X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2FUNRES-Dock%2Foutput%2Fwham_T300K_0007.pdb;fp=examples%2FUNRES-Dock%2Foutput%2Fwham_T300K_0007.pdb;h=eba495b51251106d60663310a0d0b5de287548fc;hb=86a7a0fff3fb6d1c18791c4d2723ee3173d2cf65;hp=5652fb035f2fd2c0db2d8664147708344fc44ab8;hpb=018446aca1e32faf80f41e818acbfc61e5d872c9;p=unres.git diff --git a/examples/UNRES-Dock/output/wham_T300K_0007.pdb b/examples/UNRES-Dock/output/wham_T300K_0007.pdb index 5652fb0..eba495b 100644 --- a/examples/UNRES-Dock/output/wham_T300K_0007.pdb +++ b/examples/UNRES-Dock/output/wham_T300K_0007.pdb @@ -1,611 +1,611 @@ -REMARK CLUSTER 7 FREE ENERGY -1.22250E+01 AVE RMSD 0.00 -REMARK clustering ENERGY -1.18252E+01 RMS 0.00 -ATOM 1 CA ASP A 1 11.190 1.237 -9.502 1.00 5.00 -ATOM 2 CB ASP A 1 11.370 -0.742 -9.179 1.00 5.00 -ATOM 3 CA TRP A 2 11.005 2.613 -6.058 1.00 5.00 -ATOM 4 CB TRP A 2 11.904 1.353 -2.695 1.00 5.00 -ATOM 5 CA THR A 3 7.082 3.203 -6.479 1.00 5.00 -ATOM 6 CB THR A 3 5.835 3.937 -6.539 1.00 5.00 -ATOM 7 CA THR A 4 6.716 -0.500 -6.877 1.00 5.00 -ATOM 8 CB THR A 4 7.572 -1.473 -7.778 1.00 5.00 -ATOM 9 CA PHE A 5 9.260 -1.800 -4.487 1.00 5.00 -ATOM 10 CB PHE A 5 11.372 -3.545 -5.888 1.00 5.00 -ATOM 11 CA ARG A 6 7.702 0.447 -1.995 1.00 5.00 -ATOM 12 CB ARG A 6 7.177 3.970 -2.675 1.00 5.00 -ATOM 13 CA ARG A 7 4.399 -1.058 -2.689 1.00 5.00 -ATOM 14 CB ARG A 7 3.838 2.162 -3.165 1.00 5.00 -ATOM 15 CA VAL A 8 5.519 -4.577 -2.517 1.00 5.00 -ATOM 16 CB VAL A 8 6.734 -5.125 -3.064 1.00 5.00 -ATOM 17 CA PHE A 9 7.582 -4.082 0.759 1.00 5.00 -ATOM 18 CB PHE A 9 10.161 -3.294 -0.597 1.00 5.00 -ATOM 19 CA LEU A 10 5.147 -1.795 2.665 1.00 5.00 -ATOM 20 CB LEU A 10 3.595 -2.300 4.046 1.00 5.00 -ATOM 21 CA ILE A 11 8.287 0.678 2.808 1.00 5.00 -ATOM 22 CB ILE A 11 9.193 1.889 1.782 1.00 5.00 -ATOM 23 CA ASP A 12 8.496 4.223 4.409 1.00 5.00 -ATOM 24 CB ASP A 12 10.051 3.981 5.527 1.00 5.00 -ATOM 25 CA ASP A 13 9.279 7.015 2.089 1.00 5.00 -ATOM 26 CB ASP A 13 9.082 7.107 0.018 1.00 5.00 -ATOM 27 CA ALA A 14 11.250 8.678 4.921 1.00 5.00 -ATOM 28 CB ALA A 14 11.410 8.597 5.615 1.00 5.00 -ATOM 29 CA TRP A 15 13.774 5.643 4.156 1.00 5.00 -ATOM 30 CB TRP A 15 15.687 3.492 6.461 1.00 5.00 -ATOM 31 CA ARG A 16 14.044 5.976 0.196 1.00 5.00 -ATOM 32 CB ARG A 16 12.686 6.272 -3.168 1.00 5.00 -ATOM 33 CA PRO A 17 17.075 8.273 0.181 1.00 5.00 -ATOM 34 CB PRO A 17 15.978 8.752 0.919 1.00 5.00 -ATOM 35 CA LEU A 18 18.966 5.338 1.549 1.00 5.00 -ATOM 36 CB LEU A 18 19.053 5.428 3.702 1.00 5.00 -ATOM 37 CA MET A 19 16.964 2.534 -0.179 1.00 5.00 -ATOM 38 CB MET A 19 16.101 1.687 1.899 1.00 5.00 -ATOM 39 CA GLU A 20 16.797 3.495 -3.677 1.00 5.00 -ATOM 40 CB GLU A 20 15.922 5.065 -4.685 1.00 5.00 -ATOM 41 CA PRO A 21 20.517 3.300 -4.041 1.00 5.00 -ATOM 42 CB PRO A 21 20.216 4.221 -3.020 1.00 5.00 -ATOM 43 CA GLU A 22 21.079 -0.333 -3.729 1.00 5.00 -ATOM 44 CB GLU A 22 22.030 -0.518 -1.618 1.00 5.00 -ATOM 45 CA LEU A 23 18.005 -0.987 -6.085 1.00 5.00 -ATOM 46 CB LEU A 23 16.410 -0.825 -4.784 1.00 5.00 -ATOM 47 CA ALA A 24 19.381 0.242 -9.523 1.00 5.00 -ATOM 48 CB ALA A 24 19.979 0.720 -9.499 1.00 5.00 -ATOM 49 CA ASN A 25 22.422 -2.084 -9.058 1.00 5.00 -ATOM 50 CB ASN A 25 23.383 -1.566 -7.423 1.00 5.00 -ATOM 51 CA PRO A 26 22.318 -5.749 -10.533 1.00 5.00 -ATOM 52 CB PRO A 26 23.303 -5.288 -11.374 1.00 5.00 -ATOM 53 CA LEU A 27 22.944 -7.523 -7.300 1.00 5.00 -ATOM 54 CB LEU A 27 24.873 -8.027 -7.669 1.00 5.00 -ATOM 55 CA THR A 28 20.158 -6.357 -5.617 1.00 5.00 -ATOM 56 CB THR A 28 20.740 -5.225 -4.946 1.00 5.00 -ATOM 57 CA ALA A 29 17.542 -6.883 -8.298 1.00 5.00 -ATOM 58 CB ALA A 29 17.024 -6.261 -8.206 1.00 5.00 -ATOM 59 CA HIS A 30 18.907 -10.269 -8.388 1.00 5.00 -ATOM 60 CB HIS A 30 19.247 -12.976 -8.688 1.00 5.00 -ATOM 61 CA LEU A 31 18.325 -10.493 -4.540 1.00 5.00 -ATOM 62 CB LEU A 31 19.257 -9.421 -3.086 1.00 5.00 -ATOM 63 CA LEU A 32 14.712 -9.717 -5.451 1.00 5.00 -ATOM 64 CB LEU A 32 13.109 -8.683 -4.694 1.00 5.00 -ATOM 65 CA ALA A 33 14.761 -12.116 -8.345 1.00 5.00 -ATOM 66 CB ALA A 33 14.931 -11.544 -8.868 1.00 5.00 -ATOM 67 CA GLU A 34 15.809 -14.974 -5.642 1.00 5.00 -ATOM 68 CB GLU A 34 17.844 -16.771 -6.016 1.00 5.00 -ATOM 69 CA TYR A 35 13.415 -13.373 -3.237 1.00 5.00 -ATOM 70 CB TYR A 35 11.367 -11.777 -0.959 1.00 5.00 -ATOM 71 CA ASN A 36 10.527 -13.824 -5.178 1.00 5.00 -ATOM 72 CB ASN A 36 9.429 -13.434 -6.693 1.00 5.00 -ATOM 73 CA ARG A 37 11.572 -17.117 -6.297 1.00 5.00 -ATOM 74 CB ARG A 37 12.198 -15.396 -8.340 1.00 5.00 -ATOM 75 CA ARG A 38 11.802 -18.691 -2.824 1.00 5.00 -ATOM 76 CB ARG A 38 14.915 -19.697 -2.357 1.00 5.00 -ATOM 77 CA CYS A 39 8.336 -17.569 -2.158 1.00 5.00 -ATOM 78 CB CYS A 39 8.279 -16.188 -1.880 1.00 5.00 -ATOM 79 CA GLN A 40 7.444 -19.653 -5.297 1.00 5.00 -ATOM 80 CB GLN A 40 6.882 -18.722 -7.446 1.00 5.00 -ATOM 81 CA THR A 41 8.215 -22.836 -3.249 1.00 5.00 -ATOM 82 CB THR A 41 9.358 -23.821 -3.291 1.00 5.00 -ATOM 83 CA GLU A 42 8.653 -21.742 0.380 1.00 5.00 -ATOM 84 CB GLU A 42 10.797 -20.608 -0.065 1.00 5.00 -ATOM 85 CA GLU A 43 7.473 -19.904 3.633 1.00 5.00 -ATOM 86 CB GLU A 43 5.830 -21.401 4.695 1.00 5.00 -ATOM 87 CA VAL A 44 9.796 -16.941 4.706 1.00 5.00 -ATOM 88 CB VAL A 44 9.768 -16.194 3.446 1.00 5.00 -ATOM 89 CA LEU A 45 9.153 -16.365 8.434 1.00 5.00 -ATOM 90 CB LEU A 45 8.746 -17.085 10.359 1.00 5.00 -ATOM 91 CA PRO A 46 8.978 -12.485 8.115 1.00 5.00 -ATOM 92 CB PRO A 46 10.260 -12.819 7.667 1.00 5.00 -ATOM 93 CA PRO A 47 5.443 -12.264 6.803 1.00 5.00 -ATOM 94 CB PRO A 47 4.989 -12.176 8.123 1.00 5.00 -ATOM 95 CA ARG A 48 5.971 -10.516 3.396 1.00 5.00 -ATOM 96 CB ARG A 48 6.571 -10.232 0.703 1.00 5.00 -ATOM 97 CA GLU A 49 4.724 -7.412 5.336 1.00 5.00 -ATOM 98 CB GLU A 49 2.571 -8.587 5.417 1.00 5.00 -ATOM 99 CA ASP A 50 6.753 -7.257 8.180 1.00 5.00 -ATOM 100 CB ASP A 50 5.877 -8.519 9.434 1.00 5.00 -ATOM 101 CA VAL A 51 10.078 -7.799 6.405 1.00 5.00 -ATOM 102 CB VAL A 51 10.747 -8.776 5.568 1.00 5.00 -ATOM 103 CA PHE A 52 10.152 -3.923 6.413 1.00 5.00 -ATOM 104 CB PHE A 52 12.136 -3.327 4.420 1.00 5.00 -ATOM 105 CA SER A 53 8.591 -3.240 9.559 1.00 5.00 -ATOM 106 CB SER A 53 8.876 -4.267 10.342 1.00 5.00 -ATOM 107 CA TRP A 54 11.892 -2.172 10.408 1.00 5.00 -ATOM 108 CB TRP A 54 14.498 -2.036 8.353 1.00 5.00 -ATOM 109 CA THR A 55 11.621 1.208 8.589 1.00 5.00 -ATOM 110 CB THR A 55 11.935 0.961 7.101 1.00 5.00 -ATOM 111 CA ARG A 56 8.165 1.482 9.914 1.00 5.00 -ATOM 112 CB ARG A 56 6.357 1.220 6.842 1.00 5.00 -ATOM 113 CA TYR A 57 9.237 2.596 13.514 1.00 5.00 -ATOM 114 CB TYR A 57 11.776 0.422 13.447 1.00 5.00 -ATOM 115 CA CYS A 58 11.229 5.835 13.350 1.00 5.00 -ATOM 116 CB CYS A 58 12.378 5.103 13.796 1.00 5.00 -ATOM 117 CA THR A 59 12.819 8.195 10.659 1.00 5.00 -ATOM 118 CB THR A 59 12.113 9.313 10.036 1.00 5.00 -ATOM 119 CA PRO A 60 16.602 7.941 9.792 1.00 5.00 -ATOM 120 CB PRO A 60 16.544 8.248 8.382 1.00 5.00 -ATOM 121 CA ASP A 61 17.531 11.125 11.691 1.00 5.00 -ATOM 122 CB ASP A 61 16.850 12.800 10.588 1.00 5.00 -ATOM 123 CA GLU A 62 15.687 9.392 14.870 1.00 5.00 -ATOM 124 CB GLU A 62 13.669 8.549 16.595 1.00 5.00 -ATOM 125 CA VAL A 63 17.832 6.471 14.836 1.00 5.00 -ATOM 126 CB VAL A 63 17.497 5.920 13.474 1.00 5.00 -ATOM 127 CA ARG A 64 20.079 7.104 17.713 1.00 5.00 -ATOM 128 CB ARG A 64 18.724 7.863 20.650 1.00 5.00 -ATOM 129 CA VAL A 65 20.612 3.369 18.527 1.00 5.00 -ATOM 130 CB VAL A 65 20.087 2.952 19.894 1.00 5.00 -ATOM 131 CA VAL A 66 21.409 0.365 16.073 1.00 5.00 -ATOM 132 CB VAL A 66 21.458 0.746 14.724 1.00 5.00 -ATOM 133 CA ILE A 67 21.446 -3.381 17.286 1.00 5.00 -ATOM 134 CB ILE A 67 20.557 -3.982 18.531 1.00 5.00 -ATOM 135 CA ILE A 68 22.536 -6.149 14.627 1.00 5.00 -ATOM 136 CB ILE A 68 23.842 -6.131 13.214 1.00 5.00 -ATOM 137 CA GLY A 69 21.364 -9.662 14.692 1.00 5.00 -ATOM 138 CA GLN A 70 21.648 -12.639 12.277 1.00 5.00 -ATOM 139 CB GLN A 70 22.605 -14.694 13.176 1.00 5.00 -ATOM 140 CA ASP A 71 18.505 -13.985 10.718 1.00 5.00 -ATOM 141 CB ASP A 71 18.340 -15.980 10.608 1.00 5.00 -ATOM 142 CA PRO A 72 14.856 -13.769 11.951 1.00 5.00 -ATOM 143 CB PRO A 72 14.790 -13.345 10.553 1.00 5.00 -ATOM 144 CA TYR A 73 14.223 -16.623 14.194 1.00 5.00 -ATOM 145 CB TYR A 73 14.843 -18.748 16.530 1.00 5.00 -ATOM 146 CA HIS A 74 12.637 -19.202 12.315 1.00 5.00 -ATOM 147 CB HIS A 74 13.049 -21.758 12.712 1.00 5.00 -ATOM 148 CA HIS A 75 9.950 -20.675 14.610 1.00 5.00 -ATOM 149 CB HIS A 75 9.502 -19.709 17.108 1.00 5.00 -ATOM 150 CA PRO A 76 6.236 -20.277 13.727 1.00 5.00 -ATOM 151 CB PRO A 76 6.277 -21.518 14.252 1.00 5.00 -ATOM 152 CA GLY A 77 4.648 -17.132 14.912 1.00 5.00 -ATOM 153 CA GLN A 78 8.019 -15.532 16.361 1.00 5.00 -ATOM 154 CB GLN A 78 9.915 -16.470 15.083 1.00 5.00 -ATOM 155 CA ALA A 79 9.916 -12.807 14.336 1.00 5.00 -ATOM 156 CB ALA A 79 10.111 -12.812 13.613 1.00 5.00 -ATOM 157 CA HIS A 80 8.208 -9.454 13.172 1.00 5.00 -ATOM 158 CB HIS A 80 8.314 -8.162 15.497 1.00 5.00 -ATOM 159 CA GLY A 81 10.857 -7.961 11.125 1.00 5.00 -ATOM 160 CA LEU A 82 13.014 -6.624 13.874 1.00 5.00 -ATOM 161 CB LEU A 82 11.953 -4.931 13.900 1.00 5.00 -ATOM 162 CA ALA A 83 16.132 -8.439 15.145 1.00 5.00 -ATOM 163 CB ALA A 83 16.694 -8.694 14.679 1.00 5.00 -ATOM 164 CA PHE A 84 15.878 -9.300 18.909 1.00 5.00 -ATOM 165 CB PHE A 84 18.815 -8.971 19.077 1.00 5.00 -ATOM 166 CA SER A 85 12.124 -9.448 18.980 1.00 5.00 -ATOM 167 CB SER A 85 12.150 -9.427 17.656 1.00 5.00 -ATOM 168 CA VAL A 86 9.179 -11.759 19.229 1.00 5.00 -ATOM 169 CB VAL A 86 9.297 -12.186 20.623 1.00 5.00 -ATOM 170 CA ARG A 87 5.602 -10.511 18.919 1.00 5.00 -ATOM 171 CB ARG A 87 5.664 -11.051 15.626 1.00 5.00 -ATOM 172 CA ALA A 88 3.958 -10.375 22.466 1.00 5.00 -ATOM 173 CB ALA A 88 3.905 -9.753 22.907 1.00 5.00 -ATOM 174 CA ASN A 89 2.709 -14.107 22.217 1.00 5.00 -ATOM 175 CB ASN A 89 0.791 -14.678 22.057 1.00 5.00 -ATOM 176 CA VAL A 90 5.754 -16.181 22.254 1.00 5.00 -ATOM 177 CB VAL A 90 5.777 -16.281 20.760 1.00 5.00 -ATOM 178 CA PRO A 91 8.012 -17.287 25.196 1.00 5.00 -ATOM 179 CB PRO A 91 8.374 -18.443 24.395 1.00 5.00 -ATOM 180 CA PRO A 92 11.117 -15.355 24.809 1.00 5.00 -ATOM 181 CB PRO A 92 11.008 -14.938 26.170 1.00 5.00 -ATOM 182 CA PRO A 93 13.671 -17.222 22.619 1.00 5.00 -ATOM 183 CB PRO A 93 13.825 -16.016 21.901 1.00 5.00 -ATOM 184 CA PRO A 94 16.613 -17.660 24.824 1.00 5.00 -ATOM 185 CB PRO A 94 16.426 -19.043 24.441 1.00 5.00 -ATOM 186 CA SER A 95 18.917 -14.775 24.156 1.00 5.00 -ATOM 187 CB SER A 95 19.191 -14.471 22.941 1.00 5.00 -ATOM 188 CA LEU A 96 16.229 -12.012 24.080 1.00 5.00 -ATOM 189 CB LEU A 96 14.400 -11.246 23.453 1.00 5.00 -ATOM 190 CA ARG A 97 15.886 -13.117 27.698 1.00 5.00 -ATOM 191 CB ARG A 97 15.635 -14.662 30.755 1.00 5.00 -ATOM 192 CA ASN A 98 19.374 -12.514 28.444 1.00 5.00 -ATOM 193 CB ASN A 98 21.261 -12.781 27.889 1.00 5.00 -ATOM 194 CA VAL A 99 19.268 -9.057 26.629 1.00 5.00 -ATOM 195 CB VAL A 99 19.410 -8.540 25.278 1.00 5.00 -ATOM 196 CA LEU A 100 16.147 -8.080 28.723 1.00 5.00 -ATOM 197 CB LEU A 100 14.181 -8.632 28.289 1.00 5.00 -ATOM 198 CA ALA A 101 18.196 -9.525 31.667 1.00 5.00 -ATOM 199 CB ALA A 101 18.670 -10.010 31.372 1.00 5.00 -ATOM 200 CA ALA A 102 21.010 -7.087 31.333 1.00 5.00 -ATOM 201 CB ALA A 102 21.584 -7.142 30.763 1.00 5.00 -ATOM 202 CA VAL A 103 18.651 -4.194 30.778 1.00 5.00 -ATOM 203 CB VAL A 103 18.329 -4.603 29.342 1.00 5.00 -ATOM 204 CA LYS A 104 17.509 -5.330 34.428 1.00 5.00 -ATOM 205 CB LYS A 104 14.937 -6.995 34.221 1.00 5.00 -ATOM 206 CA ASN A 105 21.145 -4.947 35.345 1.00 5.00 -ATOM 207 CB ASN A 105 21.923 -6.655 36.444 1.00 5.00 -ATOM 208 CA CYS A 106 21.809 -1.469 33.813 1.00 5.00 -ATOM 209 CB CYS A 106 22.073 -2.151 32.525 1.00 5.00 -ATOM 210 CA TYR A 107 18.702 0.028 35.507 1.00 5.00 -ATOM 211 CB TYR A 107 16.881 -0.703 32.854 1.00 5.00 -ATOM 212 CA PRO A 108 17.168 -1.359 38.756 1.00 5.00 -ATOM 213 CB PRO A 108 18.382 -0.852 39.198 1.00 5.00 -ATOM 214 CA GLU A 109 14.482 1.243 38.363 1.00 5.00 -ATOM 215 CB GLU A 109 13.312 3.524 38.177 1.00 5.00 -ATOM 216 CA ALA A 110 12.535 -0.141 35.179 1.00 5.00 -ATOM 217 CB ALA A 110 12.844 -0.821 34.789 