24 CA ALA 13 25.194 -21.850 -2.363 0.004
-ATOM 25 CB ALA 13 25.047 -21.998 -3.037 0.100
-ATOM 26 CA CYS 14 28.162 -23.331 -0.459 0.008
-ATOM 27 CB CYS 14 28.033 -23.328 0.724 0.080
-ATOM 28 CA ALA 15 29.735 -26.764 -1.119 0.019
-ATOM 29 CB ALA 15 30.091 -26.376 -1.632 0.025
-ATOM 30 CA ALA 16 29.570 -30.131 0.656 0.004
-ATOM 31 CB ALA 16 29.370 -30.517 0.085 0.081
-ATOM 32 CA ALA 17 31.722 -31.786 3.313 0.010
-ATOM 33 CB ALA 17 31.184 -31.642 3.872 0.166
-ATOM 34 CA GLY 18 32.949 -35.389 3.260 0.000
+ATOM 1 CA GLY 1 19.168 -0.605 1.745 0.027
+ATOM 2 CA ALA 2 20.470 -4.212 1.503 0.008
+ATOM 3 CB ALA 2 20.321 -4.409 2.169 0.048
+ATOM 4 CA ALA 3 19.429 -7.199 -0.731 0.032
+ATOM 5 CB ALA 3 19.812 -7.768 -0.979 0.001
+ATOM 6 CA ALA 4 17.231 -10.047 0.784 0.115
+ATOM 7 CB ALA 4 16.666 -9.627 1.045 0.112
+ATOM 8 CA CYS 5 16.055 -13.336 -0.716 0.010
+ATOM 9 CB CYS 5 16.362 -14.443 -0.337 0.009
+ATOM 10 CA ALA 6 12.351 -13.002 -1.252 0.028
+ATOM 11 CB ALA 6 12.169 -12.339 -1.595 0.124
+ATOM 12 CA ALA 7 12.106 -16.578 -2.384 0.024
+ATOM 13 CB ALA 7 12.453 -17.222 -2.618 0.138
+ATOM 14 CA ALA 8 10.358 -17.563 0.832 0.023
+ATOM 15 CB ALA 8 9.805 -17.513 1.280 0.009
+ATOM 16 CA ALA 9 8.738 -20.434 -1.023 0.059
+ATOM 17 CB ALA 9 8.469 -20.201 -1.655 0.045
+ATOM 18 CA ALA 10 11.489 -22.919 0.068 0.001
+ATOM 19 CB ALA 10 12.208 -22.732 0.185 0.042
+ATOM 20 CA ALA 11 12.364 -23.838 3.611 0.031
+ATOM 21 CB ALA 11 12.243 -24.465 4.071 0.044
+ATOM 22 CA ALA 12 16.075 -22.864 3.331 0.022
+ATOM 23 CB ALA 12 16.373 -22.932 2.590 0.084
+ATOM 24 CA ALA 13 18.138 -19.655 3.454 0.033
+ATOM 25 CB ALA 13 18.636 -19.484 3.957 0.061
+ATOM 26 CA CYS 14 19.155 -17.697 0.317 0.005
+ATOM 27 CB CYS 14 18.112 -17.308 -0.256 0.052
+ATOM 28 CA ALA 15 22.610 -16.173 -0.082 0.059
+ATOM 29 CB ALA 15 22.852 -16.734 -0.436 0.029
+ATOM 30 CA ALA 16 23.536 -12.773 -1.509 0.031
+ATOM 31 CB ALA 16 23.814 -12.813 -0.827 0.088
+ATOM 32 CA ALA 17 24.944 -11.454 -4.831 0.074
+ATOM 33 CB ALA 17 24.536 -10.918 -5.201 0.003
+ATOM 34 CA GLY 18 28.368 -10.006 -4.136 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2444.00 ENERGY 3.33930E+00
+REMARK time 2596.26 ENERGY 1.32792E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 2.593 1.829 -4.763 0.075
-ATOM 2 CA ALA 2 0.901 -0.584 -2.329 0.042
-ATOM 3 CB ALA 2 1.261 -1.156 -2.745 0.039
-ATOM 4 CA ALA 3 1.831 0.166 1.201 0.032
-ATOM 5 CB ALA 3 1.456 0.420 1.735 0.011
-ATOM 6 CA ALA 4 5.236 -1.443 1.728 0.029
-ATOM 7 CB ALA 4 5.711 -1.088 2.107 0.047
-ATOM 8 CA CYS 5 6.595 -4.971 2.074 0.022
-ATOM 9 CB CYS 5 5.540 -5.687 1.833 0.017
-ATOM 10 CA ALA 6 8.985 -6.771 -0.175 0.024
-ATOM 11 CB ALA 6 9.725 -6.863 -0.026 0.120
-ATOM 12 CA ALA 7 9.847 -10.193 1.153 0.039
-ATOM 13 CB ALA 7 9.131 -10.580 1.064 0.041
-ATOM 14 CA ALA 8 13.074 -12.118 0.966 0.058
-ATOM 15 CB ALA 8 12.977 -12.544 1.654 0.138
-ATOM 16 CA ALA 9 14.815 -13.996 -1.766 0.010
-ATOM 17 CB ALA 9 15.006 -13.342 -2.100 0.047
-ATOM 18 CA ALA 10 17.321 -16.887 -1.814 0.018
-ATOM 19 CB ALA 10 17.071 -17.384 -2.352 0.054
-ATOM 20 CA ALA 11 21.014 -16.880 -1.279 0.031
-ATOM 21 CB ALA 11 21.464 -16.822 -0.676 0.029
-ATOM 22 CA ALA 12 23.826 -19.315 -2.073 0.009
-ATOM 23 CB ALA 12 24.389 -18.855 -2.331 0.034
-ATOM 24 CA ALA 13 25.255 -22.477 -0.466 0.056
-ATOM 25 CB ALA 13 24.775 -22.999 -0.531 0.114
-ATOM 26 CA CYS 14 28.870 -23.708 -0.253 0.033
-ATOM 27 CB CYS 14 29.521 -23.325 0.702 0.015
-ATOM 28 CA ALA 15 30.776 -26.981 -0.738 0.009
-ATOM 29 CB ALA 15 30.868 -26.574 -1.281 0.047
-ATOM 30 CA ALA 16 32.180 -29.701 1.539 0.018
-ATOM 31 CB ALA 16 32.049 -29.742 2.302 0.087
-ATOM 32 CA ALA 17 31.547 -33.413 1.185 0.023
-ATOM 33 CB ALA 17 31.930 -33.951 0.927 0.062
-ATOM 34 CA GLY 18 29.580 -35.727 3.449 0.000
+ATOM 1 CA GLY 1 21.630 -2.216 2.695 0.041
+ATOM 2 CA ALA 2 19.930 -5.279 1.001 0.018
+ATOM 3 CB ALA 2 20.181 -5.942 0.960 0.118
+ATOM 4 CA ALA 3 16.696 -6.900 -0.107 0.037
+ATOM 5 CB ALA 3 16.438 -6.794 -0.784 0.014
+ATOM 6 CA ALA 4 14.486 -9.960 0.409 0.022
+ATOM 7 CB ALA 4 13.846 -9.556 0.352 0.171
+ATOM 8 CA CYS 5 15.346 -13.124 -1.566 0.004
+ATOM 9 CB CYS 5 15.764 -14.251 -1.029 0.061
+ATOM 10 CA ALA 6 12.360 -13.973 -3.673 0.024
+ATOM 11 CB ALA 6 12.122 -13.774 -4.395 0.099
+ATOM 12 CA ALA 7 12.309 -17.512 -2.090 0.010
+ATOM 13 CB ALA 7 12.736 -18.115 -2.346 0.070
+ATOM 14 CA ALA 8 11.454 -16.792 1.599 0.030
+ATOM 15 CB ALA 8 11.715 -16.261 1.907 0.038
+ATOM 16 CA ALA 9 8.413 -19.053 1.642 0.017
+ATOM 17 CB ALA 9 7.705 -18.952 1.426 0.064
+ATOM 18 CA ALA 10 10.390 -22.254 1.734 0.012
+ATOM 19 CB ALA 10 10.693 -22.305 1.072 0.034
+ATOM 20 CA ALA 11 13.393 -22.669 4.103 0.011
+ATOM 21 CB ALA 11 13.498 -23.217 4.635 0.035
+ATOM 22 CA ALA 12 15.853 -22.934 1.114 0.001
+ATOM 23 CB ALA 12 15.585 -23.195 0.544 0.044
+ATOM 24 CA ALA 13 19.131 -20.937 1.074 0.034
+ATOM 25 CB ALA 13 19.685 -21.439 1.220 0.074
+ATOM 26 CA CYS 14 19.484 -17.426 -0.119 0.007
+ATOM 27 CB CYS 14 18.518 -16.646 -0.220 0.076
+ATOM 28 CA ALA 15 23.075 -16.361 0.502 0.026
+ATOM 29 CB ALA 15 23.532 -16.486 -0.053 0.008
+ATOM 30 CA ALA 16 24.535 -12.999 -0.584 0.004
+ATOM 31 CB ALA 16 24.785 -12.558 -0.051 0.124
+ATOM 32 CA ALA 17 26.802 -11.804 -3.395 0.012
+ATOM 33 CB ALA 17 26.887 -11.825 -4.195 0.132
+ATOM 34 CA GLY 18 28.661 -8.535 -2.990 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2466.83 ENERGY -9.80012E-01
+REMARK time 2626.26 ENERGY -1.35761E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.113 2.667 -2.082 0.003
-ATOM 2 CA ALA 2 0.641 2.342 -2.092 0.014
-ATOM 3 CB ALA 2 1.026 2.339 -1.495 0.027
-ATOM 4 CA ALA 3 2.505 -0.985 -2.177 0.006
-ATOM 5 CB ALA 3 2.665 -1.111 -2.915 0.049
-ATOM 6 CA ALA 4 3.872 -1.953 1.234 0.038
-ATOM 7 CB ALA 4 3.462 -1.583 1.779 0.074
-ATOM 8 CA CYS 5 5.826 -5.117 2.110 0.010
-ATOM 9 CB CYS 5 4.989 -5.792 2.869 0.033
-ATOM 10 CA ALA 6 9.230 -6.187 0.910 0.024
-ATOM 11 CB ALA 6 9.961 -6.117 0.673 0.077
-ATOM 12 CA ALA 7 10.637 -9.728 0.601 0.051
-ATOM 13 CB ALA 7 10.307 -9.997 0.046 0.042
-ATOM 14 CA ALA 8 14.178 -10.954 -0.144 0.047
-ATOM 15 CB ALA 8 14.657 -10.943 0.382 0.045
-ATOM 16 CA ALA 9 15.660 -13.964 -1.927 0.042
-ATOM 17 CB ALA 9 16.207 -13.580 -1.769 0.186
-ATOM 18 CA ALA 10 18.010 -16.350 -0.174 0.026
-ATOM 19 CB ALA 10 18.284 -16.882 0.192 0.088
-ATOM 20 CA ALA 11 21.542 -17.388 -1.159 0.027
-ATOM 21 CB ALA 11 22.221 -17.209 -0.852 0.075
-ATOM 22 CA ALA 12 23.047 -20.767 -1.080 0.001
-ATOM 23 CB ALA 12 22.880 -21.080 -1.797 0.075
-ATOM 24 CA ALA 13 25.599 -22.538 0.967 0.013
-ATOM 25 CB ALA 13 25.148 -22.836 1.461 0.025
-ATOM 26 CA CYS 14 28.812 -24.049 -0.451 0.012
-ATOM 27 CB CYS 14 29.827 -23.362 -0.313 0.021
-ATOM 28 CA ALA 15 29.603 -27.801 -0.919 0.022
-ATOM 29 CB ALA 15 29.501 -27.631 -1.649 0.082
-ATOM 30 CA ALA 16 31.235 -30.422 1.268 0.020
-ATOM 31 CB ALA 16 31.129 -30.202 1.983 0.068
-ATOM 32 CA ALA 17 32.633 -33.905 0.657 0.053
-ATOM 33 CB ALA 17 33.311 -33.642 0.456 0.036
-ATOM 34 CA GLY 18 32.210 -36.523 3.325 0.000
+ATOM 1 CA GLY 1 19.764 -1.736 2.375 0.011
+ATOM 2 CA ALA 2 20.934 -5.346 2.232 0.059
+ATOM 3 CB ALA 2 20.971 -5.925 2.699 0.012
+ATOM 4 CA ALA 3 19.050 -7.136 -0.526 0.044
+ATOM 5 CB ALA 3 19.773 -7.365 -0.633 0.157
+ATOM 6 CA ALA 4 16.010 -9.404 -0.757 0.016
+ATOM 7 CB ALA 4 15.622 -8.778 -0.765 0.108
+ATOM 8 CA CYS 5 15.344 -13.046 -1.903 0.012
+ATOM 9 CB CYS 5 16.100 -14.099 -1.881 0.021
+ATOM 10 CA ALA 6 11.750 -13.835 -2.871 0.012
+ATOM 11 CB ALA 6 11.300 -13.596 -3.368 0.046
+ATOM 12 CA ALA 7 12.302 -17.498 -2.358 0.017
+ATOM 13 CB ALA 7 12.868 -17.887 -2.554 0.084
+ATOM 14 CA ALA 8 12.319 -17.189 1.414 0.026
+ATOM 15 CB ALA 8 12.289 -16.563 1.817 0.200
+ATOM 16 CA ALA 9 8.957 -18.913 1.725 0.005
+ATOM 17 CB ALA 9 8.452 -18.973 1.205 0.117
+ATOM 18 CA ALA 10 10.750 -22.261 1.898 0.031
+ATOM 19 CB ALA 10 11.364 -22.426 1.554 0.005
+ATOM 20 CA ALA 11 12.932 -24.313 4.243 0.013
+ATOM 21 CB ALA 11 12.752 -25.158 4.331 0.082
+ATOM 22 CA ALA 12 16.141 -23.529 2.394 0.030
+ATOM 23 CB ALA 12 15.914 -23.740 1.622 0.024
+ATOM 24 CA ALA 13 18.470 -20.475 2.100 0.012
+ATOM 25 CB ALA 13 19.036 -20.775 2.447 0.015
+ATOM 26 CA CYS 14 18.998 -17.756 -0.472 0.027
+ATOM 27 CB CYS 14 18.112 -17.082 -0.817 0.070
+ATOM 28 CA ALA 15 21.719 -15.155 -0.534 0.033
+ATOM 29 CB ALA 15 22.274 -15.621 -0.253 0.138
+ATOM 30 CA ALA 16 22.632 -12.487 -3.036 0.033
+ATOM 31 CB ALA 16 22.053 -12.000 -2.918 0.010
+ATOM 32 CA ALA 17 26.347 -11.407 -2.793 0.035
+ATOM 33 CB ALA 17 26.613 -11.366 -3.486 0.100
+ATOM 34 CA GLY 18 27.957 -9.010 -0.295 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2494.87 ENERGY -5.51062E+00
+REMARK time 2654.88 ENERGY 3.20119E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.845 3.766 -2.568 0.031
-ATOM 2 CA ALA 2 -0.588 2.376 -1.162 0.009
-ATOM 3 CB ALA 2 -0.530 2.529 -0.457 0.037
-ATOM 4 CA ALA 3 1.554 -0.834 -1.434 0.011
-ATOM 5 CB ALA 3 1.733 -1.165 -2.065 0.050
-ATOM 6 CA ALA 4 4.265 -1.967 1.049 0.009
-ATOM 7 CB ALA 4 3.890 -1.505 1.461 0.007
-ATOM 8 CA CYS 5 5.950 -5.358 1.140 0.048
-ATOM 9 CB CYS 5 5.446 -6.480 1.367 0.041
-ATOM 10 CA ALA 6 9.475 -5.802 -0.192 0.064
-ATOM 11 CB ALA 6 9.989 -5.361 0.171 0.017
-ATOM 12 CA ALA 7 11.364 -8.971 -1.159 0.016
-ATOM 13 CB ALA 7 11.905 -8.920 -1.610 0.049
-ATOM 14 CA ALA 8 13.688 -11.248 0.682 0.032
-ATOM 15 CB ALA 8 13.640 -12.062 0.597 0.298
-ATOM 16 CA ALA 9 16.835 -13.064 -0.544 0.007
-ATOM 17 CB ALA 9 16.801 -12.591 -1.159 0.205
-ATOM 18 CA ALA 10 18.954 -15.743 1.028 0.055
-ATOM 19 CB ALA 10 18.967 -16.463 1.225 0.060
-ATOM 20 CA ALA 11 22.387 -16.943 -0.036 0.014
-ATOM 21 CB ALA 11 22.857 -16.389 0.186 0.040
-ATOM 22 CA ALA 12 23.482 -20.269 -1.488 0.059
-ATOM 23 CB ALA 12 23.880 -20.416 -2.035 0.042
-ATOM 24 CA ALA 13 24.514 -23.421 0.459 0.031
-ATOM 25 CB ALA 13 24.073 -23.658 0.961 0.110
-ATOM 26 CA CYS 14 27.491 -25.572 -0.569 0.002
-ATOM 27 CB CYS 14 28.550 -24.843 -0.778 0.032
-ATOM 28 CA ALA 15 28.164 -29.056 0.779 0.029
-ATOM 29 CB ALA 15 27.895 -29.482 0.164 0.108
-ATOM 30 CA ALA 16 31.349 -30.781 2.027 0.011
-ATOM 31 CB ALA 16 31.375 -30.977 2.700 0.041
-ATOM 32 CA ALA 17 33.678 -32.741 -0.442 0.034
-ATOM 33 CB ALA 17 34.225 -32.635 -0.893 0.063
-ATOM 34 CA GLY 18 34.914 -35.559 1.867 0.000
+ATOM 1 CA GLY 1 21.210 -2.054 0.919 0.012
+ATOM 2 CA ALA 2 21.520 -5.765 1.528 0.026
+ATOM 3 CB ALA 2 21.968 -6.244 1.924 0.050
+ATOM 4 CA ALA 3 18.350 -7.372 0.451 0.042
+ATOM 5 CB ALA 3 18.471 -7.783 -0.104 0.008
+ATOM 6 CA ALA 4 16.298 -9.942 2.382 0.001
+ATOM 7 CB ALA 4 16.133 -9.294 2.675 0.128
+ATOM 8 CA CYS 5 15.581 -13.252 0.654 0.009
+ATOM 9 CB CYS 5 16.737 -13.700 0.588 0.022
+ATOM 10 CA ALA 6 13.122 -13.304 -2.285 0.028
+ATOM 11 CB ALA 6 12.833 -12.768 -2.666 0.011
+ATOM 12 CA ALA 7 13.651 -17.012 -2.569 0.013
+ATOM 13 CB ALA 7 14.348 -17.173 -2.388 0.078
+ATOM 14 CA ALA 8 11.297 -17.665 0.198 0.002
+ATOM 15 CB ALA 8 10.652 -17.203 0.194 0.043
+ATOM 16 CA ALA 9 9.003 -20.251 -1.324 0.005
+ATOM 17 CB ALA 9 9.059 -20.352 -2.081 0.097
+ATOM 18 CA ALA 10 10.795 -23.187 0.324 0.013
+ATOM 19 CB ALA 10 11.423 -23.586 0.462 0.027
+ATOM 20 CA ALA 11 12.348 -22.675 3.771 0.011
+ATOM 21 CB ALA 11 12.062 -22.865 4.443 0.036
+ATOM 22 CA ALA 12 16.083 -23.034 3.967 0.007
+ATOM 23 CB ALA 12 16.299 -23.728 3.766 0.066
+ATOM 24 CA ALA 13 18.163 -19.972 3.100 0.029
+ATOM 25 CB ALA 13 18.719 -19.738 3.604 0.059
+ATOM 26 CA CYS 14 18.870 -17.943 -0.001 0.114
+ATOM 27 CB CYS 14 18.337 -16.897 -0.111 0.015
+ATOM 28 CA ALA 15 21.678 -16.205 -1.774 0.063
+ATOM 29 CB ALA 15 21.988 -16.878 -1.873 0.047
+ATOM 30 CA ALA 16 22.499 -12.587 -2.452 0.046
+ATOM 31 CB ALA 16 22.913 -11.963 -2.210 0.230
+ATOM 32 CA ALA 17 24.278 -10.582 -5.183 0.019
+ATOM 33 CB ALA 17 23.831 -10.106 -5.488 0.053
+ATOM 34 CA GLY 18 26.894 -8.845 -3.016 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2518.87 ENERGY 9.50332E+00
+REMARK time 2684.69 ENERGY -6.29518E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.772 3.429 -2.083 0.002
-ATOM 2 CA ALA 2 0.520 1.625 -1.464 0.006
-ATOM 3 CB ALA 2 0.995 2.108 -1.095 0.044
-ATOM 4 CA ALA 3 1.956 -1.847 -0.927 0.001
-ATOM 5 CB ALA 3 2.563 -2.164 -1.176 0.009
-ATOM 6 CA ALA 4 4.246 -2.652 1.928 0.039
-ATOM 7 CB ALA 4 4.083 -2.605 2.629 0.028
-ATOM 8 CA CYS 5 5.793 -5.954 0.856 0.001
-ATOM 9 CB CYS 5 4.950 -6.089 -0.048 0.001
-ATOM 10 CA ALA 6 9.114 -6.112 -0.984 0.013
-ATOM 11 CB ALA 6 9.633 -5.506 -0.843 0.027
-ATOM 12 CA ALA 7 11.630 -8.925 -1.134 0.003
-ATOM 13 CB ALA 7 11.678 -9.061 -1.880 0.044
-ATOM 14 CA ALA 8 14.317 -10.641 1.043 0.010
-ATOM 15 CB ALA 8 14.113 -10.926 1.731 0.073
-ATOM 16 CA ALA 9 17.402 -12.149 -0.727 0.008
-ATOM 17 CB ALA 9 17.674 -11.488 -0.859 0.149
-ATOM 18 CA ALA 10 18.667 -15.681 -1.115 0.014
-ATOM 19 CB ALA 10 18.646 -16.076 -1.675 0.046
-ATOM 20 CA ALA 11 21.529 -17.130 0.806 0.010
-ATOM 21 CB ALA 11 21.525 -17.418 1.505 0.017
-ATOM 22 CA ALA 12 23.420 -20.030 -0.637 0.134
-ATOM 23 CB ALA 12 23.956 -20.102 -1.193 0.055
-ATOM 24 CA ALA 13 24.636 -22.984 1.489 0.008
-ATOM 25 CB ALA 13 24.101 -23.051 1.921 0.009
-ATOM 26 CA CYS 14 27.170 -25.613 0.478 0.006
-ATOM 27 CB CYS 14 28.097 -24.899 -0.129 0.069
-ATOM 28 CA ALA 15 27.791 -29.262 0.726 0.027
-ATOM 29 CB ALA 15 27.246 -29.604 1.145 0.050
-ATOM 30 CA ALA 16 31.055 -30.910 1.781 0.040
-ATOM 31 CB ALA 16 31.173 -31.150 2.375 0.185
-ATOM 32 CA ALA 17 32.700 -33.006 -0.831 0.014
-ATOM 33 CB ALA 17 32.929 -32.542 -1.404 0.118
-ATOM 34 CA GLY 18 36.470 -33.120 -0.260 0.000
+ATOM 1 CA GLY 1 21.792 -1.818 4.500 0.026
+ATOM 2 CA ALA 2 21.323 -5.518 3.706 0.004
+ATOM 3 CB ALA 2 21.503 -6.052 4.222 0.049
+ATOM 4 CA ALA 3 18.996 -6.826 1.055 0.084
+ATOM 5 CB ALA 3 19.354 -6.946 0.431 0.046
+ATOM 6 CA ALA 4 16.629 -9.799 1.085 0.048
+ATOM 7 CB ALA 4 15.951 -9.640 1.196 0.065
+ATOM 8 CA CYS 5 15.830 -12.936 -0.918 0.056
+ATOM 9 CB CYS 5 16.535 -13.907 -0.819 0.002
+ATOM 10 CA ALA 6 12.255 -12.927 -2.282 0.037
+ATOM 11 CB ALA 6 12.007 -12.367 -2.805 0.086
+ATOM 12 CA ALA 7 12.609 -16.302 -4.093 0.025
+ATOM 13 CB ALA 7 13.159 -16.109 -4.527 0.054
+ATOM 14 CA ALA 8 12.890 -18.075 -0.708 0.020
+ATOM 15 CB ALA 8 13.218 -17.727 -0.264 0.033
+ATOM 16 CA ALA 9 9.723 -19.953 0.147 0.077
+ATOM 17 CB ALA 9 9.268 -19.530 -0.272 0.043
+ATOM 18 CA ALA 10 11.444 -23.298 0.320 0.003
+ATOM 19 CB ALA 10 12.035 -23.678 0.132 0.061
+ATOM 20 CA ALA 11 12.854 -23.781 3.795 0.031
+ATOM 21 CB ALA 11 12.823 -24.220 4.418 0.189
+ATOM 22 CA ALA 12 16.403 -22.800 2.774 0.048
+ATOM 23 CB ALA 12 16.608 -22.678 2.068 0.024
+ATOM 24 CA ALA 13 17.262 -19.142 3.459 0.081
+ATOM 25 CB ALA 13 17.327 -18.805 4.060 0.102
+ATOM 26 CA CYS 14 19.559 -17.705 0.734 0.016
+ATOM 27 CB CYS 14 18.528 -17.251 0.189 0.034
+ATOM 28 CA ALA 15 21.571 -14.430 0.549 0.003
+ATOM 29 CB ALA 15 22.110 -14.591 0.992 0.019
+ATOM 30 CA ALA 16 21.811 -12.184 -2.460 0.003
+ATOM 31 CB ALA 16 21.672 -11.429 -2.381 0.098
+ATOM 32 CA ALA 17 24.670 -12.862 -4.946 0.029
+ATOM 33 CB ALA 17 24.744 -13.571 -4.961 0.090
+ATOM 34 CA GLY 18 22.696 -12.667 -8.108 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2543.95 ENERGY 3.85735E+00
+REMARK time 2714.57 ENERGY -5.09644E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.420 3.840 -3.518 0.019
-ATOM 2 CA ALA 2 0.058 2.517 -0.979 0.010
-ATOM 3 CB ALA 2 -0.046 2.600 -0.222 0.101
-ATOM 4 CA ALA 3 1.868 -0.814 -1.267 0.022
-ATOM 5 CB ALA 3 2.199 -0.863 -1.970 0.043
-ATOM 6 CA ALA 4 3.128 -3.123 1.460 0.005
-ATOM 7 CB ALA 4 2.943 -3.703 1.680 0.023
-ATOM 8 CA CYS 5 5.856 -5.736 1.400 0.013
-ATOM 9 CB CYS 5 5.395 -6.860 1.433 0.017
-ATOM 10 CA ALA 6 9.334 -5.923 -0.020 0.008
-ATOM 11 CB ALA 6 9.783 -5.283 0.219 0.037
-ATOM 12 CA ALA 7 11.397 -8.973 -1.143 0.004
-ATOM 13 CB ALA 7 11.785 -9.197 -1.768 0.105
-ATOM 14 CA ALA 8 14.919 -9.812 0.046 0.020
-ATOM 15 CB ALA 8 14.570 -9.501 0.700 0.062
-ATOM 16 CA ALA 9 17.053 -12.415 -1.797 0.022
-ATOM 17 CB ALA 9 17.219 -11.900 -2.258 0.042
-ATOM 18 CA ALA 10 18.578 -15.506 -0.304 0.010
-ATOM 19 CB ALA 10 18.148 -16.104 -0.317 0.025
-ATOM 20 CA ALA 11 21.895 -17.273 0.274 0.031
-ATOM 21 CB ALA 11 22.072 -17.646 0.917 0.110
-ATOM 22 CA ALA 12 22.821 -20.687 -0.977 0.076
-ATOM 23 CB ALA 12 23.062 -20.623 -1.656 0.013
-ATOM 24 CA ALA 13 23.827 -23.458 1.430 0.018
-ATOM 25 CB ALA 13 23.424 -24.078 1.302 0.122
-ATOM 26 CA CYS 14 27.221 -25.440 1.746 0.034
-ATOM 27 CB CYS 14 28.045 -25.205 2.607 0.032
-ATOM 28 CA ALA 15 28.765 -28.399 -0.154 0.027
-ATOM 29 CB ALA 15 28.577 -28.374 -0.901 0.130
-ATOM 30 CA ALA 16 31.915 -30.454 0.767 0.003
-ATOM 31 CB ALA 16 31.574 -30.234 1.392 0.043
-ATOM 32 CA ALA 17 34.379 -32.987 -0.586 0.016
-ATOM 33 CB ALA 17 34.558 -32.704 0.130 0.099
-ATOM 34 CA GLY 18 34.526 -36.674 -1.052 0.000
+ATOM 1 CA GLY 1 21.223 -2.879 5.945 0.025
+ATOM 2 CA ALA 2 21.035 -6.499 4.898 0.020
+ATOM 3 CB ALA 2 20.695 -6.922 5.399 0.059
+ATOM 4 CA ALA 3 18.966 -7.755 2.081 0.042
+ATOM 5 CB ALA 3 19.348 -7.788 1.412 0.109
+ATOM 6 CA ALA 4 15.691 -9.600 1.706 0.017
+ATOM 7 CB ALA 4 15.159 -9.163 1.979 0.035
+ATOM 8 CA CYS 5 14.854 -12.525 -0.559 0.009
+ATOM 9 CB CYS 5 15.630 -13.480 -0.568 0.027
+ATOM 10 CA ALA 6 11.220 -13.566 -1.286 0.006
+ATOM 11 CB ALA 6 10.932 -12.877 -1.188 0.095
+ATOM 12 CA ALA 7 12.289 -15.964 -4.057 0.068
+ATOM 13 CB ALA 7 12.860 -15.751 -4.372 0.055
+ATOM 14 CA ALA 8 13.257 -18.727 -1.626 0.020
+ATOM 15 CB ALA 8 13.837 -18.628 -1.094 0.033
+ATOM 16 CA ALA 9 9.966 -20.621 -0.911 0.020
+ATOM 17 CB ALA 9 9.739 -20.768 -1.664 0.092
+ATOM 18 CA ALA 10 11.781 -23.299 1.099 0.015
+ATOM 19 CB ALA 10 12.353 -23.110 0.766 0.102
+ATOM 20 CA ALA 11 12.006 -21.700 4.573 0.036
+ATOM 21 CB ALA 11 11.859 -22.025 5.191 0.012
+ATOM 22 CA ALA 12 15.817 -21.323 4.297 0.080
+ATOM 23 CB ALA 12 16.249 -21.740 3.975 0.087
+ATOM 24 CA ALA 13 18.082 -18.490 3.413 0.060
+ATOM 25 CB ALA 13 18.710 -18.271 3.806 0.141
+ATOM 26 CA CYS 14 19.091 -17.051 0.024 0.000
+ATOM 27 CB CYS 14 18.273 -16.240 -0.184 0.021
+ATOM 28 CA ALA 15 22.400 -15.848 -1.514 0.056
+ATOM 29 CB ALA 15 22.972 -16.329 -1.357 0.054
+ATOM 30 CA ALA 16 22.189 -13.333 -4.223 0.010
+ATOM 31 CB ALA 16 22.454 -12.682 -4.162 0.081
+ATOM 32 CA ALA 17 25.298 -12.124 -5.971 0.007
+ATOM 33 CB ALA 17 26.088 -11.927 -5.980 0.012
+ATOM 34 CA GLY 18 26.321 -13.626 -9.333 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2567.96 ENERGY 1.62858E+00
+REMARK time 2740.86 ENERGY 1.33075E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.341 0.675 -4.125 0.010
-ATOM 2 CA ALA 2 0.640 1.741 -2.079 0.013
-ATOM 3 CB ALA 2 0.736 2.063 -1.444 0.020
-ATOM 4 CA ALA 3 3.179 -0.826 -0.777 0.011
-ATOM 5 CB ALA 3 3.361 -0.962 -1.468 0.101
-ATOM 6 CA ALA 4 4.282 -2.030 2.619 0.026
-ATOM 7 CB ALA 4 4.076 -2.473 3.120 0.129
-ATOM 8 CA CYS 5 5.832 -5.199 1.244 0.009
-ATOM 9 CB CYS 5 5.631 -4.806 0.040 0.032
-ATOM 10 CA ALA 6 9.428 -6.227 0.567 0.074
-ATOM 11 CB ALA 6 10.138 -6.110 0.442 0.079
-ATOM 12 CA ALA 7 10.447 -9.795 -0.465 0.049
-ATOM 13 CB ALA 7 10.208 -9.715 -1.184 0.018
-ATOM 14 CA ALA 8 13.387 -11.596 1.155 0.050
-ATOM 15 CB ALA 8 13.110 -12.097 1.661 0.220
-ATOM 16 CA ALA 9 16.610 -12.202 -0.703 0.038
-ATOM 17 CB ALA 9 16.475 -11.531 -0.288 0.024
-ATOM 18 CA ALA 10 18.201 -15.475 -1.500 0.007
-ATOM 19 CB ALA 10 18.296 -15.411 -2.180 0.080
-ATOM 20 CA ALA 11 20.919 -17.620 0.091 0.009
-ATOM 21 CB ALA 11 20.814 -17.554 0.829 0.051
-ATOM 22 CA ALA 12 23.326 -20.304 -0.973 0.021
-ATOM 23 CB ALA 12 24.079 -20.277 -1.296 0.018
-ATOM 24 CA ALA 13 24.214 -23.682 0.601 0.031
-ATOM 25 CB ALA 13 23.770 -23.988 0.165 0.111
-ATOM 26 CA CYS 14 27.939 -24.729 1.073 0.026
-ATOM 27 CB CYS 14 28.789 -24.538 1.866 0.005
-ATOM 28 CA ALA 15 29.056 -28.021 -0.391 0.046
-ATOM 29 CB ALA 15 28.753 -28.230 -1.013 0.088
-ATOM 30 CA ALA 16 31.766 -30.046 1.197 0.021
-ATOM 31 CB ALA 16 32.047 -30.560 1.701 0.089
-ATOM 32 CA ALA 17 32.727 -33.123 -0.806 0.075
-ATOM 33 CB ALA 17 33.378 -33.062 -1.216 0.033
-ATOM 34 CA GLY 18 34.600 -35.431 1.489 0.000
+ATOM 1 CA GLY 1 22.149 -4.762 6.826 0.030
+ATOM 2 CA ALA 2 19.270 -7.155 6.278 0.005
+ATOM 3 CB ALA 2 18.630 -7.054 6.686 0.015
+ATOM 4 CA ALA 3 18.330 -8.497 2.859 0.027
+ATOM 5 CB ALA 3 18.727 -9.071 2.507 0.051
+ATOM 6 CA ALA 4 15.109 -10.078 1.549 0.014
+ATOM 7 CB ALA 4 14.452 -9.612 1.454 0.015
+ATOM 8 CA CYS 5 14.550 -12.626 -1.204 0.024
+ATOM 9 CB CYS 5 15.486 -13.519 -1.094 0.000
+ATOM 10 CA ALA 6 10.991 -13.139 -2.195 0.013
+ATOM 11 CB ALA 6 10.655 -12.692 -2.615 0.019
+ATOM 12 CA ALA 7 11.711 -16.355 -4.243 0.034
+ATOM 13 CB ALA 7 12.309 -15.834 -4.239 0.015
+ATOM 14 CA ALA 8 12.735 -18.180 -1.105 0.009
+ATOM 15 CB ALA 8 13.287 -17.584 -1.244 0.066
+ATOM 16 CA ALA 9 9.777 -20.472 -0.494 0.072
+ATOM 17 CB ALA 9 9.178 -20.730 -0.893 0.095
+ATOM 18 CA ALA 10 11.742 -22.432 2.127 0.068
+ATOM 19 CB ALA 10 12.434 -22.790 2.044 0.027
+ATOM 20 CA ALA 11 13.354 -21.273 5.413 0.053
+ATOM 21 CB ALA 11 12.891 -21.646 5.932 0.061
+ATOM 22 CA ALA 12 17.113 -20.755 4.757 0.132
+ATOM 23 CB ALA 12 17.099 -21.515 4.924 0.046
+ATOM 24 CA ALA 13 18.015 -17.510 2.897 0.049
+ATOM 25 CB ALA 13 18.078 -16.741 3.066 0.022
+ATOM 26 CA CYS 14 19.121 -16.951 -0.663 0.012
+ATOM 27 CB CYS 14 18.221 -16.177 -1.289 0.050
+ATOM 28 CA ALA 15 22.371 -15.063 -1.462 0.027
+ATOM 29 CB ALA 15 23.008 -15.253 -1.371 0.089
+ATOM 30 CA ALA 16 23.270 -13.857 -4.957 0.064
+ATOM 31 CB ALA 16 23.324 -13.321 -5.435 0.080
+ATOM 32 CA ALA 17 26.118 -14.227 -7.452 0.020
+ATOM 33 CB ALA 17 26.021 -14.431 -8.144 0.015
+ATOM 34 CA GLY 18 28.651 -11.377 -7.676 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2593.47 ENERGY -1.22965E+00
+REMARK time 2765.01 ENERGY 6.97931E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.695 3.250 -4.050 0.051
-ATOM 2 CA ALA 2 1.898 2.147 -3.602 0.010
-ATOM 3 CB ALA 2 2.308 2.754 -3.485 0.056
-ATOM 4 CA ALA 3 2.929 -1.013 -1.734 0.006
-ATOM 5 CB ALA 3 3.079 -1.678 -1.975 0.072
-ATOM 6 CA ALA 4 4.219 -2.023 1.689 0.002
-ATOM 7 CB ALA 4 3.816 -2.114 2.405 0.012
-ATOM 8 CA CYS 5 5.617 -5.553 2.239 0.004
-ATOM 9 CB CYS 5 4.542 -6.086 2.687 0.061
-ATOM 10 CA ALA 6 9.139 -7.027 2.509 0.049
-ATOM 11 CB ALA 6 9.371 -7.294 3.163 0.104
-ATOM 12 CA ALA 7 10.579 -8.921 -0.383 0.027
-ATOM 13 CB ALA 7 11.057 -8.371 -0.535 0.109
-ATOM 14 CA ALA 8 12.377 -12.221 -0.546 0.012
-ATOM 15 CB ALA 8 11.709 -12.414 -0.822 0.098
-ATOM 16 CA ALA 9 16.199 -12.368 -0.209 0.109
-ATOM 17 CB ALA 9 16.298 -12.264 0.511 0.071
-ATOM 18 CA ALA 10 18.327 -15.326 -1.298 0.019
-ATOM 19 CB ALA 10 18.898 -15.183 -1.871 0.005
-ATOM 20 CA ALA 11 20.569 -17.886 0.223 0.002
-ATOM 21 CB ALA 11 20.655 -18.444 0.669 0.108
-ATOM 22 CA ALA 12 24.037 -19.213 -0.989 0.010
-ATOM 23 CB ALA 12 24.852 -19.123 -1.036 0.082
-ATOM 24 CA ALA 13 24.682 -22.934 -0.095 0.002
-ATOM 25 CB ALA 13 24.064 -23.050 -0.430 0.015
-ATOM 26 CA CYS 14 27.765 -25.135 -0.048 0.016
-ATOM 27 CB CYS 14 28.825 -24.812 0.535 0.018
-ATOM 28 CA ALA 15 28.032 -28.911 0.109 0.007
-ATOM 29 CB ALA 15 28.256 -29.476 -0.395 0.048
-ATOM 30 CA ALA 16 31.001 -30.651 1.873 0.022
-ATOM 31 CB ALA 16 31.335 -30.998 2.407 0.018
-ATOM 32 CA ALA 17 33.938 -32.096 -0.085 0.019
-ATOM 33 CB ALA 17 34.663 -32.124 0.008 0.049
-ATOM 34 CA GLY 18 35.601 -35.526 0.059 0.000
+ATOM 1 CA GLY 1 20.918 -4.812 7.480 0.011
+ATOM 2 CA ALA 2 19.070 -7.997 6.498 0.012
+ATOM 3 CB ALA 2 18.481 -8.365 6.755 0.063
+ATOM 4 CA ALA 3 17.797 -8.881 3.028 0.030
+ATOM 5 CB ALA 3 18.141 -9.442 2.549 0.040
+ATOM 6 CA ALA 4 14.479 -9.255 1.167 0.063
+ATOM 7 CB ALA 4 14.021 -8.806 0.650 0.108
+ATOM 8 CA CYS 5 14.719 -12.256 -1.235 0.036
+ATOM 9 CB CYS 5 15.717 -12.844 -0.869 0.015
+ATOM 10 CA ALA 6 11.819 -13.599 -3.338 0.035
+ATOM 11 CB ALA 6 11.535 -13.325 -3.908 0.027
+ATOM 12 CA ALA 7 11.653 -17.068 -4.899 0.029
+ATOM 13 CB ALA 7 12.300 -17.122 -5.224 0.051
+ATOM 14 CA ALA 8 12.637 -18.689 -1.573 0.027
+ATOM 15 CB ALA 8 13.312 -18.375 -1.576 0.126
+ATOM 16 CA ALA 9 9.629 -19.987 0.367 0.018
+ATOM 17 CB ALA 9 9.210 -20.198 -0.235 0.024
+ATOM 18 CA ALA 10 11.131 -22.132 3.183 0.047
+ATOM 19 CB ALA 10 11.526 -22.710 2.855 0.013
+ATOM 20 CA ALA 11 13.121 -20.170 5.842 0.049
+ATOM 21 CB ALA 11 13.259 -20.115 6.551 0.064
+ATOM 22 CA ALA 12 16.477 -20.473 3.880 0.028
+ATOM 23 CB ALA 12 16.784 -20.939 3.303 0.051
+ATOM 24 CA ALA 13 19.627 -18.444 2.998 0.083
+ATOM 25 CB ALA 13 20.209 -19.038 3.273 0.079
+ATOM 26 CA CYS 14 19.290 -16.489 -0.244 0.023
+ATOM 27 CB CYS 14 18.857 -15.369 -0.188 0.009
+ATOM 28 CA ALA 15 22.513 -15.930 -2.149 0.037
+ATOM 29 CB ALA 15 22.854 -16.558 -2.285 0.044
+ATOM 30 CA ALA 16 24.530 -13.185 -3.775 0.048
+ATOM 31 CB ALA 16 24.767 -13.091 -3.104 0.044
+ATOM 32 CA ALA 17 25.057 -12.835 -7.493 0.034
+ATOM 33 CB ALA 17 24.453 -12.341 -7.761 0.057
+ATOM 34 CA GLY 18 27.880 -13.523 -10.060 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2623.47 ENERGY -1.20760E+00
+REMARK time 2791.74 ENERGY 2.08513E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 2.895 4.426 -4.707 0.011
-ATOM 2 CA ALA 2 3.923 1.164 -3.030 0.031
-ATOM 3 CB ALA 2 4.672 1.155 -2.899 0.040
-ATOM 4 CA ALA 3 1.920 -0.860 -0.533 0.009
-ATOM 5 CB ALA 3 1.548 -0.826 -1.161 0.042
-ATOM 6 CA ALA 4 3.160 -2.766 2.490 0.010
-ATOM 7 CB ALA 4 2.881 -2.630 3.087 0.151
-ATOM 8 CA CYS 5 4.682 -6.092 1.241 0.027
-ATOM 9 CB CYS 5 3.989 -7.056 1.380 0.032
-ATOM 10 CA ALA 6 8.296 -6.590 0.162 0.024
-ATOM 11 CB ALA 6 8.930 -6.264 -0.006 0.109
-ATOM 12 CA ALA 7 10.533 -9.548 0.883 0.008
-ATOM 13 CB ALA 7 10.663 -10.236 0.573 0.064
-ATOM 14 CA ALA 8 14.355 -9.846 0.775 0.036
-ATOM 15 CB ALA 8 14.370 -9.146 1.000 0.053
-ATOM 16 CA ALA 9 16.369 -12.804 -0.536 0.007
-ATOM 17 CB ALA 9 16.560 -12.518 -1.176 0.042
-ATOM 18 CA ALA 10 17.718 -16.219 0.427 0.020
-ATOM 19 CB ALA 10 17.444 -16.845 0.419 0.002
-ATOM 20 CA ALA 11 21.203 -17.563 -0.175 0.006
-ATOM 21 CB ALA 11 21.606 -17.421 0.487 0.221
-ATOM 22 CA ALA 12 22.164 -20.775 -1.904 0.034
-ATOM 23 CB ALA 12 22.549 -20.564 -2.556 0.129
-ATOM 24 CA ALA 13 23.544 -24.034 -0.479 0.019
-ATOM 25 CB ALA 13 23.068 -24.627 -0.561 0.082
-ATOM 26 CA CYS 14 27.085 -24.458 0.873 0.025
-ATOM 27 CB CYS 14 27.205 -24.878 2.091 0.091
-ATOM 28 CA ALA 15 29.449 -27.315 -0.191 0.038
-ATOM 29 CB ALA 15 29.779 -27.184 -0.798 0.026
-ATOM 30 CA ALA 16 31.507 -30.274 1.196 0.010
-ATOM 31 CB ALA 16 31.026 -30.740 0.875 0.011
-ATOM 32 CA ALA 17 34.739 -31.352 -0.437 0.009
-ATOM 33 CB ALA 17 35.498 -31.561 -0.422 0.097
-ATOM 34 CA GLY 18 35.240 -35.036 0.343 0.000
+ATOM 1 CA GLY 1 19.124 -3.484 7.541 0.016
+ATOM 2 CA ALA 2 19.791 -7.083 6.223 0.018
+ATOM 3 CB ALA 2 19.362 -7.226 6.802 0.035
+ATOM 4 CA ALA 3 19.287 -8.353 2.705 0.020
+ATOM 5 CB ALA 3 19.535 -8.848 2.255 0.111
+ATOM 6 CA ALA 4 16.666 -10.850 1.584 0.011
+ATOM 7 CB ALA 4 15.957 -10.555 1.626 0.045
+ATOM 8 CA CYS 5 16.273 -13.550 -1.120 0.027
+ATOM 9 CB CYS 5 16.828 -14.619 -0.823 0.014
+ATOM 10 CA ALA 6 12.726 -14.059 -2.285 0.015
+ATOM 11 CB ALA 6 12.556 -13.567 -2.732 0.053
+ATOM 12 CA ALA 7 12.252 -16.436 -5.249 0.021
+ATOM 13 CB ALA 7 13.021 -16.343 -5.246 0.001
+ATOM 14 CA ALA 8 11.434 -19.662 -3.303 0.020
+ATOM 15 CB ALA 8 12.095 -20.054 -3.058 0.092
+ATOM 16 CA ALA 9 8.868 -20.679 -0.664 0.027
+ATOM 17 CB ALA 9 8.314 -21.173 -0.732 0.014
+ATOM 18 CA ALA 10 10.635 -20.905 2.662 0.006
+ATOM 19 CB ALA 10 10.871 -21.592 2.717 0.074
+ATOM 20 CA ALA 11 12.276 -18.941 5.444 0.048
+ATOM 21 CB ALA 11 12.296 -18.992 6.211 0.019
+ATOM 22 CA ALA 12 15.892 -19.989 4.835 0.016
+ATOM 23 CB ALA 12 16.305 -20.647 4.883 0.126
+ATOM 24 CA ALA 13 18.921 -18.153 3.389 0.038
+ATOM 25 CB ALA 13 19.251 -18.011 4.026 0.020
+ATOM 26 CA CYS 14 20.524 -17.476 0.006 0.048
+ATOM 27 CB CYS 14 19.636 -16.862 -0.624 0.048
+ATOM 28 CA ALA 15 23.718 -15.885 -1.523 0.013
+ATOM 29 CB ALA 15 24.359 -16.287 -1.599 0.063
+ATOM 30 CA ALA 16 23.026 -13.353 -4.267 0.025