1.00 5.00 -ATOM 218 CA ARG A 111 9.400 -2.464 35.816 1.00 5.00 -ATOM 219 CB ARG A 111 8.229 0.704 36.294 1.00 5.00 -ATOM 220 CA MET A 112 10.343 -5.131 33.034 1.00 5.00 -ATOM 221 CB MET A 112 12.188 -4.633 31.479 1.00 5.00 -ATOM 222 CA SER A 113 6.981 -6.785 31.929 1.00 5.00 -ATOM 223 CB SER A 113 7.135 -5.534 31.347 1.00 5.00 -ATOM 224 CA GLY A 114 7.975 -10.425 31.242 1.00 5.00 -ATOM 225 CA HIS A 115 7.288 -10.069 27.485 1.00 5.00 -ATOM 226 CB HIS A 115 4.988 -11.451 26.817 1.00 5.00 -ATOM 227 CA GLY A 116 9.719 -9.615 24.381 1.00 5.00 -ATOM 228 CA CYS A 117 7.663 -7.145 22.396 1.00 5.00 -ATOM 229 CB CYS A 117 6.573 -6.656 23.119 1.00 5.00 -ATOM 230 CA LEU A 118 10.631 -4.772 21.496 1.00 5.00 -ATOM 231 CB LEU A 118 12.534 -5.218 22.343 1.00 5.00 -ATOM 232 CA GLU A 119 8.514 -2.276 19.615 1.00 5.00 -ATOM 233 CB GLU A 119 6.059 -2.986 19.613 1.00 5.00 -ATOM 234 CA LYS A 120 8.834 0.158 22.573 1.00 5.00 -ATOM 235 CB LYS A 120 8.977 0.825 25.142 1.00 5.00 -ATOM 236 CA TRP A 121 12.602 0.334 21.565 1.00 5.00 -ATOM 237 CB TRP A 121 12.845 -0.761 24.636 1.00 5.00 -ATOM 238 CA ALA A 122 11.741 0.703 17.985 1.00 5.00 -ATOM 239 CB ALA A 122 11.125 0.314 17.667 1.00 5.00 -ATOM 240 CA ARG A 123 10.015 3.921 18.803 1.00 5.00 -ATOM 241 CB ARG A 123 7.894 2.709 16.678 1.00 5.00 -ATOM 242 CA ASP A 124 12.525 4.972 21.083 1.00 5.00 -ATOM 243 CB ASP A 124 11.635 5.467 22.812 1.00 5.00 -ATOM 244 CA GLY A 125 14.933 4.911 18.120 1.00 5.00 -ATOM 245 CA VAL A 126 16.553 1.489 18.695 1.00 5.00 -ATOM 246 CB VAL A 126 15.992 0.203 19.145 1.00 5.00 -ATOM 247 CA LEU A 127 17.228 0.096 14.971 1.00 5.00 -ATOM 248 CB LEU A 127 17.186 0.999 13.234 1.00 5.00 -ATOM 249 CA LEU A 128 17.496 -3.778 15.666 1.00 5.00 -ATOM 250 CB LEU A 128 15.821 -4.639 16.528 1.00 5.00 -ATOM 251 CA LEU A 129 18.894 -4.471 12.051 1.00 5.00 -ATOM 252 CB LEU A 129 19.329 -3.686 10.342 1.00 5.00 -ATOM 253 CA ASN A 130 18.633 -8.278 11.246 1.00 5.00 -ATOM 254 CB ASN A 130 16.813 -9.124 10.848 1.00 5.00 -ATOM 255 CA THR A 131 21.293 -8.795 8.429 1.00 5.00 -ATOM 256 CB THR A 131 22.746 -8.470 8.371 1.00 5.00 -ATOM 257 CA THR A 132 19.319 -11.547 6.359 1.00 5.00 -ATOM 258 CB THR A 132 19.184 -12.759 5.553 1.00 5.00 -ATOM 259 CA LEU A 133 15.871 -9.952 6.340 1.00 5.00 -ATOM 260 CB LEU A 133 15.357 -8.068 7.228 1.00 5.00 -ATOM 261 CA THR A 134 14.651 -13.479 5.499 1.00 5.00 -ATOM 262 CB THR A 134 14.751 -12.999 4.092 1.00 5.00 -ATOM 263 CA VAL A 135 14.410 -17.038 6.667 1.00 5.00 -ATOM 264 CB VAL A 135 14.464 -17.802 8.003 1.00 5.00 -ATOM 265 CA LYS A 136 12.816 -20.368 5.434 1.00 5.00 -ATOM 266 CB LYS A 136 13.723 -21.260 2.559 1.00 5.00 -ATOM 267 CA ARG A 137 10.175 -21.680 8.321 1.00 5.00 -ATOM 268 CB ARG A 137 6.996 -20.261 8.021 1.00 5.00 -ATOM 269 CA GLY A 138 12.316 -24.431 9.767 1.00 5.00 -ATOM 270 CA ALA A 139 15.339 -23.525 7.624 1.00 5.00 -ATOM 271 CB ALA A 139 15.013 -22.723 7.478 1.00 5.00 -ATOM 272 CA ALA A 140 17.215 -21.675 10.319 1.00 5.00 -ATOM 273 CB ALA A 140 16.922 -21.636 10.980 1.00 5.00 -ATOM 274 CA ALA A 141 20.405 -20.390 8.422 1.00 5.00 -ATOM 275 CB ALA A 141 20.968 -20.892 8.249 1.00 5.00 -ATOM 276 CA SER A 142 19.013 -21.579 4.933 1.00 5.00 -ATOM 277 CB SER A 142 18.251 -22.627 4.825 1.00 5.00 -ATOM 278 CA HIS A 143 18.885 -18.171 3.139 1.00 5.00 -ATOM 279 CB HIS A 143 16.093 -18.182 3.088 1.00 5.00 -ATOM 280 CA SER A 144 21.519 -16.368 4.713 1.00 5.00 -ATOM 281 CB SER A 144 22.037 -17.170 5.642 1.00 5.00 -ATOM 282 CA ARG A 145 23.310 -16.727 1.409 1.00 5.00 -ATOM 283 CB ARG A 145 24.743 -19.168 3.449 1.00 5.00 -ATOM 284 CA ILE A 146 21.001 -14.772 -0.817 1.00 5.00 -ATOM 285 CB ILE A 146 19.285 -14.040 -1.354 1.00 5.00 -ATOM 286 CA GLY A 147 22.805 -11.449 -0.451 1.00 5.00 -ATOM 287 CA TRP A 148 20.536 -9.655 1.948 1.00 5.00 -ATOM 288 CB TRP A 148 17.046 -8.797 2.510 1.00 5.00 -ATOM 289 CA ASP A 149 23.385 -8.342 4.061 1.00 5.00 -ATOM 290 CB ASP A 149 24.632 -9.951 3.802 1.00 5.00 -ATOM 291 CA ARG A 150 24.796 -6.447 1.173 1.00 5.00 -ATOM 292 CB ARG A 150 25.951 -8.344 -2.272 1.00 5.00 -ATOM 293 CA PHE A 151 21.692 -4.570 0.752 1.00 5.00 -ATOM 294 CB PHE A 151 19.001 -3.512 0.142 1.00 5.00 -ATOM 295 CA VAL A 152 21.622 -4.023 4.518 1.00 5.00 -ATOM 296 CB VAL A 152 20.747 -5.022 5.059 1.00 5.00 -ATOM 297 CA GLY A 153 25.279 -2.681 4.934 1.00 5.00 -ATOM 298 CA GLY A 154 24.979 0.122 2.064 1.00 5.00 -ATOM 299 CA VAL A 155 21.778 1.090 3.865 1.00 5.00 -ATOM 300 CB VAL A 155 20.606 0.220 3.710 1.00 5.00 -ATOM 301 CA ILE A 156 23.740 1.156 7.243 1.00 5.00 -ATOM 302 CB ILE A 156 23.589 -0.381 8.375 1.00 5.00 -ATOM 303 CA ARG A 157 26.509 3.097 5.585 1.00 5.00 -ATOM 304 CB ARG A 157 29.529 4.186 4.785 1.00 5.00 -ATOM 305 CA ARG A 158 24.320 5.946 4.231 1.00 5.00 -ATOM 306 CB ARG A 158 23.663 6.218 1.008 1.00 5.00 -ATOM 307 CA LEU A 159 22.956 6.199 7.728 1.00 5.00 -ATOM 308 CB LEU A 159 21.594 5.121 8.996 1.00 5.00 -ATOM 309 CA ALA A 160 26.368 5.931 9.267 1.00 5.00 -ATOM 310 CB ALA A 160 27.028 5.525 9.433 1.00 5.00 -ATOM 311 CA ALA A 161 27.407 8.831 7.030 1.00 5.00 -ATOM 312 CB ALA A 161 27.597 8.367 6.433 1.00 5.00 -ATOM 313 CA ARG A 162 24.066 10.790 7.654 1.00 5.00 -ATOM 314 CB ARG A 162 20.961 10.529 6.252 1.00 5.00 -ATOM 315 CA ARG A 163 24.562 11.339 11.203 1.00 5.00 -ATOM 316 CB ARG A 163 23.321 11.028 14.440 1.00 5.00 -ATOM 317 CA PRO A 164 27.493 12.066 13.395 1.00 5.00 -ATOM 318 CB PRO A 164 27.222 13.414 13.066 1.00 5.00 -ATOM 319 CA GLY A 165 25.936 10.734 16.642 1.00 5.00 -ATOM 320 CA LEU A 166 24.517 7.133 16.610 1.00 5.00 -ATOM 321 CB LEU A 166 23.447 6.454 14.985 1.00 5.00 -ATOM 322 CA VAL A 167 25.389 4.401 19.259 1.00 5.00 -ATOM 323 CB VAL A 167 24.559 4.003 20.466 1.00 5.00 -ATOM 324 CA PHE A 168 25.813 0.993 17.858 1.00 5.00 -ATOM 325 CB PHE A 168 26.668 2.468 15.442 1.00 5.00 -ATOM 326 CA MET A 169 25.477 -2.128 19.984 1.00 5.00 -ATOM 327 CB MET A 169 23.452 -1.233 21.252 1.00 5.00 -ATOM 328 CA LEU A 170 27.720 -5.104 18.392 1.00 5.00 -ATOM 329 CB LEU A 170 29.265 -4.155 17.254 1.00 5.00 -ATOM 330 CA TRP A 171 27.179 -8.541 19.448 1.00 5.00 -ATOM 331 CB TRP A 171 24.523 -7.181 21.089 1.00 5.00 -ATOM 332 CA GLY A 172 29.571 -11.394 18.238 1.00 5.00 -ATOM 333 CA THR A 173 32.285 -12.152 15.847 1.00 5.00 -ATOM 334 CB THR A 173 32.374 -13.595 15.769 1.00 5.00 -ATOM 335 CA HIS A 174 29.865 -12.016 12.946 1.00 5.00 -ATOM 336 CB HIS A 174 28.243 -11.866 10.678 1.00 5.00 -ATOM 337 CA ALA A 175 28.080 -8.948 13.858 1.00 5.00 -ATOM 338 CB ALA A 175 27.358 -9.079 14.125 1.00 5.00 -ATOM 339 CA GLN A 176 31.000 -6.967 14.759 1.00 5.00 -ATOM 340 CB GLN A 176 31.919 -7.742 17.268 1.00 5.00 -ATOM 341 CA ASN A 177 33.275 -8.011 11.785 1.00 5.00 -ATOM 342 CB ASN A 177 34.246 -9.314 13.110 1.00 5.00 -ATOM 343 CA ALA A 178 29.797 -7.503 9.730 1.00 5.00 -ATOM 344 CB ALA A 178 29.407 -7.903 10.260 1.00 5.00 -ATOM 345 CA ILE A 179 29.683 -3.813 10.664 1.00 5.00 -ATOM 346 CB ILE A 179 28.203 -3.347 11.754 1.00 5.00 -ATOM 347 CA ARG A 180 32.424 -1.323 10.843 1.00 5.00 -ATOM 348 CB ARG A 180 35.037 -3.586 10.314 1.00 5.00 -ATOM 349 CA PRO A 181 30.788 2.097 11.864 1.00 5.00 -ATOM 350 CB PRO A 181 30.644 1.292 12.984 1.00 5.00 -ATOM 351 CA ASP A 182 33.356 5.034 12.005 1.00 5.00 -ATOM 352 CB ASP A 182 32.041 6.310 11.238 1.00 5.00 -ATOM 353 CA PRO A 183 34.726 4.371 15.453 1.00 5.00 -ATOM 354 CB PRO A 183 35.235 3.162 14.991 1.00 5.00 -ATOM 355 CA ARG A 184 35.738 8.026 16.335 1.00 5.00 -ATOM 356 CB ARG A 184 38.071 9.588 18.377 1.00 5.00 -ATOM 357 CA VAL A 185 32.576 9.283 14.692 1.00 5.00 -ATOM 358 CB VAL A 185 32.116 10.145 13.599 1.00 5.00 -ATOM 359 CA HIS A 186 29.984 7.246 16.668 1.00 5.00 -ATOM 360 CB HIS A 186 28.014 8.012 14.826 1.00 5.00 -ATOM 361 CA CYS A 187 29.922 5.075 19.917 1.00 5.00 -ATOM 362 CB CYS A 187 29.091 4.868 21.029 1.00 5.00 -ATOM 363 CA VAL A 188 30.598 1.561 18.652 1.00 5.00 -ATOM 364 CB VAL A 188 32.103 1.184 18.630 1.00 5.00 -ATOM 365 CA LEU A 189 29.779 -1.163 21.333 1.00 5.00 -ATOM 366 CB LEU A 189 28.146 -0.091 22.193 1.00 5.00 -ATOM 367 CA LYS A 190 31.276 -4.729 21.467 1.00 5.00 -ATOM 368 CB LYS A 190 33.343 -5.236 20.392 1.00 5.00 -ATOM 369 CA PHE A 191 30.366 -7.809 23.488 1.00 5.00 -ATOM 370 CB PHE A 191 30.746 -7.150 26.446 1.00 5.00 -ATOM 371 CA SER A 192 30.086 -11.670 23.471 1.00 5.00 -ATOM 372 CB SER A 192 29.575 -11.492 24.700 1.00 5.00 -ATOM 373 CA HIS A 193 26.798 -12.184 22.311 1.00 5.00 -ATOM 374 CB HIS A 193 25.537 -12.216 19.879 1.00 5.00 -ATOM 375 CA PRO A 194 23.681 -12.516 24.358 1.00 5.00 -ATOM 376 CB PRO A 194 23.281 -11.380 23.677 1.00 5.00 -ATOM 377 CA SER A 195 23.166 -16.305 24.294 1.00 5.00 -ATOM 378 CB SER A 195 23.419 -16.621 23.165 1.00 5.00 -ATOM 379 CA PRO A 196 22.993 -19.120 26.881 1.00 5.00 -ATOM 380 CB PRO A 196 21.595 -18.916 26.641 1.00 5.00 -ATOM 381 CA LEU A 197 26.332 -20.645 25.898 1.00 5.00 -ATOM 382 CB LEU A 197 27.481 -22.190 25.294 1.00 5.00 -ATOM 383 CA SER A 198 28.985 -17.736 25.324 1.00 5.00 -ATOM 384 CB SER A 198 28.868 -16.660 24.623 1.00 5.00 -ATOM 385 CA LYS A 199 32.144 -17.086 27.307 1.00 5.00 -ATOM 386 CB LYS A 199 34.447 -15.993 28.876 1.00 5.00 -ATOM 387 CA VAL A 200 30.720 -13.985 29.102 1.00 5.00 -ATOM 388 CB VAL A 200 31.318 -12.639 28.773 1.00 5.00 -ATOM 389 CA PRO A 201 27.128 -14.264 30.605 1.00 5.00 -ATOM 390 CB PRO A 201 27.582 -13.864 31.938 1.00 5.00 -ATOM 391 CA PHE A 202 25.354 -11.261 28.953 1.00 5.00 -ATOM 392 CB PHE A 202 25.814 -9.504 26.524 1.00 5.00 -ATOM 393 CA GLY A 203 23.981 -9.877 32.148 1.00 5.00 -ATOM 394 CA THR A 204 27.568 -8.579 32.947 1.00 5.00 -ATOM 395 CB THR A 204 28.756 -9.382 33.051 1.00 5.00 -ATOM 396 CA CYS A 205 27.365 -5.905 30.238 1.00 5.00 -ATOM 397 CB CYS A 205 26.197 -5.781 29.530 1.00 5.00 -ATOM 398 CA GLN A 206 26.109 -2.332 30.455 1.00 5.00 -ATOM 399 CB GLN A 206 26.772 -2.755 32.733 1.00 5.00 -ATOM 400 CA HIS A 207 26.178 -1.010 26.906 1.00 5.00 -ATOM 401 CB HIS A 207 26.008 -2.654 24.824 1.00 5.00 -ATOM 402 CA PHE A 208 22.773 0.326 27.764 1.00 5.00 -ATOM 403 CB PHE A 208 21.919 -2.181 26.416 1.00 5.00 -ATOM 404 CA LEU A 209 24.500 2.177 30.614 1.00 5.00 -ATOM 405 CB LEU A 209 25.434 2.398 32.493 1.00 5.00 -ATOM 406 CA VAL A 210 27.120 3.301 28.338 1.00 5.00 -ATOM 407 CB VAL A 210 27.806 2.281 27.375 1.00 5.00 -ATOM 408 CA ALA A 211 24.622 4.310 25.698 1.00 5.00 -ATOM 409 CB ALA A 211 24.141 3.649 25.772 1.00 5.00 -ATOM 410 CA ASN A 212 23.139 6.661 28.157 1.00 5.00 -ATOM 411 CB ASN A 212 21.312 6.095 28.002 1.00 5.00 -ATOM 412 CA ARG A 213 26.546 8.244 28.947 1.00 5.00 -ATOM 413 CB ARG A 213 29.514 8.295 30.083 1.00 5.00 -ATOM 414 CA TYR A 214 27.074 8.628 25.129 1.00 5.00 -ATOM 415 CB TYR A 214 27.054 8.492 21.666 1.00 5.00 -ATOM 416 CA LEU A 215 23.743 10.316 24.792 1.00 5.00 -ATOM 417 CB LEU A 215 22.900 8.531 24.170 1.00 5.00 -ATOM 418 CA GLU A 216 24.278 12.990 27.656 1.00 5.00 -ATOM 419 CB GLU A 216 22.015 13.153 28.460 1.00 5.00 -ATOM 420 CA THR A 217 27.799 13.861 26.397 1.00 5.00 -ATOM 421 CB THR A 217 28.796 12.834 26.262 1.00 5.00 -ATOM 422 CA ARG A 218 26.031 14.593 23.103 1.00 5.00 -ATOM 423 CB ARG A 218 26.550 14.136 20.427 1.00 5.00 -ATOM 424 CA SER A 219 23.136 16.090 24.778 1.00 5.00 -ATOM 425 CB SER A 219 23.369 17.265 24.448 1.00 5.00 -ATOM 426 CA ILE A 220 20.453 13.467 23.410 1.00 5.00 -ATOM 427 CB ILE A 220 20.781 12.132 22.083 1.00 5.00 -ATOM 428 CA SER A 221 18.163 12.041 26.055 1.00 5.00 -ATOM 429 CB SER A 221 17.279 11.188 25.604 1.00 5.00 -ATOM 430 CA PRO A 222 18.726 8.568 27.546 1.00 5.00 -ATOM 431 CB PRO A 222 18.734 9.298 28.687 1.00 5.00 -ATOM 432 CA ILE A 223 16.145 6.062 26.232 1.00 5.00 -ATOM 433 CB ILE A 223 16.097 5.319 24.765 1.00 5.00 -ATOM 434 CA ASP A 224 14.014 3.757 28.599 1.00 5.00 -ATOM 435 CB ASP A 224 12.494 4.730 29.373 1.00 5.00 -ATOM 436 CA TRP A 225 15.235 0.253 28.082 1.00 5.00 -ATOM 437 CB TRP A 225 18.038 1.350 26.505 1.00 5.00 -ATOM 438 CA SER A 226 12.032 -0.772 30.244 1.00 5.00 -ATOM 439 CB SER A 226 11.373 0.160 30.909 1.00 5.00 -ATOM 440 CA VAL A 227 10.200 -3.187 28.118 1.00 5.00 -ATOM 441 CB VAL A 227 10.432 -4.448 