+ATOM 31 CB ALA 16 22.909 -12.882 -3.762 0.035
+ATOM 32 CA ALA 17 24.045 -12.721 -7.829 0.010
+ATOM 33 CB ALA 17 23.938 -13.459 -7.815 0.293
+ATOM 34 CA GLY 18 23.220 -9.193 -8.845 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2648.40 ENERGY 4.07828E+00
+REMARK time 2819.31 ENERGY 9.17278E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 0.509 3.499 -4.311 0.004
-ATOM 2 CA ALA 2 3.434 2.402 -2.056 0.011
-ATOM 3 CB ALA 2 3.153 2.666 -1.348 0.006
-ATOM 4 CA ALA 3 5.483 -0.839 -1.638 0.015
-ATOM 5 CB ALA 3 6.245 -0.876 -1.640 0.148
-ATOM 6 CA ALA 4 3.369 -3.289 0.291 0.052
-ATOM 7 CB ALA 4 3.158 -3.111 -0.375 0.045
-ATOM 8 CA CYS 5 5.130 -6.050 2.248 0.069
-ATOM 9 CB CYS 5 4.545 -7.104 1.873 0.015
-ATOM 10 CA ALA 6 8.699 -6.466 0.906 0.016
-ATOM 11 CB ALA 6 9.112 -6.515 1.476 0.058
-ATOM 12 CA ALA 7 10.462 -9.279 -0.689 0.021
-ATOM 13 CB ALA 7 10.496 -9.506 -1.450 0.035
-ATOM 14 CA ALA 8 13.757 -10.871 0.454 0.033
-ATOM 15 CB ALA 8 14.059 -10.961 1.077 0.080
-ATOM 16 CA ALA 9 16.052 -13.625 -0.471 0.019
-ATOM 17 CB ALA 9 16.752 -13.839 -0.428 0.076
-ATOM 18 CA ALA 10 16.762 -16.742 1.687 0.021
-ATOM 19 CB ALA 10 16.394 -17.319 1.572 0.061
-ATOM 20 CA ALA 11 20.266 -18.243 1.813 0.039
-ATOM 21 CB ALA 11 20.687 -18.015 2.316 0.050
-ATOM 22 CA ALA 12 21.804 -20.955 -0.303 0.030
-ATOM 23 CB ALA 12 21.984 -20.832 -1.054 0.122
-ATOM 24 CA ALA 13 24.070 -23.869 0.721 0.010
-ATOM 25 CB ALA 13 23.496 -24.225 1.028 0.052
-ATOM 26 CA CYS 14 27.441 -24.130 -1.019 0.015
-ATOM 27 CB CYS 14 28.500 -23.773 -0.629 0.093
-ATOM 28 CA ALA 15 28.748 -27.578 -1.849 0.016
-ATOM 29 CB ALA 15 28.930 -27.928 -2.459 0.165
-ATOM 30 CA ALA 16 30.370 -30.102 0.490 0.021
-ATOM 31 CB ALA 16 30.613 -30.645 0.957 0.030
-ATOM 32 CA ALA 17 34.098 -30.634 0.146 0.020
-ATOM 33 CB ALA 17 34.246 -29.918 0.180 0.145
-ATOM 34 CA GLY 18 36.399 -33.450 1.324 0.000
+ATOM 1 CA GLY 1 22.881 -4.027 6.173 0.030
+ATOM 2 CA ALA 2 20.733 -7.088 5.426 0.025
+ATOM 3 CB ALA 2 20.344 -7.538 5.923 0.047
+ATOM 4 CA ALA 3 19.068 -7.941 2.187 0.018
+ATOM 5 CB ALA 3 19.662 -8.077 1.786 0.031
+ATOM 6 CA ALA 4 16.320 -10.212 0.978 0.018
+ATOM 7 CB ALA 4 15.653 -9.844 0.996 0.075
+ATOM 8 CA CYS 5 15.815 -13.059 -1.452 0.024
+ATOM 9 CB CYS 5 16.526 -14.110 -1.295 0.034
+ATOM 10 CA ALA 6 12.477 -14.100 -3.000 0.010
+ATOM 11 CB ALA 6 12.366 -13.357 -2.969 0.101
+ATOM 12 CA ALA 7 14.171 -16.937 -4.940 0.047
+ATOM 13 CB ALA 7 14.559 -16.422 -5.366 0.061
+ATOM 14 CA ALA 8 13.742 -19.392 -1.964 0.008
+ATOM 15 CB ALA 8 14.069 -19.474 -1.331 0.093
+ATOM 16 CA ALA 9 10.203 -20.216 -0.875 0.028
+ATOM 17 CB ALA 9 9.945 -20.473 -1.487 0.052
+ATOM 18 CA ALA 10 11.350 -22.024 2.305 0.055
+ATOM 19 CB ALA 10 12.086 -21.964 2.068 0.064
+ATOM 20 CA ALA 11 11.902 -20.433 5.747 0.023
+ATOM 21 CB ALA 11 11.640 -20.524 6.335 0.035
+ATOM 22 CA ALA 12 15.723 -20.575 5.796 0.050
+ATOM 23 CB ALA 12 16.241 -20.874 5.310 0.068
+ATOM 24 CA ALA 13 18.038 -17.975 4.110 0.007
+ATOM 25 CB ALA 13 18.656 -17.752 4.379 0.040
+ATOM 26 CA CYS 14 18.787 -17.974 0.314 0.016
+ATOM 27 CB CYS 14 17.732 -17.407 -0.131 0.065
+ATOM 28 CA ALA 15 21.121 -16.163 -2.055 0.048
+ATOM 29 CB ALA 15 21.631 -16.479 -1.712 0.036
+ATOM 30 CA ALA 16 21.537 -13.173 -4.428 0.067
+ATOM 31 CB ALA 16 21.776 -12.629 -3.939 0.025
+ATOM 32 CA ALA 17 23.976 -12.021 -7.160 0.032
+ATOM 33 CB ALA 17 24.021 -12.780 -7.365 0.104
+ATOM 34 CA GLY 18 23.310 -8.294 -7.222 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2675.80 ENERGY -5.01906E+00
+REMARK time 2849.31 ENERGY -1.45709E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.209 6.854 -2.287 0.027
-ATOM 2 CA ALA 2 1.074 3.872 -2.731 0.015
-ATOM 3 CB ALA 2 1.391 4.009 -3.386 0.045
-ATOM 4 CA ALA 3 3.055 1.213 -0.828 0.020
-ATOM 5 CB ALA 3 2.834 0.885 -0.196 0.029
-ATOM 6 CA ALA 4 5.306 -1.781 -1.633 0.032
-ATOM 7 CB ALA 4 5.627 -1.277 -2.137 0.110
-ATOM 8 CA CYS 5 6.407 -4.708 0.551 0.004
-ATOM 9 CB CYS 5 5.435 -4.851 1.248 0.146
-ATOM 10 CA ALA 6 9.079 -7.122 -0.140 0.026
-ATOM 11 CB ALA 6 9.831 -6.969 0.126 0.057
-ATOM 12 CA ALA 7 9.368 -10.942 0.478 0.022
-ATOM 13 CB ALA 7 9.107 -11.076 -0.218 0.150
-ATOM 14 CA ALA 8 12.397 -12.666 1.848 0.010
-ATOM 15 CB ALA 8 12.094 -13.277 2.227 0.059
-ATOM 16 CA ALA 9 15.992 -13.824 1.243 0.004
-ATOM 17 CB ALA 9 16.485 -13.373 0.995 0.047
-ATOM 18 CA ALA 10 17.444 -17.169 2.272 0.032
-ATOM 19 CB ALA 10 16.999 -17.456 1.898 0.024
-ATOM 20 CA ALA 11 20.612 -19.254 2.645 0.028
-ATOM 21 CB ALA 11 20.724 -19.523 3.338 0.093
-ATOM 22 CA ALA 12 21.937 -21.302 -0.267 0.013
-ATOM 23 CB ALA 12 22.314 -21.215 -0.834 0.065
-ATOM 24 CA ALA 13 23.831 -24.599 0.039 0.031
-ATOM 25 CB ALA 13 23.378 -25.217 0.002 0.055
-ATOM 26 CA CYS 14 26.988 -25.800 -1.661 0.010
-ATOM 27 CB CYS 14 28.126 -25.292 -1.411 0.010
-ATOM 28 CA ALA 15 29.061 -28.966 -1.202 0.017
-ATOM 29 CB ALA 15 29.412 -29.370 -1.697 0.032
-ATOM 30 CA ALA 16 32.282 -29.023 0.865 0.031
-ATOM 31 CB ALA 16 31.787 -29.253 1.459 0.041
-ATOM 32 CA ALA 17 35.115 -31.271 -0.413 0.005
-ATOM 33 CB ALA 17 35.498 -30.996 -0.995 0.002
-ATOM 34 CA GLY 18 38.711 -31.867 0.658 0.000
+ATOM 1 CA GLY 1 23.248 -6.655 5.841 0.010
+ATOM 2 CA ALA 2 21.804 -8.675 2.974 0.008
+ATOM 3 CB ALA 2 21.969 -9.375 3.148 0.034
+ATOM 4 CA ALA 3 19.192 -7.970 0.256 0.009
+ATOM 5 CB ALA 3 19.612 -8.124 -0.334 0.119
+ATOM 6 CA ALA 4 15.882 -9.841 0.092 0.015
+ATOM 7 CB ALA 4 15.335 -9.425 0.300 0.123
+ATOM 8 CA CYS 5 14.628 -12.930 -1.658 0.007
+ATOM 9 CB CYS 5 15.572 -13.731 -1.723 0.012
+ATOM 10 CA ALA 6 11.356 -13.749 -3.462 0.004
+ATOM 11 CB ALA 6 11.223 -13.041 -3.901 0.141
+ATOM 12 CA ALA 7 12.470 -17.387 -3.643 0.033
+ATOM 13 CB ALA 7 12.697 -17.128 -4.382 0.038
+ATOM 14 CA ALA 8 11.102 -18.034 -0.179 0.033
+ATOM 15 CB ALA 8 10.370 -17.824 0.010 0.132
+ATOM 16 CA ALA 9 8.955 -21.173 -0.127 0.004
+ATOM 17 CB ALA 9 8.838 -21.497 -0.757 0.035
+ATOM 18 CA ALA 10 11.487 -23.237 1.631 0.019
+ATOM 19 CB ALA 10 12.017 -23.493 1.176 0.139
+ATOM 20 CA ALA 11 12.992 -22.187 4.978 0.009
+ATOM 21 CB ALA 11 12.894 -22.700 5.472 0.114
+ATOM 22 CA ALA 12 16.630 -21.114 4.398 0.039
+ATOM 23 CB ALA 12 17.216 -21.166 3.948 0.050
+ATOM 24 CA ALA 13 18.364 -17.741 4.593 0.013
+ATOM 25 CB ALA 13 19.039 -17.589 4.878 0.100
+ATOM 26 CA CYS 14 18.932 -15.647 1.337 0.059
+ATOM 27 CB CYS 14 17.957 -15.694 0.559 0.014
+ATOM 28 CA ALA 15 22.234 -14.531 -0.054 0.013
+ATOM 29 CB ALA 15 22.492 -15.245 -0.142 0.062
+ATOM 30 CA ALA 16 22.711 -12.014 -2.793 0.093
+ATOM 31 CB ALA 16 22.400 -11.364 -3.014 0.178
+ATOM 32 CA ALA 17 25.485 -11.823 -5.357 0.028
+ATOM 33 CB ALA 17 25.445 -12.182 -5.981 0.106
+ATOM 34 CA GLY 18 25.918 -9.079 -8.002 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2703.55 ENERGY -2.49521E+00
+REMARK time 2875.87 ENERGY -2.66550E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 0.438 5.838 -1.793 0.005
-ATOM 2 CA ALA 2 0.090 2.073 -2.011 0.040
-ATOM 3 CB ALA 2 -0.356 1.561 -2.378 0.045
-ATOM 4 CA ALA 3 3.013 0.571 -0.019 0.031
-ATOM 5 CB ALA 3 2.738 0.149 0.533 0.062
-ATOM 6 CA ALA 4 6.416 -0.518 -1.274 0.035
-ATOM 7 CB ALA 4 7.016 -0.103 -1.170 0.028
-ATOM 8 CA CYS 5 7.540 -4.161 -0.921 0.031
-ATOM 9 CB CYS 5 6.922 -4.787 -1.837 0.015
-ATOM 10 CA ALA 6 9.919 -6.081 1.357 0.015
-ATOM 11 CB ALA 6 9.850 -5.916 2.132 0.063
-ATOM 12 CA ALA 7 11.421 -9.452 0.464 0.019
-ATOM 13 CB ALA 7 11.725 -9.540 -0.264 0.056
-ATOM 14 CA ALA 8 13.299 -12.482 1.944 0.026
-ATOM 15 CB ALA 8 13.539 -12.705 2.696 0.037
-ATOM 16 CA ALA 9 13.803 -15.898 0.435 0.020
-ATOM 17 CB ALA 9 13.858 -15.985 -0.343 0.017
-ATOM 18 CA ALA 10 15.857 -18.982 1.223 0.029
-ATOM 19 CB ALA 10 15.298 -19.238 1.667 0.079
-ATOM 20 CA ALA 11 18.954 -20.085 -0.558 0.047
-ATOM 21 CB ALA 11 19.567 -19.655 -0.609 0.027
-ATOM 22 CA ALA 12 20.746 -23.238 0.440 0.046
-ATOM 23 CB ALA 12 20.506 -23.605 -0.193 0.044
-ATOM 24 CA ALA 13 24.055 -23.500 2.240 0.011
-ATOM 25 CB ALA 13 24.269 -23.536 2.910 0.152
-ATOM 26 CA CYS 14 27.077 -24.697 0.090 0.007
-ATOM 27 CB CYS 14 27.495 -23.711 -0.508 0.020
-ATOM 28 CA ALA 15 29.846 -27.230 1.187 0.013
-ATOM 29 CB ALA 15 30.287 -27.737 1.415 0.289
-ATOM 30 CA ALA 16 33.337 -28.086 -0.093 0.036
-ATOM 31 CB ALA 16 33.876 -27.623 0.178 0.064
-ATOM 32 CA ALA 17 34.322 -31.138 -2.252 0.011
-ATOM 33 CB ALA 17 34.512 -31.315 -2.913 0.045
-ATOM 34 CA GLY 18 36.574 -33.221 -0.073 0.000
+ATOM 1 CA GLY 1 23.943 -4.791 4.252 0.018
+ATOM 2 CA ALA 2 20.387 -6.144 3.687 0.022
+ATOM 3 CB ALA 2 19.841 -5.935 4.134 0.009
+ATOM 4 CA ALA 3 19.365 -8.092 0.506 0.073
+ATOM 5 CB ALA 3 19.720 -8.798 0.530 0.003
+ATOM 6 CA ALA 4 16.034 -9.098 -1.177 0.013
+ATOM 7 CB ALA 4 15.697 -8.533 -1.514 0.017
+ATOM 8 CA CYS 5 14.435 -12.520 -1.639 0.075
+ATOM 9 CB CYS 5 15.131 -13.504 -1.273 0.009
+ATOM 10 CA ALA 6 11.120 -13.541 -3.183 0.007
+ATOM 11 CB ALA 6 10.894 -13.544 -3.904 0.018
+ATOM 12 CA ALA 7 11.486 -17.160 -1.946 0.018
+ATOM 13 CB ALA 7 12.179 -16.923 -2.051 0.131
+ATOM 14 CA ALA 8 9.849 -17.731 1.427 0.027
+ATOM 15 CB ALA 8 9.254 -17.307 1.604 0.097
+ATOM 16 CA ALA 9 8.832 -21.362 0.480 0.005
+ATOM 17 CB ALA 9 8.872 -21.768 -0.125 0.035
+ATOM 18 CA ALA 10 12.328 -22.818 1.039 0.019
+ATOM 19 CB ALA 10 12.885 -22.355 0.757 0.047
+ATOM 20 CA ALA 11 13.737 -23.680 4.558 0.003
+ATOM 21 CB ALA 11 13.317 -24.198 4.754 0.104
+ATOM 22 CA ALA 12 17.062 -22.012 3.783 0.052
+ATOM 23 CB ALA 12 17.088 -22.547 3.481 0.038
+ATOM 24 CA ALA 13 18.182 -18.422 3.201 0.046
+ATOM 25 CB ALA 13 18.281 -18.113 3.892 0.031
+ATOM 26 CA CYS 14 18.678 -17.027 -0.292 0.028
+ATOM 27 CB CYS 14 17.873 -16.167 -0.450 0.026
+ATOM 28 CA ALA 15 21.684 -14.788 -0.811 0.074
+ATOM 29 CB ALA 15 22.153 -15.395 -0.615 0.073
+ATOM 30 CA ALA 16 23.288 -12.320 -3.236 0.038
+ATOM 31 CB ALA 16 22.937 -11.735 -3.076 0.031
+ATOM 32 CA ALA 17 27.018 -12.355 -4.258 0.027
+ATOM 33 CB ALA 17 26.971 -12.686 -4.862 0.175
+ATOM 34 CA GLY 18 28.141 -9.552 -6.500 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2726.72 ENERGY -1.16474E+01
+REMARK time 2898.59 ENERGY -1.85782E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.389 5.313 -1.885 0.013
-ATOM 2 CA ALA 2 0.923 2.339 -1.791 0.034
-ATOM 3 CB ALA 2 1.473 2.046 -2.194 0.003
-ATOM 4 CA ALA 3 3.354 0.770 0.719 0.060
-ATOM 5 CB ALA 3 2.916 0.292 1.195 0.024
-ATOM 6 CA ALA 4 6.795 -0.807 0.361 0.004
-ATOM 7 CB ALA 4 7.336 -0.492 0.733 0.111
-ATOM 8 CA CYS 5 7.899 -4.394 -0.333 0.076
-ATOM 9 CB CYS 5 7.020 -5.336 -0.410 0.029
-ATOM 10 CA ALA 6 10.910 -6.807 -0.175 0.127
-ATOM 11 CB ALA 6 11.065 -6.452 0.503 0.035
-ATOM 12 CA ALA 7 10.665 -10.149 -2.144 0.025
-ATOM 13 CB ALA 7 10.817 -9.520 -2.470 0.113
-ATOM 14 CA ALA 8 12.913 -12.493 -0.181 0.037
-ATOM 15 CB ALA 8 12.940 -12.533 0.583 0.042
-ATOM 16 CA ALA 9 14.102 -15.856 -1.558 0.012
-ATOM 17 CB ALA 9 14.578 -16.161 -2.080 0.038
-ATOM 18 CA ALA 10 15.324 -18.669 0.606 0.021
-ATOM 19 CB ALA 10 14.902 -19.209 0.472 0.018
-ATOM 20 CA ALA 11 19.010 -19.363 1.512 0.021
-ATOM 21 CB ALA 11 19.203 -19.354 2.188 0.023
-ATOM 22 CA ALA 12 20.782 -22.689 1.600 0.025
-ATOM 23 CB ALA 12 20.950 -23.105 0.926 0.003
-ATOM 24 CA ALA 13 24.128 -23.785 3.111 0.055
-ATOM 25 CB ALA 13 24.035 -24.023 3.807 0.009
-ATOM 26 CA CYS 14 26.949 -25.305 1.058 0.004
-ATOM 27 CB CYS 14 26.974 -24.823 -0.134 0.065
-ATOM 28 CA ALA 15 30.239 -26.995 2.033 0.006
-ATOM 29 CB ALA 15 30.262 -27.626 2.422 0.104
-ATOM 30 CA ALA 16 33.202 -27.367 -0.317 0.027
-ATOM 31 CB ALA 16 33.656 -26.976 0.098 0.107
-ATOM 32 CA ALA 17 33.924 -30.254 -2.677 0.027
-ATOM 33 CB ALA 17 33.724 -29.977 -3.331 0.060
-ATOM 34 CA GLY 18 36.455 -32.944 -1.819 0.000
+ATOM 1 CA GLY 1 20.605 -0.959 2.310 0.018
+ATOM 2 CA ALA 2 20.267 -4.615 3.224 0.035
+ATOM 3 CB ALA 2 19.988 -4.659 3.911 0.009
+ATOM 4 CA ALA 3 19.233 -7.462 0.861 0.013
+ATOM 5 CB ALA 3 19.781 -8.026 0.630 0.023
+ATOM 6 CA ALA 4 15.725 -9.005 0.172 0.007
+ATOM 7 CB ALA 4 16.046 -8.513 -0.334 0.129
+ATOM 8 CA CYS 5 15.413 -12.609 -1.171 0.005
+ATOM 9 CB CYS 5 16.130 -13.568 -0.829 0.050
+ATOM 10 CA ALA 6 12.075 -13.531 -2.665 0.014
+ATOM 11 CB ALA 6 11.934 -13.521 -3.431 0.052
+ATOM 12 CA ALA 7 12.066 -17.276 -1.914 0.011
+ATOM 13 CB ALA 7 12.599 -17.311 -2.452 0.086
+ATOM 14 CA ALA 8 10.374 -17.695 1.474 0.008
+ATOM 15 CB ALA 8 9.836 -17.295 1.759 0.012
+ATOM 16 CA ALA 9 8.408 -20.725 0.200 0.041
+ATOM 17 CB ALA 9 7.801 -20.713 -0.325 0.182
+ATOM 18 CA ALA 10 11.374 -23.093 0.803 0.024
+ATOM 19 CB ALA 10 11.701 -23.260 0.158 0.050
+ATOM 20 CA ALA 11 13.160 -23.824 4.044 0.013
+ATOM 21 CB ALA 11 12.880 -24.464 4.010 0.029
+ATOM 22 CA ALA 12 16.487 -22.761 2.670 0.014
+ATOM 23 CB ALA 12 16.638 -23.117 2.010 0.013
+ATOM 24 CA ALA 13 18.843 -19.893 3.424 0.017
+ATOM 25 CB ALA 13 18.983 -20.344 4.022 0.070
+ATOM 26 CA CYS 14 19.325 -16.702 1.257 0.012
+ATOM 27 CB CYS 14 18.146 -16.138 0.944 0.008
+ATOM 28 CA ALA 15 22.363 -15.642 -0.848 0.113
+ATOM 29 CB ALA 15 22.392 -15.885 -1.565 0.071
+ATOM 30 CA ALA 16 23.365 -12.509 -2.740 0.028
+ATOM 31 CB ALA 16 23.741 -11.971 -2.482 0.147
+ATOM 32 CA ALA 17 25.632 -12.406 -5.841 0.025
+ATOM 33 CB ALA 17 24.969 -12.397 -6.031 0.137
+ATOM 34 CA GLY 18 29.240 -11.211 -6.131 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2754.50 ENERGY -1.00836E+01
+REMARK time 2928.07 ENERGY 2.55553E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 0.454 6.371 1.348 0.022
-ATOM 2 CA ALA 2 0.440 2.819 0.036 0.057
-ATOM 3 CB ALA 2 0.351 2.486 -0.512 0.004
-ATOM 4 CA ALA 3 4.054 1.696 -0.066 0.021
-ATOM 5 CB ALA 3 4.360 1.570 0.554 0.045
-ATOM 6 CA ALA 4 5.839 -1.143 -1.806 0.033
-ATOM 7 CB ALA 4 6.110 -0.622 -2.375 0.124
-ATOM 8 CA CYS 5 6.510 -4.717 -0.559 0.021
-ATOM 9 CB CYS 5 5.818 -5.680 -0.361 0.038
-ATOM 10 CA ALA 6 9.779 -6.571 -1.239 0.014
-ATOM 11 CB ALA 6 10.377 -6.603 -0.852 0.208
-ATOM 12 CA ALA 7 11.060 -9.982 -2.248 0.025
-ATOM 13 CB ALA 7 11.148 -9.899 -3.019 0.107
-ATOM 14 CA ALA 8 12.879 -12.310 0.220 0.047
-ATOM 15 CB ALA 8 12.951 -12.732 0.804 0.025
-ATOM 16 CA ALA 9 14.557 -15.537 -0.874 0.015
-ATOM 17 CB ALA 9 15.278 -15.775 -1.098 0.035
-ATOM 18 CA ALA 10 16.198 -18.095 1.334 0.023
-ATOM 19 CB ALA 10 15.757 -17.840 1.816 0.100
-ATOM 20 CA ALA 11 19.066 -20.266 0.094 0.006
-ATOM 21 CB ALA 11 19.713 -19.964 -0.177 0.111
-ATOM 22 CA ALA 12 20.720 -23.377 1.539 0.078
-ATOM 23 CB ALA 12 20.289 -23.811 1.266 0.025
-ATOM 24 CA ALA 13 24.218 -23.634 2.925 0.011
-ATOM 25 CB ALA 13 23.874 -23.728 3.638 0.006
-ATOM 26 CA CYS 14 27.071 -25.445 1.165 0.002
-ATOM 27 CB CYS 14 27.706 -25.039 0.213 0.033
-ATOM 28 CA ALA 15 29.211 -28.543 1.841 0.001
-ATOM 29 CB ALA 15 28.796 -29.062 1.514 0.025
-ATOM 30 CA ALA 16 32.882 -28.479 0.861 0.045
-ATOM 31 CB ALA 16 33.499 -28.593 1.123 0.047
-ATOM 32 CA ALA 17 34.716 -29.608 -2.240 0.009
-ATOM 33 CB ALA 17 34.477 -29.287 -2.908 0.054
-ATOM 34 CA GLY 18 38.410 -30.807 -2.260 0.000
+ATOM 1 CA GLY 1 19.493 -0.627 2.905 0.037
+ATOM 2 CA ALA 2 20.523 -4.185 3.403 0.012
+ATOM 3 CB ALA 2 20.213 -4.027 4.091 0.060
+ATOM 4 CA ALA 3 19.398 -6.452 0.443 0.013
+ATOM 5 CB ALA 3 19.638 -6.826 -0.174 0.054
+ATOM 6 CA ALA 4 16.202 -8.520 0.002 0.053
+ATOM 7 CB ALA 4 15.872 -8.085 -0.630 0.037
+ATOM 8 CA CYS 5 15.405 -12.250 -0.186 0.002
+ATOM 9 CB CYS 5 15.994 -13.204 0.511 0.019
+ATOM 10 CA ALA 6 12.441 -13.030 -2.486 0.008
+ATOM 11 CB ALA 6 12.420 -12.457 -2.851 0.109
+ATOM 12 CA ALA 7 13.060 -16.806 -2.159 0.050
+ATOM 13 CB ALA 7 13.597 -17.302 -2.324 0.056
+ATOM 14 CA ALA 8 10.489 -17.748 0.505 0.029
+ATOM 15 CB ALA 8 9.924 -17.437 0.243 0.078
+ATOM 16 CA ALA 9 8.443 -20.914 0.138 0.029
+ATOM 17 CB ALA 9 8.338 -21.508 -0.298 0.017
+ATOM 18 CA ALA 10 11.585 -22.978 0.653 0.023
+ATOM 19 CB ALA 10 12.082 -22.812 0.074 0.021
+ATOM 20 CA ALA 11 12.999 -24.078 4.046 0.021
+ATOM 21 CB ALA 11 12.929 -24.667 4.482 0.071
+ATOM 22 CA ALA 12 16.587 -23.495 2.978 0.016
+ATOM 23 CB ALA 12 16.851 -23.984 2.432 0.039
+ATOM 24 CA ALA 13 18.204 -20.048 2.812 0.026
+ATOM 25 CB ALA 13 18.768 -20.407 3.261 0.167
+ATOM 26 CA CYS 14 18.872 -17.079 0.459 0.007
+ATOM 27 CB CYS 14 17.949 -16.186 0.309 0.025
+ATOM 28 CA ALA 15 22.491 -16.067 -0.409 0.039
+ATOM 29 CB ALA 15 23.053 -16.478 -0.612 0.076
+ATOM 30 CA ALA 16 24.280 -13.087 -1.966 0.005
+ATOM 31 CB ALA 16 24.891 -13.269 -1.611 0.322
+ATOM 32 CA ALA 17 24.474 -13.176 -5.704 0.018
+ATOM 33 CB ALA 17 23.759 -12.994 -5.599 0.011
+ATOM 34 CA GLY 18 26.875 -11.260 -7.862 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2783.15 ENERGY -1.40357E+01
+REMARK time 2957.60 ENERGY 2.75245E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 1.427 7.033 1.747 0.064
-ATOM 2 CA ALA 2 2.402 3.405 1.322 0.025
-ATOM 3 CB ALA 2 1.832 2.865 1.433 0.111
-ATOM 4 CA ALA 3 4.336 1.114 -0.995 0.002
-ATOM 5 CB ALA 3 4.890 0.542 -0.871 0.142
-ATOM 6 CA ALA 4 3.500 -2.545 -1.788 0.004
-ATOM 7 CB ALA 4 2.887 -2.788 -2.290 0.035
-ATOM 8 CA CYS 5 6.060 -5.167 -0.606 0.129
-ATOM 9 CB CYS 5 5.994 -5.239 0.615 0.011
-ATOM 10 CA ALA 6 8.355 -7.529 -2.556 0.023
-ATOM 11 CB ALA 6 8.850 -7.737 -2.971 0.041
-ATOM 12 CA ALA 7 10.299 -10.301 -0.871 0.015
-ATOM 13 CB ALA 7 9.859 -10.854 -1.068 0.095
-ATOM 14 CA ALA 8 13.871 -11.403 -0.442 0.024
-ATOM 15 CB ALA 8 13.832 -11.130 0.333 0.029
-ATOM 16 CA ALA 9 16.112 -14.242 -1.528 0.037
-ATOM 17 CB ALA 9 16.613 -14.579 -1.860 0.039
-ATOM 18 CA ALA 10 16.896 -16.807 1.168 0.028
-ATOM 19 CB ALA 10 16.605 -17.540 1.078 0.012
-ATOM 20 CA ALA 11 19.804 -19.236 1.794 0.031
-ATOM 21 CB ALA 11 20.277 -19.509 2.304 0.002
-ATOM 22 CA ALA 12 20.752 -22.445 -0.027 0.039
-ATOM 23 CB ALA 12 20.858 -22.346 -0.779 0.101
-ATOM 24 CA ALA 13 22.977 -25.236 1.104 0.056
-ATOM 25 CB ALA 13 22.706 -25.935 1.230 0.007
-ATOM 26 CA CYS 14 26.717 -25.502 0.596 0.024
-ATOM 27 CB CYS 14 27.149 -24.397 0.967 0.019
-ATOM 28 CA ALA 15 29.047 -28.509 0.746 0.027
-ATOM 29 CB ALA 15 28.708 -29.119 0.440 0.101
-ATOM 30 CA ALA 16 32.835 -28.318 1.076 0.050
-ATOM 31 CB ALA 16 33.398 -28.355 1.442 0.022
-ATOM 32 CA ALA 17 35.225 -30.221 -1.152 0.053
-ATOM 33 CB ALA 17 35.489 -29.990 -1.810 0.028
-ATOM 34 CA GLY 18 38.222 -31.507 0.765 0.000
+ATOM 1 CA GLY 1 22.968 -3.358 3.279 0.040
+ATOM 2 CA ALA 2 21.293 -6.466 1.889 0.054
+ATOM 3 CB ALA 2 21.521 -6.962 2.361 0.104
+ATOM 4 CA ALA 3 17.565 -7.069 1.304 0.009
+ATOM 5 CB ALA 3 17.394 -6.616 0.727 0.062
+ATOM 6 CA ALA 4 16.031 -10.560 2.076 0.002
+ATOM 7 CB ALA 4 15.819 -10.001 2.481 0.028
+ATOM 8 CA CYS 5 15.437 -12.723 -1.059 0.022
+ATOM 9 CB CYS 5 16.186 -13.666 -0.740 0.018
+ATOM 10 CA ALA 6 12.692 -12.971 -3.706 0.057
+ATOM 11 CB ALA 6 12.664 -12.542 -4.365 0.046
+ATOM 12 CA ALA 7 13.473 -16.738 -3.854 0.017
+ATOM 13 CB ALA 7 13.930 -16.962 -4.446 0.019
+ATOM 14 CA ALA 8 12.680 -17.347 -0.092 0.023
+ATOM 15 CB ALA 8 12.492 -16.848 0.427 0.051
+ATOM 16 CA ALA 9 10.350 -20.201 -0.844 0.020
+ATOM 17 CB ALA 9 10.184 -20.048 -1.501 0.125
+ATOM 18 CA ALA 10 12.302 -22.574 1.387 0.042
+ATOM 19 CB ALA 10 12.837 -22.697 0.914 0.032
+ATOM 20 CA ALA 11 12.401 -23.230 5.201 0.024
+ATOM 21 CB ALA 11 12.199 -23.895 5.383 0.077
+ATOM 22 CA ALA 12 16.176 -22.688 5.379 0.023
+ATOM 23 CB ALA 12 16.888 -22.875 5.198 0.008
+ATOM 24 CA ALA 13 17.386 -19.544 3.794 0.023
+ATOM 25 CB ALA 13 17.487 -18.916 4.276 0.348
+ATOM 26 CA CYS 14 18.566 -17.809 0.610 0.019
+ATOM 27 CB CYS 14 17.790 -17.092 0.053 0.068
+ATOM 28 CA ALA 15 21.191 -15.399 -0.624 0.049
+ATOM 29 CB ALA 15 21.981 -15.326 -0.829 0.034
+ATOM 30 CA ALA 16 21.672 -13.296 -3.730 0.009
+ATOM 31 CB ALA 16 21.017 -12.817 -3.550 0.019
+ATOM 32 CA ALA 17 24.926 -11.901 -5.283 0.009
+ATOM 33 CB ALA 17 24.707 -12.207 -5.937 0.067
+ATOM 34 CA GLY 18 25.892 -8.315 -6.153 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2809.44 ENERGY -4.62675E-01
+REMARK time 2987.26 ENERGY 3.06984E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 1.289 6.736 -0.055 0.018
-ATOM 2 CA ALA 2 3.182 3.797 1.504 0.216
-ATOM 3 CB ALA 2 3.365 3.812 2.216 0.059
-ATOM 4 CA ALA 3 3.224 0.689 -0.770 0.008
-ATOM 5 CB ALA 3 3.674 0.561 -0.398 0.644
-ATOM 6 CA ALA 4 3.606 -2.906 0.066 0.100
-ATOM 7 CB ALA 4 3.442 -3.582 -0.243 0.504
-ATOM 8 CA CYS 5 6.576 -5.396 0.019 0.022
-ATOM 9 CB CYS 5 6.816 -5.847 1.211 0.073
-ATOM 10 CA ALA 6 7.509 -8.082 -2.539 0.028
-ATOM 11 CB ALA 6 7.710 -7.809 -3.132 0.068
-ATOM 12 CA ALA 7 9.444 -11.282 -1.722 0.013
-ATOM 13 CB ALA 7 9.505 -12.057 -1.897 0.024
-ATOM 14 CA ALA 8 13.196 -11.303 -0.852 0.031
-ATOM 15 CB ALA 8 13.584 -11.272 -0.242 0.018
-ATOM 16 CA ALA 9 15.757 -14.149 -1.265 0.040
-ATOM 17 CB ALA 9 16.220 -14.039 -1.794 0.046
-ATOM 18 CA ALA 10 17.602 -16.593 0.969 0.020
-ATOM 19 CB ALA 10 17.116 -17.047 1.247 0.017
-ATOM 20 CA ALA 11 21.084 -18.003 0.426 0.006
-ATOM 21 CB ALA 11 21.641 -17.976 0.932 0.002
-ATOM 22 CA ALA 12 21.206 -21.516 -0.986 0.002
-ATOM 23 CB ALA 12 21.175 -21.282 -1.758 0.029
-ATOM 24 CA ALA 13 23.157 -24.259 0.746 0.006
-ATOM 25 CB ALA 13 22.764 -24.638 1.233 0.021
-ATOM 26 CA CYS 14 26.655 -25.402 -0.407 0.001
-ATOM 27 CB CYS 14 27.513 -24.591 -0.387 0.013
-ATOM 28 CA ALA 15 28.835 -28.419 0.263 0.038
-ATOM 29 CB ALA 15 28.916 -28.919 -0.308 0.012
-ATOM 30 CA ALA 16 32.444 -28.545 1.225 0.018
-ATOM 31 CB ALA 16 32.762 -28.367 1.896 0.026
-ATOM 32 CA ALA 17 34.676 -31.562 0.777 0.022
-ATOM 33 CB ALA 17 35.007 -31.820 0.201 0.011
-ATOM 34 CA GLY 18 37.583 -31.501 3.237 0.000
+ATOM 1 CA GLY 1 23.271 -4.160 3.902 0.016
+ATOM 2 CA ALA 2 21.396 -7.435 3.162 0.047
+ATOM 3 CB ALA 2 20.882 -8.013 3.223 0.085
+ATOM 4 CA ALA 3 19.588 -7.132 -0.148 0.056
+ATOM 5 CB ALA 3 20.212 -7.082 -0.507 0.026
+ATOM 6 CA ALA 4 16.582 -9.368 -0.780 0.017
+ATOM 7 CB ALA 4 16.241 -8.780 -1.106 0.294
+ATOM 8 CA CYS 5 15.911 -12.901 -2.064 0.004
+ATOM 9 CB CYS 5 16.432 -13.815 -1.492 0.026
+ATOM 10 CA ALA 6 12.587 -14.531 -2.824 0.002
+ATOM 11 CB ALA 6 12.130 -14.148 -3.246 0.033
+ATOM 12 CA ALA 7 12.295 -18.323 -2.462 0.005
+ATOM 13 CB ALA 7 12.654 -18.610 -1.828 0.173
+ATOM 14 CA ALA 8 10.266 -18.017 0.814 0.057
+ATOM 15 CB ALA 8 9.789 -17.953 1.325 0.103
+ATOM 16 CA ALA 9 8.067 -21.072 0.071 0.035
+ATOM 17 CB ALA 9 7.400 -21.284 -0.269 0.113
+ATOM 18 CA ALA 10 10.779 -23.466 1.149 0.042
+ATOM 19 CB ALA 10 11.353 -24.016 1.223 0.012
+ATOM 20 CA ALA 11 13.134 -23.337 4.162 0.057
+ATOM 21 CB ALA 11 13.310 -24.014 4.486 0.152
+ATOM 22 CA ALA 12 16.543 -21.850 3.402 0.013
+ATOM 23 CB ALA 12 17.260 -21.761 3.201 0.126
+ATOM 24 CA ALA 13 18.051 -18.369 3.247 0.020
+ATOM 25 CB ALA 13 18.266 -18.052 3.967 0.051
+ATOM 26 CA CYS 14 19.428 -17.197 -0.084 0.013
+ATOM 27 CB CYS 14 18.482 -16.706 -0.477 0.013
+ATOM 28 CA ALA 15 22.075 -14.591 0.507 0.031
+ATOM 29 CB ALA 15 22.486 -15.019 0.769 0.072
+ATOM 30 CA ALA 16 22.841 -11.680 -1.814 0.016
+ATOM 31 CB ALA 16 22.944 -10.986 -1.867 0.021
+ATOM 32 CA ALA 17 24.642 -10.742 -5.022 0.012
+ATOM 33 CB ALA 17 24.134 -10.795 -5.567 0.026
+ATOM 34 CA GLY 18 25.601 -7.102 -5.375 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2832.99 ENERGY -1.41331E+01
+REMARK time 3016.95 ENERGY 2.22749E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 1.467 7.452 0.984 0.044
-ATOM 2 CA ALA 2 2.020 3.760 1.610 0.008
-ATOM 3 CB ALA 2 1.463 3.310 1.766 0.114
-ATOM 4 CA ALA 3 3.431 1.229 -0.796 0.001
-ATOM 5 CB ALA 3 4.067 1.511 -0.708 0.092
-ATOM 6 CA ALA 4 3.035 -2.463 -0.605 0.009
-ATOM 7 CB ALA 4 2.659 -2.777 -1.153 0.108
-ATOM 8 CA CYS 5 5.600 -5.032 0.296 0.023
-ATOM 9 CB CYS 5 5.855 -5.225 1.459 0.093
-ATOM 10 CA ALA 6 7.618 -7.909 -1.220 0.021
-ATOM 11 CB ALA 6 8.077 -7.676 -1.910 0.241
-ATOM 12 CA ALA 7 10.032 -10.597 0.017 0.036
-ATOM 13 CB ALA 7 9.777 -11.027 0.584 0.081
-ATOM 14 CA ALA 8 13.368 -11.371 -1.478 0.006
-ATOM 15 CB ALA 8 14.036 -11.065 -1.225 0.009
-ATOM 16 CA ALA 9 14.967 -14.620 -2.819 0.018
-ATOM 17 CB ALA 9 15.107 -14.776 -3.581 0.175
-ATOM 18 CA ALA 10 17.544 -16.243 -0.467 0.030
-ATOM 19 CB ALA 10 17.150 -16.500 0.053 0.083
-ATOM 20 CA ALA 11 20.640 -18.423 -0.963 0.007
-ATOM 21 CB ALA 11 21.345 -18.169 -0.862 0.047
-ATOM 22 CA ALA 12 21.415 -22.071 -0.256 0.007
-ATOM 23 CB ALA 12 21.373 -22.259 -0.978 0.022
-ATOM 24 CA ALA 13 24.515 -23.758 1.154 0.014
-ATOM 25 CB ALA 13 24.367 -23.995 1.822 0.023
-ATOM 26 CA CYS 14 27.583 -25.522 -0.453 0.004
-ATOM 27 CB CYS 14 28.509 -24.856 -0.844 0.027
-ATOM 28 CA ALA 15 28.902 -28.996 0.114 0.003
-ATOM 29 CB ALA 15 28.767 -29.490 -0.354 0.002
-ATOM 30 CA ALA 16 32.138 -29.458 2.071 0.012
-ATOM 31 CB ALA 16 32.158 -29.536 2.735 0.026
-ATOM 32 CA ALA 17 35.470 -31.199 1.468 0.001
-ATOM 33 CB ALA 17 36.103 -30.719 1.264 0.020
-ATOM 34 CA GLY 18 37.536 -34.121 2.672 0.000
+ATOM 1 CA GLY 1 18.356 -1.206 1.019 0.037
+ATOM 2 CA ALA 2 18.796 -4.227 3.258 0.041
+ATOM 3 CB ALA 2 18.207 -4.551 3.685 0.107
+ATOM 4 CA ALA 3 19.237 -7.699 1.735 0.015
+ATOM 5 CB ALA 3 19.860 -8.146 1.810 0.145
+ATOM 6 CA ALA 4 15.778 -9.018 0.970 0.001
+ATOM 7 CB ALA 4 15.395 -8.563 0.574 0.012
+ATOM 8 CA CYS 5 15.053 -12.220 -0.913 0.017
+ATOM 9 CB CYS 5 15.071 -13.458 -0.443 0.053
+ATOM 10 CA ALA 6 11.958 -13.397 -2.863 0.069
+ATOM 11 CB ALA 6 11.725 -13.126 -3.539 0.023
+ATOM 12 CA ALA 7 13.090 -17.003 -2.914 0.007
+ATOM 13 CB ALA 7 13.754 -17.105 -3.334 0.089
+ATOM 14 CA ALA 8 12.172 -17.708 0.672 0.007
+ATOM 15 CB ALA 8 12.085 -17.082 0.978 0.083
+ATOM 16 CA ALA 9 9.029 -19.581 1.717 0.030
+ATOM 17 CB ALA 9 8.367 -19.402 1.569 0.144
+ATOM 18 CA ALA 10 10.988 -22.929 1.623 0.001
+ATOM 19 CB ALA 10 10.629 -23.262 1.061 0.045
+ATOM 20 CA ALA 11 14.213 -23.590 3.439 0.021
+ATOM 21 CB ALA 11 14.045 -23.970 4.024 0.026
+ATOM 22 CA ALA 12 17.826 -23.791 2.541 0.007
+ATOM 23 CB ALA 12 18.039 -23.817 1.913 0.040
+ATOM 24 CA ALA 13 18.076 -19.940 2.262 0.045
+ATOM 25 CB ALA 13 18.424 -19.691 2.919 0.030
+ATOM 26 CA CYS 14 18.318 -17.275 -0.438 0.022
+ATOM 27 CB CYS 14 17.483 -16.379 -0.675 0.042
+ATOM 28 CA ALA 15 21.989 -16.244 -0.807 0.029
+ATOM 29 CB ALA 15 22.264 -16.901 -0.843 0.012
+ATOM 30 CA ALA 16 23.439 -13.121 -2.442 0.033
+ATOM 31 CB ALA 16 23.631 -12.345 -2.322 0.063
+ATOM 32 CA ALA 17 26.170 -12.342 -4.968 0.025
+ATOM 33 CB ALA 17 25.528 -12.247 -5.391 0.018
+ATOM 34 CA GLY 18 29.799 -11.341 -5.236 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2856.68 ENERGY -4.12082E+00
+REMARK time 3045.38 ENERGY 1.18413E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.294 6.611 0.380 0.015
-ATOM 2 CA ALA 2 1.140 3.484 2.013 0.016
-ATOM 3 CB ALA 2 0.602 2.995 2.380 0.007
-ATOM 4 CA ALA 3 3.098 1.419 -0.448 0.005
-ATOM 5 CB ALA 3 3.817 1.455 -0.313 0.135
-ATOM 6 CA ALA 4 3.379 -2.314 -0.451 0.022
-ATOM 7 CB ALA 4 3.257 -2.010 -1.178 0.109
-ATOM 8 CA CYS 5 6.063 -4.813 0.175 0.043
-ATOM 9 CB CYS 5 6.102 -5.263 1.365 0.015
-ATOM 10 CA ALA 6 8.325 -7.013 -1.793 0.061
-ATOM 11 CB ALA 6 9.004 -6.807 -1.913 0.117
-ATOM 12 CA ALA 7 10.935 -9.319 -0.194 0.047
-ATOM 13 CB ALA 7 10.622 -10.001 -0.094 0.028
-ATOM 14 CA ALA 8 13.647 -11.669 -1.500 0.008
-ATOM 15 CB ALA 8 14.044 -11.118 -1.260 0.032
-ATOM 16 CA ALA 9 14.571 -15.382 -1.659 0.019
-ATOM 17 CB ALA 9 14.125 -15.701 -2.217 0.062
-ATOM 18 CA ALA 10 17.698 -16.963 -0.202 0.054
-ATOM 19 CB ALA 10 17.570 -17.533 0.304 0.211
-ATOM 20 CA ALA 11 20.623 -18.658 -1.891 0.002
-ATOM 21 CB ALA 11 21.412 -18.636 -1.993 0.060
-ATOM 22 CA ALA 12 21.396 -22.391 -1.496 0.024
-ATOM 23 CB ALA 12 21.628 -22.867 -1.991 0.054
-ATOM 24 CA ALA 13 24.400 -23.437 0.452 0.020
-ATOM 25 CB ALA 13 24.108 -23.851 1.031 0.086
-ATOM 26 CA CYS 14 27.712 -25.188 -0.167 0.005
-ATOM 27 CB CYS 14 28.481 -24.358 -0.550 0.016
-ATOM 28 CA ALA 15 29.241 -28.280 1.525 0.017
-ATOM 29 CB ALA 15 29.070 -28.902 1.287 0.029
-ATOM 30 CA ALA 16 32.461 -29.569 2.902 0.004
-ATOM 31 CB ALA 16 32.713 -29.765 3.585 0.026
-ATOM 32 CA ALA 17 34.637 -31.967 0.816 0.002
-ATOM 33 CB ALA 17 34.584 -31.558 0.102 0.068
-ATOM 34 CA GLY 18 37.580 -33.899 2.229 0.000
+ATOM 1 CA GLY 1 18.078 -0.350 4.835 0.000
+ATOM 2 CA ALA 2 18.179 -2.684 1.753 0.029
+ATOM 3 CB ALA 2 18.864 -2.549 1.649 0.012
+ATOM 4 CA ALA 3 15.474 -5.309 1.329 0.057
+ATOM 5 CB ALA 3 15.324 -5.172 0.533 0.019
+ATOM 6 CA ALA 4 16.122 -9.054 1.729 0.072
+ATOM 7 CB ALA 4 15.855 -9.107 2.466 0.042
+ATOM 8 CA CYS 5 15.616 -12.121 -0.412 0.015
+ATOM 9 CB CYS 5 15.750 -13.385 -0.315 0.097
+ATOM 10 CA ALA 6 11.950 -12.980 -1.261 0.034
+ATOM 11 CB ALA 6 12.022 -12.458 -1.794 0.009
+ATOM 12 CA ALA 7 12.764 -16.484 -2.438 0.021
+ATOM 13 CB ALA 7 13.220 -16.889 -2.745 0.037
+ATOM 14 CA ALA 8 12.694 -17.828 0.984 0.002
+ATOM 15 CB ALA 8 12.255 -17.296 1.178 0.048
+ATOM 16 CA ALA 9 9.456 -19.841 0.366 0.013
+ATOM 17 CB ALA 9 9.267 -19.360 -0.151 0.086
+ATOM 18 CA ALA 10 11.127 -23.095 1.068 0.021
+ATOM 19 CB ALA 10 11.625 -23.738 0.848 0.050
+ATOM 20 CA ALA 11 13.341 -24.566 3.811 0.003
+ATOM 21 CB ALA 11 13.182 -25.220 4.112 0.161
+ATOM 22 CA ALA 12 16.596 -23.258 2.263 0.023
+ATOM 23 CB ALA 12 16.739 -23.766 1.779 0.081
+ATOM 24 CA ALA 13 18.374 -19.916 2.146 0.013
+ATOM 25 CB ALA 13 18.825 -20.027 2.801 0.009
+ATOM 26 CA CYS 14 18.851 -17.551 -0.791 0.004
+ATOM 27 CB CYS 14 17.834 -16.769 -0.872 0.033
+ATOM 28 CA ALA 15 22.558 -16.608 -0.779 0.013
+ATOM 29 CB ALA 15 23.237 -16.896 -0.716 0.041
+ATOM 30 CA ALA 16 24.603 -14.046 -2.733 0.008
+ATOM 31 CB ALA 16 24.646 -13.510 -2.192 0.077
+ATOM 32 CA ALA 17 27.281 -14.460 -5.380 0.008
+ATOM 33 CB ALA 17 27.351 -14.867 -6.031 0.076
+ATOM 34 CA GLY 18 29.392 -11.505 -6.383 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2882.81 ENERGY -3.98844E+00
+REMARK time 3075.33 ENERGY -9.69339E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.411 5.368 0.370 0.023
-ATOM 2 CA ALA 2 0.409 3.138 1.522 0.021
-ATOM 3 CB ALA 2 0.190 2.591 1.906 0.062
-ATOM 4 CA ALA 3 2.966 1.708 -0.918 0.026
-ATOM 5 CB ALA 3 3.388 2.243 -0.627 0.009
-ATOM 6 CA ALA 4 4.399 -1.810 -0.467 0.043
-ATOM 7 CB ALA 4 4.485 -2.247 -1.067 0.060
-ATOM 8 CA CYS 5 7.277 -4.039 0.736 0.017
-ATOM 9 CB CYS 5 6.840 -4.556 1.787 0.025
-ATOM 10 CA ALA 6 9.057 -7.043 -0.697 0.012
-ATOM 11 CB ALA 6 9.680 -6.795 -1.114 0.049
-ATOM 12 CA ALA 7 10.489 -10.465 0.090 0.007
-ATOM 13 CB ALA 7 9.866 -10.638 -0.201 0.069
-ATOM 14 CA ALA 8 13.909 -12.012 -0.578 0.042
-ATOM 15 CB ALA 8 14.199 -11.670 -0.042 0.048
-ATOM 16 CA ALA 9 14.966 -14.816 -2.991 0.036
-ATOM 17 CB ALA 9 14.798 -14.346 -3.470 0.086
-ATOM 18 CA ALA 10 16.847 -17.996 -1.939 0.008
-ATOM 19 CB ALA 10 16.484 -18.589 -1.814 0.024
-ATOM 20 CA ALA 11 20.665 -18.524 -1.551 0.030
-ATOM 21 CB ALA 11 21.418 -18.572 -1.464 0.061
-ATOM 22 CA ALA 12 21.877 -22.060 -1.055 0.037
-ATOM 23 CB ALA 12 22.076 -22.196 -1.812 0.167
-ATOM 24 CA ALA 13 24.668 -23.330 1.246 0.030
-ATOM 25 CB ALA 13 24.181 -23.130 1.773 0.038
-ATOM 26 CA CYS 14 26.998 -26.217 0.050 0.037
-ATOM 27 CB CYS 14 27.698 -25.792 -0.976 0.018
-ATOM 28 CA ALA 15 29.804 -27.242 2.456 0.017
-ATOM 29 CB ALA 15 29.741 -27.605 2.996 0.034
-ATOM 30 CA ALA 16 33.211 -28.582 1.548 0.002
-ATOM 31 CB ALA 16 33.828 -28.284 1.850 0.147
-ATOM 32 CA ALA 17 33.477 -32.340 1.412 0.011
-ATOM 33 CB ALA 17 33.271 -32.428 0.688 0.057
-ATOM 34 CA GLY 18 36.892 -34.045 1.399 0.000
+ATOM 1 CA GLY 1 19.596 -1.198 2.345 0.016
+ATOM 2 CA ALA 2 19.200 -4.945 2.877 0.042
+ATOM 3 CB ALA 2 19.260 -5.494 3.317 0.008
+ATOM 4 CA ALA 3 17.035 -6.496 0.291 0.018
+ATOM 5 CB ALA 3 17.176 -6.532 -0.429 0.028
+ATOM 6 CA ALA 4 15.298 -9.743 1.462 0.012
+ATOM 7 CB ALA 4 14.551 -9.619 1.550 0.207
+ATOM 8 CA CYS 5 15.293 -12.903 -0.575 0.056
+ATOM 9 CB CYS 5 16.084 -13.766 -0.045 0.003
+ATOM 10 CA ALA 6 12.284 -13.345 -2.762 0.039
+ATOM 11 CB ALA 6 12.232 -13.117 -3.541 0.002
+ATOM 12 CA ALA 7 12.729 -17.132 -2.981 0.011
+ATOM 13 CB ALA 7 13.218 -17.094 -3.556 0.146
+ATOM 14 CA ALA 8 12.219 -17.584 0.737 0.014
+ATOM 15 CB ALA 8 12.376 -16.854 0.690 0.121
+ATOM 16 CA ALA 9 9.025 -19.524 0.246 0.054
+ATOM 17 CB ALA 9 8.391 -19.484 -0.150 0.067
+ATOM 18 CA ALA 10 11.014 -22.783 0.223 0.038
+ATOM 19 CB ALA 10 11.166 -22.847 -0.483 0.056
+ATOM 20 CA ALA 11 13.627 -23.037 2.856 0.023
+ATOM 21 CB ALA 11 13.464 -23.545 3.398 0.027
+ATOM 22 CA ALA 12 17.469 -23.198 2.657 0.007
+ATOM 23 CB ALA 12 18.031 -23.467 2.344 0.092
+ATOM 24 CA ALA 13 19.241 -19.909 3.533 0.028
+ATOM 25 CB ALA 13 19.581 -19.892 4.179 0.064
+ATOM 26 CA CYS 14 19.561 -17.148 0.864 0.024
+ATOM 27 CB CYS 14 18.549 -16.391 0.635 0.037
+ATOM 28 CA ALA 15 22.921 -15.431 0.822 0.033
+ATOM 29 CB ALA 15 23.529 -15.729 0.460 0.167
+ATOM 30 CA ALA 16 23.644 -12.520 -1.649 0.020
+ATOM 31 CB ALA 16 24.223 -12.810 -1.504 0.016
+ATOM 32 CA ALA 17 24.731 -13.549 -5.153 0.037
+ATOM 33 CB ALA 17 24.296 -13.546 -5.718 0.041
+ATOM 34 CA GLY 18 26.485 -11.971 -8.092 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2908.78 ENERGY -1.83527E+00
+REMARK time 3101.21 ENERGY 2.13529E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.360 4.516 0.867 0.011
-ATOM 2 CA ALA 2 0.071 1.783 1.806 0.030
-ATOM 3 CB ALA 2 -0.428 1.313 1.407 0.057
-ATOM 4 CA ALA 3 3.473 1.620 0.020 0.010
-ATOM 5 CB ALA 3 3.721 2.057 0.562 0.106
-ATOM 6 CA ALA 4 4.611 -1.620 -1.697 0.022
-ATOM 7 CB ALA 4 4.821 -1.832 -2.372 0.056
-ATOM 8 CA CYS 5 7.199 -3.858 0.115 0.062
-ATOM 9 CB CYS 5 6.946 -4.499 1.156 0.059
-ATOM 10 CA ALA 6 10.003 -6.196 -1.084 0.019
-ATOM 11 CB ALA 6 10.385 -5.626 -0.860 0.029
-ATOM 12 CA ALA 7 10.241 -9.859 -0.878 0.081
-ATOM 13 CB ALA 7 10.091 -10.309 -1.320 0.008
-ATOM 14 CA ALA 8 13.214 -12.177 -0.144 0.027
-ATOM 15 CB ALA 8 13.031 -12.096 0.578 0.116
-ATOM 16 CA ALA 9 14.777 -14.898 -2.221 0.084
-ATOM 17 CB ALA 9 15.063 -14.416 -2.661 0.015
-ATOM 18 CA ALA 10 16.786 -17.822 -0.828 0.012
-ATOM 19 CB ALA 10 16.633 -18.584 -0.610 0.054
-ATOM 20 CA ALA 11 20.592 -18.294 -0.450 0.002
-ATOM 21 CB ALA 11 21.296 -18.130 -0.216 0.012
-ATOM 22 CA ALA 12 21.987 -21.781 -0.948 0.003
-ATOM 23 CB ALA 12 22.207 -22.061 -1.573 0.102
-ATOM 24 CA ALA 13 25.042 -23.261 0.772 0.006
-ATOM 25 CB ALA 13 24.780 -23.404 1.461 0.177
-ATOM 26 CA CYS 14 27.475 -25.727 -0.770 0.010
-ATOM 27 CB CYS 14 27.953 -25.566 -1.771 0.032
-ATOM 28 CA ALA 15 29.177 -27.417 2.135 0.026
-ATOM 29 CB ALA 15 29.040 -28.129 2.596 0.026
-ATOM 30 CA ALA 16 32.620 -28.838 1.306 0.006
-ATOM 31 CB ALA 16 33.172 -28.399 1.403 0.095
-ATOM 32 CA ALA 17 33.444 -32.511 1.490 0.021
-ATOM 33 CB ALA 17 33.381 -33.023 0.982 0.016
-ATOM 34 CA GLY 18 36.939 -33.834 2.164 0.000
+ATOM 1 CA GLY 1 21.908 -2.321 3.680 0.011
+ATOM 2 CA ALA 2 21.353 -5.858 2.685 0.009
+ATOM 3 CB ALA 2 21.602 -6.406 3.067 0.036
+ATOM 4 CA ALA 3 18.726 -6.863 0.084 0.082
+ATOM 5 CB ALA 3 19.324 -6.892 -0.426 0.009
+ATOM 6 CA ALA 4 17.006 -10.183 0.503 0.078
+ATOM 7 CB ALA 4 16.501 -9.730 0.852 0.046
+ATOM 8 CA CYS 5 16.021 -12.966 -1.987 0.033
+ATOM 9 CB CYS 5 16.381 -13.977 -1.436 0.041
+ATOM 10 CA ALA 6 12.938 -14.177 -3.862 0.041
+ATOM 11 CB ALA 6 13.220 -14.176 -4.577 0.012
+ATOM 12 CA ALA 7 13.474 -17.907 -3.273 0.016
+ATOM 13 CB ALA 7 14.134 -17.959 -3.000 0.070
+ATOM 14 CA ALA 8 12.230 -17.873 0.221 0.030
+ATOM 15 CB ALA 8 12.044 -17.190 0.173 0.183
+ATOM 16 CA ALA 9 9.974 -20.971 -0.311 0.011
+ATOM 17 CB ALA 9 9.563 -20.560 -0.731 0.008
+ATOM 18 CA ALA 10 12.744 -23.476 0.507 0.032
+ATOM 19 CB ALA 10 13.327 -23.453 0.159 0.063
+ATOM 20 CA ALA 11 12.522 -23.936 4.329 0.004
+ATOM 21 CB ALA 11 11.947 -24.407 4.410 0.062
+ATOM 22 CA ALA 12 16.021 -22.451 4.870 0.011
+ATOM 23 CB ALA 12 16.721 -22.720 4.812 0.043
+ATOM 24 CA ALA 13 17.480 -18.950 4.445 0.008
+ATOM 25 CB ALA 13 17.939 -18.659 4.967 0.057
+ATOM 26 CA CYS 14 18.744 -17.525 1.015 0.011
+ATOM 27 CB CYS 14 17.783 -16.819 0.670 0.049
+ATOM 28 CA ALA 15 21.471 -15.391 -0.640 0.016
+ATOM 29 CB ALA 15 21.578 -16.004 -0.903 0.136
+ATOM 30 CA ALA 16 21.390 -11.904 -2.133 0.025
+ATOM 31 CB ALA 16 21.958 -11.424 -1.787 0.128
+ATOM 32 CA ALA 17 23.140 -10.689 -5.285 0.028
+ATOM 33 CB ALA 17 22.473 -10.944 -5.441 0.050
+ATOM 34 CA GLY 18 24.361 -7.126 -5.214 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2934.69 ENERGY -1.32042E+01
+REMARK time 3125.24 ENERGY 3.96738E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.880 4.233 0.766 0.003
-ATOM 2 CA ALA 2 -0.562 1.362 1.711 0.062
-ATOM 3 CB ALA 2 -0.964 0.733 1.925 0.080
-ATOM 4 CA ALA 3 2.925 1.399 0.402 0.022
-ATOM 5 CB ALA 3 3.493 1.416 0.837 0.001
-ATOM 6 CA ALA 4 4.289 -1.334 -1.956 0.019
-ATOM 7 CB ALA 4 4.389 -1.511 -2.700 0.222
-ATOM 8 CA CYS 5 7.328 -3.301 -0.663 0.058
-ATOM 9 CB CYS 5 7.078 -3.846 0.385 0.013
-ATOM 10 CA ALA 6 9.809 -5.996 -1.706 0.009
-ATOM 11 CB ALA 6 10.455 -5.736 -1.939 0.079
-ATOM 12 CA ALA 7 10.692 -9.469 -0.305 0.047
-ATOM 13 CB ALA 7 10.189 -10.016 -0.494 0.023
-ATOM 14 CA ALA 8 14.119 -11.132 -0.629 0.006
-ATOM 15 CB ALA 8 14.743 -11.049 -0.132 0.075
-ATOM 16 CA ALA 9 14.942 -14.791 -1.107 0.010
-ATOM 17 CB ALA 9 14.826 -14.982 -1.852 0.196
-ATOM 18 CA ALA 10 16.854 -17.800 0.365 0.014
-ATOM 19 CB ALA 10 16.358 -18.327 0.575 0.010
-ATOM 20 CA ALA 11 20.306 -18.507 -1.189 0.045
-ATOM 21 CB ALA 11 20.745 -17.952 -1.277 0.028
-ATOM 22 CA ALA 12 21.666 -21.907 -0.218 0.017
-ATOM 23 CB ALA 12 21.573 -22.509 -0.595 0.227
-ATOM 24 CA ALA 13 24.958 -23.159 1.180 0.032
-ATOM 25 CB ALA 13 24.987 -23.382 1.958 0.090
-ATOM 26 CA CYS 14 27.760 -25.171 -0.372 0.011
-ATOM 27 CB CYS 14 28.700 -24.314 -0.271 0.029
-ATOM 28 CA ALA 15 28.945 -28.792 0.226 0.026
-ATOM 29 CB ALA 15 28.612 -29.431 0.191 0.046
-ATOM 30 CA ALA 16 32.614 -29.691 0.839 0.010
-ATOM 31 CB ALA 16 32.870 -29.272 1.391 0.010
-ATOM 32 CA ALA 17 33.687 -33.403 1.060 0.014
-ATOM 33 CB ALA 17 34.206 -33.682 0.545 0.140
-ATOM 34 CA GLY 18 37.019 -33.287 2.994 0.000
+ATOM 1 CA GLY 1 23.112 -4.306 4.029 0.025
+ATOM 2 CA ALA 2 21.536 -7.474 2.576 0.058
+ATOM 3 CB ALA 2 21.304 -7.802 3.101 0.015
+ATOM 4 CA ALA 3 18.264 -7.852 0.809 0.032
+ATOM 5 CB ALA 3 18.543 -7.637 0.064 0.144
+ATOM 6 CA ALA 4 15.245 -10.081 1.161 0.015
+ATOM 7 CB ALA 4 15.057 -9.404 1.134 0.136
+ATOM 8 CA CYS 5 15.252 -13.476 -0.479 0.025
+ATOM 9 CB CYS 5 15.628 -14.552 0.051 0.026
+ATOM 10 CA ALA 6 14.458 -14.232 -4.091 0.011
+ATOM 11 CB ALA 6 14.993 -14.463 -4.500 0.027
+ATOM 12 CA ALA 7 13.495 -17.830 -3.183 0.106
+ATOM 13 CB ALA 7 14.142 -18.158 -2.886 0.003
+ATOM 14 CA ALA 8 10.408 -18.575 -1.087 0.054
+ATOM 15 CB ALA 8 9.727 -18.257 -0.805 0.031
+ATOM 16 CA ALA 9 9.325 -22.175 -1.243 0.021
+ATOM 17 CB ALA 9 9.025 -22.388 -1.847 0.039
+ATOM 18 CA ALA 10 12.100 -23.179 1.189 0.024
+ATOM 19 CB ALA 10 12.715 -23.448 1.427 0.021
+ATOM 20 CA ALA 11 12.738 -21.122 4.359 0.028
+ATOM 21 CB ALA 11 12.138 -21.074 4.808 0.028
+ATOM 22 CA ALA 12 16.450 -21.141 4.898 0.032
+ATOM 23 CB ALA 12 16.449 -21.861 4.699 0.024
+ATOM 24 CA ALA 13 18.892 -18.481 3.978 0.030
+ATOM 25 CB ALA 13 19.441 -18.260 4.352 0.103
+ATOM 26 CA CYS 14 19.345 -17.316 0.385 0.005
+ATOM 27 CB CYS 14 18.126 -17.032 0.657 0.049
+ATOM 28 CA ALA 15 22.168 -15.364 -1.209 0.007
+ATOM 29 CB ALA 15 22.680 -15.379 -1.833 0.019
+ATOM 30 CA ALA 16 21.756 -11.914 -2.790 0.030
+ATOM 31 CB ALA 16 21.416 -11.589 -2.351 0.176
+ATOM 32 CA ALA 17 24.059 -9.604 -4.797 0.049
+ATOM 33 CB ALA 17 24.665 -9.975 -5.197 0.012
+ATOM 34 CA GLY 18 23.551 -6.067 -6.061 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2963.57 ENERGY -4.49679E+00
+REMARK time 3150.35 ENERGY -7.57592E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -4.234 3.076 -0.710 0.019
-ATOM 2 CA ALA 2 -0.920 2.243 1.011 0.016
-ATOM 3 CB ALA 2 -1.227 1.854 1.571 0.065
-ATOM 4 CA ALA 3 2.073 0.280 -0.453 0.010
-ATOM 5 CB ALA 3 2.368 0.729 -1.041 0.022
-ATOM 6 CA ALA 4 4.080 -2.873 0.249 0.013
-ATOM 7 CB ALA 4 3.876 -3.533 0.082 0.023
-ATOM 8 CA CYS 5 7.651 -3.523 -0.741 0.015
-ATOM 9 CB CYS 5 8.184 -3.469 0.387 0.034
-ATOM 10 CA ALA 6 9.788 -6.493 -1.864 0.083
-ATOM 11 CB ALA 6 9.799 -6.439 -2.543 0.018
-ATOM 12 CA ALA 7 12.125 -8.606 0.152 0.046
-ATOM 13 CB ALA 7 11.668 -9.117 0.616 0.097
-ATOM 14 CA ALA 8 15.215 -10.158 -1.432 0.038
-ATOM 15 CB ALA 8 15.742 -9.760 -1.615 0.089
-ATOM 16 CA ALA 9 15.647 -13.946 -1.671 0.056
-ATOM 17 CB ALA 9 16.097 -13.802 -2.232 0.072
-ATOM 18 CA ALA 10 16.971 -16.509 0.710 0.067
-ATOM 19 CB ALA 10 16.268 -16.418 0.995 0.155
-ATOM 20 CA ALA 11 20.399 -18.182 0.571 0.018
-ATOM 21 CB ALA 11 21.015 -17.827 0.557 0.122
-ATOM 22 CA ALA 12 21.410 -21.853 0.516 0.052
-ATOM 23 CB ALA 12 21.038 -21.993 -0.162 0.029
-ATOM 24 CA ALA 13 24.317 -24.061 1.538 0.011
-ATOM 25 CB ALA 13 24.126 -24.564 2.080 0.083
-ATOM 26 CA CYS 14 26.922 -26.012 -0.344 0.008
-ATOM 27 CB CYS 14 27.844 -25.163 -0.031 0.029
-ATOM 28 CA ALA 15 29.150 -29.091 -0.174 0.059
-ATOM 29 CB ALA 15 28.703 -29.325 -0.667 0.021
-ATOM 30 CA ALA 16 32.706 -29.804 0.877 0.017
-ATOM 31 CB ALA 16 32.301 -29.751 1.547 0.095
-ATOM 32 CA ALA 17 34.606 -32.767 -0.473 0.002
-ATOM 33 CB ALA 17 35.041 -33.195 -0.784 0.030
-ATOM 34 CA GLY 18 35.505 -33.775 3.079 0.000
+ATOM 1 CA GLY 1 22.330 -5.159 5.943 0.029
+ATOM 2 CA ALA 2 19.258 -7.442 5.241 0.104
+ATOM 3 CB ALA 2 19.310 -6.965 4.605 0.389
+ATOM 4 CA ALA 3 18.494 -9.370 1.965 0.017
+ATOM 5 CB ALA 3 19.045 -9.717 1.957 0.178
+ATOM 6 CA ALA 4 15.045 -10.349 0.856 0.038
+ATOM 7 CB ALA 4 14.499 -9.899 0.578 0.025
+ATOM 8 CA CYS 5 14.972 -13.399 -1.440 0.027
+ATOM 9 CB CYS 5 15.593 -14.457 -1.143 0.050
+ATOM 10 CA ALA 6 11.738 -14.047 -3.275 0.037
+ATOM 11 CB ALA 6 11.481 -13.878 -3.975 0.013
+ATOM 12 CA ALA 7 12.383 -17.773 -3.698 0.008
+ATOM 13 CB ALA 7 12.953 -17.740 -4.242 0.014
+ATOM 14 CA ALA 8 11.558 -18.242 0.043 0.032
+ATOM 15 CB ALA 8 10.992 -17.898 0.385 0.029
+ATOM 16 CA ALA 9 9.818 -21.615 -0.566 0.005
+ATOM 17 CB ALA 9 9.831 -21.835 -1.340 0.034
+ATOM 18 CA ALA 10 12.665 -23.506 1.027 0.017
+ATOM 19 CB ALA 10 13.278 -23.592 0.694 0.046
+ATOM 20 CA ALA 11 13.236 -21.625 4.235 0.018
+ATOM 21 CB ALA 11 13.267 -21.991 4.933 0.009
+ATOM 22 CA ALA 12 16.707 -20.255 4.820 0.021
+ATOM 23 CB ALA 12 17.245 -20.648 4.498 0.104
+ATOM 24 CA ALA 13 18.445 -17.056 3.752 0.014
+ATOM 25 CB ALA 13 18.691 -16.888 4.398 0.061
+ATOM 26 CA CYS 14 19.404 -16.330 0.172 0.016
+ATOM 27 CB CYS 14 18.447 -16.306 -0.608 0.011
+ATOM 28 CA ALA 15 22.621 -14.613 -0.918 0.002
+ATOM 29 CB ALA 15 23.040 -15.200 -1.113 0.161
+ATOM 30 CA ALA 16 22.926 -11.676 -3.171 0.017
+ATOM 31 CB ALA 16 22.805 -10.986 -2.937 0.004
+ATOM 32 CA ALA 17 25.224 -11.590 -6.210 0.029
+ATOM 33 CB ALA 17 25.094 -11.867 -6.881 0.007
+ATOM 34 CA GLY 18 25.671 -8.169 -7.842 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 2991.04 ENERGY 6.06737E+00
+REMARK time 3179.43 ENERGY 1.66694E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.306 2.915 -0.201 0.063
-ATOM 2 CA ALA 2 -0.772 0.423 0.945 0.096
-ATOM 3 CB ALA 2 -0.740 0.681 0.342 0.250
-ATOM 4 CA ALA 3 2.100 -0.106 -1.380 0.003
-ATOM 5 CB ALA 3 2.484 0.196 -2.010 0.130
-ATOM 6 CA ALA 4 3.743 -3.577 -1.212 0.030
-ATOM 7 CB ALA 4 3.532 -4.236 -1.430 0.074
-ATOM 8 CA CYS 5 7.528 -3.436 -0.878 0.019
-ATOM 9 CB CYS 5 8.000 -3.182 0.214 0.024
-ATOM 10 CA ALA 6 9.896 -6.326 -1.407 0.015
-ATOM 11 CB ALA 6 10.320 -6.721 -1.905 0.027
-ATOM 12 CA ALA 7 11.874 -8.520 1.020 0.061
-ATOM 13 CB ALA 7 11.417 -8.919 1.356 0.010
-ATOM 14 CA ALA 8 15.513 -9.770 0.842 0.006
-ATOM 15 CB ALA 8 16.174 -9.908 0.705 0.099
-ATOM 16 CA ALA 9 16.350 -13.358 -0.171 0.038
-ATOM 17 CB ALA 9 16.147 -13.528 -0.880 0.014
-ATOM 18 CA ALA 10 19.268 -15.538 0.756 0.004
-ATOM 19 CB ALA 10 19.443 -15.935 1.360 0.015
-ATOM 20 CA ALA 11 21.240 -18.238 -1.016 0.021
-ATOM 21 CB ALA 11 21.899 -17.929 -1.167 0.102
-ATOM 22 CA ALA 12 21.104 -22.034 -0.463 0.017
-ATOM 23 CB ALA 12 20.920 -22.692 -0.737 0.028
-ATOM 24 CA ALA 13 23.990 -23.440 1.567 0.020
-ATOM 25 CB ALA 13 23.877 -23.682 2.226 0.078
-ATOM 26 CA CYS 14 26.114 -26.110 -0.046 0.030
-ATOM 27 CB CYS 14 27.091 -25.381 -0.309 0.010
-ATOM 28 CA ALA 15 27.770 -29.308 1.102 0.028
-ATOM 29 CB ALA 15 27.337 -29.899 0.797 0.025
-ATOM 30 CA ALA 16 31.496 -29.789 1.476 0.019
-ATOM 31 CB ALA 16 31.436 -29.929 2.180 0.041
-ATOM 32 CA ALA 17 33.525 -32.016 -0.728 0.027
-ATOM 33 CB ALA 17 33.560 -32.017 -1.430 0.017
-ATOM 34 CA GLY 18 37.053 -32.896 0.183 0.000
+ATOM 1 CA GLY 1 18.646 -5.431 8.524 0.073
+ATOM 2 CA ALA 2 18.158 -7.235 5.236 0.035
+ATOM 3 CB ALA 2 18.235 -7.920 5.153 0.173
+ATOM 4 CA ALA 3 16.833 -6.221 1.757 0.011
+ATOM 5 CB ALA 3 17.384 -5.957 1.610 0.049
+ATOM 6 CA ALA 4 14.739 -9.009 0.059 0.014
+ATOM 7 CB ALA 4 13.961 -8.901 -0.170 0.082
+ATOM 8 CA CYS 5 15.401 -12.227 -2.081 0.042
+ATOM 9 CB CYS 5 16.140 -12.998 -1.464 0.070
+ATOM 10 CA ALA 6 12.460 -14.388 -3.504 0.022
+ATOM 11 CB ALA 6 12.618 -13.959 -4.093 0.035
+ATOM 12 CA ALA 7 13.893 -17.683 -2.278 0.023
+ATOM 13 CB ALA 7 14.580 -17.958 -2.360 0.129
+ATOM 14 CA ALA 8 12.329 -17.231 1.147 0.012
+ATOM 15 CB ALA 8 11.767 -16.833 1.500 0.028
+ATOM 16 CA ALA 9 9.994 -20.111 0.531 0.049
+ATOM 17 CB ALA 9 9.592 -20.113 -0.083 0.028
+ATOM 18 CA ALA 10 12.808 -22.586 0.774 0.002
+ATOM 19 CB ALA 10 13.552 -22.895 0.628 0.045
+ATOM 20 CA ALA 11 14.345 -23.861 3.987 0.002
+ATOM 21 CB ALA 11 14.042 -24.497 4.019 0.037
+ATOM 22 CA ALA 12 17.745 -22.336 3.214 0.021
+ATOM 23 CB ALA 12 17.643 -22.945 2.756 0.117
+ATOM 24 CA ALA 13 18.506 -18.627 3.424 0.019
+ATOM 25 CB ALA 13 18.926 -18.596 3.979 0.112
+ATOM 26 CA CYS 14 19.328 -16.191 0.686 0.033
+ATOM 27 CB CYS 14 18.139 -15.765 0.282 0.043
+ATOM 28 CA ALA 15 22.294 -14.496 -0.917 0.004
+ATOM 29 CB ALA 15 22.979 -14.762 -1.262 0.042
+ATOM 30 CA ALA 16 22.575 -11.987 -3.770 0.006
+ATOM 31 CB ALA 16 22.997 -11.418 -4.120 0.041
+ATOM 32 CA ALA 17 23.926 -12.870 -7.221 0.048
+ATOM 33 CB ALA 17 23.621 -12.917 -7.829 0.032
+ATOM 34 CA GLY 18 27.655 -12.990 -7.757 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3017.66 ENERGY -5.51252E+00
+REMARK time 3206.38 ENERGY -9.36135E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -4.586 2.960 -2.526 0.013
-ATOM 2 CA ALA 2 -2.177 0.800 -0.395 0.059
-ATOM 3 CB ALA 2 -2.476 0.220 -0.010 0.175
-ATOM 4 CA ALA 3 1.570 0.172 -0.946 0.030
-ATOM 5 CB ALA 3 2.115 0.663 -0.893 0.154
-ATOM 6 CA ALA 4 3.884 -2.795 -0.711 0.005
-ATOM 7 CB ALA 4 3.722 -3.627 -0.740 0.291
-ATOM 8 CA CYS 5 7.620 -3.418 -0.622 0.028
-ATOM 9 CB CYS 5 8.200 -3.274 0.467 0.049
-ATOM 10 CA ALA 6 9.836 -6.432 -1.160 0.005
-ATOM 11 CB ALA 6 9.809 -6.611 -1.810 0.098
-ATOM 12 CA ALA 7 12.522 -8.039 1.034 0.004
-ATOM 13 CB ALA 7 12.483 -8.583 1.542 0.116
-ATOM 14 CA ALA 8 15.621 -9.990 0.191 0.045
-ATOM 15 CB ALA 8 16.372 -9.937 0.075 0.046
-ATOM 16 CA ALA 9 16.451 -13.624 0.074 0.004
-ATOM 17 CB ALA 9 16.690 -14.206 -0.396 0.060
-ATOM 18 CA ALA 10 19.612 -15.375 1.388 0.030
-ATOM 19 CB ALA 10 19.281 -15.248 2.087 0.016
-ATOM 20 CA ALA 11 22.020 -17.978 0.079 0.031
-ATOM 21 CB ALA 11 22.657 -17.862 0.166 0.069
-ATOM 22 CA ALA 12 21.627 -21.705 -0.069 0.011
-ATOM 23 CB ALA 12 21.138 -21.551 -0.653 0.050
-ATOM 24 CA ALA 13 24.335 -23.867 1.410 0.011
-ATOM 25 CB ALA 13 24.292 -23.910 2.279 0.013
-ATOM 26 CA CYS 14 25.844 -26.894 -0.328 0.001
-ATOM 27 CB CYS 14 26.464 -26.613 -1.422 0.002
-ATOM 28 CA ALA 15 28.097 -29.253 1.694 0.007
-ATOM 29 CB ALA 15 27.742 -29.706 2.060 0.050
-ATOM 30 CA ALA 16 31.695 -29.794 0.765 0.008
-ATOM 31 CB ALA 16 31.625 -29.261 1.315 0.013
-ATOM 32 CA ALA 17 33.348 -32.519 -1.175 0.007
-ATOM 33 CB ALA 17 33.322 -32.477 -1.949 0.061
-ATOM 34 CA GLY 18 36.865 -33.174 0.052 0.000
+ATOM 1 CA GLY 1 15.995 -0.422 4.795 0.072
+ATOM 2 CA ALA 2 17.106 -3.978 5.187 0.010
+ATOM 3 CB ALA 2 17.262 -4.004 5.962 0.015
+ATOM 4 CA ALA 3 16.111 -6.443 2.479 0.019
+ATOM 5 CB ALA 3 16.016 -6.053 1.824 0.163
+ATOM 6 CA ALA 4 15.890 -10.227 2.342 0.011
+ATOM 7 CB ALA 4 15.651 -10.517 2.975 0.015
+ATOM 8 CA CYS 5 15.618 -12.855 -0.537 0.039
+ATOM 9 CB CYS 5 16.250 -13.909 -0.360 0.006
+ATOM 10 CA ALA 6 12.219 -13.304 -2.232 0.038
+ATOM 11 CB ALA 6 11.962 -12.816 -2.705 0.069
+ATOM 12 CA ALA 7 13.187 -16.885 -2.998 0.055
+ATOM 13 CB ALA 7 13.765 -17.181 -3.396 0.023
+ATOM 14 CA ALA 8 12.708 -17.960 0.608 0.023
+ATOM 15 CB ALA 8 13.169 -17.338 0.779 0.091
+ATOM 16 CA ALA 9 9.789 -20.232 -0.517 0.011
+ATOM 17 CB ALA 9 9.428 -19.846 -1.071 0.107
+ATOM 18 CA ALA 10 11.771 -23.333 0.390 0.002
+ATOM 19 CB ALA 10 12.042 -23.631 -0.119 0.020
+ATOM 20 CA ALA 11 13.883 -23.305 3.567 0.014
+ATOM 21 CB ALA 11 13.396 -23.847 3.779 0.020
+ATOM 22 CA ALA 12 17.549 -22.662 3.133 0.007
+ATOM 23 CB ALA 12 17.639 -22.921 2.463 0.076
+ATOM 24 CA ALA 13 19.378 -19.279 3.525 0.016
+ATOM 25 CB ALA 13 20.016 -19.402 3.900 0.045
+ATOM 26 CA CYS 14 20.262 -16.895 0.620 0.026
+ATOM 27 CB CYS 14 19.307 -16.095 0.594 0.044
+ATOM 28 CA ALA 15 23.240 -16.343 -1.716 0.017
+ATOM 29 CB ALA 15 23.500 -16.802 -2.251 0.123
+ATOM 30 CA ALA 16 23.070 -13.527 -4.224 0.029
+ATOM 31 CB ALA 16 22.942 -12.826 -4.089 0.232
+ATOM 32 CA ALA 17 25.779 -13.567 -6.999 0.009
+ATOM 33 CB ALA 17 25.728 -13.918 -7.702 0.096
+ATOM 34 CA GLY 18 24.998 -10.284 -8.793 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3045.99 ENERGY -1.44505E+01
+REMARK time 3236.19 ENERGY -5.28767E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -4.752 0.782 -2.885 0.003
-ATOM 2 CA ALA 2 -1.354 1.626 -1.345 0.044
-ATOM 3 CB ALA 2 -1.310 2.210 -0.891 0.301
-ATOM 4 CA ALA 3 1.657 -0.647 -1.972 0.011
-ATOM 5 CB ALA 3 2.340 -0.610 -2.351 0.046
-ATOM 6 CA ALA 4 3.690 -3.274 -0.170 0.033
-ATOM 7 CB ALA 4 3.588 -3.978 -0.466 0.046
-ATOM 8 CA CYS 5 7.307 -2.872 0.741 0.028
-ATOM 9 CB CYS 5 7.438 -2.148 1.722 0.052
-ATOM 10 CA ALA 6 9.457 -5.754 -0.401 0.014
-ATOM 11 CB ALA 6 9.411 -5.768 -1.160 0.088
-ATOM 12 CA ALA 7 12.128 -8.344 0.558 0.012
-ATOM 13 CB ALA 7 11.617 -8.764 0.921 0.039
-ATOM 14 CA ALA 8 15.442 -9.932 -0.486 0.059
-ATOM 15 CB ALA 8 16.166 -10.118 -0.660 0.075
-ATOM 16 CA ALA 9 16.239 -13.696 -0.503 0.045
-ATOM 17 CB ALA 9 15.866 -13.892 -1.107 0.105
-ATOM 18 CA ALA 10 19.159 -15.280 1.231 0.024
-ATOM 19 CB ALA 10 19.430 -15.663 1.819 0.054
-ATOM 20 CA ALA 11 21.322 -18.372 0.552 0.015
-ATOM 21 CB ALA 11 21.934 -17.985 0.190 0.033
-ATOM 22 CA ALA 12 22.103 -21.528 2.562 0.038
-ATOM 23 CB ALA 12 21.642 -22.073 2.170 0.021
-ATOM 24 CA ALA 13 25.511 -23.142 2.387 0.011
-ATOM 25 CB ALA 13 25.826 -23.291 3.010 0.180
-ATOM 26 CA CYS 14 26.792 -25.693 -0.100 0.010
-ATOM 27 CB CYS 14 27.036 -25.044 -1.108 0.011
-ATOM 28 CA ALA 15 28.458 -29.067 0.583 0.011
-ATOM 29 CB ALA 15 28.016 -29.518 0.927 0.029
-ATOM 30 CA ALA 16 31.490 -30.428 -1.241 0.010
-ATOM 31 CB ALA 16 32.109 -30.183 -1.577 0.013
-ATOM 32 CA ALA 17 33.042 -33.821 -1.050 0.027
-ATOM 33 CB ALA 17 32.885 -33.932 -1.745 0.009
-ATOM 34 CA GLY 18 36.103 -34.907 0.813 0.000
+ATOM 1 CA GLY 1 15.354 -0.686 3.766 0.026
+ATOM 2 CA ALA 2 17.928 -3.407 2.861 0.025
+ATOM 3 CB ALA 2 17.900 -3.457 3.591 0.015
+ATOM 4 CA ALA 3 17.240 -6.420 0.733 0.006
+ATOM 5 CB ALA 3 17.468 -6.765 0.156 0.161
+ATOM 6 CA ALA 4 16.267 -9.724 2.292 0.069
+ATOM 7 CB ALA 4 15.902 -9.377 2.810 0.084
+ATOM 8 CA CYS 5 15.558 -13.094 0.849 0.022
+ATOM 9 CB CYS 5 16.487 -13.600 0.308 0.034
+ATOM 10 CA ALA 6 12.525 -13.765 -1.367 0.031
+ATOM 11 CB ALA 6 12.345 -13.534 -2.137 0.066
+ATOM 12 CA ALA 7 13.347 -17.441 -1.539 0.056
+ATOM 13 CB ALA 7 13.988 -17.158 -1.606 0.032
+ATOM 14 CA ALA 8 11.458 -17.976 1.717 0.025
+ATOM 15 CB ALA 8 11.382 -17.264 1.954 0.186
+ATOM 16 CA ALA 9 9.210 -20.563 0.115 0.024
+ATOM 17 CB ALA 9 8.870 -20.402 -0.496 0.058
+ATOM 18 CA ALA 10 12.087 -23.050 -0.368 0.006
+ATOM 19 CB ALA 10 12.480 -22.885 -0.883 0.053
+ATOM 20 CA ALA 11 13.930 -24.219 2.682 0.058
+ATOM 21 CB ALA 11 13.759 -24.722 3.222 0.021
+ATOM 22 CA ALA 12 17.625 -23.307 2.091 0.027
+ATOM 23 CB ALA 12 17.721 -23.671 1.480 0.086
+ATOM 24 CA ALA 13 19.879 -20.405 2.851 0.005
+ATOM 25 CB ALA 13 20.584 -20.467 3.264 0.012
+ATOM 26 CA CYS 14 19.845 -17.221 0.655 0.062
+ATOM 27 CB CYS 14 19.113 -16.274 0.428 0.062
+ATOM 28 CA ALA 15 22.428 -16.049 -1.771 0.050
+ATOM 29 CB ALA 15 22.883 -16.338 -2.230 0.137
+ATOM 30 CA ALA 16 22.643 -12.517 -3.215 0.004
+ATOM 31 CB ALA 16 22.482 -12.279 -2.617 0.136
+ATOM 32 CA ALA 17 24.220 -11.774 -6.640 0.039
+ATOM 33 CB ALA 17 23.862 -11.202 -6.969 0.036
+ATOM 34 CA GLY 18 27.929 -11.315 -7.134 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3069.82 ENERGY -4.21831E+00
+REMARK time 3263.89 ENERGY -4.29188E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.002 4.684 -2.053 0.051
-ATOM 2 CA ALA 2 -1.043 1.188 -1.151 0.076
-ATOM 3 CB ALA 2 -1.773 1.354 -1.432 0.052
-ATOM 4 CA ALA 3 0.745 -1.870 -2.479 0.012
-ATOM 5 CB ALA 3 1.220 -2.138 -2.963 0.270
-ATOM 6 CA ALA 4 2.912 -3.921 -0.100 0.010
-ATOM 7 CB ALA 4 2.485 -4.524 -0.164 0.199
-ATOM 8 CA CYS 5 6.676 -4.303 0.164 0.007
-ATOM 9 CB CYS 5 6.757 -3.007 0.081 0.027
-ATOM 10 CA ALA 6 9.429 -6.755 -0.634 0.016
-ATOM 11 CB ALA 6 9.596 -6.111 -0.951 0.012
-ATOM 12 CA ALA 7 12.330 -8.152 1.382 0.020
-ATOM 13 CB ALA 7 12.212 -8.238 2.059 0.092
-ATOM 14 CA ALA 8 15.531 -9.530 0.011 0.028
-ATOM 15 CB ALA 8 16.264 -9.087 0.026 0.080
-ATOM 16 CA ALA 9 16.218 -13.287 0.577 0.057
-ATOM 17 CB ALA 9 15.939 -13.398 -0.069 0.050
-ATOM 18 CA ALA 10 19.200 -15.419 1.642 0.011
-ATOM 19 CB ALA 10 19.311 -15.781 2.282 0.008
-ATOM 20 CA ALA 11 21.383 -17.997 -0.234 0.019
-ATOM 21 CB ALA 11 21.773 -17.498 -0.685 0.008
-ATOM 22 CA ALA 12 22.041 -21.421 1.352 0.010
-ATOM 23 CB ALA 12 21.991 -22.112 1.319 0.052
-ATOM 24 CA ALA 13 25.499 -22.879 2.201 0.011
-ATOM 25 CB ALA 13 25.778 -22.918 2.811 0.042
-ATOM 26 CA CYS 14 27.238 -25.815 0.398 0.008
-ATOM 27 CB CYS 14 26.928 -25.620 -0.796 0.040
-ATOM 28 CA ALA 15 30.336 -27.727 1.525 0.033
-ATOM 29 CB ALA 15 30.207 -28.070 2.148 0.023
-ATOM 30 CA ALA 16 32.536 -30.032 -0.553 0.009
-ATOM 31 CB ALA 16 33.270 -29.928 -0.462 0.043
-ATOM 32 CA ALA 17 31.188 -33.574 -1.102 0.024
-ATOM 33 CB ALA 17 30.491 -33.510 -1.214 0.025
-ATOM 34 CA GLY 18 33.534 -36.154 -2.671 0.000
+ATOM 1 CA GLY 1 21.966 -1.711 1.658 0.089
+ATOM 2 CA ALA 2 19.793 -4.735 1.964 0.064
+ATOM 3 CB ALA 2 19.964 -4.980 2.696 0.001
+ATOM 4 CA ALA 3 16.525 -5.463 0.188 0.027
+ATOM 5 CB ALA 3 16.355 -5.567 -0.489 0.081
+ATOM 6 CA ALA 4 16.104 -9.136 1.200 0.014
+ATOM 7 CB ALA 4 15.775 -8.980 1.807 0.074
+ATOM 8 CA CYS 5 14.954 -12.330 -0.602 0.017
+ATOM 9 CB CYS 5 15.954 -13.015 -0.511 0.033
+ATOM 10 CA ALA 6 11.586 -13.844 -1.125 0.022
+ATOM 11 CB ALA 6 11.136 -13.307 -1.339 0.013
+ATOM 12 CA ALA 7 11.489 -17.560 -2.297 0.031
+ATOM 13 CB ALA 7 11.787 -17.055 -2.852 0.039
+ATOM 14 CA ALA 8 12.252 -18.718 1.253 0.001
+ATOM 15 CB ALA 8 11.771 -18.304 1.641 0.014
+ATOM 16 CA ALA 9 9.645 -21.468 1.082 0.010
+ATOM 17 CB ALA 9 8.933 -21.328 0.860 0.026
+ATOM 18 CA ALA 10 12.274 -24.259 0.619 0.023
+ATOM 19 CB ALA 10 12.780 -24.513 0.087 0.081
+ATOM 20 CA ALA 11 14.935 -25.764 2.906 0.018
+ATOM 21 CB ALA 11 15.059 -26.441 2.742 0.045
+ATOM 22 CA ALA 12 17.790 -23.524 1.590 0.019
+ATOM 23 CB ALA 12 18.095 -23.496 0.913 0.078
+ATOM 24 CA ALA 13 18.931 -19.972 2.507 0.042
+ATOM 25 CB ALA 13 19.460 -20.126 3.079 0.008
+ATOM 26 CA CYS 14 19.065 -17.070 0.004 0.006
+ATOM 27 CB CYS 14 17.929 -16.539 -0.112 0.089
+ATOM 28 CA ALA 15 22.374 -15.365 -0.141 0.071
+ATOM 29 CB ALA 15 23.055 -15.720 0.052 0.127
+ATOM 30 CA ALA 16 23.062 -11.980 -1.698 0.075
+ATOM 31 CB ALA 16 23.415 -11.439 -1.388 0.006
+ATOM 32 CA ALA 17 24.187 -10.745 -5.097 0.017
+ATOM 33 CB ALA 17 23.489 -10.987 -5.269 0.050
+ATOM 34 CA GLY 18 26.089 -7.462 -5.623 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3092.37 ENERGY 4.65263E-01
+REMARK time 3293.89 ENERGY -8.69948E-02
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 1.546 4.269 -1.920 0.021
-ATOM 2 CA ALA 2 -0.895 1.695 -0.753 0.033
-ATOM 3 CB ALA 2 -1.550 2.007 -0.783 0.073
-ATOM 4 CA ALA 3 0.953 -1.212 -2.295 0.058
-ATOM 5 CB ALA 3 1.203 -1.455 -2.980 0.041
-ATOM 6 CA ALA 4 2.821 -4.095 -0.581 0.006