27.157 1.00 5.00 +REMARK CLUSTER 7 FREE ENERGY -1.37188E+01 AVE RMSD 0.00 +REMARK clustering ENERGY -1.13152E+01 RMS 0.00 +ATOM 1 CA ASP A 1 1.356 28.572 11.955 1.00 5.00 +ATOM 2 CB ASP A 1 0.999 27.410 10.342 1.00 5.00 +ATOM 3 CA TRP A 2 4.370 26.773 13.502 1.00 5.00 +ATOM 4 CB TRP A 2 7.578 26.697 14.398 1.00 5.00 +ATOM 5 CA THR A 3 1.558 25.433 15.814 1.00 5.00 +ATOM 6 CB THR A 3 1.731 25.749 17.330 1.00 5.00 +ATOM 7 CA THR A 4 -0.176 24.117 12.482 1.00 5.00 +ATOM 8 CB THR A 4 -1.211 25.216 12.321 1.00 5.00 +ATOM 9 CA PHE A 5 2.750 21.900 11.990 1.00 5.00 +ATOM 10 CB PHE A 5 5.807 21.394 12.054 1.00 5.00 +ATOM 11 CA ARG A 6 2.929 21.243 15.690 1.00 5.00 +ATOM 12 CB ARG A 6 3.527 19.716 18.674 1.00 5.00 +ATOM 13 CA ARG A 7 -0.552 19.322 15.243 1.00 5.00 +ATOM 14 CB ARG A 7 -2.595 17.281 17.197 1.00 5.00 +ATOM 15 CA VAL A 8 0.655 18.192 11.807 1.00 5.00 +ATOM 16 CB VAL A 8 1.180 18.783 10.493 1.00 5.00 +ATOM 17 CA PHE A 9 3.820 16.643 13.465 1.00 5.00 +ATOM 18 CB PHE A 9 5.614 16.947 11.080 1.00 5.00 +ATOM 19 CA LEU A 10 3.702 16.150 17.289 1.00 5.00 +ATOM 20 CB LEU A 10 1.661 15.540 17.781 1.00 5.00 +ATOM 21 CA ILE A 11 6.738 18.128 18.038 1.00 5.00 +ATOM 22 CB ILE A 11 7.305 19.722 17.298 1.00 5.00 +ATOM 23 CA ASP A 12 8.074 19.080 21.341 1.00 5.00 +ATOM 24 CB ASP A 12 7.612 18.076 22.993 1.00 5.00 +ATOM 25 CA ASP A 13 7.868 22.966 21.394 1.00 5.00 +ATOM 26 CB ASP A 13 6.578 24.477 22.046 1.00 5.00 +ATOM 27 CA ALA A 14 11.622 23.328 22.539 1.00 5.00 +ATOM 28 CB ALA A 14 12.164 23.141 23.145 1.00 5.00 +ATOM 29 CA TRP A 15 12.160 22.483 18.787 1.00 5.00 +ATOM 30 CB TRP A 15 15.080 20.392 17.682 1.00 5.00 +ATOM 31 CA ARG A 16 10.667 25.721 17.950 1.00 5.00 +ATOM 32 CB ARG A 16 6.810 24.483 18.295 1.00 5.00 +ATOM 33 CA PRO A 17 14.188 27.154 18.094 1.00 5.00 +ATOM 34 CB PRO A 17 13.873 26.302 19.205 1.00 5.00 +ATOM 35 CA LEU A 18 15.384 25.332 14.879 1.00 5.00 +ATOM 36 CB LEU A 18 17.218 24.927 15.783 1.00 5.00 +ATOM 37 CA MET A 19 12.184 23.815 13.254 1.00 5.00 +ATOM 38 CB MET A 19 12.177 21.974 14.090 1.00 5.00 +ATOM 39 CA GLU A 20 10.618 27.039 12.029 1.00 5.00 +ATOM 40 CB GLU A 20 9.577 29.053 11.893 1.00 5.00 +ATOM 41 CA PRO A 21 13.580 28.924 10.406 1.00 5.00 +ATOM 42 CB PRO A 21 14.342 28.382 11.460 1.00 5.00 +ATOM 43 CA GLU A 22 13.004 26.009 8.117 1.00 5.00 +ATOM 44 CB GLU A 22 14.845 24.405 8.029 1.00 5.00 +ATOM 45 CA LEU A 23 9.229 26.131 8.035 1.00 5.00 +ATOM 46 CB LEU A 23 7.800 25.694 9.107 1.00 5.00 +ATOM 47 CA ALA A 24 9.737 29.516 6.579 1.00 5.00 +ATOM 48 CB ALA A 24 10.204 29.819 7.155 1.00 5.00 +ATOM 49 CA ASN A 25 11.361 28.535 3.107 1.00 5.00 +ATOM 50 CB ASN A 25 13.193 27.699 3.171 1.00 5.00 +ATOM 51 CA PRO A 26 10.628 27.557 -0.517 1.00 5.00 +ATOM 52 CB PRO A 26 11.349 28.734 -0.734 1.00 5.00 +ATOM 53 CA LEU A 27 11.606 24.093 -0.245 1.00 5.00 +ATOM 54 CB LEU A 27 13.053 23.047 -1.244 1.00 5.00 +ATOM 55 CA THR A 28 10.092 23.720 3.245 1.00 5.00 +ATOM 56 CB THR A 28 10.598 23.510 4.766 1.00 5.00 +ATOM 57 CA ALA A 29 6.681 24.666 1.256 1.00 5.00 +ATOM 58 CB ALA A 29 6.177 25.098 1.806 1.00 5.00 +ATOM 59 CA HIS A 30 7.487 21.922 -1.248 1.00 5.00 +ATOM 60 CB HIS A 30 8.865 21.972 -3.531 1.00 5.00 +ATOM 61 CA LEU A 31 8.960 18.792 0.583 1.00 5.00 +ATOM 62 CB LEU A 31 10.131 18.701 2.165 1.00 5.00 +ATOM 63 CA LEU A 32 6.075 18.846 3.127 1.00 5.00 +ATOM 64 CB LEU A 32 6.207 20.365 4.557 1.00 5.00 +ATOM 65 CA ALA A 33 3.987 19.140 0.277 1.00 5.00 +ATOM 66 CB ALA A 33 4.269 19.737 -0.117 1.00 5.00 +ATOM 67 CA GLU A 34 5.452 16.138 -1.464 1.00 5.00 +ATOM 68 CB GLU A 34 7.089 16.885 -3.527 1.00 5.00 +ATOM 69 CA TYR A 35 4.933 14.373 1.976 1.00 5.00 +ATOM 70 CB TYR A 35 4.754 14.268 5.354 1.00 5.00 +ATOM 71 CA ASN A 36 1.274 15.129 1.782 1.00 5.00 +ATOM 72 CB ASN A 36 1.191 16.885 2.817 1.00 5.00 +ATOM 73 CA ARG A 37 0.919 14.073 -1.776 1.00 5.00 +ATOM 74 CB ARG A 37 -1.331 16.383 -3.163 1.00 5.00 +ATOM 75 CA ARG A 38 2.610 10.703 -1.081 1.00 5.00 +ATOM 76 CB ARG A 38 5.703 11.612 -1.994 1.00 5.00 +ATOM 77 CA CYS A 39 0.763 9.926 2.244 1.00 5.00 +ATOM 78 CB CYS A 39 1.400 9.915 3.562 1.00 5.00 +ATOM 79 CA GLN A 40 -2.571 10.744 0.473 1.00 5.00 +ATOM 80 CB GLN A 40 -1.666 12.954 0.333 1.00 5.00 +ATOM 81 CA THR A 41 -2.023 7.509 -1.449 1.00 5.00 +ATOM 82 CB THR A 41 -1.540 7.769 -2.884 1.00 5.00 +ATOM 83 CA GLU A 42 0.331 5.327 0.463 1.00 5.00 +ATOM 84 CB GLU A 42 2.381 6.610 0.563 1.00 5.00 +ATOM 85 CA GLU A 43 1.034 3.661 3.686 1.00 5.00 +ATOM 86 CB GLU A 43 0.553 2.846 6.021 1.00 5.00 +ATOM 87 CA VAL A 44 4.226 5.664 4.946 1.00 5.00 +ATOM 88 CB VAL A 44 4.943 6.980 5.246 1.00 5.00 +ATOM 89 CA LEU A 45 6.059 4.031 7.639 1.00 5.00 +ATOM 90 CB LEU A 45 7.122 2.172 8.068 1.00 5.00 +ATOM 91 CA PRO A 46 6.729 6.341 10.579 1.00 5.00 +ATOM 92 CB PRO A 46 7.683 6.982 9.752 1.00 5.00 +ATOM 93 CA PRO A 47 2.795 6.545 11.618 1.00 5.00 +ATOM 94 CB PRO A 47 3.418 5.601 12.475 1.00 5.00 +ATOM 95 CA ARG A 48 2.685 10.202 11.237 1.00 5.00 +ATOM 96 CB ARG A 48 2.181 11.766 9.254 1.00 5.00 +ATOM 97 CA GLU A 49 2.899 10.466 14.889 1.00 5.00 +ATOM 98 CB GLU A 49 1.130 9.141 15.747 1.00 5.00 +ATOM 99 CA ASP A 50 6.474 8.681 15.165 1.00 5.00 +ATOM 100 CB ASP A 50 7.273 7.033 14.301 1.00 5.00 +ATOM 101 CA VAL A 51 7.716 11.002 12.317 1.00 5.00 +ATOM 102 CB VAL A 51 7.375 11.258 10.829 1.00 5.00 +ATOM 103 CA PHE A 52 9.236 13.340 14.890 1.00 5.00 +ATOM 104 CB PHE A 52 10.049 15.930 13.512 1.00 5.00 +ATOM 105 CA SER A 53 9.848 11.037 17.735 1.00 5.00 +ATOM 106 CB SER A 53 9.679 9.853 18.096 1.00 5.00 +ATOM 107 CA TRP A 54 13.456 12.417 18.377 1.00 5.00 +ATOM 108 CB TRP A 54 14.280 14.778 15.593 1.00 5.00 +ATOM 109 CA THR A 55 11.959 15.787 19.973 1.00 5.00 +ATOM 110 CB THR A 55 11.758 17.032 19.154 1.00 5.00 +ATOM 111 CA ARG A 56 9.740 14.001 22.537 1.00 5.00 +ATOM 112 CB ARG A 56 7.125 13.488 20.516 1.00 5.00 +ATOM 113 CA TYR A 57 12.796 12.352 24.251 1.00 5.00 +ATOM 114 CB TYR A 57 14.944 11.576 21.696 1.00 5.00 +ATOM 115 CA CYS A 58 15.270 15.323 24.815 1.00 5.00 +ATOM 116 CB CYS A 58 16.387 14.840 