-ATOM 7 CB ALA 4 2.548 -4.783 -0.263 0.049
-ATOM 8 CA CYS 5 6.576 -4.850 -0.886 0.006
-ATOM 9 CB CYS 5 6.904 -3.700 -0.708 0.012
-ATOM 10 CA ALA 6 8.716 -8.076 -0.713 0.017
-ATOM 11 CB ALA 6 8.970 -8.629 -1.199 0.126
-ATOM 12 CA ALA 7 12.118 -7.834 0.967 0.035
-ATOM 13 CB ALA 7 11.566 -8.046 1.396 0.185
-ATOM 14 CA ALA 8 15.135 -10.104 0.173 0.035
-ATOM 15 CB ALA 8 15.578 -9.544 0.320 0.107
-ATOM 16 CA ALA 9 16.176 -13.578 1.533 0.017
-ATOM 17 CB ALA 9 16.100 -14.413 1.842 0.011
-ATOM 18 CA ALA 10 19.766 -14.834 1.799 0.081
-ATOM 19 CB ALA 10 19.977 -14.701 2.575 0.087
-ATOM 20 CA ALA 11 21.098 -17.892 -0.100 0.034
-ATOM 21 CB ALA 11 21.395 -17.724 -0.756 0.074
-ATOM 22 CA ALA 12 23.238 -20.317 2.005 0.012
-ATOM 23 CB ALA 12 23.161 -20.577 2.630 0.036
-ATOM 24 CA ALA 13 26.579 -21.977 1.570 0.006
-ATOM 25 CB ALA 13 26.984 -21.772 2.131 0.022
-ATOM 26 CA CYS 14 26.537 -25.676 0.815 0.016
-ATOM 27 CB CYS 14 26.315 -25.631 -0.394 0.009
-ATOM 28 CA ALA 15 29.677 -27.757 1.603 0.024
-ATOM 29 CB ALA 15 29.762 -28.173 2.205 0.024
-ATOM 30 CA ALA 16 31.616 -30.033 -0.738 0.001
-ATOM 31 CB ALA 16 32.378 -29.974 -1.003 0.019
-ATOM 32 CA ALA 17 31.239 -33.689 -1.764 0.009
-ATOM 33 CB ALA 17 30.900 -33.684 -2.410 0.050
-ATOM 34 CA GLY 18 33.647 -36.487 -2.513 0.000
+ATOM 1 CA GLY 1 22.428 -2.046 1.152 0.032
+ATOM 2 CA ALA 2 19.538 -4.444 1.510 0.085
+ATOM 3 CB ALA 2 19.085 -4.484 2.180 0.034
+ATOM 4 CA ALA 3 16.880 -6.263 -0.531 0.056
+ATOM 5 CB ALA 3 17.390 -6.618 -1.054 0.003
+ATOM 6 CA ALA 4 14.975 -9.106 0.991 0.018
+ATOM 7 CB ALA 4 14.509 -8.869 1.522 0.011
+ATOM 8 CA CYS 5 14.361 -12.965 0.612 0.003
+ATOM 9 CB CYS 5 15.084 -13.901 1.075 0.007
+ATOM 10 CA ALA 6 10.681 -13.546 -0.142 0.016
+ATOM 11 CB ALA 6 10.289 -13.205 -0.683 0.020
+ATOM 12 CA ALA 7 11.310 -16.669 -2.241 0.009
+ATOM 13 CB ALA 7 12.000 -16.727 -2.643 0.124
+ATOM 14 CA ALA 8 12.607 -18.611 0.734 0.025
+ATOM 15 CB ALA 8 12.858 -18.361 1.364 0.071
+ATOM 16 CA ALA 9 9.837 -21.130 0.163 0.009
+ATOM 17 CB ALA 9 9.367 -21.185 -0.491 0.053
+ATOM 18 CA ALA 10 12.237 -24.058 0.054 0.013
+ATOM 19 CB ALA 10 12.260 -24.116 -0.729 0.025
+ATOM 20 CA ALA 11 14.960 -24.563 2.708 0.041
+ATOM 21 CB ALA 11 14.932 -25.137 3.108 0.034
+ATOM 22 CA ALA 12 18.465 -23.627 1.522 0.003
+ATOM 23 CB ALA 12 18.322 -23.847 0.837 0.041
+ATOM 24 CA ALA 13 20.030 -20.333 2.639 0.065
+ATOM 25 CB ALA 13 20.712 -20.247 2.923 0.116
+ATOM 26 CA CYS 14 19.194 -16.795 1.104 0.023
+ATOM 27 CB CYS 14 17.995 -16.364 0.819 0.017
+ATOM 28 CA ALA 15 22.472 -15.641 -0.510 0.041
+ATOM 29 CB ALA 15 23.035 -15.906 -0.873 0.038
+ATOM 30 CA ALA 16 22.357 -12.477 -2.622 0.002
+ATOM 31 CB ALA 16 22.198 -11.785 -2.978 0.095
+ATOM 32 CA ALA 17 25.444 -10.742 -3.970 0.057
+ATOM 33 CB ALA 17 25.763 -11.397 -3.945 0.113
+ATOM 34 CA GLY 18 25.202 -7.391 -5.744 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3113.96 ENERGY -4.29564E+00
+REMARK time 3323.47 ENERGY -3.60679E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 2.046 4.613 -2.070 0.031
-ATOM 2 CA ALA 2 -0.427 2.160 -0.406 0.064
-ATOM 3 CB ALA 2 -1.123 2.415 -0.407 0.149
-ATOM 4 CA ALA 3 1.022 -0.755 -2.395 0.029
-ATOM 5 CB ALA 3 1.500 -0.591 -2.994 0.008
-ATOM 6 CA ALA 4 2.306 -3.878 -0.748 0.027
-ATOM 7 CB ALA 4 2.112 -4.528 -0.452 0.158
-ATOM 8 CA CYS 5 5.843 -5.217 -1.538 0.017
-ATOM 9 CB CYS 5 6.625 -4.486 -0.746 0.081
-ATOM 10 CA ALA 6 8.413 -8.057 -1.512 0.042
-ATOM 11 CB ALA 6 7.895 -8.341 -1.965 0.047
-ATOM 12 CA ALA 7 11.491 -8.932 0.495 0.008
-ATOM 13 CB ALA 7 11.481 -9.404 0.999 0.083
-ATOM 14 CA ALA 8 14.352 -11.371 -0.060 0.050
-ATOM 15 CB ALA 8 14.901 -11.405 -0.463 0.042
-ATOM 16 CA ALA 9 16.652 -13.062 2.543 0.016
-ATOM 17 CB ALA 9 16.121 -13.563 2.715 0.061
-ATOM 18 CA ALA 10 20.229 -14.125 1.869 0.044
-ATOM 19 CB ALA 10 20.139 -13.593 2.322 0.018
-ATOM 20 CA ALA 11 22.371 -17.168 1.200 0.038
-ATOM 21 CB ALA 11 22.778 -16.760 0.672 0.060
-ATOM 22 CA ALA 12 24.616 -19.585 3.130 0.011
-ATOM 23 CB ALA 12 24.264 -20.118 3.459 0.023
-ATOM 24 CA ALA 13 27.168 -22.085 1.818 0.035
-ATOM 25 CB ALA 13 27.783 -21.829 2.119 0.120
-ATOM 26 CA CYS 14 26.323 -25.677 1.285 0.000
-ATOM 27 CB CYS 14 25.891 -25.484 0.153 0.012
-ATOM 28 CA ALA 15 28.705 -28.669 0.840 0.005
-ATOM 29 CB ALA 15 28.674 -29.131 1.453 0.049
-ATOM 30 CA ALA 16 29.973 -30.686 -2.230 0.018
-ATOM 31 CB ALA 16 30.344 -30.525 -2.891 0.004
-ATOM 32 CA ALA 17 31.765 -33.918 -1.817 0.041
-ATOM 33 CB ALA 17 31.363 -34.553 -1.990 0.006
-ATOM 34 CA GLY 18 35.563 -34.441 -2.122 0.000
+ATOM 1 CA GLY 1 17.596 -1.623 5.533 0.036
+ATOM 2 CA ALA 2 18.160 -3.560 2.305 0.032
+ATOM 3 CB ALA 2 18.495 -4.265 2.300 0.082
+ATOM 4 CA ALA 3 16.094 -6.599 1.201 0.041
+ATOM 5 CB ALA 3 15.620 -7.050 0.747 0.020
+ATOM 6 CA ALA 4 16.397 -10.319 1.818 0.015
+ATOM 7 CB ALA 4 15.877 -10.564 2.258 0.036
+ATOM 8 CA CYS 5 15.389 -12.663 -0.969 0.002
+ATOM 9 CB CYS 5 16.131 -13.705 -1.159 0.063
+ATOM 10 CA ALA 6 11.678 -13.325 -1.647 0.027
+ATOM 11 CB ALA 6 11.418 -12.643 -1.938 0.061
+ATOM 12 CA ALA 7 12.256 -17.025 -1.981 0.003
+ATOM 13 CB ALA 7 12.912 -17.224 -2.265 0.044
+ATOM 14 CA ALA 8 11.466 -17.672 1.652 0.010
+ATOM 15 CB ALA 8 11.533 -16.921 1.447 0.052
+ATOM 16 CA ALA 9 9.618 -20.894 0.747 0.005
+ATOM 17 CB ALA 9 9.206 -20.955 0.123 0.061
+ATOM 18 CA ALA 10 12.920 -22.690 0.427 0.030
+ATOM 19 CB ALA 10 13.265 -22.725 -0.225 0.059
+ATOM 20 CA ALA 11 14.883 -24.166 3.414 0.006
+ATOM 21 CB ALA 11 14.553 -24.678 3.717 0.119
+ATOM 22 CA ALA 12 18.283 -23.347 1.821 0.014
+ATOM 23 CB ALA 12 18.373 -23.616 1.175 0.011
+ATOM 24 CA ALA 13 20.157 -20.019 2.122 0.014
+ATOM 25 CB ALA 13 20.730 -19.912 2.627 0.050
+ATOM 26 CA CYS 14 19.818 -17.366 -0.637 0.016
+ATOM 27 CB CYS 14 18.631 -16.836 -0.431 0.053
+ATOM 28 CA ALA 15 21.741 -14.061 -0.291 0.030
+ATOM 29 CB ALA 15 22.357 -14.197 0.069 0.227
+ATOM 30 CA ALA 16 22.013 -11.925 -3.388 0.012
+ATOM 31 CB ALA 16 21.813 -11.257 -3.385 0.013
+ATOM 32 CA ALA 17 25.387 -11.887 -5.188 0.027
+ATOM 33 CB ALA 17 25.461 -11.333 -4.592 0.153
+ATOM 34 CA GLY 18 27.005 -15.120 -6.366 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3136.84 ENERGY 7.47897E-01
+REMARK time 3352.68 ENERGY -7.16191E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 3.802 3.137 -1.620 0.067
-ATOM 2 CA ALA 2 0.487 1.829 -0.192 0.001
-ATOM 3 CB ALA 2 -0.182 1.846 -0.513 0.172
-ATOM 4 CA ALA 3 0.994 -1.358 -2.273 0.026
-ATOM 5 CB ALA 3 1.107 -1.387 -3.004 0.007
-ATOM 6 CA ALA 4 3.309 -4.172 -1.167 0.009
-ATOM 7 CB ALA 4 3.112 -4.863 -1.516 0.099
-ATOM 8 CA CYS 5 7.005 -5.093 -1.919 0.018
-ATOM 9 CB CYS 5 7.388 -4.811 -0.804 0.041
-ATOM 10 CA ALA 6 8.629 -8.446 -1.612 0.016
-ATOM 11 CB ALA 6 8.877 -8.114 -2.279 0.095
-ATOM 12 CA ALA 7 11.078 -8.784 1.235 0.034
-ATOM 13 CB ALA 7 10.510 -8.882 1.717 0.032
-ATOM 14 CA ALA 8 13.262 -11.876 0.667 0.032
-ATOM 15 CB ALA 8 13.240 -11.488 0.023 0.100
-ATOM 16 CA ALA 9 16.380 -12.968 2.536 0.001
-ATOM 17 CB ALA 9 16.735 -13.464 3.012 0.101
-ATOM 18 CA ALA 10 19.847 -13.921 1.300 0.106
-ATOM 19 CB ALA 10 20.543 -13.677 1.637 0.049
-ATOM 20 CA ALA 11 21.393 -17.379 0.959 0.057
-ATOM 21 CB ALA 11 21.534 -17.719 0.197 0.157
-ATOM 22 CA ALA 12 24.187 -19.186 2.835 0.029
-ATOM 23 CB ALA 12 23.624 -18.939 3.329 0.020
-ATOM 24 CA ALA 13 26.572 -21.821 1.469 0.014
-ATOM 25 CB ALA 13 27.247 -21.508 1.290 0.014
-ATOM 26 CA CYS 14 26.136 -25.606 1.772 0.015
-ATOM 27 CB CYS 14 24.944 -25.878 1.429 0.020
-ATOM 28 CA ALA 15 29.157 -27.944 1.348 0.013
-ATOM 29 CB ALA 15 29.298 -28.276 1.849 0.039
-ATOM 30 CA ALA 16 30.843 -29.833 -1.515 0.003
-ATOM 31 CB ALA 16 31.296 -29.465 -1.994 0.024
-ATOM 32 CA ALA 17 31.977 -33.437 -1.978 0.013
-ATOM 33 CB ALA 17 31.311 -33.813 -1.979 0.009
-ATOM 34 CA GLY 18 33.548 -34.740 -5.158 0.000
+ATOM 1 CA GLY 1 17.647 -1.213 4.829 0.064
+ATOM 2 CA ALA 2 16.959 -4.837 5.579 0.048
+ATOM 3 CB ALA 2 16.241 -4.947 5.745 0.012
+ATOM 4 CA ALA 3 17.523 -7.525 2.903 0.020
+ATOM 5 CB ALA 3 18.238 -7.699 2.693 0.099
+ATOM 6 CA ALA 4 14.955 -9.612 1.072 0.030
+ATOM 7 CB ALA 4 14.572 -8.968 1.238 0.127
+ATOM 8 CA CYS 5 14.948 -12.759 -1.035 0.006
+ATOM 9 CB CYS 5 15.483 -13.776 -0.689 0.037
+ATOM 10 CA ALA 6 11.748 -14.276 -2.491 0.013
+ATOM 11 CB ALA 6 11.767 -13.963 -3.167 0.057
+ATOM 12 CA ALA 7 13.173 -17.806 -2.224 0.006
+ATOM 13 CB ALA 7 13.481 -18.504 -2.281 0.154
+ATOM 14 CA ALA 8 12.157 -17.989 1.382 0.021
+ATOM 15 CB ALA 8 11.924 -17.331 1.705 0.059
+ATOM 16 CA ALA 9 9.918 -20.980 0.896 0.006
+ATOM 17 CB ALA 9 9.296 -20.646 0.589 0.005
+ATOM 18 CA ALA 10 13.005 -23.225 0.703 0.012
+ATOM 19 CB ALA 10 13.603 -23.255 0.276 0.034
+ATOM 20 CA ALA 11 14.739 -24.104 3.926 0.021
+ATOM 21 CB ALA 11 14.897 -24.726 4.201 0.074
+ATOM 22 CA ALA 12 17.599 -21.629 3.470 0.027
+ATOM 23 CB ALA 12 18.145 -22.098 3.245 0.015
+ATOM 24 CA ALA 13 18.303 -18.068 2.539 0.036
+ATOM 25 CB ALA 13 18.539 -17.773 3.171 0.108
+ATOM 26 CA CYS 14 19.273 -16.232 -0.592 0.085
+ATOM 27 CB CYS 14 18.222 -15.928 -1.181 0.018
+ATOM 28 CA ALA 15 21.523 -13.271 -1.571 0.044
+ATOM 29 CB ALA 15 22.208 -13.211 -1.682 0.072
+ATOM 30 CA ALA 16 23.088 -13.901 -4.946 0.018
+ATOM 31 CB ALA 16 22.934 -13.331 -5.453 0.066
+ATOM 32 CA ALA 17 26.546 -13.698 -6.623 0.034
+ATOM 33 CB ALA 17 26.677 -14.359 -6.828 0.087
+ATOM 34 CA GLY 18 28.964 -11.291 -8.213 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3157.53 ENERGY 2.46941E+00
+REMARK time 3373.68 ENERGY -1.21427E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 3.024 3.954 -1.202 0.005
-ATOM 2 CA ALA 2 -0.028 2.023 -0.281 0.011
-ATOM 3 CB ALA 2 -0.579 2.599 -0.240 0.186
-ATOM 4 CA ALA 3 0.898 -0.790 -2.760 0.033
-ATOM 5 CB ALA 3 1.226 -0.882 -3.352 0.077
-ATOM 6 CA ALA 4 3.122 -3.212 -0.808 0.023
-ATOM 7 CB ALA 4 2.537 -3.537 -0.684 0.058
-ATOM 8 CA CYS 5 5.914 -5.425 -2.119 0.036
-ATOM 9 CB CYS 5 6.903 -4.992 -1.925 0.006
-ATOM 10 CA ALA 6 7.997 -8.357 -0.904 0.086
-ATOM 11 CB ALA 6 7.800 -8.963 -1.272 0.053
-ATOM 12 CA ALA 7 11.590 -8.937 0.359 0.016
-ATOM 13 CB ALA 7 12.131 -8.835 0.988 0.070
-ATOM 14 CA ALA 8 14.161 -11.669 -0.439 0.037
-ATOM 15 CB ALA 8 14.602 -11.124 -0.767 0.100
-ATOM 16 CA ALA 9 16.098 -13.318 2.391 0.002
-ATOM 17 CB ALA 9 15.646 -13.859 2.503 0.073
-ATOM 18 CA ALA 10 19.707 -14.456 2.421 0.001
-ATOM 19 CB ALA 10 19.849 -13.687 2.571 0.064
-ATOM 20 CA ALA 11 21.447 -17.727 1.888 0.042
-ATOM 21 CB ALA 11 21.287 -18.374 1.644 0.041
-ATOM 22 CA ALA 12 24.440 -19.644 3.260 0.028
-ATOM 23 CB ALA 12 24.055 -19.713 3.862 0.014
-ATOM 24 CA ALA 13 26.942 -21.735 1.193 0.027
-ATOM 25 CB ALA 13 27.590 -21.379 1.072 0.022
-ATOM 26 CA CYS 14 27.103 -25.487 1.994 0.016
-ATOM 27 CB CYS 14 26.142 -25.555 1.205 0.001
-ATOM 28 CA ALA 15 29.861 -27.975 1.192 0.010
-ATOM 29 CB ALA 15 30.108 -28.007 1.883 0.115
-ATOM 30 CA ALA 16 29.923 -30.446 -1.654 0.018
-ATOM 31 CB ALA 16 30.153 -30.350 -2.326 0.020
-ATOM 32 CA ALA 17 31.763 -33.798 -2.035 0.008
-ATOM 33 CB ALA 17 31.257 -34.222 -2.229 0.021
-ATOM 34 CA GLY 18 33.994 -34.173 -5.112 0.000
+ATOM 1 CA GLY 1 19.506 -3.117 7.742 0.003
+ATOM 2 CA ALA 2 17.246 -5.269 5.488 0.028
+ATOM 3 CB ALA 2 16.563 -5.079 5.689 0.095
+ATOM 4 CA ALA 3 16.842 -7.211 2.239 0.044
+ATOM 5 CB ALA 3 17.285 -7.530 1.836 0.109
+ATOM 6 CA ALA 4 14.503 -10.009 1.235 0.098
+ATOM 7 CB ALA 4 13.774 -9.870 1.352 0.066
+ATOM 8 CA CYS 5 14.909 -12.951 -1.257 0.017
+ATOM 9 CB CYS 5 15.378 -14.010 -1.085 0.034
+ATOM 10 CA ALA 6 11.962 -13.735 -3.548 0.015
+ATOM 11 CB ALA 6 12.097 -13.223 -4.096 0.053
+ATOM 12 CA ALA 7 12.877 -17.427 -3.522 0.096
+ATOM 13 CB ALA 7 13.579 -17.398 -3.770 0.017
+ATOM 14 CA ALA 8 12.173 -17.782 0.210 0.016
+ATOM 15 CB ALA 8 11.597 -17.467 0.619 0.022
+ATOM 16 CA ALA 9 10.687 -21.179 -0.143 0.060
+ATOM 17 CB ALA 9 10.503 -21.278 -0.831 0.169
+ATOM 18 CA ALA 10 13.379 -22.903 1.994 0.033
+ATOM 19 CB ALA 10 14.024 -23.106 1.674 0.026
+ATOM 20 CA ALA 11 14.506 -22.067 5.467 0.015
+ATOM 21 CB ALA 11 14.582 -22.311 6.208 0.072
+ATOM 22 CA ALA 12 17.984 -21.259 4.182 0.022
+ATOM 23 CB ALA 12 18.531 -21.458 3.777 0.070
+ATOM 24 CA ALA 13 19.006 -17.682 3.357 0.012
+ATOM 25 CB ALA 13 19.592 -17.358 3.648 0.050
+ATOM 26 CA CYS 14 18.872 -17.205 -0.410 0.017
+ATOM 27 CB CYS 14 17.674 -16.883 -0.616 0.060
+ATOM 28 CA ALA 15 21.966 -16.206 -2.432 0.005
+ATOM 29 CB ALA 15 21.878 -16.590 -3.057 0.125
+ATOM 30 CA ALA 16 23.034 -13.146 -4.364 0.038
+ATOM 31 CB ALA 16 23.063 -12.611 -3.916 0.047
+ATOM 32 CA ALA 17 25.340 -12.716 -7.350 0.020
+ATOM 33 CB ALA 17 25.038 -12.725 -7.999 0.120
+ATOM 34 CA GLY 18 28.725 -11.033 -7.345 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3178.27 ENERGY 5.82144E+00
+REMARK time 3398.55 ENERGY -6.71174E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 2.116 4.644 -1.082 0.009
-ATOM 2 CA ALA 2 -0.865 2.253 -0.778 0.031
-ATOM 3 CB ALA 2 -1.364 2.238 -1.371 0.016
-ATOM 4 CA ALA 3 1.117 -0.611 -2.262 0.018
-ATOM 5 CB ALA 3 1.470 -0.809 -2.873 0.021
-ATOM 6 CA ALA 4 3.814 -2.865 -0.556 0.004
-ATOM 7 CB ALA 4 3.992 -3.297 0.114 0.061
-ATOM 8 CA CYS 5 6.423 -5.381 -1.821 0.006
-ATOM 9 CB CYS 5 7.407 -4.724 -2.344 0.099
-ATOM 10 CA ALA 6 7.804 -8.640 -0.347 0.012
-ATOM 11 CB ALA 6 7.423 -9.042 -0.775 0.047
-ATOM 12 CA ALA 7 11.587 -8.944 -0.463 0.010
-ATOM 13 CB ALA 7 11.746 -8.610 0.186 0.063
-ATOM 14 CA ALA 8 14.369 -11.507 -0.387 0.080
-ATOM 15 CB ALA 8 14.312 -11.369 -1.075 0.116
-ATOM 16 CA ALA 9 15.860 -13.791 2.397 0.090
-ATOM 17 CB ALA 9 15.554 -14.260 2.891 0.011
-ATOM 18 CA ALA 10 19.643 -14.616 2.679 0.016
-ATOM 19 CB ALA 10 20.101 -14.096 2.873 0.129
-ATOM 20 CA ALA 11 20.686 -18.232 2.068 0.003
-ATOM 21 CB ALA 11 20.815 -18.837 1.613 0.011
-ATOM 22 CA ALA 12 24.005 -19.890 3.267 0.036
-ATOM 23 CB ALA 12 23.592 -20.023 3.799 0.098
-ATOM 24 CA ALA 13 26.980 -21.448 1.599 0.005
-ATOM 25 CB ALA 13 27.538 -21.242 1.112 0.016
-ATOM 26 CA CYS 14 27.434 -25.228 1.720 0.037
-ATOM 27 CB CYS 14 26.679 -26.047 1.287 0.034
-ATOM 28 CA ALA 15 30.207 -27.465 0.522 0.022
-ATOM 29 CB ALA 15 30.656 -27.445 1.134 0.058
-ATOM 30 CA ALA 16 30.095 -30.242 -2.034 0.007
-ATOM 31 CB ALA 16 30.149 -30.397 -2.735 0.100
-ATOM 32 CA ALA 17 31.325 -33.747 -1.953 0.007
-ATOM 33 CB ALA 17 30.807 -34.354 -2.024 0.024
-ATOM 34 CA GLY 18 34.407 -34.258 -3.996 0.000
+ATOM 1 CA GLY 1 19.980 -3.605 5.655 0.014
+ATOM 2 CA ALA 2 17.256 -6.210 5.627 0.007
+ATOM 3 CB ALA 2 16.702 -5.924 5.272 0.082
+ATOM 4 CA ALA 3 17.403 -9.002 3.055 0.042
+ATOM 5 CB ALA 3 17.923 -9.481 3.301 0.077
+ATOM 6 CA ALA 4 15.090 -9.585 0.086 0.026
+ATOM 7 CB ALA 4 15.032 -8.920 -0.232 0.017
+ATOM 8 CA CYS 5 15.804 -13.069 -1.523 0.025
+ATOM 9 CB CYS 5 15.801 -14.182 -0.897 0.054
+ATOM 10 CA ALA 6 14.134 -14.607 -4.558 0.037
+ATOM 11 CB ALA 6 14.486 -14.419 -5.198 0.058
+ATOM 12 CA ALA 7 14.650 -18.221 -3.305 0.017
+ATOM 13 CB ALA 7 15.296 -18.495 -3.024 0.036
+ATOM 14 CA ALA 8 12.205 -17.963 -0.518 0.009
+ATOM 15 CB ALA 8 12.257 -17.258 -0.975 0.008
+ATOM 16 CA ALA 9 9.460 -20.401 0.000 0.011
+ATOM 17 CB ALA 9 9.054 -20.733 -0.525 0.065
+ATOM 18 CA ALA 10 11.602 -22.505 2.273 0.032
+ATOM 19 CB ALA 10 12.089 -22.943 1.921 0.114
+ATOM 20 CA ALA 11 13.649 -21.797 5.435 0.042
+ATOM 21 CB ALA 11 13.368 -22.436 5.740 0.072
+ATOM 22 CA ALA 12 17.382 -21.234 4.736 0.023
+ATOM 23 CB ALA 12 17.693 -21.828 4.532 0.041
+ATOM 24 CA ALA 13 19.086 -17.997 3.695 0.002
+ATOM 25 CB ALA 13 19.659 -17.657 4.089 0.028
+ATOM 26 CA CYS 14 19.955 -16.859 0.150 0.030
+ATOM 27 CB CYS 14 18.816 -16.381 -0.170 0.057
+ATOM 28 CA ALA 15 23.036 -15.023 -1.023 0.021
+ATOM 29 CB ALA 15 23.610 -15.442 -0.798 0.028
+ATOM 30 CA ALA 16 22.991 -12.466 -3.743 0.020
+ATOM 31 CB ALA 16 23.397 -11.855 -3.799 0.057
+ATOM 32 CA ALA 17 22.648 -12.331 -7.566 0.073
+ATOM 33 CB ALA 17 22.058 -12.334 -8.135 0.238
+ATOM 34 CA GLY 18 23.953 -9.103 -9.158 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3205.44 ENERGY -1.35352E+01
+REMARK time 3419.06 ENERGY 1.38487E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 1.553 4.667 -2.854 0.031
-ATOM 2 CA ALA 2 -0.895 2.422 -1.010 0.026
-ATOM 3 CB ALA 2 -1.597 2.323 -1.323 0.064
-ATOM 4 CA ALA 3 0.929 -0.759 -2.073 0.015
-ATOM 5 CB ALA 3 1.065 -0.916 -2.906 0.022
-ATOM 6 CA ALA 4 3.520 -2.795 -0.220 0.025
-ATOM 7 CB ALA 4 2.897 -2.869 0.243 0.032
-ATOM 8 CA CYS 5 6.405 -4.739 -1.762 0.017
-ATOM 9 CB CYS 5 7.324 -4.068 -2.151 0.002
-ATOM 10 CA ALA 6 8.162 -7.787 -0.189 0.042
-ATOM 11 CB ALA 6 7.538 -8.195 0.003 0.374
-ATOM 12 CA ALA 7 11.865 -8.877 -0.510 0.004
-ATOM 13 CB ALA 7 12.406 -8.601 -0.108 0.020
-ATOM 14 CA ALA 8 13.494 -12.269 0.105 0.069
-ATOM 15 CB ALA 8 13.193 -12.601 -0.449 0.072
-ATOM 16 CA ALA 9 16.252 -12.943 2.491 0.007
-ATOM 17 CB ALA 9 16.130 -12.985 3.264 0.176
-ATOM 18 CA ALA 10 19.506 -14.739 2.025 0.030
-ATOM 19 CB ALA 10 20.144 -14.333 2.023 0.116
-ATOM 20 CA ALA 11 20.763 -18.168 2.867 0.025
-ATOM 21 CB ALA 11 20.668 -18.746 2.387 0.101
-ATOM 22 CA ALA 12 24.077 -19.841 3.676 0.101
-ATOM 23 CB ALA 12 24.242 -20.216 4.285 0.004
-ATOM 24 CA ALA 13 26.205 -22.055 1.347 0.036
-ATOM 25 CB ALA 13 26.561 -21.379 0.991 0.085
-ATOM 26 CA CYS 14 27.163 -25.734 1.662 0.026
-ATOM 27 CB CYS 14 26.513 -26.381 0.821 0.046
-ATOM 28 CA ALA 15 30.192 -27.876 0.631 0.014
-ATOM 29 CB ALA 15 30.719 -28.049 1.136 0.048
-ATOM 30 CA ALA 16 31.218 -30.169 -2.264 0.012
-ATOM 31 CB ALA 16 31.770 -29.723 -2.673 0.037
-ATOM 32 CA ALA 17 31.928 -33.858 -2.250 0.008
-ATOM 33 CB ALA 17 31.462 -34.391 -2.315 0.030
-ATOM 34 CA GLY 18 34.700 -35.698 -4.165 0.000
+ATOM 1 CA GLY 1 19.506 -3.351 6.703 0.009
+ATOM 2 CA ALA 2 17.664 -5.901 4.599 0.047
+ATOM 3 CB ALA 2 17.233 -5.646 4.015 0.019
+ATOM 4 CA ALA 3 18.497 -8.130 1.731 0.006
+ATOM 5 CB ALA 3 19.021 -8.553 1.725 0.127
+ATOM 6 CA ALA 4 16.252 -11.163 0.916 0.005
+ATOM 7 CB ALA 4 15.541 -11.393 0.793 0.094
+ATOM 8 CA CYS 5 16.425 -13.675 -1.935 0.027
+ATOM 9 CB CYS 5 17.076 -14.543 -1.387 0.050
+ATOM 10 CA ALA 6 13.839 -14.735 -4.519 0.013
+ATOM 11 CB ALA 6 13.948 -14.476 -5.230 0.032
+ATOM 12 CA ALA 7 14.087 -18.401 -3.804 0.019
+ATOM 13 CB ALA 7 14.789 -18.139 -4.237 0.056
+ATOM 14 CA ALA 8 13.090 -17.902 -0.137 0.009
+ATOM 15 CB ALA 8 12.971 -17.326 0.384 0.158
+ATOM 16 CA ALA 9 9.975 -20.014 -0.545 0.053
+ATOM 17 CB ALA 9 9.730 -19.997 -1.141 0.028
+ATOM 18 CA ALA 10 11.048 -22.302 2.160 0.008
+ATOM 19 CB ALA 10 11.081 -23.054 2.139 0.069
+ATOM 20 CA ALA 11 13.346 -20.959 4.987 0.040
+ATOM 21 CB ALA 11 12.857 -21.181 5.543 0.059
+ATOM 22 CA ALA 12 17.010 -21.688 5.107 0.017
+ATOM 23 CB ALA 12 17.265 -22.376 4.993 0.025
+ATOM 24 CA ALA 13 18.934 -18.730 3.809 0.015
+ATOM 25 CB ALA 13 19.060 -18.414 4.363 0.024
+ATOM 26 CA CYS 14 20.724 -17.261 0.857 0.008
+ATOM 27 CB CYS 14 19.815 -17.127 0.074 0.043
+ATOM 28 CA ALA 15 22.340 -14.249 -0.698 0.028
+ATOM 29 CB ALA 15 22.971 -14.316 -0.636 0.007
+ATOM 30 CA ALA 16 21.331 -12.832 -4.098 0.020
+ATOM 31 CB ALA 16 20.792 -12.551 -4.442 0.047
+ATOM 32 CA ALA 17 23.144 -10.314 -6.210 0.018
+ATOM 33 CB ALA 17 23.658 -10.772 -6.435 0.071
+ATOM 34 CA GLY 18 20.353 -9.950 -8.806 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3233.45 ENERGY -1.25023E+01
+REMARK time 3447.31 ENERGY -1.43870E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 3.231 1.824 -4.700 0.005
-ATOM 2 CA ALA 2 0.817 2.079 -1.675 0.010
-ATOM 3 CB ALA 2 0.113 2.388 -1.829 0.183
-ATOM 4 CA ALA 3 0.197 -1.678 -1.845 0.009
-ATOM 5 CB ALA 3 -0.111 -1.782 -2.483 0.106
-ATOM 6 CA ALA 4 3.036 -3.161 0.205 0.006
-ATOM 7 CB ALA 4 2.903 -3.529 0.828 0.011
-ATOM 8 CA CYS 5 6.479 -4.634 -0.664 0.006
-ATOM 9 CB CYS 5 6.887 -3.629 -1.052 0.027
-ATOM 10 CA ALA 6 8.590 -7.574 0.664 0.028
-ATOM 11 CB ALA 6 8.336 -8.323 0.663 0.051
-ATOM 12 CA ALA 7 12.398 -7.626 0.734 0.097
-ATOM 13 CB ALA 7 12.679 -7.716 1.448 0.111
-ATOM 14 CA ALA 8 14.007 -10.871 -0.461 0.007
-ATOM 15 CB ALA 8 14.396 -11.208 -1.020 0.064
-ATOM 16 CA ALA 9 16.454 -12.879 1.759 0.100
-ATOM 17 CB ALA 9 16.224 -13.506 2.181 0.010
-ATOM 18 CA ALA 10 19.488 -15.077 1.062 0.015
-ATOM 19 CB ALA 10 20.159 -14.928 1.300 0.015
-ATOM 20 CA ALA 11 19.659 -18.844 1.413 0.057
-ATOM 21 CB ALA 11 20.044 -18.970 0.810 0.064
-ATOM 22 CA ALA 12 22.335 -21.016 2.999 0.064
-ATOM 23 CB ALA 12 22.406 -21.649 3.435 0.130
-ATOM 24 CA ALA 13 25.418 -22.386 1.388 0.086
-ATOM 25 CB ALA 13 25.869 -22.118 0.897 0.046
-ATOM 26 CA CYS 14 27.595 -25.450 2.074 0.016
-ATOM 27 CB CYS 14 26.867 -26.357 1.812 0.001
-ATOM 28 CA ALA 15 30.855 -26.577 0.377 0.031
-ATOM 29 CB ALA 15 31.286 -26.671 1.026 0.069
-ATOM 30 CA ALA 16 31.236 -29.548 -1.982 0.026
-ATOM 31 CB ALA 16 31.156 -29.409 -2.694 0.012
-ATOM 32 CA ALA 17 32.279 -33.208 -1.725 0.019
-ATOM 33 CB ALA 17 31.703 -33.488 -1.307 0.008
-ATOM 34 CA GLY 18 33.113 -35.549 -4.514 0.000
+ATOM 1 CA GLY 1 22.229 -5.082 2.625 0.003
+ATOM 2 CA ALA 2 19.076 -7.238 2.544 0.038
+ATOM 3 CB ALA 2 19.145 -7.806 3.048 0.051
+ATOM 4 CA ALA 3 15.668 -7.232 0.904 0.013
+ATOM 5 CB ALA 3 15.951 -7.032 0.325 0.083
+ATOM 6 CA ALA 4 13.200 -10.136 1.335 0.027
+ATOM 7 CB ALA 4 12.532 -10.094 1.676 0.034
+ATOM 8 CA CYS 5 14.230 -13.006 -0.886 0.073
+ATOM 9 CB CYS 5 14.969 -13.869 -0.526 0.012
+ATOM 10 CA ALA 6 12.772 -14.395 -4.153 0.005
+ATOM 11 CB ALA 6 12.997 -14.407 -4.885 0.233
+ATOM 12 CA ALA 7 13.531 -18.078 -3.174 0.044
+ATOM 13 CB ALA 7 14.099 -18.555 -3.189 0.119
+ATOM 14 CA ALA 8 12.195 -17.775 0.342 0.045
+ATOM 15 CB ALA 8 12.066 -17.149 0.667 0.031
+ATOM 16 CA ALA 9 10.111 -20.922 0.029 0.018
+ATOM 17 CB ALA 9 9.750 -20.902 -0.586 0.093
+ATOM 18 CA ALA 10 12.907 -22.850 1.739 0.009
+ATOM 19 CB ALA 10 13.412 -22.905 1.166 0.039
+ATOM 20 CA ALA 11 14.108 -22.903 5.386 0.024
+ATOM 21 CB ALA 11 14.016 -23.484 5.765 0.020
+ATOM 22 CA ALA 12 17.541 -21.637 4.459 0.009
+ATOM 23 CB ALA 12 17.658 -21.929 3.759 0.041
+ATOM 24 CA ALA 13 18.401 -18.040 3.819 0.027
+ATOM 25 CB ALA 13 19.031 -17.927 4.261 0.005
+ATOM 26 CA CYS 14 19.236 -16.278 0.460 0.059
+ATOM 27 CB CYS 14 18.135 -15.956 -0.098 0.022
+ATOM 28 CA ALA 15 22.639 -14.907 -0.728 0.055
+ATOM 29 CB ALA 15 23.272 -15.270 -1.078 0.042
+ATOM 30 CA ALA 16 23.237 -11.801 -2.887 0.063
+ATOM 31 CB ALA 16 23.351 -11.283 -2.416 0.004
+ATOM 32 CA ALA 17 24.978 -11.444 -6.211 0.039
+ATOM 33 CB ALA 17 24.681 -11.790 -6.792 0.020
+ATOM 34 CA GLY 18 27.794 -8.978 -6.700 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3256.61 ENERGY -2.74848E-01
+REMARK time 3477.26 ENERGY 5.98326E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 2.365 1.599 -5.480 0.009
-ATOM 2 CA ALA 2 0.090 1.797 -2.522 0.016
-ATOM 3 CB ALA 2 -0.533 2.196 -2.597 0.086
-ATOM 4 CA ALA 3 0.761 -1.845 -1.596 0.025
-ATOM 5 CB ALA 3 0.535 -2.398 -2.031 0.065
-ATOM 6 CA ALA 4 3.844 -3.181 0.266 0.036
-ATOM 7 CB ALA 4 3.625 -3.272 1.059 0.077
-ATOM 8 CA CYS 5 7.133 -4.824 -0.584 0.017
-ATOM 9 CB CYS 5 7.906 -3.890 -0.832 0.011
-ATOM 10 CA ALA 6 9.007 -7.135 1.739 0.007
-ATOM 11 CB ALA 6 8.629 -7.746 1.455 0.033
-ATOM 12 CA ALA 7 12.779 -7.344 1.313 0.005
-ATOM 13 CB ALA 7 12.709 -7.231 2.088 0.157
-ATOM 14 CA ALA 8 14.315 -10.385 -0.296 0.057
-ATOM 15 CB ALA 8 14.330 -10.226 -0.953 0.033
-ATOM 16 CA ALA 9 16.068 -13.203 1.368 0.005
-ATOM 17 CB ALA 9 15.477 -13.561 1.583 0.077
-ATOM 18 CA ALA 10 18.896 -15.659 1.726 0.188
-ATOM 19 CB ALA 10 19.498 -15.717 2.075 0.027
-ATOM 20 CA ALA 11 19.027 -19.411 0.992 0.043
-ATOM 21 CB ALA 11 19.440 -19.753 0.447 0.148
-ATOM 22 CA ALA 12 22.017 -21.195 2.744 0.020
-ATOM 23 CB ALA 12 22.144 -21.720 3.183 0.026
-ATOM 24 CA ALA 13 25.228 -21.914 0.855 0.016
-ATOM 25 CB ALA 13 25.542 -21.300 0.423 0.043
-ATOM 26 CA CYS 14 27.102 -25.273 1.097 0.027
-ATOM 27 CB CYS 14 26.630 -26.381 1.131 0.020
-ATOM 28 CA ALA 15 30.573 -26.769 0.420 0.002
-ATOM 29 CB ALA 15 31.168 -26.860 0.844 0.084
-ATOM 30 CA ALA 16 31.184 -29.472 -2.298 0.013
-ATOM 31 CB ALA 16 31.252 -29.477 -3.062 0.033
-ATOM 32 CA ALA 17 32.288 -32.779 -1.065 0.012
-ATOM 33 CB ALA 17 31.746 -33.247 -0.892 0.040
-ATOM 34 CA GLY 18 34.589 -35.152 -3.061 0.000
+ATOM 1 CA GLY 1 22.914 -3.405 -0.082 0.019
+ATOM 2 CA ALA 2 19.885 -4.878 1.680 0.054
+ATOM 3 CB ALA 2 19.181 -5.043 1.963 0.154
+ATOM 4 CA ALA 3 17.697 -7.414 -0.288 0.007
+ATOM 5 CB ALA 3 17.976 -8.058 -0.520 0.017
+ATOM 6 CA ALA 4 14.206 -8.909 -0.116 0.057
+ATOM 7 CB ALA 4 13.906 -8.463 -0.565 0.065
+ATOM 8 CA CYS 5 13.883 -12.650 -0.627 0.006
+ATOM 9 CB CYS 5 15.100 -12.827 -0.796 0.032
+ATOM 10 CA ALA 6 10.597 -14.749 -0.337 0.038
+ATOM 11 CB ALA 6 9.945 -14.845 -0.699 0.151
+ATOM 12 CA ALA 7 10.267 -18.444 0.159 0.029
+ATOM 13 CB ALA 7 10.486 -18.592 -0.578 0.333
+ATOM 14 CA ALA 8 9.959 -21.373 2.577 0.014
+ATOM 15 CB ALA 8 9.435 -21.367 3.108 0.009
+ATOM 16 CA ALA 9 9.234 -23.934 -0.191 0.019
+ATOM 17 CB ALA 9 8.825 -23.683 -0.753 0.007
+ATOM 18 CA ALA 10 12.970 -24.711 -0.761 0.047
+ATOM 19 CB ALA 10 13.410 -24.304 -1.252 0.049
+ATOM 20 CA ALA 11 15.526 -23.822 1.908 0.020
+ATOM 21 CB ALA 11 16.136 -24.235 2.072 0.029
+ATOM 22 CA ALA 12 16.540 -20.155 1.491 0.047
+ATOM 23 CB ALA 12 16.092 -19.882 0.948 0.059
+ATOM 24 CA ALA 13 18.275 -17.404 3.411 0.003
+ATOM 25 CB ALA 13 18.816 -17.544 3.931 0.058
+ATOM 26 CA CYS 14 19.084 -14.376 1.300 0.024
+ATOM 27 CB CYS 14 18.410 -13.423 0.944 0.008
+ATOM 28 CA ALA 15 22.661 -14.462 -0.191 0.020
+ATOM 29 CB ALA 15 23.024 -15.123 -0.215 0.015
+ATOM 30 CA ALA 16 24.550 -11.576 -1.776 0.016
+ATOM 31 CB ALA 16 24.857 -11.033 -1.342 0.011
+ATOM 32 CA ALA 17 26.944 -11.990 -4.642 0.027
+ATOM 33 CB ALA 17 26.947 -12.053 -5.267 0.052
+ATOM 34 CA GLY 18 30.622 -11.010 -5.324 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3275.27 ENERGY -2.42322E+00
+REMARK time 3505.76 ENERGY -1.69751E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 1.302 1.806 -6.208 0.001
-ATOM 2 CA ALA 2 -0.616 1.992 -2.863 0.031
-ATOM 3 CB ALA 2 -1.390 2.145 -2.794 0.031
-ATOM 4 CA ALA 3 0.592 -1.435 -1.882 0.002
-ATOM 5 CB ALA 3 0.602 -2.091 -2.277 0.028
-ATOM 6 CA ALA 4 3.638 -2.377 0.315 0.014
-ATOM 7 CB ALA 4 3.615 -2.700 1.064 0.011
-ATOM 8 CA CYS 5 6.681 -4.389 -0.795 0.003
-ATOM 9 CB CYS 5 7.770 -3.724 -1.043 0.010
-ATOM 10 CA ALA 6 8.984 -6.061 1.814 0.008
-ATOM 11 CB ALA 6 8.497 -6.158 2.391 0.056
-ATOM 12 CA ALA 7 12.536 -7.479 1.651 0.015
-ATOM 13 CB ALA 7 13.066 -7.269 2.186 0.078
-ATOM 14 CA ALA 8 14.024 -10.861 0.554 0.022
-ATOM 15 CB ALA 8 14.085 -10.600 -0.116 0.041
-ATOM 16 CA ALA 9 16.338 -13.174 2.400 0.001
-ATOM 17 CB ALA 9 15.791 -13.283 2.879 0.049
-ATOM 18 CA ALA 10 18.935 -15.750 1.364 0.104
-ATOM 19 CB ALA 10 19.159 -15.108 1.494 0.065
-ATOM 20 CA ALA 11 19.479 -19.451 1.103 0.089
-ATOM 21 CB ALA 11 19.060 -19.532 0.481 0.157
-ATOM 22 CA ALA 12 22.270 -21.713 2.453 0.037
-ATOM 23 CB ALA 12 22.362 -22.378 2.789 0.094
-ATOM 24 CA ALA 13 25.555 -22.586 0.875 0.023
-ATOM 25 CB ALA 13 25.600 -21.847 1.189 0.080
-ATOM 26 CA CYS 14 27.021 -26.090 0.568 0.024
-ATOM 27 CB CYS 14 26.132 -26.151 -0.265 0.053
-ATOM 28 CA ALA 15 30.685 -26.975 0.169 0.005
-ATOM 29 CB ALA 15 31.075 -27.334 0.739 0.079
-ATOM 30 CA ALA 16 31.452 -29.942 -2.083 0.025
-ATOM 31 CB ALA 16 31.772 -29.791 -2.683 0.008
-ATOM 32 CA ALA 17 33.408 -33.038 -0.958 0.027
-ATOM 33 CB ALA 17 32.888 -33.405 -0.739 0.041
-ATOM 34 CA GLY 18 35.404 -35.882 -2.649 0.000
+ATOM 1 CA GLY 1 18.212 -2.416 -4.569 0.058
+ATOM 2 CA ALA 2 17.005 -3.917 -1.266 0.012
+ATOM 3 CB ALA 2 16.505 -4.272 -0.821 0.018
+ATOM 4 CA ALA 3 18.598 -7.247 -0.601 0.021
+ATOM 5 CB ALA 3 19.045 -7.041 -0.065 0.032
+ATOM 6 CA ALA 4 16.686 -9.772 1.619 0.065
+ATOM 7 CB ALA 4 16.134 -9.577 2.001 0.195
+ATOM 8 CA CYS 5 15.440 -13.221 0.745 0.021
+ATOM 9 CB CYS 5 16.332 -14.140 0.617 0.036
+ATOM 10 CA ALA 6 11.714 -14.101 1.246 0.015
+ATOM 11 CB ALA 6 11.243 -13.746 0.773 0.059
+ATOM 12 CA ALA 7 9.851 -17.269 0.089 0.041
+ATOM 13 CB ALA 7 9.876 -17.124 -0.598 0.020