24.118 1.00 5.00 +ATOM 117 CA THR A 59 15.768 18.715 23.516 1.00 5.00 +ATOM 118 CB THR A 59 15.431 19.575 24.745 1.00 5.00 +ATOM 119 CA PRO A 60 18.601 21.038 21.941 1.00 5.00 +ATOM 120 CB PRO A 60 17.566 21.715 21.230 1.00 5.00 +ATOM 121 CA ASP A 61 19.772 21.538 25.500 1.00 5.00 +ATOM 122 CB ASP A 61 19.787 22.641 27.184 1.00 5.00 +ATOM 123 CA GLU A 62 19.279 17.856 26.214 1.00 5.00 +ATOM 124 CB GLU A 62 17.966 16.723 27.254 1.00 5.00 +ATOM 125 CA VAL A 63 21.942 16.879 23.753 1.00 5.00 +ATOM 126 CB VAL A 63 22.301 16.714 22.328 1.00 5.00 +ATOM 127 CA ARG A 64 25.370 15.255 23.751 1.00 5.00 +ATOM 128 CB ARG A 64 24.853 14.079 26.044 1.00 5.00 +ATOM 129 CA VAL A 65 25.448 12.882 20.742 1.00 5.00 +ATOM 130 CB VAL A 65 25.783 11.604 21.301 1.00 5.00 +ATOM 131 CA VAL A 66 24.044 13.210 17.226 1.00 5.00 +ATOM 132 CB VAL A 66 23.462 14.476 16.544 1.00 5.00 +ATOM 133 CA ILE A 67 24.268 9.693 15.776 1.00 5.00 +ATOM 134 CB ILE A 67 24.487 8.121 16.801 1.00 5.00 +ATOM 135 CA ILE A 68 22.886 9.240 12.011 1.00 5.00 +ATOM 136 CB ILE A 68 23.542 10.339 10.539 1.00 5.00 +ATOM 137 CA GLY A 69 20.789 6.914 9.744 1.00 5.00 +ATOM 138 CA GLN A 70 19.893 6.846 5.988 1.00 5.00 +ATOM 139 CB GLN A 70 22.075 6.529 5.071 1.00 5.00 +ATOM 140 CA ASP A 71 16.165 6.006 6.152 1.00 5.00 +ATOM 141 CB ASP A 71 17.216 4.272 5.976 1.00 5.00 +ATOM 142 CA PRO A 72 13.732 4.944 8.988 1.00 5.00 +ATOM 143 CB PRO A 72 12.911 5.967 8.590 1.00 5.00 +ATOM 144 CA TYR A 73 13.407 1.180 8.176 1.00 5.00 +ATOM 145 CB TYR A 73 14.677 0.520 11.042 1.00 5.00 +ATOM 146 CA HIS A 74 10.603 0.450 6.041 1.00 5.00 +ATOM 147 CB HIS A 74 11.893 -0.862 3.991 1.00 5.00 +ATOM 148 CA HIS A 75 8.591 -2.563 7.037 1.00 5.00 +ATOM 149 CB HIS A 75 10.960 -3.914 6.331 1.00 5.00 +ATOM 150 CA PRO A 76 5.564 -2.557 9.370 1.00 5.00 +ATOM 151 CB PRO A 76 5.291 -3.551 8.461 1.00 5.00 +ATOM 152 CA GLY A 77 6.461 -2.303 13.012 1.00 5.00 +ATOM 153 CA GLN A 78 10.149 -1.432 12.898 1.00 5.00 +ATOM 154 CB GLN A 78 10.517 -1.639 10.588 1.00 5.00 +ATOM 155 CA ALA A 79 11.326 2.327 12.881 1.00 5.00 +ATOM 156 CB ALA A 79 11.257 2.860 12.356 1.00 5.00 +ATOM 157 CA HIS A 80 9.838 4.206 15.570 1.00 5.00 +ATOM 158 CB HIS A 80 10.872 3.695 18.154 1.00 5.00 +ATOM 159 CA GLY A 81 11.176 7.633 14.327 1.00 5.00 +ATOM 160 CA LEU A 82 14.801 7.111 15.384 1.00 5.00 +ATOM 161 CB LEU A 82 14.418 6.674 17.321 1.00 5.00 +ATOM 162 CA ALA A 83 17.386 5.704 12.957 1.00 5.00 +ATOM 163 CB ALA A 83 17.836 5.960 12.413 1.00 5.00 +ATOM 164 CA PHE A 84 18.634 2.290 13.991 1.00 5.00 +ATOM 165 CB PHE A 84 21.388 3.499 13.791 1.00 5.00 +ATOM 166 CA SER A 85 16.364 1.565 16.952 1.00 5.00 +ATOM 167 CB SER A 85 16.109 2.437 17.903 1.00 5.00 +ATOM 168 CA VAL A 86 13.215 -0.582 16.889 1.00 5.00 +ATOM 169 CB VAL A 86 13.858 -1.843 16.721 1.00 5.00 +ATOM 170 CA ARG A 87 9.860 -0.962 18.935 1.00 5.00 +ATOM 171 CB ARG A 87 6.652 -2.299 19.341 1.00 5.00 +ATOM 172 CA ALA A 88 11.123 -3.594 21.495 1.00 5.00 +ATOM 173 CB ALA A 88 11.125 -3.910 22.235 1.00 5.00 +ATOM 174 CA ASN A 89 9.148 -6.571 19.941 1.00 5.00 +ATOM 175 CB ASN A 89 7.256 -6.656 19.867 1.00 5.00 +ATOM 176 CA VAL A 90 11.079 -6.329 16.782 1.00 5.00 +ATOM 177 CB VAL A 90 10.523 -5.213 15.854 1.00 5.00 +ATOM 178 CA PRO A 91 14.394 -8.378 16.316 1.00 5.00 +ATOM 179 CB PRO A 91 13.553 -9.099 15.437 1.00 5.00 +ATOM 180 CA PRO A 92 17.612 -6.257 15.959 1.00 5.00 +ATOM 181 CB PRO A 92 18.333 -7.183 16.748 1.00 5.00 +ATOM 182 CA PRO A 93 18.116 -5.659 12.153 1.00 5.00 +ATOM 183 CB PRO A 93 17.509 -4.498 12.729 1.00 5.00 +ATOM 184 CA PRO A 94 21.772 -6.771 11.543 1.00 5.00 +ATOM 185 CB PRO A 94 21.148 -7.592 10.519 1.00 5.00 +ATOM 186 CA SER A 95 23.120 -3.458 12.241 1.00 5.00 +ATOM 187 CB SER A 95 22.897 -2.672 11.255 1.00 5.00 +ATOM 188 CA LEU A 96 21.383 -2.554 15.460 1.00 5.00 +ATOM 189 CB LEU A 96 19.925 -1.640 15.802 1.00 5.00 +ATOM 190 CA ARG A 97 22.959 -5.689 16.908 1.00 5.00 +ATOM 191 CB ARG A 97 22.420 -8.120 16.552 1.00 5.00 +ATOM 192 CA ASN A 98 26.485 -4.539 15.577 1.00 5.00 +ATOM 193 CB ASN A 98 26.141 -5.246 13.705 1.00 5.00 +ATOM 194 CA VAL A 99 25.852 -1.219 17.398 1.00 5.00 +ATOM 195 CB VAL A 99 25.730 0.163 16.892 1.00 5.00 +ATOM 196 CA LEU A 100 24.659 -3.421 20.311 1.00 5.00 +ATOM 197 CB LEU A 100 22.747 -3.662 21.351 1.00 5.00 +ATOM 198 CA ALA A 101 27.559 -5.505 19.985 1.00 5.00 +ATOM 199 CB ALA A 101 27.929 -5.933 19.443 1.00 5.00 +ATOM 200 CA ALA A 102 30.169 -2.710 19.545 1.00 5.00 +ATOM 201 CB ALA A 102 30.704 -2.178 19.490 1.00 5.00 +ATOM 202 CA VAL A 103 28.783 -1.433 22.595 1.00 5.00 +ATOM 203 CB VAL A 103 27.635 -0.652 22.070 1.00 5.00 +ATOM 204 CA LYS A 104 29.179 -4.573 24.571 1.00 5.00 +ATOM 205 CB LYS A 104 26.315 -5.729 23.793 1.00 5.00 +ATOM 206 CA ASN A 105 32.657 -5.024 23.444 1.00 5.00 +ATOM 207 CB ASN A 105 32.508 -5.406 21.493 1.00 5.00 +ATOM 208 CA CYS A 106 33.175 -1.448 24.937 1.00 5.00 +ATOM 209 CB CYS A 106 33.056 -0.403 24.101 1.00 5.00 +ATOM 210 CA TYR A 107 31.207 -1.870 28.309 1.00 5.00 +ATOM 211 CB TYR A 107 28.527 -0.370 26.874 1.00 5.00 +ATOM 212 CA PRO A 108 31.438 -5.148 29.943 1.00 5.00 +ATOM 213 CB PRO A 108 32.870 -5.091 29.595 1.00 5.00 +ATOM 214 CA GLU A 109 30.402 -3.843 33.244 1.00 5.00 +ATOM 215 CB GLU A 109 30.634 -1.608 34.881 1.00 5.00 +ATOM 216 CA ALA A 110 27.138 -3.325 31.556 1.00 5.00 +ATOM 217 CB ALA A 110 27.100 -2.835 30.972 1.00 5.00 +ATOM 218 CA ARG A 111 25.171 -6.435 30.404 1.00 5.00 +ATOM 219 CB ARG A 111 24.750 -9.243 32.100 1.00 5.00 +ATOM 220 CA MET A 112 22.533 -5.537 27.911 1.00 5.00 +ATOM 221 CB MET A 112 23.700 -3.717 26.625 1.00 5.00 +ATOM 222 CA SER A 113 19.400 -7.499 27.814 1.00 5.00 +ATOM 223 CB SER A 113 18.347 -7.046 28.401 1.00 5.00 +ATOM 224 CA GLY A 114 19.104 -7.648 24.055 1.00 5.00 +ATOM 225 CA HIS A 115 16.478 -5.080 23.684 1.00 5.00 +ATOM 226 CB HIS A 115 18.170 -4.503 25.615 1.00 5.00 +ATOM 227 CA GLY A 116 17.264 -3.087 20.532 1.00 5.00 +ATOM 228 CA CYS A 117 14.852 -0.506 21.882 1.00 5.00 +ATOM 229 CB CYS A 117 14.774 -0.591 23.239 1.00 5.00 +ATOM 230 CA LEU A 118 17.171 2.300 22.018 1.00 5.00 +ATOM 231 CB LEU A 118 18.869 1.925 20.875 1.00 5.00 +ATOM 232 CA GLU A 119 14.499 4.427 23.976 1.00 5.00 +ATOM 233 CB GLU A 119 13.365 3.041 25.354 1.00 5.00 +ATOM 234 CA LYS A 120 16.773 5.149 26.674 1.00 5.00 +ATOM 235 CB LYS A 120 17.175 4.963 29.619 1.00 5.00 +ATOM 236 CA TRP A 121 19.602 6.699 24.795 1.00 5.00 +ATOM 237 CB TRP A 121 21.268 3.877 23.747 1.00 5.00 +ATOM 238 CA ALA A 122 16.823 9.091 23.495 1.00 5.00 +ATOM 239 CB ALA A 122 16.236 8.815 23.214 1.00 5.00 +ATOM 240 CA ARG A 123 16.239 10.026 27.149 1.00 5.00 +ATOM 241 CB ARG A 123 13.805 10.939 27.867 1.00 5.00 +ATOM 242 CA ASP A 124 20.017 10.284 27.762 1.00 5.00 +ATOM 243 CB ASP A 124 21.549 8.889 28.053 1.00 5.00 +ATOM 244 CA GLY A 125 20.640 12.726 25.013 1.00 5.00 +ATOM 245 CA VAL A 126 21.735 11.106 21.735 1.00 5.00 +ATOM 246 CB VAL A 126 21.709 9.588 21.628 1.00 5.00 +ATOM 247 CA LEU A 127 20.059 12.634 18.753 1.00 5.00 +ATOM 248 CB LEU A 127 19.171 14.474 18.992 1.00 5.00 +ATOM 249 CA LEU A 128 19.673 9.537 16.701 1.00 5.00 +ATOM 250 CB LEU A 128 19.644 7.538 17.061 1.00 5.00 +ATOM 251 CA LEU A 129 18.275 11.476 13.445 1.00 5.00 +ATOM 252 CB LEU A 129 18.825 13.543 13.851 1.00 5.00 +ATOM 253 CA ASN A 130 17.456 9.960 10.232 1.00 5.00 +ATOM 254 CB ASN A 130 15.995 8.656 10.935 1.00 5.00 +ATOM 255 CA THR A 131 18.497 11.752 7.181 1.00 5.00 +ATOM 256 CB THR A 131 19.893 11.690 6.682 1.00 5.00 +ATOM 257 CA THR A 132 15.683 10.298 4.999 1.00 5.00 +ATOM 258 CB THR A 132 15.455 9.296 4.001 1.00 5.00 +ATOM 259 CA LEU A 133 12.872 10.789 7.466 1.00 5.00 +ATOM 260 CB LEU A 133 12.830 12.643 8.518 1.00 5.00 +ATOM 261 CA THR A 134 10.270 8.998 5.228 1.00 5.00 +ATOM 262 CB THR A 134 11.035 9.841 4.176 1.00 5.00 +ATOM 263 CA VAL A 135 10.041 5.440 3.916 1.00 5.00 +ATOM 264 CB VAL A 135 11.253 4.457 4.231 1.00 5.00 +ATOM 265 CA LYS A 136 7.481 3.440 2.148 1.00 5.00 +ATOM 266 CB LYS A 136 6.096 4.426 -0.342 1.00 5.00 +ATOM 267 CA ARG A 137 5.372 0.645 3.687 1.00 5.00 +ATOM 268 CB ARG A 137 3.316 0.047 6.380 1.00 5.00 +ATOM 269 CA GLY A 138 7.512 -1.857 1.601 1.00 5.00 +ATOM 270 CA ALA A 139 9.899 0.671 -0.782 1.00 5.00 +ATOM 271 CB ALA A 139 9.413 1.137 -1.221 1.00 5.00 +ATOM 272 CA ALA A 140 13.530 1.268 0.228 1.00 5.00 +ATOM 273 CB ALA A 140 14.086 0.809 0.383 1.00 5.00 +ATOM 274 CA ALA A 141 14.016 4.915 -0.391 1.00 5.00 +ATOM 275 CB ALA A 141 14.471 5.187 -0.951 1.00 5.00 +ATOM 276 CA SER A 142 10.970 6.104 -2.159 1.00 5.00 +ATOM 277 CB SER A 142 10.018 5.578 -2.828 1.00 5.00 +ATOM 278 CA HIS A 143 11.406 9.487 -0.324 1.00 5.00 +ATOM 279 CB HIS A 143 8.856 10.032 0.353 1.00 5.00 +ATOM 280 CA SER A 144 15.229 10.153 -0.178 1.00 5.00 +ATOM 281 CB SER A 144 16.086 9.189 -0.391 1.00 5.00 +ATOM 282 CA ARG A 145 14.747 12.984 -2.651 1.00 5.00 +ATOM 283 CB ARG A 145 17.551 11.588 -4.125 1.00 5.00 +ATOM 284 CA ILE A 146 11.369 14.445 -1.435 1.00 5.00 +ATOM 285 CB ILE A 146 9.868 14.171 -0.294 1.00 5.00 +ATOM 286 CA GLY A 147 13.722 16.965 0.473 1.00 5.00 +ATOM 287 CA TRP A 148 13.779 15.615 3.984 1.00 5.00 +ATOM 288 CB TRP A 148 10.736 13.866 4.463 1.00 5.00 +ATOM 289 CA ASP A 149 17.502 15.734 4.336 1.00 5.00 +ATOM 290 CB ASP A 149 17.039 15.333 2.446 1.00 5.00 +ATOM 291 CA ARG A 150 17.519 19.447 3.516 1.00 5.00 +ATOM 292 CB ARG A 150 15.191 20.615 2.819 1.00 5.00 +ATOM 293 CA PHE A 151 15.150 19.842 6.530 1.00 5.00 +ATOM 294 CB PHE A 151 12.489 19.733 7.981 1.00 5.00 +ATOM 295 CA VAL A 152 17.022 17.392 8.690 1.00 5.00 +ATOM 296 CB VAL A 152 16.939 16.100 9.308 1.00 5.00 +ATOM 297 CA GLY A 153 20.338 18.726 7.660 1.00 5.00 +ATOM 298 CA GLY A 154 19.595 22.427 7.963 1.00 5.00 +ATOM 299 CA VAL A 155 18.615 21.600 11.792 1.00 5.00 +ATOM 300 CB VAL A 155 17.255 20.939 11.859 1.00 5.00 +ATOM 301 CA ILE A 156 21.832 19.748 12.500 1.00 5.00 +ATOM 302 CB ILE A 156 21.854 18.301 11.613 1.00 5.00 +ATOM 303 CA ARG A 157 23.828 22.848 11.622 1.00 5.00 +ATOM 304 CB ARG A 157 25.775 25.295 9.834 1.00 5.00 +ATOM 305 CA ARG A 158 21.588 24.757 14.016 1.00 5.00 +ATOM 306 CB ARG A 158 19.437 25.349 12.131 1.00 5.00 +ATOM 307 CA LEU A 159 21.975 22.625 16.972 1.00 5.00 +ATOM 308 CB LEU A 159 21.395 20.730 17.801 1.00 5.00 +ATOM 309 CA ALA A 160 25.646 22.408 16.320 1.00 5.00 +ATOM 310 CB ALA A 160 25.633 22.299 15.580 1.00 5.00 +ATOM 311 CA ALA A 161 25.916 26.094 16.165 1.00 5.00 +ATOM 312 CB ALA A 161 25.409 26.351 15.657 1.00 5.00 +ATOM 313 CA ARG A 162 23.719 26.629 19.109 1.00 5.00 +ATOM 314 CB ARG A 162 20.422 25.866 20.580 1.00 5.00 +ATOM 315 CA ARG A 163 25.452 23.666 21.007 1.00 5.00 +ATOM 316 CB ARG A 163 24.756 21.176 23.624 1.00 5.00 +ATOM 317 CA PRO A 164 29.334 23.571 20.907 1.00 5.00 +ATOM 318 CB PRO A 164 29.178 24.503 21.992 1.00 5.00 +ATOM 319 CA GLY A 165 30.096 20.150 22.315 1.00 5.00 +ATOM 320 CA LEU A 166 28.545 17.314 20.826 1.00 5.00 +ATOM 321 CB LEU A 166 26.888 17.767 19.597 1.00 5.00 +ATOM 322 CA VAL A 167 30.151 14.217 19.636 1.00 5.00 +ATOM 323 CB VAL A 167 30.120 13.302 20.877 1.00 5.00 +ATOM 324 CA PHE A 168 29.085 13.557 15.880 1.00 5.00 +ATOM 325 CB PHE A 168 27.387 15.827 14.841 1.00 5.00 +ATOM 326 CA MET A 169 28.644 9.846 15.326 1.00 5.00 +ATOM 327 CB MET A 169 29.071 8.998 17.710 1.00 5.00 +ATOM 328 CA LEU A 170 28.901 9.803 11.432 1.00 5.00 +ATOM 329 CB LEU A 170 29.849 11.601 11.013 1.00 5.00 +ATOM 330 CA TRP A 171 29.243 6.352 10.198 1.00 5.00 +ATOM 331 CB TRP A 171 28.492 5.429 13.320 1.00 5.00 +ATOM 332 CA GLY A 172 29.480 5.564 6.541 1.00 5.00 +ATOM 333 CA THR A 173 30.548 7.201 3.301 1.00 5.00 +ATOM 334 CB THR A 173 31.732 6.684 2.570 1.00 5.00 +ATOM 335 CA HIS A 174 27.051 8.616 2.792 1.00 5.00 +ATOM 336 CB HIS A 174 24.287 9.039 2.255 1.00 5.00 +ATOM 337 CA ALA A 175 26.758 9.933 6.150 1.00 5.00 +ATOM 338 CB ALA A 175 26.423 9.311 6.441 1.00 5.00 +ATOM 339 CA GLN A 176 30.220 11.289 6.526 1.00 5.00 +ATOM 340 CB GLN A 176 31.749 9.523 7.260 1.00 5.00 +ATOM 341 CA ASN A 177 30.007 13.572 3.628 1.00 5.00 +ATOM 342 CB ASN A 177 31.584 14.071 2.636 1.00 5.00 +ATOM 343 CA