+ATOM 14 CA ALA 8 8.653 -20.606 1.299 0.013
+ATOM 15 CB ALA 8 7.953 -20.428 1.621 0.159
+ATOM 16 CA ALA 9 7.431 -23.730 -0.304 0.035
+ATOM 17 CB ALA 9 6.885 -23.763 -0.765 0.020
+ATOM 18 CA ALA 10 10.914 -25.407 -0.215 0.016
+ATOM 19 CB ALA 10 11.167 -25.707 -0.824 0.031
+ATOM 20 CA ALA 11 13.354 -23.049 1.461 0.004
+ATOM 21 CB ALA 11 13.255 -22.970 2.231 0.053
+ATOM 22 CA ALA 12 16.597 -21.344 0.552 0.033
+ATOM 23 CB ALA 12 16.484 -21.034 -0.041 0.043
+ATOM 24 CA ALA 13 19.616 -19.497 1.880 0.006
+ATOM 25 CB ALA 13 20.059 -20.049 1.912 0.028
+ATOM 26 CA CYS 14 20.876 -15.962 1.289 0.002
+ATOM 27 CB CYS 14 19.887 -15.243 1.113 0.054
+ATOM 28 CA ALA 15 24.345 -14.850 -0.094 0.021
+ATOM 29 CB ALA 15 24.569 -15.449 -0.584 0.033
+ATOM 30 CA ALA 16 25.683 -11.367 -0.351 0.009
+ATOM 31 CB ALA 16 26.095 -11.059 0.203 0.083
+ATOM 32 CA ALA 17 27.620 -10.176 -3.473 0.018
+ATOM 33 CB ALA 17 27.049 -9.871 -3.831 0.201
+ATOM 34 CA GLY 18 30.416 -7.669 -4.106 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3295.01 ENERGY -5.30155E-01
+REMARK time 3530.70 ENERGY 3.28562E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 1.181 1.050 -6.458 0.015
-ATOM 2 CA ALA 2 -0.211 2.280 -3.144 0.004
-ATOM 3 CB ALA 2 -0.865 2.274 -3.328 0.029
-ATOM 4 CA ALA 3 0.540 -0.991 -1.412 0.017
-ATOM 5 CB ALA 3 -0.051 -1.165 -1.859 0.064
-ATOM 6 CA ALA 4 3.754 -2.023 0.265 0.005
-ATOM 7 CB ALA 4 3.571 -2.173 0.962 0.065
-ATOM 8 CA CYS 5 6.609 -4.475 -0.519 0.011
-ATOM 9 CB CYS 5 7.344 -3.902 -1.317 0.025
-ATOM 10 CA ALA 6 8.813 -6.479 1.700 0.008
-ATOM 11 CB ALA 6 8.694 -6.896 2.207 0.052
-ATOM 12 CA ALA 7 12.334 -7.813 1.332 0.010
-ATOM 13 CB ALA 7 12.875 -7.348 1.407 0.008
-ATOM 14 CA ALA 8 13.728 -11.312 1.133 0.011
-ATOM 15 CB ALA 8 13.997 -11.782 0.653 0.092
-ATOM 16 CA ALA 9 16.296 -13.065 3.315 0.039
-ATOM 17 CB ALA 9 16.344 -13.719 3.688 0.125
-ATOM 18 CA ALA 10 19.293 -15.260 2.666 0.003
-ATOM 19 CB ALA 10 19.798 -14.991 3.156 0.044
-ATOM 20 CA ALA 11 19.929 -18.948 1.655 0.007
-ATOM 21 CB ALA 11 19.668 -18.897 0.990 0.013
-ATOM 22 CA ALA 12 23.266 -20.981 1.527 0.000
-ATOM 23 CB ALA 12 23.629 -21.258 2.102 0.244
-ATOM 24 CA ALA 13 24.744 -22.893 -1.401 0.044
-ATOM 25 CB ALA 13 25.328 -22.499 -1.513 0.056
-ATOM 26 CA CYS 14 26.115 -26.326 -0.295 0.023
-ATOM 27 CB CYS 14 25.858 -27.184 -1.011 0.005
-ATOM 28 CA ALA 15 29.773 -27.174 0.282 0.059
-ATOM 29 CB ALA 15 29.673 -27.605 1.008 0.043
-ATOM 30 CA ALA 16 31.973 -29.715 -1.599 0.045
-ATOM 31 CB ALA 16 32.624 -29.492 -1.715 0.173
-ATOM 32 CA ALA 17 33.114 -33.185 -0.527 0.014
-ATOM 33 CB ALA 17 32.597 -33.434 -0.172 0.021
-ATOM 34 CA GLY 18 36.452 -34.576 -1.836 0.000
+ATOM 1 CA GLY 1 14.064 -4.140 -4.733 0.003
+ATOM 2 CA ALA 2 16.005 -5.069 -1.613 0.021
+ATOM 3 CB ALA 2 15.572 -4.814 -0.954 0.016
+ATOM 4 CA ALA 3 18.587 -7.908 -1.408 0.017
+ATOM 5 CB ALA 3 19.281 -7.777 -1.697 0.068
+ATOM 6 CA ALA 4 18.701 -10.372 1.431 0.032
+ATOM 7 CB ALA 4 18.519 -10.067 2.081 0.043
+ATOM 8 CA CYS 5 16.635 -13.457 0.487 0.035
+ATOM 9 CB CYS 5 17.007 -14.503 -0.132 0.017
+ATOM 10 CA ALA 6 12.909 -13.079 -0.003 0.016
+ATOM 11 CB ALA 6 13.013 -12.495 -0.529 0.228
+ATOM 12 CA ALA 7 12.013 -16.710 -0.463 0.062
+ATOM 13 CB ALA 7 12.549 -16.761 -1.010 0.087
+ATOM 14 CA ALA 8 10.168 -19.001 1.949 0.015
+ATOM 15 CB ALA 8 9.451 -18.755 2.009 0.063
+ATOM 16 CA ALA 9 8.144 -21.504 -0.037 0.042
+ATOM 17 CB ALA 9 8.126 -21.787 -0.755 0.028
+ATOM 18 CA ALA 10 10.130 -24.451 1.479 0.006
+ATOM 19 CB ALA 10 10.596 -24.757 0.928 0.114
+ATOM 20 CA ALA 11 13.308 -23.302 3.114 0.038
+ATOM 21 CB ALA 11 13.781 -23.445 3.615 0.078
+ATOM 22 CA ALA 12 15.649 -21.942 0.391 0.002
+ATOM 23 CB ALA 12 15.512 -21.269 0.253 0.128
+ATOM 24 CA ALA 13 19.283 -20.561 0.482 0.006
+ATOM 25 CB ALA 13 19.789 -21.082 0.636 0.054
+ATOM 26 CA CYS 14 20.499 -17.334 -1.068 0.016
+ATOM 27 CB CYS 14 19.728 -16.771 -0.355 0.049
+ATOM 28 CA ALA 15 23.545 -15.165 -1.261 0.033
+ATOM 29 CB ALA 15 24.091 -15.062 -1.707 0.068
+ATOM 30 CA ALA 16 24.821 -12.128 0.648 0.022
+ATOM 31 CB ALA 16 25.118 -12.392 1.162 0.080
+ATOM 32 CA ALA 17 25.500 -8.700 -0.880 0.044
+ATOM 33 CB ALA 17 25.058 -8.105 -0.793 0.020
+ATOM 34 CA GLY 18 28.614 -6.586 -1.094 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3319.49 ENERGY -4.26578E+00
+REMARK time 3550.48 ENERGY 1.04429E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 0.663 -0.260 -6.677 0.009
-ATOM 2 CA ALA 2 1.252 2.362 -3.978 0.022
-ATOM 3 CB ALA 2 1.244 3.007 -3.469 0.017
-ATOM 4 CA ALA 3 1.646 -0.174 -1.150 0.038
-ATOM 5 CB ALA 3 0.999 -0.544 -0.944 0.014
-ATOM 6 CA ALA 4 4.512 -2.002 0.446 0.005
-ATOM 7 CB ALA 4 4.698 -1.799 1.140 0.023
-ATOM 8 CA CYS 5 5.912 -5.524 -0.043 0.001
-ATOM 9 CB CYS 5 5.885 -5.637 -1.343 0.030
-ATOM 10 CA ALA 6 8.002 -7.796 2.221 0.009
-ATOM 11 CB ALA 6 7.930 -8.385 2.653 0.025
-ATOM 12 CA ALA 7 11.801 -8.073 2.017 0.037
-ATOM 13 CB ALA 7 12.243 -7.934 2.712 0.002
-ATOM 14 CA ALA 8 13.926 -11.100 1.188 0.029
-ATOM 15 CB ALA 8 14.209 -11.270 0.523 0.028
-ATOM 16 CA ALA 9 16.615 -12.776 3.227 0.012
-ATOM 17 CB ALA 9 16.647 -13.117 3.838 0.216
-ATOM 18 CA ALA 10 19.759 -14.617 2.091 0.009
-ATOM 19 CB ALA 10 20.346 -14.927 2.283 0.069
-ATOM 20 CA ALA 11 19.872 -18.319 1.178 0.031
-ATOM 21 CB ALA 11 19.946 -18.520 0.373 0.101
-ATOM 22 CA ALA 12 22.456 -21.010 1.382 0.002
-ATOM 23 CB ALA 12 22.244 -21.680 1.712 0.048
-ATOM 24 CA ALA 13 25.123 -21.962 -1.174 0.003
-ATOM 25 CB ALA 13 25.190 -21.215 -1.099 0.026
-ATOM 26 CA CYS 14 26.058 -25.744 -1.109 0.060
-ATOM 27 CB CYS 14 25.834 -26.570 -1.953 0.016
-ATOM 28 CA ALA 15 29.634 -27.060 -1.146 0.025
-ATOM 29 CB ALA 15 30.106 -26.988 -0.566 0.345
-ATOM 30 CA ALA 16 31.104 -30.649 -1.685 0.032
-ATOM 31 CB ALA 16 31.730 -30.758 -2.068 0.021
-ATOM 32 CA ALA 17 32.990 -33.172 0.476 0.019
-ATOM 33 CB ALA 17 32.850 -33.817 0.656 0.061
-ATOM 34 CA GLY 18 36.746 -33.124 1.121 0.000
+ATOM 1 CA GLY 1 14.759 -3.446 -3.767 0.001
+ATOM 2 CA ALA 2 15.382 -6.912 -2.277 0.015
+ATOM 3 CB ALA 2 14.892 -7.337 -2.474 0.015
+ATOM 4 CA ALA 3 18.907 -7.934 -1.193 0.020
+ATOM 5 CB ALA 3 19.527 -7.576 -1.106 0.028
+ATOM 6 CA ALA 4 17.315 -10.306 1.410 0.039
+ATOM 7 CB ALA 4 17.118 -10.011 2.086 0.161
+ATOM 8 CA CYS 5 15.996 -13.841 0.515 0.019
+ATOM 9 CB CYS 5 16.525 -15.013 0.341 0.049
+ATOM 10 CA ALA 6 12.697 -12.798 -1.224 0.003
+ATOM 11 CB ALA 6 12.576 -12.187 -1.538 0.003
+ATOM 12 CA ALA 7 11.745 -16.320 -2.137 0.107
+ATOM 13 CB ALA 7 12.287 -16.718 -2.178 0.051
+ATOM 14 CA ALA 8 11.786 -17.363 1.502 0.055
+ATOM 15 CB ALA 8 12.153 -16.813 1.773 0.021
+ATOM 16 CA ALA 9 8.662 -19.462 2.204 0.070
+ATOM 17 CB ALA 9 8.011 -19.537 1.750 0.033
+ATOM 18 CA ALA 10 10.865 -22.584 2.573 0.032
+ATOM 19 CB ALA 10 10.676 -23.291 2.460 0.079
+ATOM 20 CA ALA 11 14.591 -21.949 1.984 0.002
+ATOM 21 CB ALA 11 14.323 -22.064 2.664 0.030
+ATOM 22 CA ALA 12 17.241 -23.650 -0.122 0.012
+ATOM 23 CB ALA 12 17.028 -23.580 -0.896 0.136
+ATOM 24 CA ALA 13 20.291 -21.488 -0.009 0.007
+ATOM 25 CB ALA 13 20.872 -21.899 -0.051 0.066
+ATOM 26 CA CYS 14 20.475 -17.723 -0.905 0.031
+ATOM 27 CB CYS 14 19.713 -16.771 -0.642 0.017
+ATOM 28 CA ALA 15 23.245 -15.367 -2.125 0.009
+ATOM 29 CB ALA 15 23.485 -15.253 -2.850 0.061
+ATOM 30 CA ALA 16 24.097 -13.138 0.725 0.057
+ATOM 31 CB ALA 16 24.371 -13.170 1.347 0.097
+ATOM 32 CA ALA 17 24.632 -9.422 0.093 0.000
+ATOM 33 CB ALA 17 23.989 -9.563 -0.299 0.067
+ATOM 34 CA GLY 18 25.608 -6.610 2.345 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3345.99 ENERGY -2.03179E+00
+REMARK time 3575.97 ENERGY 7.94330E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 0.865 -0.426 -6.639 0.013
-ATOM 2 CA ALA 2 1.944 2.105 -3.959 0.013
-ATOM 3 CB ALA 2 1.458 2.614 -3.881 0.014
-ATOM 4 CA ALA 3 1.900 -0.595 -1.293 0.093
-ATOM 5 CB ALA 3 1.436 -1.081 -1.474 0.051
-ATOM 6 CA ALA 4 5.031 -1.602 0.616 0.034
-ATOM 7 CB ALA 4 5.293 -1.553 1.272 0.122
-ATOM 8 CA CYS 5 5.931 -5.247 1.042 0.016
-ATOM 9 CB CYS 5 6.223 -4.999 -0.131 0.005
-ATOM 10 CA ALA 6 8.463 -7.400 2.808 0.002
-ATOM 11 CB ALA 6 8.200 -7.714 3.430 0.038
-ATOM 12 CA ALA 7 11.808 -8.439 1.493 0.004
-ATOM 13 CB ALA 7 12.494 -8.157 1.491 0.046
-ATOM 14 CA ALA 8 12.907 -11.999 1.145 0.018
-ATOM 15 CB ALA 8 12.792 -12.393 0.562 0.063
-ATOM 16 CA ALA 9 15.760 -13.721 2.856 0.017
-ATOM 17 CB ALA 9 15.188 -14.226 2.671 0.198
-ATOM 18 CA ALA 10 19.052 -15.127 1.578 0.005
-ATOM 19 CB ALA 10 19.634 -15.063 1.985 0.048
-ATOM 20 CA ALA 11 19.878 -18.557 0.421 0.012
-ATOM 21 CB ALA 11 19.813 -18.954 -0.162 0.043
-ATOM 22 CA ALA 12 23.218 -20.207 1.244 0.019
-ATOM 23 CB ALA 12 23.910 -20.468 1.235 0.181
-ATOM 24 CA ALA 13 24.686 -21.990 -1.866 0.050
-ATOM 25 CB ALA 13 25.330 -21.989 -2.314 0.061
-ATOM 26 CA CYS 14 26.230 -25.397 -1.135 0.012
-ATOM 27 CB CYS 14 25.718 -26.318 -1.689 0.155
-ATOM 28 CA ALA 15 29.716 -26.558 -0.279 0.013
-ATOM 29 CB ALA 15 30.183 -26.306 0.298 0.023
-ATOM 30 CA ALA 16 32.195 -29.378 -0.979 0.006
-ATOM 31 CB ALA 16 32.812 -29.750 -1.199 0.020
-ATOM 32 CA ALA 17 32.418 -32.746 0.687 0.021
-ATOM 33 CB ALA 17 31.971 -33.391 0.725 0.060
-ATOM 34 CA GLY 18 35.498 -34.969 0.553 0.000
+ATOM 1 CA GLY 1 13.769 -3.745 -4.506 0.001
+ATOM 2 CA ALA 2 14.763 -7.014 -2.797 0.016
+ATOM 3 CB ALA 2 14.385 -7.667 -2.976 0.033
+ATOM 4 CA ALA 3 18.336 -8.082 -2.107 0.003
+ATOM 5 CB ALA 3 19.008 -7.854 -2.074 0.087
+ATOM 6 CA ALA 4 17.335 -9.860 1.100 0.043
+ATOM 7 CB ALA 4 16.775 -9.444 1.362 0.102
+ATOM 8 CA CYS 5 16.442 -13.611 0.775 0.022
+ATOM 9 CB CYS 5 17.152 -14.433 0.189 0.010
+ATOM 10 CA ALA 6 12.789 -13.076 -0.080 0.060
+ATOM 11 CB ALA 6 12.687 -12.385 -0.282 0.015
+ATOM 12 CA ALA 7 12.587 -16.463 -1.677 0.051
+ATOM 13 CB ALA 7 13.145 -16.828 -1.438 0.076
+ATOM 14 CA ALA 8 11.456 -17.862 1.657 0.016
+ATOM 15 CB ALA 8 11.520 -17.219 2.124 0.050
+ATOM 16 CA ALA 9 8.370 -20.085 2.385 0.064
+ATOM 17 CB ALA 9 7.673 -20.336 2.126 0.002
+ATOM 18 CA ALA 10 10.355 -23.285 1.739 0.077
+ATOM 19 CB ALA 10 10.218 -23.736 1.109 0.023
+ATOM 20 CA ALA 11 13.954 -23.010 2.921 0.005
+ATOM 21 CB ALA 11 14.209 -23.224 3.520 0.011
+ATOM 22 CA ALA 12 16.296 -21.729 0.126 0.014
+ATOM 23 CB ALA 12 15.774 -21.525 -0.350 0.094
+ATOM 24 CA ALA 13 19.986 -20.971 -0.396 0.057
+ATOM 25 CB ALA 13 19.889 -21.618 -0.716 0.049
+ATOM 26 CA CYS 14 20.616 -17.631 -1.811 0.022
+ATOM 27 CB CYS 14 19.542 -17.173 -1.272 0.009
+ATOM 28 CA ALA 15 23.982 -15.711 -1.474 0.016
+ATOM 29 CB ALA 15 24.685 -15.412 -1.825 0.059
+ATOM 30 CA ALA 16 24.378 -12.374 0.505 0.035
+ATOM 31 CB ALA 16 24.537 -12.458 1.221 0.025
+ATOM 32 CA ALA 17 26.114 -9.038 0.322 0.042
+ATOM 33 CB ALA 17 25.976 -8.956 -0.434 0.002
+ATOM 34 CA GLY 18 26.697 -7.422 3.638 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3371.99 ENERGY -9.09692E+00
+REMARK time 3598.86 ENERGY 3.21872E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 0.110 -0.147 -6.101 0.010
-ATOM 2 CA ALA 2 1.086 2.558 -3.678 0.024
-ATOM 3 CB ALA 2 0.542 3.013 -3.870 0.016
-ATOM 4 CA ALA 3 1.756 0.155 -0.828 0.014
-ATOM 5 CB ALA 3 1.272 -0.393 -0.646 0.037
-ATOM 6 CA ALA 4 5.003 -1.494 0.299 0.004
-ATOM 7 CB ALA 4 5.018 -1.228 0.963 0.177
-ATOM 8 CA CYS 5 6.579 -4.921 -0.076 0.008
-ATOM 9 CB CYS 5 7.452 -4.868 -0.941 0.035
-ATOM 10 CA ALA 6 8.339 -6.821 2.588 0.007
-ATOM 11 CB ALA 6 8.143 -7.475 2.789 0.069
-ATOM 12 CA ALA 7 11.652 -8.647 2.723 0.009
-ATOM 13 CB ALA 7 12.333 -8.240 2.976 0.003
-ATOM 14 CA ALA 8 12.240 -12.387 1.923 0.031
-ATOM 15 CB ALA 8 11.972 -12.881 1.312 0.184
-ATOM 16 CA ALA 9 15.495 -14.233 2.522 0.062
-ATOM 17 CB ALA 9 15.860 -14.694 2.949 0.039
-ATOM 18 CA ALA 10 17.676 -15.833 -0.190 0.009
-ATOM 19 CB ALA 10 18.293 -15.446 -0.341 0.092
-ATOM 20 CA ALA 11 19.575 -19.137 -0.154 0.005
-ATOM 21 CB ALA 11 19.260 -19.743 -0.472 0.062
-ATOM 22 CA ALA 12 23.315 -19.440 0.455 0.040
-ATOM 23 CB ALA 12 23.371 -19.474 1.211 0.199
-ATOM 24 CA ALA 13 25.963 -21.806 -0.700 0.002
-ATOM 25 CB ALA 13 25.997 -21.200 -1.203 0.167
-ATOM 26 CA CYS 14 27.244 -25.298 0.007 0.067
-ATOM 27 CB CYS 14 26.894 -26.258 -0.750 0.066
-ATOM 28 CA ALA 15 30.686 -26.823 0.218 0.009
-ATOM 29 CB ALA 15 31.186 -27.067 0.796 0.096
-ATOM 30 CA ALA 16 31.503 -30.002 -1.760 0.003
-ATOM 31 CB ALA 16 31.909 -30.127 -2.331 0.066
-ATOM 32 CA ALA 17 32.515 -32.932 0.315 0.007
-ATOM 33 CB ALA 17 32.008 -33.447 0.305 0.028
-ATOM 34 CA GLY 18 35.511 -35.348 0.826 0.000
+ATOM 1 CA GLY 1 11.954 -6.861 -6.007 0.049
+ATOM 2 CA ALA 2 14.163 -7.857 -3.057 0.014
+ATOM 3 CB ALA 2 14.045 -8.034 -2.370 0.009
+ATOM 4 CA ALA 3 17.610 -9.394 -3.520 0.016
+ATOM 5 CB ALA 3 18.291 -9.020 -3.492 0.050
+ATOM 6 CA ALA 4 17.444 -10.866 -0.027 0.043
+ATOM 7 CB ALA 4 17.508 -10.245 0.462 0.075
+ATOM 8 CA CYS 5 16.022 -13.733 2.001 0.024
+ATOM 9 CB CYS 5 16.537 -14.534 1.171 0.011
+ATOM 10 CA ALA 6 12.566 -12.045 1.853 0.087
+ATOM 11 CB ALA 6 12.527 -11.586 1.320 0.034
+ATOM 12 CA ALA 7 10.876 -15.309 1.038 0.127
+ATOM 13 CB ALA 7 10.813 -15.144 0.304 0.024
+ATOM 14 CA ALA 8 10.237 -18.616 2.712 0.007
+ATOM 15 CB ALA 8 10.194 -18.568 3.393 0.050
+ATOM 16 CA ALA 9 7.794 -21.297 1.367 0.024
+ATOM 17 CB ALA 9 7.194 -21.335 1.028 0.135
+ATOM 18 CA ALA 10 10.534 -23.362 -0.158 0.020
+ATOM 19 CB ALA 10 10.669 -23.276 -0.922 0.053
+ATOM 20 CA ALA 11 14.268 -23.489 0.894 0.028
+ATOM 21 CB ALA 11 14.712 -23.987 1.062 0.029
+ATOM 22 CA ALA 12 15.814 -20.442 -0.750 0.020
+ATOM 23 CB ALA 12 15.783 -19.861 -0.319 0.047
+ATOM 24 CA ALA 13 19.366 -19.568 0.477 0.008
+ATOM 25 CB ALA 13 19.621 -20.201 0.107 0.093
+ATOM 26 CA CYS 14 20.899 -16.408 -1.059 0.017
+ATOM 27 CB CYS 14 19.888 -15.906 -0.477 0.036
+ATOM 28 CA ALA 15 24.404 -15.012 -0.696 0.013
+ATOM 29 CB ALA 15 25.064 -15.025 -1.025 0.027
+ATOM 30 CA ALA 16 26.185 -12.306 1.236 0.009
+ATOM 31 CB ALA 16 26.116 -12.314 1.921 0.022
+ATOM 32 CA ALA 17 28.471 -9.693 -0.543 0.009
+ATOM 33 CB ALA 17 28.417 -9.083 -0.914 0.042
+ATOM 34 CA GLY 18 29.925 -7.509 2.123 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3401.99 ENERGY -3.06026E+00
+REMARK time 3622.49 ENERGY 4.17000E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.662 3.866 -4.273 0.025
-ATOM 2 CA ALA 2 1.684 0.926 -3.940 0.012
-ATOM 3 CB ALA 2 2.283 0.681 -4.395 0.043
-ATOM 4 CA ALA 3 1.560 -0.418 -0.378 0.008
-ATOM 5 CB ALA 3 1.141 -0.839 -0.046 0.068
-ATOM 6 CA ALA 4 4.601 -1.699 1.465 0.021
-ATOM 7 CB ALA 4 4.892 -1.525 2.150 0.040
-ATOM 8 CA CYS 5 6.520 -4.659 0.131 0.012
-ATOM 9 CB CYS 5 6.513 -4.441 -1.024 0.014
-ATOM 10 CA ALA 6 9.070 -6.550 2.205 0.022
-ATOM 11 CB ALA 6 9.159 -6.743 2.817 0.024
-ATOM 12 CA ALA 7 11.651 -8.656 0.450 0.002
-ATOM 13 CB ALA 7 11.924 -7.989 0.314 0.029
-ATOM 14 CA ALA 8 12.197 -12.376 0.068 0.035
-ATOM 15 CB ALA 8 12.046 -12.522 -0.616 0.156
-ATOM 16 CA ALA 9 14.400 -15.008 1.580 0.010
-ATOM 17 CB ALA 9 13.807 -15.417 1.373 0.130
-ATOM 18 CA ALA 10 18.059 -15.435 0.865 0.015
-ATOM 19 CB ALA 10 18.728 -15.065 0.942 0.036
-ATOM 20 CA ALA 11 19.987 -18.722 0.332 0.012
-ATOM 21 CB ALA 11 19.554 -18.885 -0.291 0.047
-ATOM 22 CA ALA 12 23.577 -19.566 1.153 0.031
-ATOM 23 CB ALA 12 23.300 -19.547 1.766 0.010
-ATOM 24 CA ALA 13 26.528 -21.404 -0.293 0.005
-ATOM 25 CB ALA 13 27.065 -20.921 -0.468 0.073
-ATOM 26 CA CYS 14 26.716 -25.245 0.239 0.024
-ATOM 27 CB CYS 14 26.140 -26.253 -0.166 0.031
-ATOM 28 CA ALA 15 29.990 -27.271 -0.027 0.027
-ATOM 29 CB ALA 15 30.651 -27.001 0.085 0.039
-ATOM 30 CA ALA 16 31.043 -30.963 -0.324 0.023
-ATOM 31 CB ALA 16 30.837 -31.499 -0.768 0.123
-ATOM 32 CA ALA 17 34.256 -32.810 0.521 0.007
-ATOM 33 CB ALA 17 34.235 -33.010 1.146 0.104
-ATOM 34 CA GLY 18 35.691 -35.206 -1.964 0.000
+ATOM 1 CA GLY 1 12.180 -11.705 -7.058 0.009
+ATOM 2 CA ALA 2 13.409 -10.060 -3.788 0.024
+ATOM 3 CB ALA 2 13.296 -10.340 -3.082 0.007
+ATOM 4 CA ALA 3 16.940 -8.725 -3.200 0.010
+ATOM 5 CB ALA 3 17.092 -7.960 -3.271 0.015
+ATOM 6 CA ALA 4 16.789 -9.729 0.506 0.026
+ATOM 7 CB ALA 4 16.291 -9.291 0.692 0.042
+ATOM 8 CA CYS 5 16.248 -12.964 2.431 0.006
+ATOM 9 CB CYS 5 16.941 -13.639 1.738 0.004
+ATOM 10 CA ALA 6 12.432 -12.801 2.095 0.116
+ATOM 11 CB ALA 6 12.246 -12.326 1.440 0.097
+ATOM 12 CA ALA 7 10.271 -15.889 2.238 0.003
+ATOM 13 CB ALA 7 10.178 -16.060 1.441 0.040
+ATOM 14 CA ALA 8 9.639 -19.122 4.093 0.015
+ATOM 15 CB ALA 8 9.152 -19.191 4.650 0.067
+ATOM 16 CA ALA 9 8.046 -21.301 1.414 0.044
+ATOM 17 CB ALA 9 7.502 -21.142 1.045 0.012
+ATOM 18 CA ALA 10 10.746 -20.449 -1.061 0.060
+ATOM 19 CB ALA 10 10.569 -19.737 -1.275 0.034
+ATOM 20 CA ALA 11 13.965 -22.576 -1.209 0.046
+ATOM 21 CB ALA 11 13.475 -22.868 -1.841 0.063
+ATOM 22 CA ALA 12 17.234 -20.966 -2.378 0.078
+ATOM 23 CB ALA 12 17.093 -20.350 -2.713 0.081
+ATOM 24 CA ALA 13 19.694 -19.480 0.229 0.064
+ATOM 25 CB ALA 13 20.134 -19.947 0.616 0.100
+ATOM 26 CA CYS 14 21.080 -16.011 0.482 0.003
+ATOM 27 CB CYS 14 20.029 -15.263 0.543 0.013
+ATOM 28 CA ALA 15 24.696 -14.807 0.390 0.017
+ATOM 29 CB ALA 15 25.245 -14.628 -0.104 0.065
+ATOM 30 CA ALA 16 26.224 -11.681 1.958 0.001
+ATOM 31 CB ALA 16 26.864 -11.781 2.260 0.042
+ATOM 32 CA ALA 17 28.600 -10.172 -0.482 0.030
+ATOM 33 CB ALA 17 28.329 -9.696 -0.924 0.096
+ATOM 34 CA GLY 18 32.322 -10.312 -0.544 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3427.48 ENERGY -1.21284E+01
+REMARK time 3651.24 ENERGY 1.07538E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.077 5.642 -2.387 0.066
-ATOM 2 CA ALA 2 0.768 3.093 -2.855 0.046
-ATOM 3 CB ALA 2 1.506 2.911 -2.861 0.047
-ATOM 4 CA ALA 3 1.029 0.312 -0.292 0.013
-ATOM 5 CB ALA 3 0.333 0.143 -0.623 0.005
-ATOM 6 CA ALA 4 4.225 -1.506 0.610 0.004
-ATOM 7 CB ALA 4 4.457 -1.353 1.276 0.091
-ATOM 8 CA CYS 5 5.567 -4.850 -0.675 0.007
-ATOM 9 CB CYS 5 5.903 -4.708 -1.922 0.040
-ATOM 10 CA ALA 6 7.854 -7.249 1.170 0.010
-ATOM 11 CB ALA 6 7.720 -7.806 1.631 0.186
-ATOM 12 CA ALA 7 11.331 -8.648 0.427 0.012
-ATOM 13 CB ALA 7 11.497 -8.006 0.767 0.034
-ATOM 14 CA ALA 8 12.870 -12.083 -0.177 0.023
-ATOM 15 CB ALA 8 12.569 -12.205 -0.856 0.054
-ATOM 16 CA ALA 9 16.081 -13.619 1.190 0.044
-ATOM 17 CB ALA 9 16.226 -14.191 1.701 0.057
-ATOM 18 CA ALA 10 18.459 -16.039 -0.431 0.008
-ATOM 19 CB ALA 10 18.811 -15.622 -0.919 0.052
-ATOM 20 CA ALA 11 19.994 -19.044 1.545 0.053
-ATOM 21 CB ALA 11 19.479 -19.554 1.548 0.028
-ATOM 22 CA ALA 12 23.646 -20.134 1.915 0.047
-ATOM 23 CB ALA 12 24.031 -20.642 2.316 0.051
-ATOM 24 CA ALA 13 25.450 -22.745 -0.094 0.054
-ATOM 25 CB ALA 13 25.805 -22.269 -0.650 0.173
-ATOM 26 CA CYS 14 27.588 -25.801 0.402 0.046
-ATOM 27 CB CYS 14 27.626 -26.174 1.618 0.110
-ATOM 28 CA ALA 15 30.733 -27.580 -0.826 0.053
-ATOM 29 CB ALA 15 31.434 -27.444 -0.592 0.165
-ATOM 30 CA ALA 16 31.643 -31.187 0.210 0.002
-ATOM 31 CB ALA 16 30.972 -31.373 0.040 0.030
-ATOM 32 CA ALA 17 34.976 -32.941 -0.464 0.004
-ATOM 33 CB ALA 17 35.435 -32.739 0.109 0.109
-ATOM 34 CA GLY 18 34.685 -36.575 -1.542 0.000
+ATOM 1 CA GLY 1 15.023 -10.805 -9.862 0.037
+ATOM 2 CA ALA 2 14.112 -9.459 -6.351 0.037
+ATOM 3 CB ALA 2 13.436 -9.326 -6.244 0.045
+ATOM 4 CA ALA 3 16.477 -9.569 -3.377 0.021
+ATOM 5 CB ALA 3 17.174 -9.372 -3.484 0.024
+ATOM 6 CA ALA 4 15.606 -9.141 0.308 0.007
+ATOM 7 CB ALA 4 15.436 -8.475 0.597 0.074
+ATOM 8 CA CYS 5 14.610 -12.267 2.027 0.011
+ATOM 9 CB CYS 5 15.461 -13.211 1.806 0.008
+ATOM 10 CA ALA 6 14.874 -12.872 5.718 0.019
+ATOM 11 CB ALA 6 14.627 -12.426 6.269 0.055
+ATOM 12 CA ALA 7 12.424 -15.807 5.479 0.009
+ATOM 13 CB ALA 7 11.910 -15.649 5.984 0.048
+ATOM 14 CA ALA 8 12.359 -17.920 2.288 0.003
+ATOM 15 CB ALA 8 12.889 -18.352 2.119 0.047
+ATOM 16 CA ALA 9 9.693 -20.223 0.952 0.047
+ATOM 17 CB ALA 9 9.188 -19.763 0.634 0.040
+ATOM 18 CA ALA 10 11.541 -21.754 -2.059 0.047
+ATOM 19 CB ALA 10 12.178 -21.352 -1.919 0.027
+ATOM 20 CA ALA 11 14.464 -24.090 -1.763 0.093
+ATOM 21 CB ALA 11 14.159 -24.698 -2.113 0.064
+ATOM 22 CA ALA 12 16.895 -21.177 -2.152 0.057
+ATOM 23 CB ALA 12 16.700 -20.631 -2.510 0.034
+ATOM 24 CA ALA 13 17.416 -19.074 0.937 0.010
+ATOM 25 CB ALA 13 17.680 -19.540 1.514 0.015
+ATOM 26 CA CYS 14 19.112 -15.769 0.291 0.015
+ATOM 27 CB CYS 14 18.360 -14.704 0.347 0.056
+ATOM 28 CA ALA 15 22.869 -14.938 -0.035 0.033
+ATOM 29 CB ALA 15 22.809 -15.471 -0.664 0.043
+ATOM 30 CA ALA 16 24.808 -11.795 0.881 0.045
+ATOM 31 CB ALA 16 25.089 -11.481 1.482 0.098
+ATOM 32 CA ALA 17 28.642 -11.910 0.352 0.036
+ATOM 33 CB ALA 17 28.785 -11.925 -0.385 0.163
+ATOM 34 CA GLY 18 31.218 -9.122 0.891 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3455.25 ENERGY -4.09071E+00
+REMARK time 3675.48 ENERGY -5.37390E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.739 4.460 1.773 0.018
-ATOM 2 CA ALA 2 0.499 3.291 -1.045 0.007
-ATOM 3 CB ALA 2 1.173 3.670 -1.100 0.161
-ATOM 4 CA ALA 3 0.983 -0.364 -1.933 0.009
-ATOM 5 CB ALA 3 0.882 -0.706 -2.532 0.051
-ATOM 6 CA ALA 4 4.270 -1.725 -0.773 0.007
-ATOM 7 CB ALA 4 3.960 -1.364 -0.099 0.047
-ATOM 8 CA CYS 5 6.434 -4.692 -1.581 0.016
-ATOM 9 CB CYS 5 6.648 -4.782 -2.713 0.012
-ATOM 10 CA ALA 6 8.813 -6.741 0.601 0.012
-ATOM 11 CB ALA 6 8.717 -6.839 1.367 0.091
-ATOM 12 CA ALA 7 11.348 -9.341 -0.510 0.000
-ATOM 13 CB ALA 7 11.686 -8.813 -0.946 0.048
-ATOM 14 CA ALA 8 12.940 -12.642 0.358 0.006
-ATOM 15 CB ALA 8 13.058 -13.394 0.161 0.013
-ATOM 16 CA ALA 9 16.169 -13.832 2.000 0.016
-ATOM 17 CB ALA 9 16.418 -13.783 2.650 0.022
-ATOM 18 CA ALA 10 18.284 -16.259 0.125 0.016
-ATOM 19 CB ALA 10 18.350 -15.685 -0.276 0.068
-ATOM 20 CA ALA 11 21.194 -17.485 2.189 0.036
-ATOM 21 CB ALA 11 21.119 -18.012 2.748 0.013
-ATOM 22 CA ALA 12 23.259 -20.107 0.448 0.017
-ATOM 23 CB ALA 12 23.770 -20.041 0.014 0.034
-ATOM 24 CA ALA 13 24.000 -23.863 0.348 0.026
-ATOM 25 CB ALA 13 23.736 -24.528 0.131 0.038
-ATOM 26 CA CYS 14 27.577 -25.198 0.436 0.108
-ATOM 27 CB CYS 14 27.706 -25.773 1.566 0.077
-ATOM 28 CA ALA 15 28.988 -28.393 -1.132 0.024
-ATOM 29 CB ALA 15 29.196 -28.630 -1.783 0.170
-ATOM 30 CA ALA 16 31.046 -31.279 0.034 0.007
-ATOM 31 CB ALA 16 31.082 -32.008 0.108 0.067
-ATOM 32 CA ALA 17 34.785 -31.488 0.070 0.025
-ATOM 33 CB ALA 17 35.108 -31.278 0.615 0.129
-ATOM 34 CA GLY 18 36.538 -34.825 -0.406 0.000
+ATOM 1 CA GLY 1 15.935 -6.210 -9.881 0.005
+ATOM 2 CA ALA 2 14.822 -7.462 -6.570 0.018
+ATOM 3 CB ALA 2 14.166 -7.768 -6.538 0.027
+ATOM 4 CA ALA 3 17.170 -8.949 -3.968 0.027
+ATOM 5 CB ALA 3 17.692 -8.472 -4.088 0.016
+ATOM 6 CA ALA 4 15.651 -9.988 -0.695 0.035
+ATOM 7 CB ALA 4 15.152 -9.523 -0.553 0.018
+ATOM 8 CA CYS 5 15.754 -13.585 0.636 0.026
+ATOM 9 CB CYS 5 16.843 -14.120 0.420 0.017
+ATOM 10 CA ALA 6 15.817 -14.190 4.416 0.031
+ATOM 11 CB ALA 6 16.305 -13.632 4.443 0.061
+ATOM 12 CA ALA 7 12.132 -15.242 4.337 0.031
+ATOM 13 CB ALA 7 12.098 -14.690 3.860 0.061
+ATOM 14 CA ALA 8 11.191 -18.957 4.581 0.017
+ATOM 15 CB ALA 8 11.365 -19.373 5.200 0.105
+ATOM 16 CA ALA 9 8.213 -20.332 2.757 0.084
+ATOM 17 CB ALA 9 7.526 -19.990 2.852 0.050
+ATOM 18 CA ALA 10 10.282 -20.905 -0.415 0.034
+ATOM 19 CB ALA 10 10.865 -20.552 -0.820 0.076
+ATOM 20 CA ALA 11 13.024 -23.528 -0.103 0.035
+ATOM 21 CB ALA 11 12.879 -24.232 -0.427 0.030
+ATOM 22 CA ALA 12 16.463 -22.340 -1.230 0.036
+ATOM 23 CB ALA 12 16.470 -22.320 -1.929 0.007
+ATOM 24 CA ALA 13 19.821 -20.768 -0.197 0.050
+ATOM 25 CB ALA 13 20.278 -21.170 -0.616 0.064
+ATOM 26 CA CYS 14 20.291 -17.076 -0.979 0.029
+ATOM 27 CB CYS 14 19.428 -16.470 -0.285 0.035
+ATOM 28 CA ALA 15 23.456 -15.015 -0.688 0.005
+ATOM 29 CB ALA 15 23.618 -15.203 -1.325 0.092
+ATOM 30 CA ALA 16 24.034 -11.472 0.601 0.099
+ATOM 31 CB ALA 16 23.504 -11.707 0.896 0.184
+ATOM 32 CA ALA 17 27.137 -9.291 1.009 0.071
+ATOM 33 CB ALA 17 27.157 -8.562 0.713 0.025
+ATOM 34 CA GLY 18 29.373 -8.656 3.962 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3482.16 ENERGY 4.73504E+00
+REMARK time 3696.59 ENERGY 2.32484E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.100 3.427 0.579 0.007
-ATOM 2 CA ALA 2 0.609 2.581 -0.018 0.008
-ATOM 3 CB ALA 2 1.231 2.888 0.208 0.025
-ATOM 4 CA ALA 3 2.016 -0.964 0.008 0.024
-ATOM 5 CB ALA 3 1.474 -1.545 -0.020 0.032
-ATOM 6 CA ALA 4 5.631 -1.347 -1.340 0.009
-ATOM 7 CB ALA 4 5.997 -0.955 -0.832 0.015
-ATOM 8 CA CYS 5 7.445 -4.461 -2.413 0.008
-ATOM 9 CB CYS 5 6.767 -5.014 -3.355 0.009
-ATOM 10 CA ALA 6 9.282 -6.339 0.293 0.005
-ATOM 11 CB ALA 6 8.910 -6.288 0.960 0.028
-ATOM 12 CA ALA 7 10.617 -9.732 -0.710 0.005
-ATOM 13 CB ALA 7 11.081 -9.232 -1.067 0.014
-ATOM 14 CA ALA 8 12.871 -12.253 1.028 0.012
-ATOM 15 CB ALA 8 12.315 -12.742 1.182 0.125
-ATOM 16 CA ALA 9 16.490 -13.165 1.062 0.022
-ATOM 17 CB ALA 9 16.825 -13.104 1.631 0.143
-ATOM 18 CA ALA 10 17.941 -16.494 -0.167 0.034
-ATOM 19 CB ALA 10 18.074 -16.661 -0.760 0.106
-ATOM 20 CA ALA 11 20.355 -18.980 1.292 0.045
-ATOM 21 CB ALA 11 20.146 -19.445 1.701 0.061
-ATOM 22 CA ALA 12 23.948 -19.769 0.377 0.071
-ATOM 23 CB ALA 12 24.648 -19.892 0.698 0.009
-ATOM 24 CA ALA 13 25.172 -22.999 -1.328 0.018
-ATOM 25 CB ALA 13 25.812 -23.380 -1.579 0.197
-ATOM 26 CA CYS 14 26.380 -25.773 0.992 0.047
-ATOM 27 CB CYS 14 25.227 -25.931 1.268 0.036
-ATOM 28 CA ALA 15 27.844 -29.340 0.628 0.040
-ATOM 29 CB ALA 15 27.760 -29.640 -0.134 0.011
-ATOM 30 CA ALA 16 31.396 -30.237 1.450 0.015
-ATOM 31 CB ALA 16 31.311 -30.911 1.812 0.105
-ATOM 32 CA ALA 17 34.599 -30.842 -0.470 0.004
-ATOM 33 CB ALA 17 35.114 -30.394 -0.730 0.071
-ATOM 34 CA GLY 18 37.459 -33.233 -0.507 0.000
+ATOM 1 CA GLY 1 14.407 -5.396 -8.673 0.002
+ATOM 2 CA ALA 2 14.998 -6.924 -5.294 0.020
+ATOM 3 CB ALA 2 14.421 -7.197 -4.931 0.078
+ATOM 4 CA ALA 3 18.056 -8.495 -3.721 0.006
+ATOM 5 CB ALA 3 18.688 -8.218 -3.549 0.019
+ATOM 6 CA ALA 4 17.036 -10.033 -0.305 0.030
+ATOM 7 CB ALA 4 16.403 -9.987 -0.865 0.055
+ATOM 8 CA CYS 5 16.080 -13.756 -0.868 0.050
+ATOM 9 CB CYS 5 17.305 -14.082 -0.791 0.021
+ATOM 10 CA ALA 6 15.474 -15.305 2.538 0.013
+ATOM 11 CB ALA 6 16.097 -15.250 2.663 0.041
+ATOM 12 CA ALA 7 11.863 -14.115 2.566 0.029
+ATOM 13 CB ALA 7 11.835 -14.527 1.883 0.007
+ATOM 14 CA ALA 8 9.700 -16.475 4.582 0.054
+ATOM 15 CB ALA 8 9.254 -16.136 5.010 0.050
+ATOM 16 CA ALA 9 8.850 -20.065 3.937 0.023
+ATOM 17 CB ALA 9 8.293 -20.226 3.502 0.017
+ATOM 18 CA ALA 10 11.635 -20.373 1.365 0.025
+ATOM 19 CB ALA 10 12.073 -19.803 1.242 0.075
+ATOM 20 CA ALA 11 14.023 -23.340 1.377 0.046
+ATOM 21 CB ALA 11 14.362 -24.012 1.255 0.073
+ATOM 22 CA ALA 12 16.511 -22.836 -1.594 0.047
+ATOM 23 CB ALA 12 16.191 -22.535 -2.136 0.032
+ATOM 24 CA ALA 13 19.802 -20.981 -1.032 0.066
+ATOM 25 CB ALA 13 20.279 -21.675 -0.984 0.102
+ATOM 26 CA CYS 14 21.014 -17.370 -1.318 0.043
+ATOM 27 CB CYS 14 20.344 -16.541 -0.748 0.009
+ATOM 28 CA ALA 15 24.513 -15.762 -1.283 0.055
+ATOM 29 CB ALA 15 24.558 -15.370 -1.995 0.011
+ATOM 30 CA ALA 16 25.089 -13.654 1.876 0.102
+ATOM 31 CB ALA 16 25.645 -13.308 2.355 0.016
+ATOM 32 CA ALA 17 22.967 -10.518 1.550 0.018
+ATOM 33 CB ALA 17 22.320 -10.392 1.989 0.273
+ATOM 34 CA GLY 18 24.700 -7.189 1.492 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3506.12 ENERGY -3.42208E+00
+REMARK time 3725.71 ENERGY 4.14011E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.853 5.696 0.206 0.022
-ATOM 2 CA ALA 2 -0.666 1.976 -0.542 0.029
-ATOM 3 CB ALA 2 -0.633 1.460 -1.197 0.001
-ATOM 4 CA ALA 3 1.876 -0.505 1.003 0.016
-ATOM 5 CB ALA 3 1.774 -1.084 1.387 0.027
-ATOM 6 CA ALA 4 5.224 -1.329 -0.423 0.029
-ATOM 7 CB ALA 4 5.643 -0.758 -0.329 0.039
-ATOM 8 CA CYS 5 6.885 -4.550 -1.721 0.015
-ATOM 9 CB CYS 5 6.307 -5.015 -2.796 0.083
-ATOM 10 CA ALA 6 9.370 -6.292 0.643 0.042
-ATOM 11 CB ALA 6 9.242 -6.700 1.322 0.067
-ATOM 12 CA ALA 7 12.197 -8.554 -0.486 0.018
-ATOM 13 CB ALA 7 12.808 -8.159 -0.327 0.184
-ATOM 14 CA ALA 8 12.464 -12.298 -0.426 0.009
-ATOM 15 CB ALA 8 12.055 -12.677 -0.900 0.060
-ATOM 16 CA ALA 9 15.809 -13.877 0.404 0.014
-ATOM 17 CB ALA 9 15.849 -13.868 1.180 0.093
-ATOM 18 CA ALA 10 18.681 -15.739 -1.399 0.019
-ATOM 19 CB ALA 10 19.243 -15.658 -1.780 0.032
-ATOM 20 CA ALA 11 19.704 -19.350 -0.446 0.041
-ATOM 21 CB ALA 11 19.382 -19.908 -0.769 0.017
-ATOM 22 CA ALA 12 23.342 -20.335 0.333 0.004
-ATOM 23 CB ALA 12 22.982 -20.733 0.932 0.043
-ATOM 24 CA ALA 13 25.498 -23.370 -0.433 0.026
-ATOM 25 CB ALA 13 25.999 -23.249 -0.953 0.038
-ATOM 26 CA CYS 14 26.632 -26.016 2.106 0.053
-ATOM 27 CB CYS 14 25.572 -26.699 2.366 0.055
-ATOM 28 CA ALA 15 28.288 -29.265 1.135 0.022
-ATOM 29 CB ALA 15 27.958 -29.433 0.585 0.035
-ATOM 30 CA ALA 16 31.607 -30.976 1.505 0.013
-ATOM 31 CB ALA 16 31.923 -31.449 2.038 0.125
-ATOM 32 CA ALA 17 34.655 -30.518 -0.705 0.010
-ATOM 33 CB ALA 17 34.929 -29.887 -0.642 0.065
-ATOM 34 CA GLY 18 37.874 -32.524 -0.736 0.000
+ATOM 1 CA GLY 1 13.805 -4.133 -9.058 0.005
+ATOM 2 CA ALA 2 14.154 -6.214 -5.889 0.009
+ATOM 3 CB ALA 2 13.619 -6.133 -5.464 0.027
+ATOM 4 CA ALA 3 16.702 -8.878 -4.849 0.043
+ATOM 5 CB ALA 3 17.372 -8.458 -4.919 0.104
+ATOM 6 CA ALA 4 16.625 -9.846 -1.117 0.003
+ATOM 7 CB ALA 4 16.404 -9.180 -1.178 0.084
+ATOM 8 CA CYS 5 16.031 -13.476 -0.204 0.029
+ATOM 9 CB CYS 5 17.113 -14.045 -0.553 0.029
+ATOM 10 CA ALA 6 16.645 -14.002 3.510 0.010
+ATOM 11 CB ALA 6 17.010 -13.462 3.803 0.129
+ATOM 12 CA ALA 7 12.879 -14.550 4.126 0.039
+ATOM 13 CB ALA 7 12.393 -14.038 3.908 0.015
+ATOM 14 CA ALA 8 11.356 -18.046 4.005 0.017
+ATOM 15 CB ALA 8 11.065 -18.110 4.709 0.023
+ATOM 16 CA ALA 9 8.916 -18.977 1.252 0.001
+ATOM 17 CB ALA 9 8.658 -18.959 0.594 0.038
+ATOM 18 CA ALA 10 11.430 -21.203 -0.479 0.020
+ATOM 19 CB ALA 10 11.770 -20.591 -0.887 0.041
+ATOM 20 CA ALA 11 13.723 -23.182 1.729 0.001
+ATOM 21 CB ALA 11 13.873 -23.846 2.087 0.211
+ATOM 22 CA ALA 12 17.045 -23.614 -0.081 0.014
+ATOM 23 CB ALA 12 17.373 -23.720 -0.726 0.083
+ATOM 24 CA ALA 13 19.661 -20.996 0.436 0.038
+ATOM 25 CB ALA 13 20.278 -21.441 0.491 0.170
+ATOM 26 CA CYS 14 19.994 -17.463 -1.132 0.026
+ATOM 27 CB CYS 14 19.377 -16.585 -0.776 0.011
+ATOM 28 CA ALA 15 23.398 -15.870 -1.590 0.017
+ATOM 29 CB ALA 15 23.511 -15.434 -2.268 0.019
+ATOM 30 CA ALA 16 24.623 -13.886 1.436 0.031
+ATOM 31 CB ALA 16 25.312 -14.301 1.271 0.009
+ATOM 32 CA ALA 17 24.273 -10.116 1.887 0.079
+ATOM 33 CB ALA 17 23.602 -10.295 1.648 0.133
+ATOM 34 CA GLY 18 25.982 -8.581 5.014 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3532.23 ENERGY -5.33906E+00
+REMARK time 3753.73 ENERGY -1.15236E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.515 4.672 0.667 0.011
-ATOM 2 CA ALA 2 -0.215 2.658 -1.604 0.029
-ATOM 3 CB ALA 2 0.340 2.984 -1.934 0.015
-ATOM 4 CA ALA 3 1.979 0.093 0.132 0.034
-ATOM 5 CB ALA 3 1.853 -0.625 0.329 0.117
-ATOM 6 CA ALA 4 5.341 -1.699 0.621 0.014
-ATOM 7 CB ALA 4 5.792 -1.249 0.975 0.043
-ATOM 8 CA CYS 5 6.453 -5.376 0.332 0.012
-ATOM 9 CB CYS 5 6.183 -6.070 -0.657 0.005
-ATOM 10 CA ALA 6 9.969 -6.700 0.939 0.022
-ATOM 11 CB ALA 6 9.675 -6.877 1.696 0.032
-ATOM 12 CA ALA 7 12.788 -8.008 -1.266 0.006
-ATOM 13 CB ALA 7 13.368 -7.611 -1.311 0.027
-ATOM 14 CA ALA 8 13.521 -11.641 -1.836 0.047
-ATOM 15 CB ALA 8 13.271 -12.008 -2.439 0.204
-ATOM 16 CA ALA 9 16.390 -13.760 -0.327 0.017
-ATOM 17 CB ALA 9 16.356 -13.926 0.311 0.013
-ATOM 18 CA ALA 10 18.987 -16.104 -1.874 0.044
-ATOM 19 CB ALA 10 19.595 -15.928 -1.705 0.085
-ATOM 20 CA ALA 11 19.682 -19.767 -1.280 0.092
-ATOM 21 CB ALA 11 19.754 -20.395 -1.737 0.061
-ATOM 22 CA ALA 12 21.640 -21.429 1.426 0.018
-ATOM 23 CB ALA 12 21.702 -21.794 2.118 0.178
-ATOM 24 CA ALA 13 23.566 -24.290 -0.108 0.003
-ATOM 25 CB ALA 13 23.830 -23.940 -0.725 0.092
-ATOM 26 CA CYS 14 25.950 -26.120 2.176 0.005
-ATOM 27 CB CYS 14 25.132 -26.884 2.749 0.006
-ATOM 28 CA ALA 15 28.592 -28.382 0.618 0.013
-ATOM 29 CB ALA 15 28.449 -28.553 -0.050 0.130
-ATOM 30 CA ALA 16 32.413 -28.609 0.799 0.010
-ATOM 31 CB ALA 16 32.599 -28.695 1.492 0.050
-ATOM 32 CA ALA 17 34.912 -31.168 -0.470 0.001
-ATOM 33 CB ALA 17 34.665 -31.465 -1.048 0.148
-ATOM 34 CA GLY 18 38.328 -31.871 0.973 0.000
+ATOM 1 CA GLY 1 14.630 -4.178 -8.019 0.023
+ATOM 2 CA ALA 2 14.622 -7.961 -7.762 0.058
+ATOM 3 CB ALA 2 15.231 -8.464 -7.802 0.087
+ATOM 4 CA ALA 3 13.094 -9.990 -5.011 0.011
+ATOM 5 CB ALA 3 12.573 -10.550 -5.063 0.012
+ATOM 6 CA ALA 4 14.559 -10.673 -1.546 0.025
+ATOM 7 CB ALA 4 14.158 -10.247 -0.967 0.070
+ATOM 8 CA CYS 5 15.845 -13.682 0.425 0.023
+ATOM 9 CB CYS 5 16.973 -14.085 0.498 0.029
+ATOM 10 CA ALA 6 14.608 -12.418 3.839 0.006
+ATOM 11 CB ALA 6 14.188 -11.900 4.205 0.101
+ATOM 12 CA ALA 7 11.399 -14.382 3.768 0.096
+ATOM 13 CB ALA 7 11.004 -13.953 3.341 0.005
+ATOM 14 CA ALA 8 11.910 -18.087 3.949 0.039
+ATOM 15 CB ALA 8 12.062 -18.513 4.500 0.012
+ATOM 16 CA ALA 9 8.979 -19.903 2.312 0.023
+ATOM 17 CB ALA 9 8.490 -19.352 2.099 0.117
+ATOM 18 CA ALA 10 11.117 -21.236 -0.505 0.035
+ATOM 19 CB ALA 10 11.083 -20.690 -1.003 0.156
+ATOM 20 CA ALA 11 14.034 -23.668 -0.941 0.106
+ATOM 21 CB ALA 11 13.530 -24.210 -1.050 0.073
+ATOM 22 CA ALA 12 16.968 -21.754 -2.459 0.113
+ATOM 23 CB ALA 12 16.437 -21.323 -2.939 0.029
+ATOM 24 CA ALA 13 20.096 -20.324 -0.812 0.023
+ATOM 25 CB ALA 13 20.676 -20.748 -1.141 0.087
+ATOM 26 CA CYS 14 20.526 -16.983 0.934 0.029
+ATOM 27 CB CYS 14 19.539 -16.364 1.463 0.027
+ATOM 28 CA ALA 15 23.752 -15.016 1.307 0.021
+ATOM 29 CB ALA 15 24.166 -14.810 0.772 0.049
+ATOM 30 CA ALA 16 25.105 -11.703 2.689 0.015
+ATOM 31 CB ALA 16 25.165 -12.180 3.265 0.045
+ATOM 32 CA ALA 17 28.515 -10.630 1.499 0.006
+ATOM 33 CB ALA 17 28.633 -9.958 1.230 0.040
+ATOM 34 CA GLY 18 31.755 -11.993 3.005 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3562.15 ENERGY -1.49542E+00
+REMARK time 3783.73 ENERGY 1.47725E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.385 5.267 0.500 0.023
-ATOM 2 CA ALA 2 0.825 3.336 -0.241 0.047
-ATOM 3 CB ALA 2 1.376 3.798 -0.039 0.189
-ATOM 4 CA ALA 3 1.555 -0.457 -0.218 0.026
-ATOM 5 CB ALA 3 1.284 -0.832 -0.773 0.095
-ATOM 6 CA ALA 4 4.881 -2.314 0.566 0.014
-ATOM 7 CB ALA 4 4.474 -2.460 1.226 0.012
-ATOM 8 CA CYS 5 7.002 -5.081 -0.759 0.009
-ATOM 9 CB CYS 5 7.417 -4.641 -1.834 0.016
-ATOM 10 CA ALA 6 8.993 -7.376 1.571 0.027
-ATOM 11 CB ALA 6 8.720 -8.040 1.882 0.024
-ATOM 12 CA ALA 7 11.839 -8.286 -0.864 0.040
-ATOM 13 CB ALA 7 12.482 -7.986 -1.190 0.115
-ATOM 14 CA ALA 8 13.364 -11.816 -0.765 0.027
-ATOM 15 CB ALA 8 12.735 -12.233 -0.670 0.060
-ATOM 16 CA ALA 9 16.409 -13.551 -2.257 0.021
-ATOM 17 CB ALA 9 17.156 -13.554 -1.973 0.061
-ATOM 18 CA ALA 10 17.514 -17.139 -1.919 0.008
-ATOM 19 CB ALA 10 17.725 -17.442 -2.558 0.071
-ATOM 20 CA ALA 11 19.755 -18.724 0.724 0.048
-ATOM 21 CB ALA 11 18.986 -18.975 0.917 0.008
-ATOM 22 CA ALA 12 22.742 -20.959 0.558 0.031
-ATOM 23 CB ALA 12 23.461 -20.719 0.805 0.046
-ATOM 24 CA ALA 13 23.568 -24.663 0.612 0.017
-ATOM 25 CB ALA 13 23.148 -25.247 0.351 0.016
-ATOM 26 CA CYS 14 27.096 -26.082 0.545 0.012
-ATOM 27 CB CYS 14 27.720 -25.611 1.420 0.074
-ATOM 28 CA ALA 15 28.852 -29.023 -1.088 0.028
-ATOM 29 CB ALA 15 29.097 -28.947 -1.782 0.044
-ATOM 30 CA ALA 16 31.112 -30.659 1.529 0.058
-ATOM 31 CB ALA 16 30.539 -31.030 1.501 0.081
-ATOM 32 CA ALA 17 34.782 -29.668 1.860 0.013
-ATOM 33 CB ALA 17 35.435 -29.426 1.946 0.063
-ATOM 34 CA GLY 18 37.532 -31.969 0.497 0.000
+ATOM 1 CA GLY 1 13.214 -10.062 -10.559 0.015
+ATOM 2 CA ALA 2 14.820 -10.832 -7.290 0.020
+ATOM 3 CB ALA 2 15.583 -10.899 -7.263 0.058
+ATOM 4 CA ALA 3 13.182 -10.569 -3.892 0.029
+ATOM 5 CB ALA 3 12.794 -10.905 -3.433 0.003
+ATOM 6 CA ALA 4 14.738 -10.587 -0.437 0.030
+ATOM 7 CB ALA 4 14.181 -10.286 0.044 0.053
+ATOM 8 CA CYS 5 15.175 -13.934 1.324 0.012
+ATOM 9 CB CYS 5 16.320 -14.382 1.237 0.037
+ATOM 10 CA ALA 6 13.908 -12.882 4.721 0.006
+ATOM 11 CB ALA 6 13.626 -12.228 4.898 0.149
+ATOM 12 CA ALA 7 10.858 -15.126 4.273 0.025
+ATOM 13 CB ALA 7 10.103 -15.168 4.147 0.017
+ATOM 14 CA ALA 8 10.970 -18.936 3.843 0.041
+ATOM 15 CB ALA 8 11.116 -19.262 4.395 0.137
+ATOM 16 CA ALA 9 8.386 -20.275 1.470 0.025
+ATOM 17 CB ALA 9 7.712 -20.192 1.102 0.090
+ATOM 18 CA ALA 10 10.450 -19.518 -1.583 0.043
+ATOM 19 CB ALA 10 10.642 -18.978 -1.993 0.106
+ATOM 20 CA ALA 11 13.801 -21.030 -2.607 0.010
+ATOM 21 CB ALA 11 14.214 -20.988 -3.236 0.022
+ATOM 22 CA ALA 12 16.747 -18.691 -2.637 0.002
+ATOM 23 CB ALA 12 16.826 -17.950 -2.983 0.145
+ATOM 24 CA ALA 13 19.666 -19.185 -0.249 0.003
+ATOM 25 CB ALA 13 20.338 -19.530 -0.426 0.098
+ATOM 26 CA CYS 14 20.926 -16.089 1.617 0.011
+ATOM 27 CB CYS 14 20.022 -15.301 1.420 0.041
+ATOM 28 CA ALA 15 24.624 -15.260 0.884 0.006
+ATOM 29 CB ALA 15 25.276 -15.252 0.673 0.109
+ATOM 30 CA ALA 16 26.612 -12.376 2.338 0.049
+ATOM 31 CB ALA 16 26.292 -12.377 2.913 0.071
+ATOM 32 CA ALA 17 30.183 -12.200 1.173 0.002
+ATOM 33 CB ALA 17 30.417 -11.732 0.679 0.037
+ATOM 34 CA GLY 18 32.193 -9.402 2.804 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3589.79 ENERGY -4.34405E+00
+REMARK time 3808.99 ENERGY -7.28041E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.655 6.452 1.079 0.020
-ATOM 2 CA ALA 2 0.207 3.543 -0.585 0.009
-ATOM 3 CB ALA 2 0.674 4.098 -0.853 0.159
-ATOM 4 CA ALA 3 1.563 0.151 0.345 0.014
-ATOM 5 CB ALA 3 1.064 0.068 -0.187 0.103
-ATOM 6 CA ALA 4 4.911 -1.577 1.009 0.027
-ATOM 7 CB ALA 4 4.822 -1.425 1.649 0.105
-ATOM 8 CA CYS 5 6.028 -4.688 -0.929 0.025
-ATOM 9 CB CYS 5 6.334 -4.331 -2.095 0.082
-ATOM 10 CA ALA 6 8.319 -7.394 0.494 0.013
-ATOM 11 CB ALA 6 7.793 -7.732 0.806 0.086
-ATOM 12 CA ALA 7 10.922 -9.464 -1.277 0.001
-ATOM 13 CB ALA 7 11.584 -9.121 -1.428 0.099
-ATOM 14 CA ALA 8 12.504 -12.856 -0.529 0.062
-ATOM 15 CB ALA 8 12.671 -13.566 -0.893 0.049
-ATOM 16 CA ALA 9 16.172 -13.406 0.284 0.017
-ATOM 17 CB ALA 9 16.609 -12.916 0.630 0.096
-ATOM 18 CA ALA 10 17.368 -16.971 -0.481 0.033
-ATOM 19 CB ALA 10 17.175 -16.857 -1.240 0.020
-ATOM 20 CA ALA 11 20.454 -18.862 0.345 0.014
-ATOM 21 CB ALA 11 20.172 -19.429 0.682 0.067
-ATOM 22 CA ALA 12 23.098 -20.684 -1.552 0.016
-ATOM 23 CB ALA 12 23.754 -20.546 -1.667 0.103
-ATOM 24 CA ALA 13 24.286 -24.336 -1.704 0.019
-ATOM 25 CB ALA 13 23.881 -24.478 -2.424 0.031
-ATOM 26 CA CYS 14 27.743 -25.057 -0.425 0.050
-ATOM 27 CB CYS 14 27.351 -25.381 0.759 0.005
-ATOM 28 CA ALA 15 30.639 -27.561 -0.406 0.051
-ATOM 29 CB ALA 15 30.893 -27.236 -1.046 0.006
-ATOM 30 CA ALA 16 32.411 -29.992 1.948 0.009
-ATOM 31 CB ALA 16 31.961 -30.456 2.361 0.036
-ATOM 32 CA ALA 17 35.363 -32.314 2.402 0.029
-ATOM 33 CB ALA 17 36.078 -32.438 2.616 0.154
-ATOM 34 CA GLY 18 35.176 -36.091 3.063 0.000
+ATOM 1 CA GLY 1 12.764 -10.849 -9.870 0.007
+ATOM 2 CA ALA 2 14.721 -11.976 -6.843 0.016
+ATOM 3 CB ALA 2 15.418 -12.148 -6.861 0.045
+ATOM 4 CA ALA 3 13.584 -12.057 -3.257 0.035
+ATOM 5 CB ALA 3 13.118 -12.605 -3.067 0.040
+ATOM 6 CA ALA 4 15.059 -11.171 0.079 0.050
+ATOM 7 CB ALA 4 14.848 -10.568 0.538 0.075
+ATOM 8 CA CYS 5 16.223 -13.976 2.415 0.040
+ATOM 9 CB CYS 5 17.455 -13.962 2.277 0.063
+ATOM 10 CA ALA 6 14.307 -12.802 5.515 0.022
+ATOM 11 CB ALA 6 14.153 -12.062 5.731 0.052
+ATOM 12 CA ALA 7 11.101 -14.583 4.372 0.016
+ATOM 13 CB ALA 7 10.556 -14.490 3.796 0.009
+ATOM 14 CA ALA 8 9.865 -18.100 3.692 0.072
+ATOM 15 CB ALA 8 9.445 -18.488 4.195 0.003
+ATOM 16 CA ALA 9 8.118 -18.689 0.336 0.025
+ATOM 17 CB ALA 9 7.627 -18.363 -0.134 0.019
+ATOM 18 CA ALA 10 11.359 -18.158 -1.701 0.061
+ATOM 19 CB ALA 10 12.033 -17.793 -1.907 0.111
+ATOM 20 CA ALA 11 13.319 -21.412 -2.592 0.034
+ATOM 21 CB ALA 11 12.882 -21.834 -3.093 0.010
+ATOM 22 CA ALA 12 17.015 -20.708 -2.995 0.043
+ATOM 23 CB ALA 12 17.286 -20.527 -3.687 0.046
+ATOM 24 CA ALA 13 19.435 -19.050 -0.575 0.005
+ATOM 25 CB ALA 13 19.740 -19.445 -0.015 0.010
+ATOM 26 CA CYS 14 20.855 -15.595 -0.732 0.010
+ATOM 27 CB CYS 14 20.398 -14.690 0.033 0.048
+ATOM 28 CA ALA 15 24.558 -15.459 0.053 0.025
+ATOM 29 CB ALA 15 24.720 -15.600 -0.551 0.087
+ATOM 30 CA ALA 16 26.897 -13.534 2.317 0.088
+ATOM 31 CB ALA 16 27.507 -13.481 2.788 0.092
+ATOM 32 CA ALA 17 28.666 -10.237 1.590 0.088
+ATOM 33 CB ALA 17 28.525 -9.390 1.553 0.002
+ATOM 34 CA GLY 18 31.087 -9.481 4.420 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3610.37 ENERGY 1.49176E-01
+REMARK time 3834.57 ENERGY -7.40248E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.198 5.748 0.766 0.034
-ATOM 2 CA ALA 2 1.771 3.250 -1.345 0.006
-ATOM 3 CB ALA 2 2.407 3.511 -1.028 0.034
-ATOM 4 CA ALA 3 2.239 -0.032 0.613 0.010
-ATOM 5 CB ALA 3 1.523 0.001 0.683 0.029
-ATOM 6 CA ALA 4 4.523 -2.435 -1.272 0.048
-ATOM 7 CB ALA 4 5.199 -2.047 -1.090 0.033
-ATOM 8 CA CYS 5 5.523 -5.708 0.397 0.069
-ATOM 9 CB CYS 5 5.054 -6.211 -0.642 0.006
-ATOM 10 CA ALA 6 8.550 -7.485 2.029 0.019
-ATOM 11 CB ALA 6 8.273 -7.595 2.659 0.027
-ATOM 12 CA ALA 7 11.035 -9.279 -0.250 0.036
-ATOM 13 CB ALA 7 11.220 -8.739 -0.653 0.160
-ATOM 14 CA ALA 8 12.761 -12.556 0.682 0.027
-ATOM 15 CB ALA 8 12.332 -12.973 1.043 0.217
-ATOM 16 CA ALA 9 16.020 -14.184 -0.679 0.035
-ATOM 17 CB ALA 9 16.805 -14.131 -0.639 0.072
-ATOM 18 CA ALA 10 17.222 -17.144 -2.806 0.022
-ATOM 19 CB ALA 10 17.266 -16.983 -3.559 0.040
-ATOM 20 CA ALA 11 19.815 -19.604 -1.447 0.048
-ATOM 21 CB ALA 11 19.926 -20.256 -1.352 0.107
-ATOM 22 CA ALA 12 23.505 -19.176 -2.008 0.013
-ATOM 23 CB ALA 12 23.740 -18.610 -1.553 0.052
-ATOM 24 CA ALA 13 25.599 -22.325 -1.394 0.013
-ATOM 25 CB ALA 13 25.342 -22.500 -2.026 0.013
-ATOM 26 CA CYS 14 28.246 -24.005 0.698 0.048
-ATOM 27 CB CYS 14 28.366 -23.581 1.880 0.024
-ATOM 28 CA ALA 15 29.716 -27.503 0.214 0.033
-ATOM 29 CB ALA 15 30.227 -27.547 -0.331 0.057
-ATOM 30 CA ALA 16 31.318 -30.279 2.340 0.020
-ATOM 31 CB ALA 16 30.755 -30.619 2.803 0.098
-ATOM 32 CA ALA 17 33.126 -33.534 1.544 0.002
-ATOM 33 CB ALA 17 33.045 -33.729 0.810 0.009
-ATOM 34 CA GLY 18 36.241 -34.470 3.616 0.000
+ATOM 1 CA GLY 1 14.076 -7.865 -9.817 0.029
+ATOM 2 CA ALA 2 15.038 -10.929 -7.818 0.045
+ATOM 3 CB ALA 2 15.556 -11.439 -8.023 0.023
+ATOM 4 CA ALA 3 14.068 -11.223 -4.139 0.061
+ATOM 5 CB ALA 3 13.430 -11.594 -4.160 0.032
+ATOM 6 CA ALA 4 15.456 -11.643 -0.704 0.033
+ATOM 7 CB ALA 4 15.371 -11.115 -0.190 0.005
+ATOM 8 CA CYS 5 16.454 -14.742 1.277 0.002
+ATOM 9 CB CYS 5 17.225 -15.556 0.811 0.012
+ATOM 10 CA ALA 6 16.077 -13.540 4.842 0.030
+ATOM 11 CB ALA 6 16.242 -12.790 4.878 0.009
+ATOM 12 CA ALA 7 12.262 -13.827 4.707 0.040
+ATOM 13 CB ALA 7 11.823 -13.372 4.412 0.084
+ATOM 14 CA ALA 8 10.133 -16.989 4.630 0.164
+ATOM 15 CB ALA 8 9.639 -17.107 5.137 0.060
+ATOM 16 CA ALA 9 8.549 -18.291 1.429 0.006
+ATOM 17 CB ALA 9 8.027 -17.889 1.209 0.010
+ATOM 18 CA ALA 10 11.851 -18.116 -0.457 0.034
+ATOM 19 CB ALA 10 11.751 -17.518 0.027 0.029
+ATOM 20 CA ALA 11 13.890 -21.302 -0.368 0.017
+ATOM 21 CB ALA 11 13.614 -21.983 -0.420 0.075
+ATOM 22 CA ALA 12 16.258 -21.287 -3.259 0.053
+ATOM 23 CB ALA 12 16.726 -20.902 -3.737 0.029
+ATOM 24 CA ALA 13 19.716 -20.388 -1.901 0.030
+ATOM 25 CB ALA 13 20.376 -20.701 -2.122 0.054
+ATOM 26 CA CYS 14 21.169 -16.909 -1.256 0.018
+ATOM 27 CB CYS 14 20.537 -16.244 -0.408 0.062
+ATOM 28 CA ALA 15 24.810 -15.739 -0.698 0.035
+ATOM 29 CB ALA 15 25.056 -15.620 -1.427 0.185
+ATOM 30 CA ALA 16 25.044 -13.279 2.240 0.023
+ATOM 31 CB ALA 16 25.368 -13.254 2.947 0.220
+ATOM 32 CA ALA 17 25.676 -9.665 3.036 0.080
+ATOM 33 CB ALA 17 25.102 -9.424 3.394 0.071
+ATOM 34 CA GLY 18 28.089 -8.442 5.588 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3632.67 ENERGY 1.45623E+00
+REMARK time 3861.23 ENERGY -2.71539E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 3.058 5.910 -2.427 0.011
-ATOM 2 CA ALA 2 1.375 2.580 -1.449 0.026
-ATOM 3 CB ALA 2 1.034 2.173 -2.009 0.052
-ATOM 4 CA ALA 3 2.820 0.241 1.138 0.044
-ATOM 5 CB ALA 3 2.083 -0.093 1.339 0.190
-ATOM 6 CA ALA 4 5.420 -2.536 0.699 0.096
-ATOM 7 CB ALA 4 5.903 -2.051 0.974 0.085
-ATOM 8 CA CYS 5 5.197 -6.181 1.787 0.002
-ATOM 9 CB CYS 5 4.255 -6.891 1.386 0.002
-ATOM 10 CA ALA 6 8.454 -7.918 1.251 0.027
-ATOM 11 CB ALA 6 8.580 -8.120 1.967 0.084
-ATOM 12 CA ALA 7 10.072 -10.386 -1.079 0.012
-ATOM 13 CB ALA 7 10.315 -10.664 -1.738 0.010
-ATOM 14 CA ALA 8 12.438 -13.357 -0.522 0.016
-ATOM 15 CB ALA 8 12.022 -13.986 -0.851 0.013
-ATOM 16 CA ALA 9 16.286 -12.934 -0.636 0.051
-ATOM 17 CB ALA 9 16.384 -12.476 0.015 0.010
-ATOM 18 CA ALA 10 18.839 -15.081 -2.471 0.078
-ATOM 19 CB ALA 10 18.873 -14.397 -2.920 0.044
-ATOM 20 CA ALA 11 21.167 -17.977 -1.332 0.016
-ATOM 21 CB ALA 11 21.082 -18.532 -0.854 0.016
-ATOM 22 CA ALA 12 23.890 -20.033 -2.913 0.025
-ATOM 23 CB ALA 12 24.499 -19.665 -3.056 0.199
-ATOM 24 CA ALA 13 25.105 -23.556 -2.440 0.026
-ATOM 25 CB ALA 13 25.242 -24.082 -2.835 0.049
-ATOM 26 CA CYS 14 26.536 -24.333 1.053 0.010
-ATOM 27 CB CYS 14 25.965 -25.065 1.883 0.020
-ATOM 28 CA ALA 15 29.194 -26.940 0.360 0.010
-ATOM 29 CB ALA 15 29.829 -26.811 0.067 0.019
-ATOM 30 CA ALA 16 31.187 -29.310 2.664 0.012
-ATOM 31 CB ALA 16 30.953 -29.747 3.203 0.126
-ATOM 32 CA ALA 17 33.830 -31.950 1.785 0.014
-ATOM 33 CB ALA 17 34.449 -32.110 1.326 0.069
-ATOM 34 CA GLY 18 34.768 -35.157 3.633 0.000
+ATOM 1 CA GLY 1 15.205 -6.021 -10.625 0.042
+ATOM 2 CA ALA 2 16.662 -8.380 -7.979 0.015
+ATOM 3 CB ALA 2 17.260 -8.495 -7.548 0.162
+ATOM 4 CA ALA 3 14.223 -9.308 -5.044 0.014
+ATOM 5 CB ALA 3 14.144 -10.013 -5.026 0.020
+ATOM 6 CA ALA 4 15.465 -10.594 -1.672 0.013
+ATOM 7 CB ALA 4 15.230 -10.368 -1.046 0.057
+ATOM 8 CA CYS 5 15.926 -14.136 -0.309 0.051
+ATOM 9 CB CYS 5 17.062 -14.531 -0.584 0.020
+ATOM 10 CA ALA 6 16.470 -12.950 3.313 0.000
+ATOM 11 CB ALA 6 16.428 -12.280 3.510 0.046
+ATOM 12 CA ALA 7 13.218 -14.598 4.353 0.021
+ATOM 13 CB ALA 7 12.886 -14.502 3.735 0.083
+ATOM 14 CA ALA 8 12.972 -18.325 5.255 0.039
+ATOM 15 CB ALA 8 12.939 -18.404 5.973 0.111
+ATOM 16 CA ALA 9 9.602 -18.480 3.615 0.005
+ATOM 17 CB ALA 9 9.174 -17.864 3.509 0.019
+ATOM 18 CA ALA 10 11.273 -19.090 0.123 0.017
+ATOM 19 CB ALA 10 11.725 -18.782 -0.302 0.070
+ATOM 20 CA ALA 11 12.899 -22.563 -0.277 0.016
+ATOM 21 CB ALA 11 12.736 -22.959 -0.936 0.075
+ATOM 22 CA ALA 12 16.274 -22.500 -2.165 0.014
+ATOM 23 CB ALA 12 16.006 -21.983 -2.534 0.030
+ATOM 24 CA ALA 13 19.608 -21.522 -0.513 0.003
+ATOM 25 CB ALA 13 20.055 -21.992 -0.234 0.012
+ATOM 26 CA CYS 14 20.694 -17.929 -0.544 0.003
+ATOM 27 CB CYS 14 19.620 -17.331 -0.476 0.036
+ATOM 28 CA ALA 15 23.480 -15.440 -0.312 0.035
+ATOM 29 CB ALA 15 23.750 -15.283 -0.953 0.061
+ATOM 30 CA ALA 16 23.908 -13.161 2.772 0.046
+ATOM 31 CB ALA 16 24.490 -13.456 3.212 0.189
+ATOM 32 CA ALA 17 24.439 -9.433 2.316 0.062
+ATOM 33 CB ALA 17 23.890 -8.910 2.294 0.126
+ATOM 34 CA GLY 18 25.883 -9.068 5.802 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3657.08 ENERGY 1.57078E+00
+REMARK time 3891.23 ENERGY -1.25832E+01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 1.828 6.297 -2.037 0.057
-ATOM 2 CA ALA 2 1.436 2.715 -0.965 0.004
-ATOM 3 CB ALA 2 1.493 2.438 -1.648 0.055
-ATOM 4 CA ALA 3 3.083 0.217 1.344 0.015
-ATOM 5 CB ALA 3 2.763 -0.196 1.786 0.292
-ATOM 6 CA ALA 4 4.534 -3.044 -0.058 0.007
-ATOM 7 CB ALA 4 5.037 -2.898 -0.525 0.002
-ATOM 8 CA CYS 5 5.409 -6.192 1.808 0.043
-ATOM 9 CB CYS 5 4.386 -6.677 2.342 0.003
-ATOM 10 CA ALA 6 8.843 -7.765 1.421 0.036
-ATOM 11 CB ALA 6 9.132 -7.721 2.172 0.107
-ATOM 12 CA ALA 7 10.368 -10.315 -0.938 0.048
-ATOM 13 CB ALA 7 10.291 -10.091 -1.637 0.021
-ATOM 14 CA ALA 8 13.354 -12.621 -0.569 0.018
-ATOM 15 CB ALA 8 12.931 -13.200 -0.542 0.018
-ATOM 16 CA ALA 9 16.773 -12.886 -2.042 0.048
-ATOM 17 CB ALA 9 17.381 -12.501 -1.968 0.034
-ATOM 18 CA ALA 10 18.029 -16.404 -2.943 0.019
-ATOM 19 CB ALA 10 17.652 -16.406 -3.540 0.009
-ATOM 20 CA ALA 11 20.592 -18.084 -0.626 0.012
-ATOM 21 CB ALA 11 20.126 -18.515 -0.778 0.026
-ATOM 22 CA ALA 12 24.029 -19.726 -0.788 0.041
-ATOM 23 CB ALA 12 24.228 -19.432 -0.095 0.018
-ATOM 24 CA ALA 13 25.078 -23.050 -2.322 0.024
-ATOM 25 CB ALA 13 25.264 -22.888 -3.037 0.159
-ATOM 26 CA CYS 14 27.746 -24.577 -0.131 0.056
-ATOM 27 CB CYS 14 27.244 -25.387 0.659 0.022
-ATOM 28 CA ALA 15 28.792 -28.140 -0.992 0.062
-ATOM 29 CB ALA 15 29.610 -28.345 -1.276 0.041
-ATOM 30 CA ALA 16 30.146 -30.780 1.404 0.016
-ATOM 31 CB ALA 16 29.988 -31.532 1.224 0.043
-ATOM 32 CA ALA 17 33.263 -30.593 3.571 0.007
-ATOM 33 CB ALA 17 32.781 -30.156 4.108 0.043
-ATOM 34 CA GLY 18 36.088 -32.764 4.865 0.000
+ATOM 1 CA GLY 1 14.725 -6.145 -10.369 0.039
+ATOM 2 CA ALA 2 17.465 -6.048 -7.798 0.003
+ATOM 3 CB ALA 2 17.690 -5.471 -7.433 0.013
+ATOM 4 CA ALA 3 17.229 -9.028 -5.416 0.014
+ATOM 5 CB ALA 3 17.842 -9.429 -5.574 0.108
+ATOM 6 CA ALA 4 15.831 -9.617 -1.957 0.009
+ATOM 7 CB ALA 4 15.132 -9.273 -2.124 0.039
+ATOM 8 CA CYS 5 16.012 -13.037 -0.207 0.091
+ATOM 9 CB CYS 5 16.895 -13.508 0.462 0.057
+ATOM 10 CA ALA 6 14.573 -12.968 3.296 0.033
+ATOM 11 CB ALA 6 14.358 -12.303 3.377 0.033
+ATOM 12 CA ALA 7 12.023 -15.662 2.366 0.017
+ATOM 13 CB ALA 7 11.466 -15.704 1.874 0.171
+ATOM 14 CA ALA 8 13.602 -18.288 4.660 0.040
+ATOM 15 CB ALA 8 14.149 -18.046 5.145 0.114
+ATOM 16 CA ALA 9 10.444 -20.376 4.793 0.015
+ATOM 17 CB ALA 9 9.815 -20.091 4.826 0.017
+ATOM 18 CA ALA 10 10.836 -21.360 1.138 0.001
+ATOM 19 CB ALA 10 11.055 -20.888 0.625 0.021
+ATOM 20 CA ALA 11 12.537 -24.554 0.066 0.048
+ATOM 21 CB ALA 11 11.974 -24.942 -0.130 0.054
+ATOM 22 CA ALA 12 15.475 -22.661 -1.284 0.005
+ATOM 23 CB ALA 12 15.336 -22.342 -1.889 0.107
+ATOM 24 CA ALA 13 18.372 -20.781 0.275 0.011
+ATOM 25 CB ALA 13 19.007 -21.101 0.603 0.111
+ATOM 26 CA CYS 14 19.723 -17.355 -0.725 0.043
+ATOM 27 CB CYS 14 18.984 -16.494 -0.175 0.005
+ATOM 28 CA ALA 15 23.217 -15.892 -0.215 0.010
+ATOM 29 CB ALA 15 23.380 -15.655 -0.787 0.041
+ATOM 30 CA ALA 16 24.219 -13.150 2.206 0.002
+ATOM 31 CB ALA 16 24.741 -12.999 2.878 0.130
+ATOM 32 CA ALA 17 25.650 -9.764 1.490 0.050
+ATOM 33 CB ALA 17 25.167 -9.229 1.344 0.038
+ATOM 34 CA GLY 18 27.264 -7.730 4.328 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3682.48 ENERGY -3.05228E+00
+REMARK time 3919.55 ENERGY -2.24352E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.550 5.336 2.467 0.020
-ATOM 2 CA ALA 2 -0.624 2.686 0.060 0.153
-ATOM 3 CB ALA 2 -0.537 2.319 -0.653 0.115
-ATOM 4 CA ALA 3 3.037 1.284 -0.011 0.042
-ATOM 5 CB ALA 3 3.081 1.693 0.553 0.089
-ATOM 6 CA ALA 4 5.188 -1.490 -1.295 0.018
-ATOM 7 CB ALA 4 5.783 -1.352 -1.716 0.001
-ATOM 8 CA CYS 5 6.703 -4.493 0.576 0.039
-ATOM 9 CB CYS 5 5.683 -5.075 0.964 0.013
-ATOM 10 CA ALA 6 9.588 -6.938 0.199 0.003
-ATOM 11 CB ALA 6 9.998 -6.518 0.514 0.050
-ATOM 12 CA ALA 7 10.123 -10.485 -0.962 0.005
-ATOM 13 CB ALA 7 9.989 -10.636 -1.719 0.023
-ATOM 14 CA ALA 8 12.118 -13.343 0.598 0.006
-ATOM 15 CB ALA 8 11.950 -14.086 0.845 0.017
-ATOM 16 CA ALA 9 15.802 -14.417 -0.096 0.015
-ATOM 17 CB ALA 9 16.347 -14.002 0.200 0.008
-ATOM 18 CA ALA 10 17.356 -17.588 -1.424 0.016
-ATOM 19 CB ALA 10 17.000 -17.668 -2.125 0.031
-ATOM 20 CA ALA 11 20.947 -18.543 -0.814 0.020
-ATOM 21 CB ALA 11 21.090 -18.612 -0.105 0.128
-ATOM 22 CA ALA 12 23.499 -19.970 -3.239 0.072
-ATOM 23 CB ALA 12 24.083 -19.589 -3.079 0.047
-ATOM 24 CA ALA 13 25.200 -23.415 -3.248 0.070
-ATOM 25 CB ALA 13 25.177 -23.813 -3.913 0.108
-ATOM 26 CA CYS 14 27.764 -24.958 -0.899 0.001
-ATOM 27 CB CYS 14 27.470 -25.029 0.319 0.035
-ATOM 28 CA ALA 15 30.643 -27.394 -0.376 0.010
-ATOM 29 CB ALA 15 31.360 -27.535 -0.391 0.038
-ATOM 30 CA ALA 16 31.303 -30.504 1.647 0.014
-ATOM 31 CB ALA 16 31.185 -31.242 1.488 0.035
-ATOM 32 CA ALA 17 33.880 -31.404 4.407 0.007
-ATOM 33 CB ALA 17 33.620 -30.775 4.662 0.032
-ATOM 34 CA GLY 18 34.521 -35.094 5.449 0.000
+ATOM 1 CA GLY 1 20.348 -4.764 -9.344 0.012
+ATOM 2 CA ALA 2 20.292 -7.424 -6.515 0.014
+ATOM 3 CB ALA 2 20.868 -7.643 -6.098 0.070
+ATOM 4 CA ALA 3 16.975 -8.549 -4.990 0.029
+ATOM 5 CB ALA 3 16.740 -8.960 -5.567 0.043
+ATOM 6 CA ALA 4 15.715 -8.834 -1.446 0.033
+ATOM 7 CB ALA 4 15.578 -8.336 -0.800 0.077
+ATOM 8 CA CYS 5 13.923 -12.097 -0.415 0.013
+ATOM 9 CB CYS 5 14.636 -12.959 -0.730 0.036
+ATOM 10 CA ALA 6 13.041 -12.848 3.189 0.020
+ATOM 11 CB ALA 6 12.459 -12.651 3.553 0.112
+ATOM 12 CA ALA 7 11.194 -16.156 2.688 0.041
+ATOM 13 CB ALA 7 10.658 -16.325 2.306 0.066
+ATOM 14 CA ALA 8 14.227 -18.146 3.872 0.065
+ATOM 15 CB ALA 8 14.653 -17.557 4.094 0.200
+ATOM 16 CA ALA 9 12.038 -20.903 5.411 0.005
+ATOM 17 CB ALA 9 11.552 -20.661 5.915 0.041
+ATOM 18 CA ALA 10 12.218 -22.831 2.143 0.007
+ATOM 19 CB ALA 10 12.086 -22.129 1.903 0.005
+ATOM 20 CA ALA 11 14.662 -25.437 0.795 0.015
+ATOM 21 CB ALA 11 14.282 -26.009 1.122 0.076
+ATOM 22 CA ALA 12 16.074 -23.028 -1.875 0.068
+ATOM 23 CB ALA 12 15.528 -22.738 -2.218 0.119
+ATOM 24 CA ALA 13 18.141 -20.181 -0.587 0.005
+ATOM 25 CB ALA 13 18.906 -20.244 -0.328 0.021
+ATOM 26 CA CYS 14 17.859 -16.417 -0.654 0.001
+ATOM 27 CB CYS 14 16.748 -15.924 -0.784 0.001
+ATOM 28 CA ALA 15 20.993 -14.907 0.943 0.061
+ATOM 29 CB ALA 15 21.599 -15.084 0.403 0.086
+ATOM 30 CA ALA 16 22.473 -11.537 1.689 0.040
+ATOM 31 CB ALA 16 22.499 -11.305 2.478 0.023
+ATOM 32 CA ALA 17 25.756 -10.515 0.095 0.054
+ATOM 33 CB ALA 17 25.989 -10.078 -0.430 0.030
+ATOM 34 CA GLY 18 29.284 -10.086 1.455 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3708.29 ENERGY -2.80656E+00
+REMARK time 3948.47 ENERGY -5.45518E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.879 2.704 -0.683 0.007
-ATOM 2 CA ALA 2 -0.219 0.419 0.978 0.030
-ATOM 3 CB ALA 2 -0.454 -0.341 0.859 0.050
-ATOM 4 CA ALA 3 3.457 0.906 1.690 0.016
-ATOM 5 CB ALA 3 3.308 0.958 2.369 0.051
-ATOM 6 CA ALA 4 6.246 -1.136 -0.004 0.017
-ATOM 7 CB ALA 4 6.924 -0.889 -0.326 0.040
-ATOM 8 CA CYS 5 7.269 -4.806 0.085 0.045
-ATOM 9 CB CYS 5 6.635 -5.791 -0.315 0.022
-ATOM 10 CA ALA 6 10.531 -6.017 -1.528 0.037
-ATOM 11 CB ALA 6 11.152 -5.555 -1.381 0.126
-ATOM 12 CA ALA 7 10.850 -9.737 -1.103 0.111
-ATOM 13 CB ALA 7 10.683 -9.926 -1.767 0.063
-ATOM 14 CA ALA 8 13.722 -12.102 -0.118 0.074
-ATOM 15 CB ALA 8 13.925 -12.692 0.367 0.105
-ATOM 16 CA ALA 9 16.926 -13.542 -1.676 0.028
-ATOM 17 CB ALA 9 17.656 -13.608 -1.374 0.016
-ATOM 18 CA ALA 10 16.274 -17.286 -2.346 0.005
-ATOM 19 CB ALA 10 16.384 -17.647 -2.966 0.060
-ATOM 20 CA ALA 11 18.310 -19.862 -0.475 0.023
-ATOM 21 CB ALA 11 18.065 -20.325 0.001 0.056
-ATOM 22 CA ALA 12 22.072 -20.714 -0.725 0.014
-ATOM 23 CB ALA 12 22.537 -20.255 -0.561 0.069
-ATOM 24 CA ALA 13 24.150 -23.864 -0.233 0.000
-ATOM 25 CB ALA 13 23.953 -24.302 -0.811 0.010
-ATOM 26 CA CYS 14 27.860 -24.175 0.006 0.039
-ATOM 27 CB CYS 14 28.246 -23.708 1.052 0.005
-ATOM 28 CA ALA 15 30.008 -27.095 -1.049 0.006
-ATOM 29 CB ALA 15 30.403 -26.872 -1.642 0.073
-ATOM 30 CA ALA 16 31.103 -29.890 1.368 0.020
-ATOM 31 CB ALA 16 30.386 -30.234 1.295 0.015
-ATOM 32 CA ALA 17 34.366 -31.033 2.926 0.007
-ATOM 33 CB ALA 17 34.446 -30.478 3.407 0.124
-ATOM 34 CA GLY 18 33.092 -34.450 3.976 0.000
+ATOM 1 CA GLY 1 21.802 -5.672 -7.781 0.020
+ATOM 2 CA ALA 2 20.506 -8.181 -5.183 0.019
+ATOM 3 CB ALA 2 21.038 -8.556 -5.023 0.315
+ATOM 4 CA ALA 3 17.552 -7.212 -3.088 0.028
+ATOM 5 CB ALA 3 16.893 -7.359 -3.379 0.048
+ATOM 6 CA ALA 4 16.296 -9.167 -0.080 0.110
+ATOM 7 CB ALA 4 16.128 -8.668 0.419 0.005
+ATOM 8 CA CYS 5 14.596 -12.632 -0.209 0.019
+ATOM 9 CB CYS 5 15.012 -13.819 -0.209 0.030
+ATOM 10 CA ALA 6 11.509 -12.969 1.968 0.044
+ATOM 11 CB ALA 6 10.923 -12.382 1.924 0.073
+ATOM 12 CA ALA 7 10.368 -16.623 1.901 0.011
+ATOM 13 CB ALA 7 9.850 -16.782 1.322 0.027
+ATOM 14 CA ALA 8 13.553 -18.189 3.335 0.012
+ATOM 15 CB ALA 8 14.281 -17.767 3.427 0.001
+ATOM 16 CA ALA 9 11.552 -20.564 5.573 0.003
+ATOM 17 CB ALA 9 10.837 -20.572 5.776 0.113
+ATOM 18 CA ALA 10 11.226 -23.118 2.836 0.031
+ATOM 19 CB ALA 10 11.106 -23.146 2.123 0.057
+ATOM 20 CA ALA 11 14.138 -25.382 1.970 0.023
+ATOM 21 CB ALA 11 13.669 -25.979 1.996 0.006
+ATOM 22 CA ALA 12 15.471 -22.963 -0.591 0.051
+ATOM 23 CB ALA 12 14.874 -22.683 -0.859 0.022
+ATOM 24 CA ALA 13 18.434 -20.563 -0.268 0.005
+ATOM 25 CB ALA 13 18.995 -21.012 -0.335 0.005
+ATOM 26 CA CYS 14 19.008 -16.834 -0.977 0.006
+ATOM 27 CB CYS 14 17.939 -16.372 -0.886 0.010
+ATOM 28 CA ALA 15 22.307 -14.862 -1.251 0.009
+ATOM 29 CB ALA 15 22.135 -14.697 -1.972 0.082
+ATOM 30 CA ALA 16 24.424 -12.200 0.286 0.017
+ATOM 31 CB ALA 16 25.166 -12.122 0.613 0.152
+ATOM 32 CA ALA 17 24.983 -8.810 -1.375 0.057
+ATOM 33 CB ALA 17 24.570 -8.376 -1.693 0.047
+ATOM 34 CA GLY 18 27.119 -6.149 0.161 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3735.12 ENERGY -5.34304E+00
+REMARK time 3975.86 ENERGY 2.42007E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.778 3.302 1.973 0.032
-ATOM 2 CA ALA 2 -1.221 0.041 0.694 0.031
-ATOM 3 CB ALA 2 -1.263 -0.259 -0.040 0.007
-ATOM 4 CA ALA 3 2.491 -0.391 1.324 0.009
-ATOM 5 CB ALA 3 2.720 -0.783 1.887 0.046
-ATOM 6 CA ALA 4 5.347 -1.512 -0.782 0.002
-ATOM 7 CB ALA 4 6.006 -1.213 -0.933 0.019
-ATOM 8 CA CYS 5 7.699 -4.481 -0.022 0.014
-ATOM 9 CB CYS 5 7.286 -5.609 -0.505 0.016
-ATOM 10 CA ALA 6 11.410 -4.582 -0.311 0.006
-ATOM 11 CB ALA 6 11.346 -4.823 0.325 0.061
-ATOM 12 CA ALA 7 12.703 -7.454 -2.361 0.033
-ATOM 13 CB ALA 7 13.106 -7.144 -2.935 0.076
-ATOM 14 CA ALA 8 12.950 -11.173 -1.785 0.026
-ATOM 15 CB ALA 8 12.590 -11.760 -1.793 0.012
-ATOM 16 CA ALA 9 15.897 -13.645 -2.159 0.019
-ATOM 17 CB ALA 9 16.631 -13.711 -2.017 0.011
-ATOM 18 CA ALA 10 16.288 -17.297 -1.532 0.037
-ATOM 19 CB ALA 10 16.172 -17.720 -2.146 0.059
-ATOM 20 CA ALA 11 19.088 -18.910 0.458 0.091
-ATOM 21 CB ALA 11 19.214 -19.408 1.019 0.005
-ATOM 22 CA ALA 12 22.093 -20.948 -0.596 0.045
-ATOM 23 CB ALA 12 22.537 -20.488 -0.124 0.176
-ATOM 24 CA ALA 13 23.598 -24.403 -0.699 0.007
-ATOM 25 CB ALA 13 23.345 -24.848 -1.338 0.050
-ATOM 26 CA CYS 14 26.740 -25.453 1.026 0.028
-ATOM 27 CB CYS 14 26.752 -24.885 2.170 0.069
-ATOM 28 CA ALA 15 29.489 -27.806 -0.222 0.034
-ATOM 29 CB ALA 15 29.952 -27.796 -0.844 0.256
-ATOM 30 CA ALA 16 31.787 -29.962 1.877 0.069
-ATOM 31 CB ALA 16 31.233 -30.255 2.209 0.046
-ATOM 32 CA ALA 17 35.308 -31.409 1.755 0.020
-ATOM 33 CB ALA 17 35.930 -31.021 1.693 0.015
-ATOM 34 CA GLY 18 35.793 -34.801 3.122 0.000
+ATOM 1 CA GLY 1 18.829 -2.410 -7.713 0.000
+ATOM 2 CA ALA 2 19.775 -5.190 -5.329 0.014
+ATOM 3 CB ALA 2 19.794 -5.203 -4.596 0.023
+ATOM 4 CA ALA 3 18.453 -8.700 -5.455 0.013
+ATOM 5 CB ALA 3 19.071 -8.987 -5.702 0.003
+ATOM 6 CA ALA 4 16.074 -10.166 -2.783 0.026
+ATOM 7 CB ALA 4 15.610 -10.221 -3.315 0.127
+ATOM 8 CA CYS 5 15.007 -12.956 -0.468 0.034
+ATOM 9 CB CYS 5 15.916 -13.834 -0.608 0.071
+ATOM 10 CA ALA 6 13.395 -11.781 2.728 0.037
+ATOM 11 CB ALA 6 12.628 -11.528 2.740 0.119
+ATOM 12 CA ALA 7 11.669 -15.055 3.555 0.024
+ATOM 13 CB ALA 7 11.475 -15.014 2.866 0.039
+ATOM 14 CA ALA 8 11.594 -18.298 5.585 0.008
+ATOM 15 CB ALA 8 11.668 -18.326 6.267 0.079
+ATOM 16 CA ALA 9 9.172 -20.989 4.517 0.021
+ATOM 17 CB ALA 9 8.540 -20.609 4.597 0.107
+ATOM 18 CA ALA 10 11.789 -22.386 2.020 0.041
+ATOM 19 CB ALA 10 12.173 -21.983 1.570 0.087
+ATOM 20 CA ALA 11 14.272 -25.220 2.478 0.004
+ATOM 21 CB ALA 11 14.059 -25.955 2.156 0.009
+ATOM 22 CA ALA 12 16.694 -23.740 -0.116 0.037
+ATOM 23 CB ALA 12 16.668 -23.682 -0.883 0.030
+ATOM 24 CA ALA 13 19.135 -20.999 0.578 0.007
+ATOM 25 CB ALA 13 19.918 -20.926 0.682 0.216
+ATOM 26 CA CYS 14 19.226 -17.500 -0.987 0.008
+ATOM 27 CB CYS 14 18.130 -16.938 -0.786 0.031
+ATOM 28 CA ALA 15 22.050 -15.363 -2.279 0.011
+ATOM 29 CB ALA 15 21.876 -14.757 -2.763 0.013
+ATOM 30 CA ALA 16 23.478 -13.120 0.443 0.010
+ATOM 31 CB ALA 16 23.462 -12.759 1.056 0.283
+ATOM 32 CA ALA 17 25.041 -9.809 -0.585 0.017
+ATOM 33 CB ALA 17 24.353 -9.685 -0.810 0.096
+ATOM 34 CA GLY 18 26.533 -7.596 2.105 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3763.21 ENERGY -8.30227E+00
+REMARK time 4004.53 ENERGY 4.36778E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -4.172 2.168 1.803 0.010
-ATOM 2 CA ALA 2 -1.299 0.124 0.474 0.003
-ATOM 3 CB ALA 2 -1.208 -0.148 -0.196 0.114
-ATOM 4 CA ALA 3 2.243 -0.298 1.888 0.013
-ATOM 5 CB ALA 3 2.534 -0.628 2.433 0.077
-ATOM 6 CA ALA 4 5.397 -0.401 -0.138 0.024
-ATOM 7 CB ALA 4 5.978 0.024 -0.032 0.068
-ATOM 8 CA CYS 5 6.835 -3.718 -1.366 0.023
-ATOM 9 CB CYS 5 5.966 -4.244 -2.065 0.049
-ATOM 10 CA ALA 6 10.491 -5.057 -1.160 0.016
-ATOM 11 CB ALA 6 11.114 -5.072 -0.752 0.012
-ATOM 12 CA ALA 7 11.742 -8.521 -2.243 0.034
-ATOM 13 CB ALA 7 11.860 -9.222 -2.413 0.220
-ATOM 14 CA ALA 8 14.138 -10.823 -0.326 0.022
-ATOM 15 CB ALA 8 14.152 -11.433 0.173 0.047
-ATOM 16 CA ALA 9 17.317 -12.455 -1.194 0.046
-ATOM 17 CB ALA 9 17.913 -12.495 -0.709 0.101
-ATOM 18 CA ALA 10 17.108 -16.195 -1.775 0.010
-ATOM 19 CB ALA 10 16.889 -16.069 -2.507 0.029
-ATOM 20 CA ALA 11 19.502 -18.822 -0.330 0.012
-ATOM 21 CB ALA 11 19.405 -19.463 0.056 0.206
-ATOM 22 CA ALA 12 22.172 -21.389 -1.289 0.009
-ATOM 23 CB ALA 12 22.831 -21.084 -1.436 0.042
-ATOM 24 CA ALA 13 23.446 -24.719 0.092 0.002
-ATOM 25 CB ALA 13 23.043 -25.146 -0.186 0.041
-ATOM 26 CA CYS 14 26.925 -25.874 0.993 0.015
-ATOM 27 CB CYS 14 27.442 -25.656 2.059 0.034
-ATOM 28 CA ALA 15 28.669 -29.195 0.677 0.004
-ATOM 29 CB ALA 15 28.657 -29.315 0.010 0.033
-ATOM 30 CA ALA 16 31.959 -30.357 2.289 0.002
-ATOM 31 CB ALA 16 31.549 -30.476 2.949 0.105
-ATOM 32 CA ALA 17 35.250 -31.748 0.977 0.011
-ATOM 33 CB ALA 17 35.324 -31.217 0.413 0.029
-ATOM 34 CA GLY 18 37.550 -34.168 2.735 0.000
+ATOM 1 CA GLY 1 18.589 -4.131 -8.004 0.044
+ATOM 2 CA ALA 2 18.396 -7.293 -5.962 0.012
+ATOM 3 CB ALA 2 18.498 -7.396 -5.218 0.133
+ATOM 4 CA ALA 3 15.471 -9.551 -5.036 0.101
+ATOM 5 CB ALA 3 15.421 -10.029 -5.484 0.014
+ATOM 6 CA ALA 4 14.519 -10.710 -1.599 0.071
+ATOM 7 CB ALA 4 13.999 -10.812 -0.989 0.133
+ATOM 8 CA CYS 5 15.170 -14.323 -0.370 0.010
+ATOM 9 CB CYS 5 16.075 -14.634 -1.152 0.098
+ATOM 10 CA ALA 6 14.994 -12.964 3.207 0.057
+ATOM 11 CB ALA 6 14.963 -12.312 3.457 0.100
+ATOM 12 CA ALA 7 11.921 -14.740 4.360 0.031
+ATOM 13 CB ALA 7 11.456 -14.317 3.949 0.008
+ATOM 14 CA ALA 8 11.343 -18.342 5.494 0.022
+ATOM 15 CB ALA 8 11.522 -18.149 6.158 0.064
+ATOM 16 CA ALA 9 8.748 -20.104 3.172 0.050
+ATOM 17 CB ALA 9 8.281 -19.670 2.787 0.037
+ATOM 18 CA ALA 10 11.415 -21.434 0.854 0.018
+ATOM 19 CB ALA 10 11.548 -20.986 0.385 0.013
+ATOM 20 CA ALA 11 13.841 -24.148 1.869 0.014
+ATOM 21 CB ALA 11 13.585 -24.757 1.731 0.055
+ATOM 22 CA ALA 12 16.404 -22.967 -0.800 0.005
+ATOM 23 CB ALA 12 16.124 -22.896 -1.514 0.005
+ATOM 24 CA ALA 13 18.510 -20.228 0.904 0.007
+ATOM 25 CB ALA 13 18.843 -20.495 1.478 0.017
+ATOM 26 CA CYS 14 20.142 -17.436 -1.153 0.023
+ATOM 27 CB CYS 14 19.454 -16.523 -1.591 0.003
+ATOM 28 CA ALA 15 22.948 -15.116 -0.060 0.019
+ATOM 29 CB ALA 15 23.671 -14.929 0.084 0.014
+ATOM 30 CA ALA 16 24.419 -11.800 -1.341 0.048
+ATOM 31 CB ALA 16 24.012 -11.161 -1.219 0.033
+ATOM 32 CA ALA 17 27.164 -9.771 0.344 0.031
+ATOM 33 CB ALA 17 27.664 -9.538 -0.140 0.073
+ATOM 34 CA GLY 18 27.371 -7.377 3.401 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3790.09 ENERGY -8.08120E+00
+REMARK time 4028.31 ENERGY -4.49741E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.481 4.008 0.944 0.011
-ATOM 2 CA ALA 2 -1.302 1.025 -0.090 0.050
-ATOM 3 CB ALA 2 -1.214 0.500 -0.658 0.020
-ATOM 4 CA ALA 3 2.371 0.610 0.797 0.000
-ATOM 5 CB ALA 3 2.407 0.036 1.247 0.012
-ATOM 6 CA ALA 4 4.620 -1.730 -1.199 0.049
-ATOM 7 CB ALA 4 4.874 -1.041 -1.499 0.032
-ATOM 8 CA CYS 5 6.116 -5.098 -0.092 0.068
-ATOM 9 CB CYS 5 5.762 -6.253 -0.300 0.026
-ATOM 10 CA ALA 6 9.833 -5.865 0.337 0.027
-ATOM 11 CB ALA 6 9.579 -5.819 0.929 0.012
-ATOM 12 CA ALA 7 12.423 -7.935 -1.435 0.024
-ATOM 13 CB ALA 7 12.509 -7.515 -2.008 0.109
-ATOM 14 CA ALA 8 14.349 -10.704 0.299 0.001
-ATOM 15 CB ALA 8 14.293 -11.352 0.673 0.070
-ATOM 16 CA ALA 9 16.749 -12.827 -1.754 0.007
-ATOM 17 CB ALA 9 17.379 -12.743 -1.704 0.253
-ATOM 18 CA ALA 10 17.656 -16.359 -0.654 0.025
-ATOM 19 CB ALA 10 17.437 -16.727 -1.249 0.103
-ATOM 20 CA ALA 11 20.859 -18.111 0.440 0.002
-ATOM 21 CB ALA 11 21.150 -18.436 1.064 0.100
-ATOM 22 CA ALA 12 23.210 -20.663 -1.178 0.012
-ATOM 23 CB ALA 12 23.727 -20.579 -1.779 0.160
-ATOM 24 CA ALA 13 24.520 -24.179 -0.046 0.029
-ATOM 25 CB ALA 13 24.049 -24.575 0.259 0.090
-ATOM 26 CA CYS 14 27.564 -26.206 -1.012 0.013
-ATOM 27 CB CYS 14 28.774 -25.860 -0.770 0.024
-ATOM 28 CA ALA 15 28.038 -29.922 -0.571 0.008
-ATOM 29 CB ALA 15 28.118 -30.423 -1.123 0.081
-ATOM 30 CA ALA 16 30.508 -30.784 2.115 0.028
-ATOM 31 CB ALA 16 30.187 -31.010 2.713 0.152
-ATOM 32 CA ALA 17 34.345 -30.812 2.106 0.021
-ATOM 33 CB ALA 17 34.341 -30.044 2.099 0.054
-ATOM 34 CA GLY 18 35.979 -33.788 3.850 0.000
+ATOM 1 CA GLY 1 15.422 -8.357 -10.601 0.004
+ATOM 2 CA ALA 2 16.514 -8.648 -6.911 0.013
+ATOM 3 CB ALA 2 16.787 -7.913 -6.685 0.125
+ATOM 4 CA ALA 3 15.244 -10.702 -4.054 0.038
+ATOM 5 CB ALA 3 15.644 -11.025 -4.502 0.119
+ATOM 6 CA ALA 4 16.094 -11.173 -0.455 0.034
+ATOM 7 CB ALA 4 15.933 -10.592 -0.041 0.071
+ATOM 8 CA CYS 5 15.411 -14.295 1.487 0.012
+ATOM 9 CB CYS 5 16.297 -15.172 1.376 0.032
+ATOM 10 CA ALA 6 14.344 -14.499 5.160 0.017
+ATOM 11 CB ALA 6 13.863 -14.073 5.641 0.117
+ATOM 12 CA ALA 7 10.590 -15.030 4.937 0.014
+ATOM 13 CB ALA 7 10.405 -14.897 4.226 0.036
+ATOM 14 CA ALA 8 9.687 -18.722 5.148 0.024
+ATOM 15 CB ALA 8 9.063 -19.033 5.534 0.017
+ATOM 16 CA ALA 9 8.179 -18.863 1.662 0.040
+ATOM 17 CB ALA 9 7.866 -18.278 1.287 0.061
+ATOM 18 CA ALA 10 11.655 -19.578 0.008 0.015
+ATOM 19 CB ALA 10 12.257 -19.068 0.007 0.002
+ATOM 20 CA ALA 11 13.235 -23.013 0.065 0.029
+ATOM 21 CB ALA 11 12.939 -23.505 -0.298 0.065
+ATOM 22 CA ALA 12 16.486 -21.817 -1.544 0.027
+ATOM 23 CB ALA 12 16.541 -21.487 -2.109 0.062
+ATOM 24 CA ALA 13 19.764 -20.218 -0.309 0.027
+ATOM 25 CB ALA 13 20.366 -20.570 -0.578 0.035
+ATOM 26 CA CYS 14 20.714 -16.593 0.232 0.019
+ATOM 27 CB CYS 14 19.722 -15.877 0.635 0.007
+ATOM 28 CA ALA 15 24.116 -14.904 -0.106 0.035
+ATOM 29 CB ALA 15 24.385 -14.967 -0.771 0.037
+ATOM 30 CA ALA 16 25.400 -11.432 0.673 0.011
+ATOM 31 CB ALA 16 25.644 -11.184 1.322 0.096
+ATOM 32 CA ALA 17 28.020 -9.624 -1.398 0.037
+ATOM 33 CB ALA 17 27.633 -9.105 -1.772 0.018
+ATOM 34 CA GLY 18 29.873 -6.915 0.550 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3814.17 ENERGY -7.80532E+00
+REMARK time 4054.05 ENERGY -8.94074E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.101 4.733 -2.070 0.058
-ATOM 2 CA ALA 2 -1.385 1.304 -0.568 0.058
-ATOM 3 CB ALA 2 -1.908 0.758 -0.564 0.029
-ATOM 4 CA ALA 3 2.135 0.473 0.645 0.027
-ATOM 5 CB ALA 3 2.181 0.759 1.364 0.062
-ATOM 6 CA ALA 4 4.572 -2.034 -0.855 0.016
-ATOM 7 CB ALA 4 4.870 -1.693 -1.485 0.188
-ATOM 8 CA CYS 5 6.278 -5.059 0.603 0.009
-ATOM 9 CB CYS 5 6.089 -5.396 1.743 0.032
-ATOM 10 CA ALA 6 9.688 -6.206 -0.591 0.083
-ATOM 11 CB ALA 6 10.263 -5.696 -0.495 0.088
-ATOM 12 CA ALA 7 10.634 -9.871 -0.505 0.026
-ATOM 13 CB ALA 7 10.449 -10.472 -0.876 0.110
-ATOM 14 CA ALA 8 13.699 -11.796 0.789 0.024
-ATOM 15 CB ALA 8 13.356 -12.416 0.854 0.136
-ATOM 16 CA ALA 9 17.231 -12.705 -0.081 0.028
-ATOM 17 CB ALA 9 17.758 -12.150 0.071 0.038
-ATOM 18 CA ALA 10 18.448 -16.311 -0.442 0.010
-ATOM 19 CB ALA 10 18.069 -16.268 -0.977 0.093
-ATOM 20 CA ALA 11 22.170 -17.075 -0.925 0.028
-ATOM 21 CB ALA 11 22.683 -17.112 -0.339 0.034
-ATOM 22 CA ALA 12 22.757 -20.601 -2.250 0.038
-ATOM 23 CB ALA 12 22.757 -20.183 -2.908 0.078
-ATOM 24 CA ALA 13 24.154 -23.796 -0.588 0.005
-ATOM 25 CB ALA 13 23.796 -24.201 -0.147 0.008
-ATOM 26 CA CYS 14 27.557 -25.430 -1.447 0.028
-ATOM 27 CB CYS 14 28.541 -24.859 -0.937 0.031
-ATOM 28 CA ALA 15 28.937 -28.941 -0.691 0.010
-ATOM 29 CB ALA 15 28.831 -28.799 -1.369 0.053
-ATOM 30 CA ALA 16 31.605 -29.967 1.834 0.009
-ATOM 31 CB ALA 16 31.818 -29.738 2.560 0.013
-ATOM 32 CA ALA 17 33.521 -33.192 2.314 0.011
-ATOM 33 CB ALA 17 34.188 -33.297 2.054 0.063
-ATOM 34 CA GLY 18 34.053 -34.990 5.703 0.000
+ATOM 1 CA GLY 1 15.325 -10.314 -9.782 0.020
+ATOM 2 CA ALA 2 15.733 -8.878 -6.287 0.015
+ATOM 3 CB ALA 2 15.355 -8.281 -6.086 0.095
+ATOM 4 CA ALA 3 15.674 -11.957 -4.139 0.025
+ATOM 5 CB ALA 3 16.310 -11.995 -3.835 0.275
+ATOM 6 CA ALA 4 14.529 -11.836 -0.454 0.039
+ATOM 7 CB ALA 4 13.882 -11.732 -0.180 0.183
+ATOM 8 CA CYS 5 15.998 -13.702 2.495 0.016
+ATOM 9 CB CYS 5 17.107 -13.874 2.447 0.019
+ATOM 10 CA ALA 6 14.508 -13.179 5.893 0.088
+ATOM 11 CB ALA 6 14.770 -12.445 5.753 0.055
+ATOM 12 CA ALA 7 11.424 -15.178 4.917 0.022
+ATOM 13 CB ALA 7 11.150 -15.248 4.209 0.077
+ATOM 14 CA ALA 8 10.269 -18.732 4.558 0.010
+ATOM 15 CB ALA 8 9.583 -18.572 4.816 0.036
+ATOM 16 CA ALA 9 8.694 -18.121 1.133 0.014
+ATOM 17 CB ALA 9 8.788 -17.437 0.777 0.077
+ATOM 18 CA ALA 10 11.712 -19.414 -0.918 0.017
+ATOM 19 CB ALA 10 12.211 -18.846 -1.210 0.045
+ATOM 20 CA ALA 11 12.970 -22.900 -1.527 0.013
+ATOM 21 CB ALA 11 12.743 -23.358 -1.985 0.109
+ATOM 22 CA ALA 12 16.549 -21.562 -1.941 0.010
+ATOM 23 CB ALA 12 16.729 -21.185 -2.580 0.044
+ATOM 24 CA ALA 13 19.308 -20.325 0.295 0.015
+ATOM 25 CB ALA 13 19.784 -20.992 0.327 0.094
+ATOM 26 CA CYS 14 20.716 -16.792 0.282 0.006
+ATOM 27 CB CYS 14 19.769 -15.953 0.605 0.023
+ATOM 28 CA ALA 15 24.152 -15.112 -0.106 0.004
+ATOM 29 CB ALA 15 24.575 -15.402 -0.683 0.022
+ATOM 30 CA ALA 16 25.600 -11.820 1.231 0.006
+ATOM 31 CB ALA 16 25.697 -11.774 1.921 0.034
+ATOM 32 CA ALA 17 26.825 -8.797 -0.758 0.001
+ATOM 33 CB ALA 17 26.438 -8.113 -0.701 0.018
+ATOM 34 CA GLY 18 30.536 -8.216 -1.529 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3835.29 ENERGY -8.29768E+00
+REMARK time 4072.26 ENERGY -2.43574E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.299 3.821 -2.769 0.013
-ATOM 2 CA ALA 2 -0.039 0.707 -1.003 0.006
-ATOM 3 CB ALA 2 0.077 0.308 -1.660 0.078
-ATOM 4 CA ALA 3 3.496 0.199 0.240 0.016
-ATOM 5 CB ALA 3 3.534 0.005 0.985 0.027
-ATOM 6 CA ALA 4 6.268 -2.219 -0.840 0.008
-ATOM 7 CB ALA 4 6.907 -2.201 -0.465 0.064
-ATOM 8 CA CYS 5 5.799 -5.600 0.973 0.043
-ATOM 9 CB CYS 5 5.827 -5.268 2.096 0.001
-ATOM 10 CA ALA 6 8.034 -8.594 -0.044 0.045
-ATOM 11 CB ALA 6 8.221 -8.449 -0.764 0.214
-ATOM 12 CA ALA 7 10.657 -10.682 1.673 0.010
-ATOM 13 CB ALA 7 10.094 -11.190 1.535 0.237
-ATOM 14 CA ALA 8 14.300 -10.383 0.592 0.033
-ATOM 15 CB ALA 8 14.995 -10.340 0.878 0.035
-ATOM 16 CA ALA 9 15.653 -13.200 -1.524 0.034
-ATOM 17 CB ALA 9 15.703 -12.899 -2.214 0.149
-ATOM 18 CA ALA 10 17.897 -16.011 -0.261 0.094
-ATOM 19 CB ALA 10 17.661 -16.491 0.226 0.055
-ATOM 20 CA ALA 11 21.252 -17.101 -1.564 0.048
-ATOM 21 CB ALA 11 21.862 -16.661 -1.541 0.015
-ATOM 22 CA ALA 12 22.745 -20.554 -2.417 0.001
-ATOM 23 CB ALA 12 23.285 -20.864 -2.888 0.074
-ATOM 24 CA ALA 13 25.052 -22.420 -0.133 0.021
-ATOM 25 CB ALA 13 24.605 -22.741 0.390 0.087
-ATOM 26 CA CYS 14 28.346 -24.233 -0.842 0.015
-ATOM 27 CB CYS 14 29.512 -23.704 -0.765 0.006
-ATOM 28 CA ALA 15 28.840 -28.026 -0.449 0.013
-ATOM 29 CB ALA 15 28.803 -28.348 -1.067 0.038
-ATOM 30 CA ALA 16 30.982 -29.427 2.330 0.022
-ATOM 31 CB ALA 16 30.545 -29.766 2.828 0.081
-ATOM 32 CA ALA 17 32.823 -32.732 2.048 0.005
-ATOM 33 CB ALA 17 33.342 -32.304 2.306 0.018
-ATOM 34 CA GLY 18 31.535 -36.207 3.032 0.000
+ATOM 1 CA GLY 1 13.996 -9.816 -9.632 0.045
+ATOM 2 CA ALA 2 15.934 -8.973 -6.450 0.014
+ATOM 3 CB ALA 2 15.846 -8.360 -6.012 0.015
+ATOM 4 CA ALA 3 15.071 -11.249 -3.617 0.037
+ATOM 5 CB ALA 3 15.045 -11.893 -4.015 0.010
+ATOM 6 CA ALA 4 15.422 -11.393 0.131 0.001
+ATOM 7 CB ALA 4 14.827 -11.164 0.451 0.133
+ATOM 8 CA CYS 5 15.606 -14.579 2.142 0.039
+ATOM 9 CB CYS 5 16.812 -14.848 1.984 0.016
+ATOM 10 CA ALA 6 14.431 -13.230 5.429 0.130
+ATOM 11 CB ALA 6 14.028 -12.617 5.555 0.016
+ATOM 12 CA ALA 7 10.781 -13.698 4.390 0.009
+ATOM 13 CB ALA 7 10.724 -13.271 3.722 0.012
+ATOM 14 CA ALA 8 10.091 -17.334 4.533 0.058
+ATOM 15 CB ALA 8 9.570 -17.355 5.044 0.044
+ATOM 16 CA ALA 9 9.106 -19.043 1.288 0.043
+ATOM 17 CB ALA 9 8.540 -18.707 0.905 0.082
+ATOM 18 CA ALA 10 12.630 -19.195 -0.164 0.025
+ATOM 19 CB ALA 10 13.095 -18.651 -0.368 0.129
+ATOM 20 CA ALA 11 14.270 -22.635 0.234 0.006
+ATOM 21 CB ALA 11 14.052 -23.136 -0.222 0.088
+ATOM 22 CA ALA 12 16.645 -21.831 -2.682 0.032
+ATOM 23 CB ALA 12 16.272 -21.684 -3.380 0.163
+ATOM 24 CA ALA 13 20.036 -20.773 -1.283 0.011
+ATOM 25 CB ALA 13 20.700 -21.152 -1.456 0.027
+ATOM 26 CA CYS 14 20.758 -17.100 -0.573 0.005
+ATOM 27 CB CYS 14 19.662 -16.418 -0.408 0.009
+ATOM 28 CA ALA 15 23.838 -15.227 0.573 0.009
+ATOM 29 CB ALA 15 24.296 -15.281 0.010 0.065
+ATOM 30 CA ALA 16 24.905 -11.834 1.559 0.026
+ATOM 31 CB ALA 16 25.605 -11.983 1.862 0.018
+ATOM 32 CA ALA 17 26.689 -9.595 -0.893 0.014
+ATOM 33 CB ALA 17 26.477 -9.024 -1.188 0.050
+ATOM 34 CA GLY 18 29.816 -7.934 0.557 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3858.16 ENERGY -1.53807E+00
+REMARK time 4095.29 ENERGY -2.41890E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 2.600 4.744 -2.657 0.006
-ATOM 2 CA ALA 2 0.183 1.992 -1.701 0.063
-ATOM 3 CB ALA 2 -0.178 1.595 -2.129 0.053
-ATOM 4 CA ALA 3 3.224 -0.127 -0.816 0.021
-ATOM 5 CB ALA 3 3.937 0.138 -0.690 0.039
-ATOM 6 CA ALA 4 3.746 -3.791 -0.067 0.004
-ATOM 7 CB ALA 4 3.895 -4.201 -0.709 0.058
-ATOM 8 CA CYS 5 6.374 -5.522 2.100 0.015
-ATOM 9 CB CYS 5 7.148 -4.475 1.882 0.062
-ATOM 10 CA ALA 6 6.887 -9.280 1.835 0.002
-ATOM 11 CB ALA 6 6.451 -9.854 1.584 0.015
-ATOM 12 CA ALA 7 10.317 -10.943 1.966 0.013
-ATOM 13 CB ALA 7 10.693 -11.628 2.037 0.268
-ATOM 14 CA ALA 8 12.768 -11.571 -0.945 0.010
-ATOM 15 CB ALA 8 13.192 -10.955 -1.056 0.064
-ATOM 16 CA ALA 9 15.201 -14.478 -1.084 0.010
-ATOM 17 CB ALA 9 14.994 -14.508 -1.780 0.162
-ATOM 18 CA ALA 10 18.938 -15.104 -0.415 0.016
-ATOM 19 CB ALA 10 19.152 -15.509 0.156 0.015
-ATOM 20 CA ALA 11 22.024 -16.553 -2.214 0.059
-ATOM 21 CB ALA 11 22.449 -16.004 -2.265 0.036
-ATOM 22 CA ALA 12 23.615 -19.983 -2.455 0.019
-ATOM 23 CB ALA 12 23.652 -20.163 -3.203 0.107
-ATOM 24 CA ALA 13 26.156 -21.322 -0.073 0.024
-ATOM 25 CB ALA 13 25.772 -21.785 0.380 0.043
-ATOM 26 CA CYS 14 29.154 -23.706 -0.077 0.002
-ATOM 27 CB CYS 14 30.107 -23.150 0.499 0.022
-ATOM 28 CA ALA 15 28.301 -27.344 0.511 0.007
-ATOM 29 CB ALA 15 27.742 -27.777 0.175 0.080
-ATOM 30 CA ALA 16 30.358 -30.197 1.971 0.034
-ATOM 31 CB ALA 16 30.330 -30.364 2.784 0.064
-ATOM 32 CA ALA 17 32.147 -33.259 0.582 0.014
-ATOM 33 CB ALA 17 32.787 -33.420 0.763 0.106
-ATOM 34 CA GLY 18 31.497 -36.296 2.740 0.000
+ATOM 1 CA GLY 1 13.673 -5.723 -8.328 0.002
+ATOM 2 CA ALA 2 15.795 -8.535 -6.969 0.063
+ATOM 3 CB ALA 2 16.331 -8.237 -6.522 0.054
+ATOM 4 CA ALA 3 15.047 -11.555 -4.875 0.044
+ATOM 5 CB ALA 3 14.975 -11.962 -5.530 0.041
+ATOM 6 CA ALA 4 15.344 -11.679 -1.126 0.022
+ATOM 7 CB ALA 4 14.943 -11.284 -0.656 0.167
+ATOM 8 CA CYS 5 15.581 -14.819 0.729 0.012
+ATOM 9 CB CYS 5 16.744 -15.002 0.406 0.028
+ATOM 10 CA ALA 6 15.217 -13.268 4.135 0.047
+ATOM 11 CB ALA 6 15.446 -12.540 4.117 0.031
+ATOM 12 CA ALA 7 11.433 -14.075 3.943 0.077
+ATOM 13 CB ALA 7 10.956 -13.908 3.440 0.067
+ATOM 14 CA ALA 8 10.970 -17.585 5.316 0.027
+ATOM 15 CB ALA 8 11.120 -17.905 5.919 0.148
+ATOM 16 CA ALA 9 8.961 -18.655 2.228 0.006
+ATOM 17 CB ALA 9 8.730 -18.456 1.519 0.137
+ATOM 18 CA ALA 10 12.029 -19.595 0.255 0.015
+ATOM 19 CB ALA 10 12.477 -19.076 0.370 0.079
+ATOM 20 CA ALA 11 13.165 -23.202 0.130 0.023
+ATOM 21 CB ALA 11 13.003 -23.583 -0.404 0.021
+ATOM 22 CA ALA 12 16.751 -22.180 -0.585 0.039
+ATOM 23 CB ALA 12 16.658 -22.178 -1.305 0.058
+ATOM 24 CA ALA 13 19.971 -20.850 0.676 0.004
+ATOM 25 CB ALA 13 20.445 -21.246 0.978 0.025
+ATOM 26 CA CYS 14 20.730 -17.507 -1.017 0.025
+ATOM 27 CB CYS 14 20.061 -16.427 -0.614 0.046
+ATOM 28 CA ALA 15 23.606 -14.979 -1.257 0.021
+ATOM 29 CB ALA 15 23.796 -15.060 -2.033 0.039
+ATOM 30 CA ALA 16 24.418 -11.982 0.932 0.020
+ATOM 31 CB ALA 16 24.121 -12.363 1.548 0.066
+ATOM 32 CA ALA 17 27.217 -9.472 0.658 0.009
+ATOM 33 CB ALA 17 26.895 -8.784 0.412 0.007
+ATOM 34 CA GLY 18 28.917 -7.213 3.220 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3888.00 ENERGY -4.85225E+00
+REMARK time 4122.86 ENERGY 3.01953E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.935 4.893 -1.390 0.116
-ATOM 2 CA ALA 2 2.459 3.427 -0.585 0.022
-ATOM 3 CB ALA 2 2.819 2.962 -0.016 0.113
-ATOM 4 CA ALA 3 2.802 -0.254 -1.604 0.009
-ATOM 5 CB ALA 3 2.680 0.113 -2.215 0.113
-ATOM 6 CA ALA 4 4.254 -3.249 0.271 0.022
-ATOM 7 CB ALA 4 3.672 -3.326 0.780 0.038
-ATOM 8 CA CYS 5 6.865 -6.006 -0.028 0.006
-ATOM 9 CB CYS 5 7.892 -5.511 -0.474 0.031
-ATOM 10 CA ALA 6 7.045 -9.768 -0.236 0.012
-ATOM 11 CB ALA 6 6.491 -9.663 -0.805 0.065
-ATOM 12 CA ALA 7 9.663 -12.022 1.373 0.021
-ATOM 13 CB ALA 7 9.528 -12.498 1.941 0.060
-ATOM 14 CA ALA 8 12.764 -12.791 -0.690 0.008
-ATOM 15 CB ALA 8 12.559 -12.100 -0.740 0.111
-ATOM 16 CA ALA 9 15.477 -15.501 -0.629 0.025
-ATOM 17 CB ALA 9 15.687 -15.882 -1.257 0.077
-ATOM 18 CA ALA 10 18.931 -14.189 0.410 0.010
-ATOM 19 CB ALA 10 18.995 -13.870 1.081 0.043
-ATOM 20 CA ALA 11 21.683 -16.487 -0.944 0.018
-ATOM 21 CB ALA 11 22.004 -16.076 -1.483 0.014
-ATOM 22 CA ALA 12 23.166 -19.499 0.893 0.032
-ATOM 23 CB ALA 12 22.601 -19.973 1.014 0.031
-ATOM 24 CA ALA 13 26.479 -20.968 -0.410 0.025
-ATOM 25 CB ALA 13 26.898 -20.397 -0.088 0.008
-ATOM 26 CA CYS 14 28.456 -24.327 -0.392 0.011
-ATOM 27 CB CYS 14 28.567 -25.084 -1.315 0.082
-ATOM 28 CA ALA 15 30.090 -26.363 2.423 0.007
-ATOM 29 CB ALA 15 29.714 -26.824 2.914 0.118
-ATOM 30 CA ALA 16 31.985 -29.444 1.426 0.027
-ATOM 31 CB ALA 16 32.344 -29.547 2.092 0.154
-ATOM 32 CA ALA 17 30.578 -32.756 0.318 0.025
-ATOM 33 CB ALA 17 30.442 -32.515 -0.355 0.049
-ATOM 34 CA GLY 18 31.118 -36.525 0.025 0.000
+ATOM 1 CA GLY 1 13.568 -5.351 -10.260 0.003
+ATOM 2 CA ALA 2 15.925 -7.110 -7.831 0.003
+ATOM 3 CB ALA 2 16.548 -6.805 -7.687 0.053
+ATOM 4 CA ALA 3 14.289 -9.276 -5.152 0.004
+ATOM 5 CB ALA 3 14.026 -9.646 -5.708 0.030
+ATOM 6 CA ALA 4 15.078 -10.087 -1.442 0.042
+ATOM 7 CB ALA 4 14.757 -9.675 -0.897 0.011
+ATOM 8 CA CYS 5 16.508 -13.290 0.074 0.038
+ATOM 9 CB CYS 5 17.553 -13.773 -0.334 0.028
+ATOM 10 CA ALA 6 16.261 -14.496 3.595 0.023
+ATOM 11 CB ALA 6 16.324 -13.905 3.874 0.237
+ATOM 12 CA ALA 7 12.467 -14.748 3.639 0.009
+ATOM 13 CB ALA 7 12.271 -14.499 2.907 0.074
+ATOM 14 CA ALA 8 10.117 -17.256 5.319 0.063
+ATOM 15 CB ALA 8 9.859 -17.014 6.041 0.079
+ATOM 16 CA ALA 9 8.493 -19.450 2.677 0.021
+ATOM 17 CB ALA 9 8.434 -19.891 2.082 0.044
+ATOM 18 CA ALA 10 11.866 -20.182 1.210 0.033
+ATOM 19 CB ALA 10 12.045 -19.647 1.658 0.069
+ATOM 20 CA ALA 11 14.010 -23.303 1.087 0.004
+ATOM 21 CB ALA 11 13.565 -23.987 1.228 0.037
+ATOM 22 CA ALA 12 17.185 -23.657 -0.943 0.008
+ATOM 23 CB ALA 12 17.699 -23.672 -1.499 0.132
+ATOM 24 CA ALA 13 19.913 -21.431 0.574 0.025
+ATOM 25 CB ALA 13 20.643 -21.753 0.656 0.126
+ATOM 26 CA CYS 14 20.322 -17.767 -0.713 0.024
+ATOM 27 CB CYS 14 19.661 -16.835 -0.356 0.018
+ATOM 28 CA ALA 15 23.353 -15.641 -0.996 0.007
+ATOM 29 CB ALA 15 23.795 -15.354 -1.427 0.105
+ATOM 30 CA ALA 16 24.457 -13.089 1.571 0.019
+ATOM 31 CB ALA 16 24.778 -13.018 2.244 0.158
+ATOM 32 CA ALA 17 25.779 -9.586 1.144 0.003
+ATOM 33 CB ALA 17 25.482 -8.921 1.079 0.051
+ATOM 34 CA GLY 18 28.340 -7.482 3.050 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3915.60 ENERGY -1.07436E+01
+REMARK time 4150.83 ENERGY 7.36606E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 0.043 5.940 0.239 0.007
-ATOM 2 CA ALA 2 2.665 3.184 -0.027 0.015
-ATOM 3 CB ALA 2 2.957 3.468 0.577 0.097
-ATOM 4 CA ALA 3 1.270 -0.175 -1.072 0.030
-ATOM 5 CB ALA 3 1.019 -0.313 -1.774 0.022
-ATOM 6 CA ALA 4 3.202 -3.128 0.055 0.027
-ATOM 7 CB ALA 4 2.747 -3.473 0.519 0.036
-ATOM 8 CA CYS 5 5.898 -5.209 -1.584 0.021
-ATOM 9 CB CYS 5 6.517 -4.531 -2.417 0.032
-ATOM 10 CA ALA 6 6.994 -8.807 -0.980 0.009
-ATOM 11 CB ALA 6 6.475 -9.177 -1.263 0.034
-ATOM 12 CA ALA 7 10.448 -10.070 0.021 0.031
-ATOM 13 CB ALA 7 10.963 -9.998 0.613 0.100
-ATOM 14 CA ALA 8 12.527 -12.972 -1.090 0.007
-ATOM 15 CB ALA 8 12.913 -12.856 -1.705 0.040
-ATOM 16 CA ALA 9 14.980 -15.635 0.245 0.035
-ATOM 17 CB ALA 9 15.159 -16.263 0.247 0.103
-ATOM 18 CA ALA 10 18.785 -15.410 0.405 0.025
-ATOM 19 CB ALA 10 19.276 -14.920 0.710 0.068
-ATOM 20 CA ALA 11 21.418 -18.102 0.520 0.033
-ATOM 21 CB ALA 11 22.059 -18.247 0.079 0.074
-ATOM 22 CA ALA 12 24.386 -19.130 2.668 0.005
-ATOM 23 CB ALA 12 23.919 -19.109 3.248 0.051
-ATOM 24 CA ALA 13 27.396 -20.892 1.248 0.013
-ATOM 25 CB ALA 13 27.963 -20.643 1.588 0.013
-ATOM 26 CA CYS 14 27.995 -24.446 0.074 0.042
-ATOM 27 CB CYS 14 27.281 -24.931 -0.943 0.052
-ATOM 28 CA ALA 15 30.850 -26.780 0.393 0.031
-ATOM 29 CB ALA 15 31.131 -27.118 1.032 0.006
-ATOM 30 CA ALA 16 31.590 -30.257 -0.909 0.002
-ATOM 31 CB ALA 16 32.106 -30.382 -1.464 0.034
-ATOM 32 CA ALA 17 31.485 -33.198 1.557 0.036
-ATOM 33 CB ALA 17 30.798 -33.405 1.749 0.097
-ATOM 34 CA GLY 18 33.134 -36.212 0.070 0.000
+ATOM 1 CA GLY 1 17.032 -4.521 -7.945 0.011
+ATOM 2 CA ALA 2 16.519 -8.219 -7.389 0.005
+ATOM 3 CB ALA 2 17.294 -8.466 -7.311 0.038
+ATOM 4 CA ALA 3 14.057 -9.730 -5.068 0.003
+ATOM 5 CB ALA 3 13.440 -10.057 -5.400 0.015
+ATOM 6 CA ALA 4 14.893 -10.788 -1.538 0.007
+ATOM 7 CB ALA 4 14.495 -10.460 -0.980 0.072
+ATOM 8 CA CYS 5 15.894 -14.203 0.110 0.055
+ATOM 9 CB CYS 5 17.059 -14.153 -0.319 0.027
+ATOM 10 CA ALA 6 15.562 -12.788 3.687 0.068
+ATOM 11 CB ALA 6 15.525 -12.415 4.378 0.015
+ATOM 12 CA ALA 7 12.132 -14.363 4.454 0.022
+ATOM 13 CB ALA 7 11.957 -13.658 4.481 0.069
+ATOM 14 CA ALA 8 11.268 -18.018 4.293 0.040
+ATOM 15 CB ALA 8 11.302 -18.680 4.738 0.020
+ATOM 16 CA ALA 9 8.256 -19.981 3.010 0.007
+ATOM 17 CB ALA 9 7.627 -19.508 2.912 0.073
+ATOM 18 CA ALA 10 10.496 -21.699 0.384 0.029
+ATOM 19 CB ALA 10 10.711 -21.550 -0.227 0.191
+ATOM 20 CA ALA 11 13.736 -23.386 1.372 0.053
+ATOM 21 CB ALA 11 13.658 -23.906 1.679 0.076
+ATOM 22 CA ALA 12 17.261 -22.973 -0.009 0.031
+ATOM 23 CB ALA 12 16.798 -23.103 -0.543 0.024
+ATOM 24 CA ALA 13 19.628 -20.080 0.786 0.010
+ATOM 25 CB ALA 13 20.173 -20.458 1.031 0.020
+ATOM 26 CA CYS 14 20.702 -17.328 -1.491 0.013
+ATOM 27 CB CYS 14 19.818 -16.407 -1.193 0.076
+ATOM 28 CA ALA 15 23.964 -15.393 -1.103 0.031
+ATOM 29 CB ALA 15 24.282 -15.443 -1.730 0.063
+ATOM 30 CA ALA 16 24.715 -12.386 1.242 0.061
+ATOM 31 CB ALA 16 24.904 -12.573 1.968 0.094
+ATOM 32 CA ALA 17 26.116 -9.051 0.176 0.003
+ATOM 33 CB ALA 17 25.836 -8.469 -0.330 0.009
+ATOM 34 CA GLY 18 28.185 -7.611 3.095 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3943.35 ENERGY -2.00068E+00
+REMARK time 4179.96 ENERGY 5.26308E-01
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.290 6.231 0.618 0.004
-ATOM 2 CA ALA 2 1.677 3.198 -0.601 0.019
-ATOM 3 CB ALA 2 2.358 3.097 -0.242 0.075
-ATOM 4 CA ALA 3 1.122 -0.547 -0.521 0.012
-ATOM 5 CB ALA 3 0.538 -0.727 -0.814 0.073
-ATOM 6 CA ALA 4 3.606 -3.343 0.430 0.011
-ATOM 7 CB ALA 4 3.483 -3.750 1.032 0.056
-ATOM 8 CA CYS 5 5.778 -5.595 -1.820 0.015
-ATOM 9 CB CYS 5 6.452 -4.843 -2.517 0.030
-ATOM 10 CA ALA 6 7.930 -8.516 -0.836 0.017
-ATOM 11 CB ALA 6 7.678 -9.257 -1.023 0.055
-ATOM 12 CA ALA 7 11.468 -9.184 -2.163 0.012
-ATOM 13 CB ALA 7 11.801 -8.797 -1.711 0.053
-ATOM 14 CA ALA 8 13.815 -12.102 -2.037 0.018
-ATOM 15 CB ALA 8 14.315 -12.598 -2.335 0.006
-ATOM 16 CA ALA 9 15.871 -13.072 1.098 0.015
-ATOM 17 CB ALA 9 15.551 -13.165 1.681 0.040
-ATOM 18 CA ALA 10 19.295 -14.899 1.147 0.023
-ATOM 19 CB ALA 10 19.864 -14.566 1.307 0.153
-ATOM 20 CA ALA 11 19.548 -18.601 1.897 0.020
-ATOM 21 CB ALA 11 19.062 -18.743 1.279 0.020
-ATOM 22 CA ALA 12 22.935 -20.237 2.201 0.046
-ATOM 23 CB ALA 12 22.851 -20.635 2.878 0.135
-ATOM 24 CA ALA 13 24.716 -22.882 0.150 0.030
-ATOM 25 CB ALA 13 24.733 -22.952 -0.516 0.270
-ATOM 26 CA CYS 14 27.654 -24.916 1.255 0.036
-ATOM 27 CB CYS 14 27.277 -25.512 2.208 0.010
-ATOM 28 CA ALA 15 30.557 -26.641 -0.485 0.006
-ATOM 29 CB ALA 15 30.828 -26.317 0.104 0.026
-ATOM 30 CA ALA 16 31.558 -30.355 -0.859 0.013
-ATOM 31 CB ALA 16 32.007 -30.751 -1.472 0.047
-ATOM 32 CA ALA 17 33.769 -32.856 1.042 0.008
-ATOM 33 CB ALA 17 33.523 -33.386 1.449 0.063
-ATOM 34 CA GLY 18 35.000 -35.513 -1.404 0.000
+ATOM 1 CA GLY 1 17.549 -6.297 -11.024 0.017
+ATOM 2 CA ALA 2 18.656 -7.284 -7.546 0.052
+ATOM 3 CB ALA 2 19.270 -6.907 -7.350 0.085
+ATOM 4 CA ALA 3 16.415 -8.999 -4.910 0.038
+ATOM 5 CB ALA 3 15.982 -9.410 -5.335 0.021
+ATOM 6 CA ALA 4 16.011 -9.946 -1.213 0.013
+ATOM 7 CB ALA 4 15.798 -9.191 -1.096 0.092
+ATOM 8 CA CYS 5 15.022 -13.227 0.444 0.008
+ATOM 9 CB CYS 5 15.889 -14.041 0.118 0.039
+ATOM 10 CA ALA 6 14.002 -14.547 3.915 0.017
+ATOM 11 CB ALA 6 13.610 -14.004 4.133 0.090
+ATOM 12 CA ALA 7 10.963 -16.194 5.613 0.024
+ATOM 13 CB ALA 7 10.291 -15.870 5.613 0.008
+ATOM 14 CA ALA 8 10.821 -19.963 6.152 0.025
+ATOM 15 CB ALA 8 10.659 -20.046 6.899 0.025
+ATOM 16 CA ALA 9 8.766 -20.247 2.872 0.031
+ATOM 17 CB ALA 9 8.449 -19.595 2.545 0.126
+ATOM 18 CA ALA 10 11.953 -20.835 0.915 0.010
+ATOM 19 CB ALA 10 12.651 -20.541 0.907 0.077
+ATOM 20 CA ALA 11 14.203 -23.797 0.879 0.009
+ATOM 21 CB ALA 11 13.663 -24.428 0.846 0.184
+ATOM 22 CA ALA 12 16.096 -22.078 -1.832 0.019
+ATOM 23 CB ALA 12 15.531 -22.153 -2.246 0.046
+ATOM 24 CA ALA 13 19.388 -20.651 -0.554 0.012
+ATOM 25 CB ALA 13 20.063 -21.106 -0.482 0.084
+ATOM 26 CA CYS 14 20.005 -16.852 0.084 0.041
+ATOM 27 CB CYS 14 19.004 -16.284 0.475 0.031
+ATOM 28 CA ALA 15 23.207 -14.935 0.845 0.012
+ATOM 29 CB ALA 15 23.924 -15.175 0.534 0.087
+ATOM 30 CA ALA 16 24.175 -11.288 1.111 0.003
+ATOM 31 CB ALA 16 24.169 -10.957 1.815 0.160
+ATOM 32 CA ALA 17 25.869 -8.963 -1.321 0.012
+ATOM 33 CB ALA 17 25.494 -8.546 -1.817 0.007
+ATOM 34 CA GLY 18 29.315 -7.575 -0.635 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3965.56 ENERGY -6.46801E+00
+REMARK time 4209.91 ENERGY 1.85381E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.668 5.441 1.337 0.023
-ATOM 2 CA ALA 2 -0.478 2.917 -1.136 0.038
-ATOM 3 CB ALA 2 -0.091 3.307 -1.730 0.020
-ATOM 4 CA ALA 3 0.787 -0.633 -0.473 0.027
-ATOM 5 CB ALA 3 0.553 -1.267 -0.643 0.073
-ATOM 6 CA ALA 4 4.434 -1.601 -0.024 0.094
-ATOM 7 CB ALA 4 4.728 -1.519 0.626 0.014
-ATOM 8 CA CYS 5 5.930 -4.759 -1.607 0.006
-ATOM 9 CB CYS 5 6.275 -4.719 -2.872 0.021
-ATOM 10 CA ALA 6 8.676 -7.035 -0.390 0.002
-ATOM 11 CB ALA 6 8.577 -7.420 0.177 0.036
-ATOM 12 CA ALA 7 11.904 -8.673 -1.405 0.005
-ATOM 13 CB ALA 7 12.538 -8.398 -1.118 0.121
-ATOM 14 CA ALA 8 13.553 -12.067 -1.097 0.014
-ATOM 15 CB ALA 8 13.251 -12.339 -1.639 0.035
-ATOM 16 CA ALA 9 17.034 -12.945 0.049 0.044
-ATOM 17 CB ALA 9 17.151 -12.804 0.759 0.026
-ATOM 18 CA ALA 10 19.219 -16.102 -0.539 0.043
-ATOM 19 CB ALA 10 19.492 -15.537 -0.843 0.195
-ATOM 20 CA ALA 11 19.747 -19.191 1.622 0.002
-ATOM 21 CB ALA 11 19.546 -19.707 2.026 0.090
-ATOM 22 CA ALA 12 22.789 -20.949 3.183 0.025
-ATOM 23 CB ALA 12 23.392 -21.300 3.545 0.189
-ATOM 24 CA ALA 13 24.292 -23.562 0.798 0.026
-ATOM 25 CB ALA 13 24.411 -23.549 0.100 0.058
-ATOM 26 CA CYS 14 26.920 -26.152 1.994 0.005
-ATOM 27 CB CYS 14 26.546 -26.799 2.897 0.015
-ATOM 28 CA ALA 15 29.810 -27.322 -0.222 0.024
-ATOM 29 CB ALA 15 30.454 -27.041 -0.199 0.044
-ATOM 30 CA ALA 16 31.251 -30.754 -0.712 0.010
-ATOM 31 CB ALA 16 31.349 -30.873 -1.446 0.125
-ATOM 32 CA ALA 17 34.819 -31.790 -0.193 0.007
-ATOM 33 CB ALA 17 34.986 -31.878 0.474 0.056
-ATOM 34 CA GLY 18 37.250 -34.456 -1.414 0.000
+ATOM 1 CA GLY 1 21.195 -6.433 -7.721 0.135
+ATOM 2 CA ALA 2 20.310 -9.556 -5.843 0.013
+ATOM 3 CB ALA 2 20.338 -9.735 -5.098 0.073
+ATOM 4 CA ALA 3 16.948 -11.200 -5.075 0.012
+ATOM 5 CB ALA 3 16.964 -11.681 -5.741 0.066
+ATOM 6 CA ALA 4 15.288 -10.462 -1.805 0.028
+ATOM 7 CB ALA 4 14.912 -9.907 -1.376 0.037
+ATOM 8 CA CYS 5 14.487 -13.001 0.964 0.025
+ATOM 9 CB CYS 5 15.591 -13.453 1.366 0.047
+ATOM 10 CA ALA 6 12.691 -12.466 4.263 0.002
+ATOM 11 CB ALA 6 11.983 -12.386 3.969 0.080
+ATOM 12 CA ALA 7 11.811 -16.133 4.363 0.020
+ATOM 13 CB ALA 7 11.432 -16.659 4.080 0.104
+ATOM 14 CA ALA 8 13.608 -19.252 5.519 0.008
+ATOM 15 CB ALA 8 13.758 -19.205 6.266 0.076
+ATOM 16 CA ALA 9 10.596 -21.368 4.708 0.019
+ATOM 17 CB ALA 9 9.888 -21.683 4.508 0.114
+ATOM 18 CA ALA 10 11.041 -21.762 0.940 0.013
+ATOM 19 CB ALA 10 10.886 -21.343 0.288 0.005
+ATOM 20 CA ALA 11 13.221 -24.069 -1.097 0.027
+ATOM 21 CB ALA 11 12.795 -24.416 -1.567 0.215
+ATOM 22 CA ALA 12 15.447 -21.111 -2.231 0.023
+ATOM 23 CB ALA 12 15.396 -20.604 -2.766 0.048
+ATOM 24 CA ALA 13 17.853 -19.576 0.362 0.009
+ATOM 25 CB ALA 13 18.464 -19.904 0.498 0.016
+ATOM 26 CA CYS 14 19.278 -16.086 0.495 0.004
+ATOM 27 CB CYS 14 18.130 -15.604 0.618 0.014
+ATOM 28 CA ALA 15 22.704 -14.564 -0.434 0.024
+ATOM 29 CB ALA 15 23.139 -14.708 -1.106 0.104
+ATOM 30 CA ALA 16 24.211 -11.224 0.565 0.045
+ATOM 31 CB ALA 16 24.321 -11.303 1.248 0.014
+ATOM 32 CA ALA 17 26.103 -8.746 -1.794 0.047
+ATOM 33 CB ALA 17 25.642 -8.812 -2.395 0.049
+ATOM 34 CA GLY 18 27.272 -5.132 -1.088 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 3989.66 ENERGY 4.41230E+00
+REMARK time 4237.05 ENERGY -2.60724E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.334 4.548 -0.419 0.026
-ATOM 2 CA ALA 2 -0.578 2.317 -1.648 0.017
-ATOM 3 CB ALA 2 0.022 2.267 -1.984 0.031
-ATOM 4 CA ALA 3 1.209 -0.714 -0.493 0.013
-ATOM 5 CB ALA 3 1.284 -1.349 -0.936 0.040
-ATOM 6 CA ALA 4 4.936 -1.401 -0.080 0.044
-ATOM 7 CB ALA 4 5.188 -0.912 0.410 0.017
-ATOM 8 CA CYS 5 6.814 -4.630 -0.101 0.048
-ATOM 9 CB CYS 5 6.340 -5.298 -1.042 0.056
-ATOM 10 CA ALA 6 10.506 -5.253 -0.378 0.095
-ATOM 11 CB ALA 6 10.387 -5.837 -0.091 0.537
-ATOM 12 CA ALA 7 11.886 -8.587 -1.784 0.039
-ATOM 13 CB ALA 7 12.454 -8.584 -2.153 0.036
-ATOM 14 CA ALA 8 12.886 -12.089 -0.605 0.104
-ATOM 15 CB ALA 8 12.815 -12.387 -1.265 0.019
-ATOM 16 CA ALA 9 16.070 -13.480 1.065 0.011
-ATOM 17 CB ALA 9 16.118 -13.211 1.772 0.032
-ATOM 18 CA ALA 10 18.771 -15.931 -0.201 0.017
-ATOM 19 CB ALA 10 19.374 -16.053 -0.491 0.001
-ATOM 20 CA ALA 11 19.874 -19.014 1.712 0.013
-ATOM 21 CB ALA 11 19.490 -19.505 2.073 0.033
-ATOM 22 CA ALA 12 23.119 -20.913 1.564 0.019
-ATOM 23 CB ALA 12 23.507 -20.775 2.223 0.008
-ATOM 24 CA ALA 13 23.649 -24.293 -0.136 0.018
-ATOM 25 CB ALA 13 23.725 -24.476 -0.840 0.005
-ATOM 26 CA CYS 14 26.459 -26.422 1.378 0.003
-ATOM 27 CB CYS 14 25.573 -27.005 2.166 0.016
-ATOM 28 CA ALA 15 29.884 -27.507 0.116 0.011
-ATOM 29 CB ALA 15 30.381 -26.977 -0.069 0.053
-ATOM 30 CA ALA 16 31.919 -30.719 0.503 0.008
-ATOM 31 CB ALA 16 31.375 -31.246 0.671 0.086
-ATOM 32 CA ALA 17 35.495 -30.802 -0.677 0.011
-ATOM 33 CB ALA 17 35.789 -30.296 -0.248 0.003
-ATOM 34 CA GLY 18 36.508 -34.463 -1.151 0.000
+ATOM 1 CA GLY 1 20.104 -8.941 -9.435 0.019
+ATOM 2 CA ALA 2 18.089 -10.780 -6.744 0.028
+ATOM 3 CB ALA 2 18.560 -11.347 -6.571 0.073
+ATOM 4 CA ALA 3 17.112 -8.600 -3.779 0.008
+ATOM 5 CB ALA 3 16.482 -8.344 -3.754 0.117
+ATOM 6 CA ALA 4 17.505 -9.368 -0.090 0.057
+ATOM 7 CB ALA 4 17.987 -8.883 0.257 0.103
+ATOM 8 CA CYS 5 15.183 -12.251 1.089 0.017
+ATOM 9 CB CYS 5 15.356 -13.395 0.845 0.029
+ATOM 10 CA ALA 6 12.617 -12.373 3.863 0.006
+ATOM 11 CB ALA 6 12.068 -11.729 3.976 0.028
+ATOM 12 CA ALA 7 11.247 -15.670 2.484 0.027
+ATOM 13 CB ALA 7 11.037 -16.124 1.884 0.121
+ATOM 14 CA ALA 8 14.349 -17.607 3.678 0.034
+ATOM 15 CB ALA 8 14.762 -17.504 4.385 0.045
+ATOM 16 CA ALA 9 12.239 -20.590 4.929 0.016
+ATOM 17 CB ALA 9 11.629 -20.444 5.197 0.054
+ATOM 18 CA ALA 10 11.766 -21.856 1.328 0.048
+ATOM 19 CB ALA 10 11.651 -21.309 1.004 0.122
+ATOM 20 CA ALA 11 13.369 -24.899 -0.297 0.004
+ATOM 21 CB ALA 11 12.915 -24.973 -0.903 0.010
+ATOM 22 CA ALA 12 15.841 -22.770 -2.278 0.018
+ATOM 23 CB ALA 12 15.792 -22.328 -2.850 0.048
+ATOM 24 CA ALA 13 18.117 -20.479 -0.334 0.050
+ATOM 25 CB ALA 13 18.579 -20.941 0.032 0.062
+ATOM 26 CA CYS 14 18.683 -16.686 -0.693 0.053
+ATOM 27 CB CYS 14 17.739 -16.088 -0.050 0.109
+ATOM 28 CA ALA 15 22.032 -15.130 0.172 0.015
+ATOM 29 CB ALA 15 22.549 -15.593 -0.166 0.016
+ATOM 30 CA ALA 16 22.909 -11.438 0.963 0.026
+ATOM 31 CB ALA 16 22.594 -11.532 1.507 0.004
+ATOM 32 CA ALA 17 25.090 -8.602 -0.294 0.010
+ATOM 33 CB ALA 17 24.671 -8.429 -0.819 0.072
+ATOM 34 CA GLY 18 27.671 -5.959 0.617 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 4012.18 ENERGY -1.57049E+01
+REMARK time 4263.92 ENERGY -2.21292E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -3.334 4.684 -1.672 0.029
-ATOM 2 CA ALA 2 -1.339 1.433 -1.237 0.077
-ATOM 3 CB ALA 2 -1.700 0.782 -1.466 0.152
-ATOM 4 CA ALA 3 2.271 1.101 -0.041 0.055
-ATOM 5 CB ALA 3 2.283 0.815 0.649 0.118
-ATOM 6 CA ALA 4 5.136 -1.080 -1.293 0.046
-ATOM 7 CB ALA 4 5.587 -0.549 -1.100 0.016
-ATOM 8 CA CYS 5 6.074 -4.728 -1.006 0.014
-ATOM 9 CB CYS 5 5.830 -4.653 -2.200 0.042
-ATOM 10 CA ALA 6 8.805 -7.004 0.436 0.020
-ATOM 11 CB ALA 6 8.593 -7.394 0.980 0.067
-ATOM 12 CA ALA 7 12.497 -7.854 -0.550 0.004
-ATOM 13 CB ALA 7 12.714 -7.368 -0.004 0.065
-ATOM 14 CA ALA 8 13.684 -11.425 0.351 0.020
-ATOM 15 CB ALA 8 13.233 -12.026 0.291 0.049
-ATOM 16 CA ALA 9 17.100 -13.084 0.085 0.020
-ATOM 17 CB ALA 9 17.744 -12.822 0.478 0.012
-ATOM 18 CA ALA 10 18.242 -16.722 -0.341 0.021
-ATOM 19 CB ALA 10 18.143 -16.990 -1.048 0.122
-ATOM 20 CA ALA 11 20.347 -18.917 2.012 0.022
-ATOM 21 CB ALA 11 19.948 -19.507 2.185 0.023
-ATOM 22 CA ALA 12 23.494 -21.063 1.731 0.019
-ATOM 23 CB ALA 12 23.607 -20.936 2.417 0.103
-ATOM 24 CA ALA 13 23.577 -24.637 0.391 0.004
-ATOM 25 CB ALA 13 23.432 -24.780 -0.299 0.018
-ATOM 26 CA CYS 14 26.607 -26.855 1.079 0.013
-ATOM 27 CB CYS 14 26.445 -27.325 2.143 0.004
-ATOM 28 CA ALA 15 29.356 -27.908 -1.431 0.006
-ATOM 29 CB ALA 15 29.557 -27.326 -1.795 0.038
-ATOM 30 CA ALA 16 31.764 -30.831 -1.083 0.076
-ATOM 31 CB ALA 16 31.603 -31.189 -1.715 0.010
-ATOM 32 CA ALA 17 34.938 -30.954 1.025 0.016
-ATOM 33 CB ALA 17 34.988 -30.949 1.755 0.031
-ATOM 34 CA GLY 18 38.041 -33.111 0.412 0.000
+ATOM 1 CA GLY 1 19.292 -5.441 -10.447 0.042
+ATOM 2 CA ALA 2 18.854 -7.946 -7.798 0.007
+ATOM 3 CB ALA 2 19.474 -8.174 -7.439 0.208
+ATOM 4 CA ALA 3 16.121 -8.979 -5.401 0.004
+ATOM 5 CB ALA 3 15.528 -9.312 -5.824 0.292
+ATOM 6 CA ALA 4 16.522 -9.943 -1.736 0.018
+ATOM 7 CB ALA 4 16.327 -9.348 -1.434 0.030
+ATOM 8 CA CYS 5 15.364 -13.152 -0.043 0.126
+ATOM 9 CB CYS 5 16.176 -14.024 -0.123 0.025
+ATOM 10 CA ALA 6 15.275 -13.282 3.775 0.012
+ATOM 11 CB ALA 6 15.302 -12.539 3.904 0.038
+ATOM 12 CA ALA 7 11.951 -15.259 3.612 0.029
+ATOM 13 CB ALA 7 12.313 -15.326 2.911 0.034
+ATOM 14 CA ALA 8 13.723 -18.492 4.328 0.098
+ATOM 15 CB ALA 8 13.941 -18.255 4.963 0.023
+ATOM 16 CA ALA 9 10.531 -20.272 5.175 0.021
+ATOM 17 CB ALA 9 9.893 -20.071 4.870 0.005
+ATOM 18 CA ALA 10 10.787 -22.379 1.991 0.007
+ATOM 19 CB ALA 10 11.086 -22.320 1.278 0.007
+ATOM 20 CA ALA 11 13.535 -25.068 1.600 0.012
+ATOM 21 CB ALA 11 13.253 -25.589 1.341 0.032
+ATOM 22 CA ALA 12 15.751 -22.794 -0.489 0.065
+ATOM 23 CB ALA 12 15.520 -22.801 -1.234 0.057
+ATOM 24 CA ALA 13 17.990 -19.708 0.001 0.049
+ATOM 25 CB ALA 13 18.722 -19.624 0.320 0.030
+ATOM 26 CA CYS 14 19.304 -16.874 -2.228 0.008
+ATOM 27 CB CYS 14 18.672 -15.815 -1.829 0.034
+ATOM 28 CA ALA 15 22.286 -14.892 -1.005 0.028
+ATOM 29 CB ALA 15 22.782 -15.184 -1.482 0.072
+ATOM 30 CA ALA 16 22.609 -11.835 1.281 0.014
+ATOM 31 CB ALA 16 22.747 -11.922 2.052 0.024
+ATOM 32 CA ALA 17 24.879 -8.866 1.002 0.018
+ATOM 33 CB ALA 17 25.057 -8.194 0.791 0.102
+ATOM 34 CA GLY 18 25.847 -8.740 4.660 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 4037.94 ENERGY -5.00783E+00
+REMARK time 4289.43 ENERGY -3.38784E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.373 4.627 -1.234 0.009
-ATOM 2 CA ALA 2 -0.208 1.623 -2.290 0.018
-ATOM 3 CB ALA 2 0.378 1.695 -2.804 0.110
-ATOM 4 CA ALA 3 1.995 -0.662 -0.159 0.052
-ATOM 5 CB ALA 3 1.395 -1.068 0.116 0.167
-ATOM 6 CA ALA 4 5.694 -1.040 -0.977 0.028
-ATOM 7 CB ALA 4 6.331 -0.645 -0.691 0.065
-ATOM 8 CA CYS 5 6.748 -4.693 -0.172 0.006
-ATOM 9 CB CYS 5 6.296 -5.363 0.710 0.120
-ATOM 10 CA ALA 6 10.003 -6.579 -0.804 0.046
-ATOM 11 CB ALA 6 10.539 -6.478 -0.334 0.074
-ATOM 12 CA ALA 7 10.626 -10.342 -1.360 0.006
-ATOM 13 CB ALA 7 11.234 -10.343 -1.883 0.138
-ATOM 14 CA ALA 8 12.840 -12.069 1.153 0.035
-ATOM 15 CB ALA 8 12.566 -12.782 1.257 0.016
-ATOM 16 CA ALA 9 16.559 -12.915 1.570 0.020
-ATOM 17 CB ALA 9 16.958 -12.514 2.087 0.057
-ATOM 18 CA ALA 10 18.367 -15.870 -0.084 0.036
-ATOM 19 CB ALA 10 18.273 -15.481 -0.697 0.044
-ATOM 20 CA ALA 11 20.464 -18.566 1.581 0.002
-ATOM 21 CB ALA 11 19.780 -18.644 2.073 0.136
-ATOM 22 CA ALA 12 23.337 -20.229 -0.319 0.032
-ATOM 23 CB ALA 12 23.844 -19.785 -0.192 0.164
-ATOM 24 CA ALA 13 24.208 -23.842 -0.968 0.042
-ATOM 25 CB ALA 13 24.179 -23.752 -1.726 0.026
-ATOM 26 CA CYS 14 25.869 -26.601 1.041 0.017
-ATOM 27 CB CYS 14 25.483 -27.294 2.014 0.011
-ATOM 28 CA ALA 15 29.198 -27.481 -0.562 0.062
-ATOM 29 CB ALA 15 29.699 -27.016 -0.830 0.085
-ATOM 30 CA ALA 16 31.482 -30.531 -0.163 0.034
-ATOM 31 CB ALA 16 30.957 -30.986 -0.374 0.021
-ATOM 32 CA ALA 17 35.202 -30.591 0.860 0.008
-ATOM 33 CB ALA 17 35.122 -30.132 1.469 0.039
-ATOM 34 CA GLY 18 36.913 -33.916 0.553 0.000
+ATOM 1 CA GLY 1 17.149 -4.347 -11.051 0.013
+ATOM 2 CA ALA 2 18.583 -6.190 -8.016 0.058
+ATOM 3 CB ALA 2 18.889 -5.701 -7.494 0.028
+ATOM 4 CA ALA 3 16.795 -9.137 -6.532 0.014
+ATOM 5 CB ALA 3 16.623 -9.855 -6.609 0.151
+ATOM 6 CA ALA 4 15.859 -10.132 -3.018 0.031
+ATOM 7 CB ALA 4 15.661 -9.397 -2.737 0.107
+ATOM 8 CA CYS 5 15.049 -13.459 -1.246 0.043
+ATOM 9 CB CYS 5 15.757 -14.360 -0.827 0.016
+ATOM 10 CA ALA 6 13.633 -12.288 2.141 0.042
+ATOM 11 CB ALA 6 12.974 -11.987 1.960 0.083
+ATOM 12 CA ALA 7 11.614 -14.965 3.921 0.114
+ATOM 13 CB ALA 7 11.166 -15.389 3.505 0.107
+ATOM 14 CA ALA 8 13.472 -17.583 5.962 0.008
+ATOM 15 CB ALA 8 13.647 -18.005 6.542 0.022
+ATOM 16 CA ALA 9 12.190 -21.139 6.260 0.046
+ATOM 17 CB ALA 9 11.582 -21.211 6.715 0.047
+ATOM 18 CA ALA 10 11.543 -21.783 2.517 0.002
+ATOM 19 CB ALA 10 11.146 -21.184 2.231 0.176
+ATOM 20 CA ALA 11 13.153 -24.766 0.761 0.011
+ATOM 21 CB ALA 11 12.565 -24.990 0.337 0.055
+ATOM 22 CA ALA 12 15.245 -22.639 -1.645 0.018
+ATOM 23 CB ALA 12 14.916 -22.447 -2.227 0.089
+ATOM 24 CA ALA 13 18.186 -20.582 -0.462 0.022
+ATOM 25 CB ALA 13 18.785 -20.906 -0.070 0.003
+ATOM 26 CA CYS 14 19.707 -17.287 -1.576 0.009
+ATOM 27 CB CYS 14 19.024 -16.370 -0.954 0.025
+ATOM 28 CA ALA 15 22.706 -15.260 -0.476 0.020
+ATOM 29 CB ALA 15 23.293 -15.162 -0.880 0.050
+ATOM 30 CA ALA 16 23.158 -12.498 2.067 0.013
+ATOM 31 CB ALA 16 23.063 -12.890 2.645 0.161
+ATOM 32 CA ALA 17 26.088 -10.086 2.552 0.019
+ATOM 33 CB ALA 17 25.525 -9.767 2.026 0.023
+ATOM 34 CA GLY 18 27.950 -8.104 5.286 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 4062.61 ENERGY -1.11464E+01
+REMARK time 4316.19 ENERGY -7.06104E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.536 6.181 -0.484 0.015
-ATOM 2 CA ALA 2 -0.870 2.942 -2.244 0.032
-ATOM 3 CB ALA 2 -0.709 3.079 -2.974 0.017
-ATOM 4 CA ALA 3 1.907 0.958 -0.536 0.033
-ATOM 5 CB ALA 3 1.796 0.712 0.131 0.158
-ATOM 6 CA ALA 4 4.508 -1.672 -1.478 0.035
-ATOM 7 CB ALA 4 5.007 -1.416 -2.017 0.112
-ATOM 8 CA CYS 5 5.851 -4.956 0.002 0.012
-ATOM 9 CB CYS 5 5.264 -6.114 -0.221 0.029
-ATOM 10 CA ALA 6 9.281 -6.565 0.061 0.041
-ATOM 11 CB ALA 6 9.674 -6.220 0.573 0.047
-ATOM 12 CA ALA 7 10.551 -10.126 -0.099 0.056
-ATOM 13 CB ALA 7 10.844 -10.282 -0.751 0.091
-ATOM 14 CA ALA 8 13.057 -12.262 1.747 0.025
-ATOM 15 CB ALA 8 12.320 -12.320 1.984 0.006
-ATOM 16 CA ALA 9 16.645 -13.102 0.909 0.006
-ATOM 17 CB ALA 9 17.106 -12.956 1.413 0.029
-ATOM 18 CA ALA 10 17.780 -16.696 0.308 0.015
-ATOM 19 CB ALA 10 17.631 -16.793 -0.457 0.062
-ATOM 20 CA ALA 11 20.867 -18.731 1.241 0.008
-ATOM 21 CB ALA 11 20.278 -18.754 1.757 0.196
-ATOM 22 CA ALA 12 23.594 -20.351 -0.911 0.024
-ATOM 23 CB ALA 12 24.151 -20.046 -0.999 0.024
-ATOM 24 CA ALA 13 25.060 -23.706 -1.783 0.014
-ATOM 25 CB ALA 13 24.986 -23.711 -2.513 0.023
-ATOM 26 CA CYS 14 27.169 -25.427 0.773 0.104
-ATOM 27 CB CYS 14 26.793 -26.515 1.334 0.026
-ATOM 28 CA ALA 15 30.022 -27.544 -0.363 0.038
-ATOM 29 CB ALA 15 30.455 -27.063 -0.697 0.037
-ATOM 30 CA ALA 16 31.747 -30.699 0.897 0.028
-ATOM 31 CB ALA 16 31.548 -31.423 0.988 0.007
-ATOM 32 CA ALA 17 35.310 -31.961 0.473 0.014
-ATOM 33 CB ALA 17 35.622 -31.458 0.930 0.060
-ATOM 34 CA GLY 18 35.927 -35.541 1.775 0.000
+ATOM 1 CA GLY 1 16.634 -5.443 -11.408 0.067
+ATOM 2 CA ALA 2 17.866 -8.098 -9.021 0.032
+ATOM 3 CB ALA 2 18.556 -7.956 -8.950 0.088
+ATOM 4 CA ALA 3 15.954 -9.274 -5.849 0.030
+ATOM 5 CB ALA 3 15.578 -9.961 -5.880 0.071
+ATOM 6 CA ALA 4 16.680 -9.167 -2.052 0.010
+ATOM 7 CB ALA 4 16.910 -8.587 -1.653 0.083
+ATOM 8 CA CYS 5 15.571 -12.022 0.230 0.032
+ATOM 9 CB CYS 5 15.695 -13.260 0.031 0.040
+ATOM 10 CA ALA 6 12.937 -11.804 2.906 0.064
+ATOM 11 CB ALA 6 12.259 -11.496 2.831 0.111
+ATOM 12 CA ALA 7 11.908 -15.396 2.579 0.040
+ATOM 13 CB ALA 7 11.667 -15.878 1.980 0.063
+ATOM 14 CA ALA 8 14.308 -17.835 4.260 0.008
+ATOM 15 CB ALA 8 14.935 -18.125 4.475 0.168
+ATOM 16 CA ALA 9 11.517 -20.122 5.381 0.042
+ATOM 17 CB ALA 9 10.752 -20.213 5.271 0.142
+ATOM 18 CA ALA 10 11.555 -22.124 2.226 0.032
+ATOM 19 CB ALA 10 11.266 -21.633 1.859 0.105
+ATOM 20 CA ALA 11 13.345 -24.902 0.306 0.021
+ATOM 21 CB ALA 11 13.072 -25.263 -0.224 0.039
+ATOM 22 CA ALA 12 15.821 -22.718 -1.614 0.031
+ATOM 23 CB ALA 12 15.618 -22.486 -2.297 0.058
+ATOM 24 CA ALA 13 18.773 -20.761 -0.240 0.034
+ATOM 25 CB ALA 13 19.365 -21.121 -0.219 0.091
+ATOM 26 CA CYS 14 19.036 -16.949 -0.297 0.011
+ATOM 27 CB CYS 14 18.052 -16.226 0.132 0.018
+ATOM 28 CA ALA 15 21.965 -14.529 -0.262 0.004
+ATOM 29 CB ALA 15 21.447 -14.412 -0.805 0.025
+ATOM 30 CA ALA 16 24.037 -13.099 2.570 0.021
+ATOM 31 CB ALA 16 24.584 -13.597 2.537 0.147
+ATOM 32 CA ALA 17 25.618 -9.722 3.191 0.004
+ATOM 33 CB ALA 17 25.058 -9.776 3.741 0.017
+ATOM 34 CA GLY 18 29.319 -9.346 3.659 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 4087.33 ENERGY -3.61011E+00
+REMARK time 4340.35 ENERGY -3.95762E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -0.190 6.434 -0.911 0.059
-ATOM 2 CA ALA 2 -0.158 2.720 -1.809 0.056
-ATOM 3 CB ALA 2 -0.402 2.694 -2.522 0.017
-ATOM 4 CA ALA 3 2.233 0.496 0.274 0.044
-ATOM 5 CB ALA 3 1.672 0.320 0.872 0.064
-ATOM 6 CA ALA 4 4.742 -1.774 -1.369 0.011
-ATOM 7 CB ALA 4 5.362 -1.374 -1.525 0.015
-ATOM 8 CA CYS 5 5.758 -5.281 -0.366 0.101
-ATOM 9 CB CYS 5 4.969 -5.924 -1.142 0.025
-ATOM 10 CA ALA 6 8.506 -7.467 1.134 0.041
-ATOM 11 CB ALA 6 8.453 -7.554 1.868 0.055
-ATOM 12 CA ALA 7 11.012 -9.652 -0.702 0.023
-ATOM 13 CB ALA 7 11.308 -9.258 -1.309 0.023
-ATOM 14 CA ALA 8 13.087 -12.247 1.132 0.034
-ATOM 15 CB ALA 8 12.673 -12.510 1.690 0.028
-ATOM 16 CA ALA 9 16.630 -13.636 0.342 0.021
-ATOM 17 CB ALA 9 16.720 -13.383 1.043 0.034
-ATOM 18 CA ALA 10 17.135 -17.337 -0.505 0.009
-ATOM 19 CB ALA 10 17.127 -17.325 -1.267 0.033
-ATOM 20 CA ALA 11 20.112 -19.242 0.677 0.023
-ATOM 21 CB ALA 11 20.040 -19.568 1.295 0.046
-ATOM 22 CA ALA 12 23.196 -20.615 -0.998 0.003
-ATOM 23 CB ALA 12 23.808 -20.364 -1.153 0.115
-ATOM 24 CA ALA 13 25.126 -23.171 1.005 0.013
-ATOM 25 CB ALA 13 24.855 -23.829 0.912 0.046
-ATOM 26 CA CYS 14 28.607 -24.365 -0.187 0.012
-ATOM 27 CB CYS 14 29.142 -23.781 0.739 0.005
-ATOM 28 CA ALA 15 30.351 -27.444 -1.552 0.017
-ATOM 29 CB ALA 15 30.584 -27.629 -2.265 0.052
-ATOM 30 CA ALA 16 31.387 -29.742 1.347 0.001
-ATOM 31 CB ALA 16 30.700 -29.651 1.621 0.044
-ATOM 32 CA ALA 17 33.982 -32.628 1.265 0.049
-ATOM 33 CB ALA 17 34.563 -32.316 1.222 0.125
-ATOM 34 CA GLY 18 34.660 -36.409 1.431 0.000
+ATOM 1 CA GLY 1 19.444 -6.275 -9.973 0.019
+ATOM 2 CA ALA 2 17.544 -9.197 -8.641 0.004
+ATOM 3 CB ALA 2 17.749 -9.905 -8.443 0.046
+ATOM 4 CA ALA 3 15.260 -9.185 -5.684 0.020
+ATOM 5 CB ALA 3 14.624 -9.128 -5.305 0.017
+ATOM 6 CA ALA 4 16.774 -10.289 -2.370 0.015
+ATOM 7 CB ALA 4 17.190 -9.745 -2.305 0.029
+ATOM 8 CA CYS 5 15.230 -12.522 0.323 0.009
+ATOM 9 CB CYS 5 15.541 -13.655 0.101 0.008
+ATOM 10 CA ALA 6 14.354 -11.708 3.957 0.060
+ATOM 11 CB ALA 6 14.135 -10.989 3.817 0.029
+ATOM 12 CA ALA 7 11.953 -14.601 4.159 0.029
+ATOM 13 CB ALA 7 11.297 -14.661 3.673 0.043
+ATOM 14 CA ALA 8 13.012 -18.081 5.451 0.047
+ATOM 15 CB ALA 8 12.729 -18.289 6.034 0.022
+ATOM 16 CA ALA 9 10.632 -20.966 4.617 0.015
+ATOM 17 CB ALA 9 10.010 -20.576 4.859 0.044
+ATOM 18 CA ALA 10 12.246 -21.624 1.261 0.016
+ATOM 19 CB ALA 10 12.109 -20.952 1.148 0.080
+ATOM 20 CA ALA 11 14.158 -24.707 0.297 0.090
+ATOM 21 CB ALA 11 13.589 -24.978 -0.174 0.017
+ATOM 22 CA ALA 12 15.860 -22.567 -2.419 0.001
+ATOM 23 CB ALA 12 15.465 -22.286 -2.871 0.093
+ATOM 24 CA ALA 13 18.684 -20.482 -0.938 0.021
+ATOM 25 CB ALA 13 19.331 -20.651 -0.635 0.024
+ATOM 26 CA CYS 14 19.323 -16.771 -1.110 0.006
+ATOM 27 CB CYS 14 18.267 -16.227 -1.058 0.075
+ATOM 28 CA ALA 15 22.453 -14.663 -0.453 0.023
+ATOM 29 CB ALA 15 22.882 -14.601 -0.948 0.076
+ATOM 30 CA ALA 16 23.146 -12.296 2.409 0.016
+ATOM 31 CB ALA 16 23.240 -12.465 3.137 0.024
+ATOM 32 CA ALA 17 26.068 -9.911 2.044 0.021
+ATOM 33 CB ALA 17 25.946 -9.415 1.462 0.116
+ATOM 34 CA GLY 18 27.251 -8.055 5.176 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 4107.84 ENERGY -6.23790E+00
+REMARK time 4364.31 ENERGY -4.17470E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -1.019 6.254 -1.557 0.029
-ATOM 2 CA ALA 2 0.260 2.736 -2.107 0.020
-ATOM 3 CB ALA 2 0.782 3.189 -2.408 0.039
-ATOM 4 CA ALA 3 1.812 0.158 0.355 0.020
-ATOM 5 CB ALA 3 1.320 -0.467 0.408 0.119
-ATOM 6 CA ALA 4 5.460 -1.021 0.603 0.035
-ATOM 7 CB ALA 4 5.990 -0.747 1.061 0.087
-ATOM 8 CA CYS 5 5.806 -4.756 -0.288 0.020
-ATOM 9 CB CYS 5 4.813 -5.329 -0.790 0.022
-ATOM 10 CA ALA 6 8.905 -6.889 -0.103 0.012
-ATOM 11 CB ALA 6 9.323 -6.573 0.563 0.068
-ATOM 12 CA ALA 7 9.817 -10.396 -1.293 0.018
-ATOM 13 CB ALA 7 9.815 -10.175 -2.060 0.035
-ATOM 14 CA ALA 8 12.139 -12.679 0.731 0.088
-ATOM 15 CB ALA 8 12.196 -13.284 1.206 0.059
-ATOM 16 CA ALA 9 15.592 -14.321 0.122 0.014
-ATOM 17 CB ALA 9 16.112 -14.144 0.555 0.039
-ATOM 18 CA ALA 10 17.152 -17.773 -0.299 0.016
-ATOM 19 CB ALA 10 17.356 -17.956 -0.928 0.109
-ATOM 20 CA ALA 11 20.349 -19.097 1.020 0.016
-ATOM 21 CB ALA 11 19.987 -19.812 1.263 0.050
-ATOM 22 CA ALA 12 23.820 -19.972 -0.339 0.046
-ATOM 23 CB ALA 12 24.359 -19.530 -0.117 0.052
-ATOM 24 CA ALA 13 25.383 -23.446 -0.398 0.009
-ATOM 25 CB ALA 13 24.965 -24.102 -0.523 0.062
-ATOM 26 CA CYS 14 29.118 -23.931 -0.143 0.045
-ATOM 27 CB CYS 14 29.658 -23.109 0.614 0.025
-ATOM 28 CA ALA 15 30.494 -27.375 -0.944 0.037
-ATOM 29 CB ALA 15 30.856 -27.654 -1.461 0.015
-ATOM 30 CA ALA 16 32.058 -29.955 1.390 0.016
-ATOM 31 CB ALA 16 31.865 -29.823 2.123 0.025
-ATOM 32 CA ALA 17 34.053 -33.047 0.668 0.030
-ATOM 33 CB ALA 17 34.786 -33.141 0.724 0.104
-ATOM 34 CA GLY 18 32.499 -35.927 2.619 0.000
+ATOM 1 CA GLY 1 18.390 -9.372 -10.850 0.001
+ATOM 2 CA ALA 2 19.188 -9.472 -7.114 0.011
+ATOM 3 CB ALA 2 19.817 -9.094 -7.026 0.027
+ATOM 4 CA ALA 3 16.180 -10.489 -5.054 0.018
+ATOM 5 CB ALA 3 15.795 -11.042 -4.789 0.035
+ATOM 6 CA ALA 4 15.819 -9.982 -1.316 0.018
+ATOM 7 CB ALA 4 15.564 -9.265 -1.376 0.152
+ATOM 8 CA CYS 5 15.785 -12.860 1.111 0.042
+ATOM 9 CB CYS 5 16.501 -13.880 0.833 0.047
+ATOM 10 CA ALA 6 15.152 -12.448 4.836 0.017
+ATOM 11 CB ALA 6 14.888 -11.817 5.167 0.015
+ATOM 12 CA ALA 7 12.371 -15.065 4.591 0.021
+ATOM 13 CB ALA 7 11.771 -15.064 3.985 0.017
+ATOM 14 CA ALA 8 13.245 -18.709 4.369 0.015
+ATOM 15 CB ALA 8 13.898 -18.879 4.619 0.038
+ATOM 16 CA ALA 9 10.479 -21.331 4.438 0.013
+ATOM 17 CB ALA 9 10.063 -20.751 4.512 0.041
+ATOM 18 CA ALA 10 10.542 -21.428 0.606 0.029
+ATOM 19 CB ALA 10 10.797 -20.982 0.125 0.085
+ATOM 20 CA ALA 11 12.748 -24.142 -1.107 0.007
+ATOM 21 CB ALA 11 12.337 -24.728 -1.448 0.163
+ATOM 22 CA ALA 12 15.362 -21.556 -2.177 0.009
+ATOM 23 CB ALA 12 15.052 -21.152 -2.750 0.068
+ATOM 24 CA ALA 13 18.189 -19.659 -0.388 0.015
+ATOM 25 CB ALA 13 18.903 -19.812 -0.179 0.093
+ATOM 26 CA CYS 14 19.840 -16.263 -1.108 0.075
+ATOM 27 CB CYS 14 18.709 -15.794 -1.162 0.061
+ATOM 28 CA ALA 15 22.955 -14.463 0.052 0.066
+ATOM 29 CB ALA 15 23.504 -13.986 -0.312 0.125
+ATOM 30 CA ALA 16 23.283 -11.868 2.769 0.032
+ATOM 31 CB ALA 16 23.526 -12.217 3.441 0.050
+ATOM 32 CA ALA 17 25.638 -9.119 1.648 0.020
+ATOM 33 CB ALA 17 26.036 -9.809 1.514 0.056
+ATOM 34 CA GLY 18 24.575 -6.205 -0.536 0.000
TER
CONECT 1 2
CONECT 2 4 3
CONECT 32 34 33
CONECT 9 27
ENDMDL
-REMARK time 4125.12 ENERGY -1.41339E+00
+REMARK time 4389.65 ENERGY 7.39026E+00
SSBOND 1 CYS 4 CYS 13
-ATOM 1 CA GLY 1 -2.300 5.122 -0.933 0.062
-ATOM 2 CA ALA 2 0.238 2.463 -1.868 0.013
-ATOM 3 CB ALA 2 0.453 2.443 -2.583 0.045
-ATOM 4 CA ALA 3 2.685 1.071 0.642 0.009
-ATOM 5 CB ALA 3 2.211 0.880 1.192 0.084
-ATOM 6 CA ALA 4 5.799 -0.844 -0.155 0.063
-ATOM 7 CB ALA 4 6.484 -0.799 -0.306 0.032
-ATOM 8 CA CYS 5 6.259 -4.649 -0.218 0.005
-ATOM 9 CB CYS 5 5.926 -4.940 -1.454 0.023
-ATOM 10 CA ALA 6 8.599 -7.393 0.965 0.003
-ATOM 11 CB ALA 6 8.652 -7.528 1.713 0.041
-ATOM 12 CA ALA 7 9.558 -10.421 -1.069 0.014
-ATOM 13 CB ALA 7 9.973 -10.054 -1.605 0.011
-ATOM 14 CA ALA 8 11.419 -13.540 0.326 0.027
-ATOM 15 CB ALA 8 11.175 -14.199 0.595 0.035
-ATOM 16 CA ALA 9 15.099 -14.563 -0.445 0.021
-ATOM 17 CB ALA 9 15.630 -14.089 -0.291 0.036
-ATOM 18 CA ALA 10 17.617 -17.334 0.448 0.023
-ATOM 19 CB ALA 10 17.368 -17.984 0.206 0.011
-ATOM 20 CA ALA 11 21.265 -17.768 0.792 0.000
-ATOM 21 CB ALA 11 21.279 -17.851 1.505 0.006
-ATOM 22 CA ALA 12 23.462 -20.055 -1.307 0.015
-ATOM 23 CB ALA 12 24.083 -19.681 -1.613 0.023
-ATOM 24 CA ALA 13 24.883 -23.545 -0.765 0.001
-ATOM 25 CB ALA 13 24.939 -23.379 -1.475 0.005
-ATOM 26 CA CYS 14 28.506 -24.151 0.121 0.023
-ATOM 27 CB CYS 14 28.467 -24.381 1.311 0.002
-ATOM 28 CA ALA 15 30.749 -27.164 -0.401 0.046
-ATOM 29 CB ALA 15 31.309 -27.062 -0.763 0.114
-ATOM 30 CA ALA 16 31.095 -30.532 1.347 0.080
-ATOM 31 CB ALA 16 30.886 -31.275 1.195 0.047
-ATOM 32 CA ALA 17 34.562 -32.039 1.399 0.023
-ATOM 33 CB ALA 17 35.009 -32.532 1.204 0.035
-ATOM 34 CA GLY 18 34.625 -35.780 2.061 0.000
+ATOM 1 CA GLY 1 18.887 -10.163 -10.608 0.012
+ATOM 2 CA ALA 2 18.562 -9.885 -6.834 0.020
+ATOM 3 CB ALA 2 18.353 -9.134 -6.608 0.009
+ATOM 4 CA ALA 3 16.754 -11.361 -3.915 0.008
+ATOM 5 CB ALA 3 16.860 -12.098 -3.836 0.112
+ATOM 6 CA ALA 4 16.762 -9.897 -0.433 0.060
+ATOM 7 CB ALA 4 16.145 -9.572 -0.328 0.050
+ATOM 8 CA CYS 5 15.755 -12.524 2.082 0.002
+ATOM 9 CB CYS 5 16.051 -13.633 1.487 0.072
+ATOM 10 CA ALA 6 15.104 -12.916 5.816 0.009
+ATOM 11 CB ALA 6 14.965 -12.382 6.257 0.010
+ATOM 12 CA ALA 7 12.233 -15.298 5.159 0.023
+ATOM 13 CB ALA 7 11.752 -15.096 4.590 0.108
+ATOM 14 CA ALA 8 12.615 -18.906 4.131 0.042
+ATOM 15 CB ALA 8 12.996 -18.890 4.861 0.008
+ATOM 16 CA ALA 9 9.909 -21.356 3.181 0.011
+ATOM 17 CB ALA 9 9.333 -20.985 3.212 0.086
+ATOM 18 CA ALA 10 10.743 -20.954 -0.478 0.081
+ATOM 19 CB ALA 10 10.850 -20.324 -0.915 0.001
+ATOM 20 CA ALA 11 12.566 -23.869 -1.971 0.022
+ATOM 21 CB ALA 11 12.731 -24.062 -2.616 0.275
+ATOM 22 CA ALA 12 15.810 -21.927 -1.726 0.004
+ATOM 23 CB ALA 12 15.774 -21.687 -2.426 0.135
+ATOM 24 CA ALA 13 18.582 -20.075 0.198 0.010
+ATOM 25 CB ALA 13 19.150 -20.569 0.255 0.020
+ATOM 26 CA CYS 14 19.577 -16.394 -0.296 0.009
+ATOM 27 CB CYS 14 18.494 -15.682 -0.508 0.016
+ATOM 28 CA ALA 15 22.406 -14.224 1.116 0.034
+ATOM 29 CB ALA 15 23.137 -14.120 1.199 0.111
+ATOM 30 CA ALA 16 22.651 -10.366 0.632 0.010
+ATOM 31 CB ALA 16 22.481 -9.688 0.945 0.009
+ATOM 32 CA ALA 17 25.991 -8.590 0.178 0.018
+ATOM 33 CB ALA 17 26.589 -8.669 0.306 0.039
+ATOM 34 CA GLY 18 26.757 -7.435 -3.316 0.000
TER
CONECT 1 2
CONECT 2 4 3
projects / unres.git / blobdiff