ALA A 178 26.318 14.229 4.163 1.00 5.00 +ATOM 344 CB ALA A 178 25.793 13.624 4.148 1.00 5.00 +ATOM 345 CA ILE A 179 27.214 15.810 7.420 1.00 5.00 +ATOM 346 CB ILE A 179 26.657 15.124 9.120 1.00 5.00 +ATOM 347 CA ARG A 180 30.365 18.028 7.523 1.00 5.00 +ATOM 348 CB ARG A 180 33.838 18.889 7.133 1.00 5.00 +ATOM 349 CA PRO A 181 30.078 19.701 11.018 1.00 5.00 +ATOM 350 CB PRO A 181 30.153 18.239 10.925 1.00 5.00 +ATOM 351 CA ASP A 182 32.685 22.224 12.534 1.00 5.00 +ATOM 352 CB ASP A 182 31.239 22.851 14.031 1.00 5.00 +ATOM 353 CA PRO A 183 35.722 19.927 13.380 1.00 5.00 +ATOM 354 CB PRO A 183 36.061 20.001 12.004 1.00 5.00 +ATOM 355 CA ARG A 184 37.317 22.276 15.914 1.00 5.00 +ATOM 356 CB ARG A 184 40.224 22.833 14.622 1.00 5.00 +ATOM 357 CA VAL A 185 34.057 22.664 17.854 1.00 5.00 +ATOM 358 CB VAL A 185 33.669 23.824 18.620 1.00 5.00 +ATOM 359 CA HIS A 186 32.841 19.123 17.884 1.00 5.00 +ATOM 360 CB HIS A 186 30.613 20.639 17.953 1.00 5.00 +ATOM 361 CA CYS A 187 34.021 15.408 18.425 1.00 5.00 +ATOM 362 CB CYS A 187 34.608 14.498 19.315 1.00 5.00 +ATOM 363 CA VAL A 188 33.087 14.230 14.965 1.00 5.00 +ATOM 364 CB VAL A 188 33.420 14.989 13.702 1.00 5.00 +ATOM 365 CA LEU A 189 33.953 10.323 14.977 1.00 5.00 +ATOM 366 CB LEU A 189 33.780 10.039 17.044 1.00 5.00 +ATOM 367 CA LYS A 190 33.794 8.720 11.472 1.00 5.00 +ATOM 368 CB LYS A 190 36.539 9.707 11.556 1.00 5.00 +ATOM 369 CA PHE A 191 33.881 5.020 10.754 1.00 5.00 +ATOM 370 CB PHE A 191 35.164 3.264 12.654 1.00 5.00 +ATOM 371 CA SER A 192 32.637 2.315 8.315 1.00 5.00 +ATOM 372 CB SER A 192 33.901 2.324 7.814 1.00 5.00 +ATOM 373 CA HIS A 193 28.899 1.412 8.951 1.00 5.00 +ATOM 374 CB HIS A 193 27.121 3.405 8.658 1.00 5.00 +ATOM 375 CA PRO A 194 27.455 -1.206 11.324 1.00 5.00 +ATOM 376 CB PRO A 194 26.583 -0.103 11.601 1.00 5.00 +ATOM 377 CA SER A 195 26.556 -3.710 8.670 1.00 5.00 +ATOM 378 CB SER A 195 26.621 -2.783 7.775 1.00 5.00 +ATOM 379 CA PRO A 196 28.171 -7.022 8.074 1.00 5.00 +ATOM 380 CB PRO A 196 27.036 -7.372 8.849 1.00 5.00 +ATOM 381 CA LEU A 197 29.828 -6.079 4.727 1.00 5.00 +ATOM 382 CB LEU A 197 29.883 -6.166 2.719 1.00 5.00 +ATOM 383 CA SER A 198 32.229 -3.081 5.583 1.00 5.00 +ATOM 384 CB SER A 198 31.369 -2.547 6.449 1.00 5.00 +ATOM 385 CA LYS A 199 35.912 -3.217 6.064 1.00 5.00 +ATOM 386 CB LYS A 199 38.846 -2.261 5.606 1.00 5.00 +ATOM 387 CA VAL A 200 36.664 -3.942 9.738 1.00 5.00 +ATOM 388 CB VAL A 200 36.043 -2.650 10.070 1.00 5.00 +ATOM 389 CA PRO A 201 34.681 -5.994 12.370 1.00 5.00 +ATOM 390 CB PRO A 201 35.872 -6.485 13.003 1.00 5.00 +ATOM 391 CA PHE A 202 32.129 -3.112 13.343 1.00 5.00 +ATOM 392 CB PHE A 202 31.326 -0.465 12.365 1.00 5.00 +ATOM 393 CA GLY A 203 32.776 -4.716 16.680 1.00 5.00 +ATOM 394 CA THR A 204 36.237 -2.692 16.957 1.00 5.00 +ATOM 395 CB THR A 204 36.685 -2.431 15.631 1.00 5.00 +ATOM 396 CA CYS A 205 34.562 0.812 17.603 1.00 5.00 +ATOM 397 CB CYS A 205 33.216 1.200 17.075 1.00 5.00 +ATOM 398 CA GLN A 206 35.230 2.536 20.890 1.00 5.00 +ATOM 399 CB GLN A 206 37.591 2.735 20.054 1.00 5.00 +ATOM 400 CA HIS A 207 33.793 5.732 20.018 1.00 5.00 +ATOM 401 CB HIS A 207 32.758 5.527 17.548 1.00 5.00 +ATOM 402 CA PHE A 208 31.547 5.121 23.237 1.00 5.00 +ATOM 403 CB PHE A 208 29.890 3.716 21.171 1.00 5.00 +ATOM 404 CA LEU A 209 34.751 5.166 25.357 1.00 5.00 +ATOM 405 CB LEU A 209 34.836 3.635 26.811 1.00 5.00 +ATOM 406 CA VAL A 210 36.145 8.103 23.417 1.00 5.00 +ATOM 407 CB VAL A 210 36.458 7.922 21.949 1.00 5.00 +ATOM 408 CA ALA A 211 32.702 9.609 23.260 1.00 5.00 +ATOM 409 CB ALA A 211 32.413 8.887 23.005 1.00 5.00 +ATOM 410 CA ASN A 212 32.707 8.914 27.114 1.00 5.00 +ATOM 411 CB ASN A 212 31.175 7.793 27.758 1.00 5.00 +ATOM 412 CA ARG A 213 36.185 10.554 28.007 1.00 5.00 +ATOM 413 CB ARG A 213 38.616 9.382 25.827 1.00 5.00 +ATOM 414 CA TYR A 214 35.116 13.460 25.814 1.00 5.00 +ATOM 415 CB TYR A 214 33.889 15.764 23.820 1.00 5.00 +ATOM 416 CA LEU A 215 32.134 13.850 28.096 1.00 5.00 +ATOM 417 CB LEU A 215 30.418 13.297 27.107 1.00 5.00 +ATOM 418 CA GLU A 216 34.139 13.364 31.134 1.00 5.00 +ATOM 419 CB GLU A 216 33.389 12.095 33.084 1.00 5.00 +ATOM 420 CA THR A 217 36.426 16.123 30.016 1.00 5.00 +ATOM 421 CB THR A 217 37.231 15.479 28.912 1.00 5.00 +ATOM 422 CA ARG A 218 33.758 18.698 29.188 1.00 5.00 +ATOM 423 CB ARG A 218 32.215 19.882 27.190 1.00 5.00 +ATOM 424 CA SER A 219 32.112 18.714 32.630 1.00 5.00 +ATOM 425 CB SER A 219 32.160 20.009 33.042 1.00 5.00 +ATOM 426 CA ILE A 220 29.175 16.901 31.045 1.00 5.00 +ATOM 427 CB ILE A 220 28.904 17.506 29.472 1.00 5.00 +ATOM 428 CA SER A 221 28.282 13.280 32.384 1.00 5.00 +ATOM 429 CB SER A 221 27.067 13.377 32.754 1.00 5.00 +ATOM 430 CA PRO A 222 28.879 10.176 30.436 1.00 5.00 +ATOM 431 CB PRO A 222 29.607 9.997 31.682 1.00 5.00 +ATOM 432 CA ILE A 223 25.997 8.974 28.373 1.00 5.00 +ATOM 433 CB ILE A 223 26.981 8.761 26.738 1.00 5.00 +ATOM 434 CA ASP A 224 25.373 5.449 29.950 1.00 5.00 +ATOM 435 CB ASP A 224 23.678 4.597 30.793 1.00 5.00 +ATOM 436 CA TRP A 225 25.181 3.293 26.984 1.00 5.00 +ATOM 437 CB TRP A 225 26.102 5.256 23.793 1.00 5.00 +ATOM 438 CA SER A 226 23.966 -0.016 28.224 1.00 5.00 +ATOM 439 CB SER A 226 24.165 0.015 29.539 1.00 5.00 +ATOM 440 CA VAL A 227 20.335 -0.281 27.219 1.00 5.00 +ATOM 441 CB VAL A 227 19.323 0.543 26.628 1.00 5.00 TER TER -ATOM 442 CA THR C 1 -9.243 -19.687 -2.182 1.00 5.00 -ATOM 443 CB THR C 1 -10.555 -18.884 -2.190 1.00 5.00 -ATOM 444 CA ASN C 2 -5.654 -19.999 -1.316 1.00 5.00 -ATOM 445 CB ASN C 2 -4.844 -20.476 -3.088 1.00 5.00 -ATOM 446 CA LEU C 3 -5.785 -16.270 -0.408 1.00 5.00 -ATOM 447 CB LEU C 3 -4.747 -16.177 -1.888 1.00 5.00 -ATOM 448 CA SER C 4 -8.608 -16.297 2.232 1.00 5.00 -ATOM 449 CB SER C 4 -9.628 -16.398 2.990 1.00 5.00 -ATOM 450 CA ASP C 5 -5.840 -17.807 4.100 1.00 5.00 -ATOM 451 CB ASP C 5 -4.811 -19.113 2.905 1.00 5.00 -ATOM 452 CA ILE C 6 -3.274 -15.109 3.726 1.00 5.00 -ATOM 453 CB ILE C 6 -3.020 -14.122 2.106 1.00 5.00 -ATOM 454 CA ILE C 7 -5.963 -12.936 5.632 1.00 5.00 -ATOM 455 CB ILE C 7 -7.479 -12.396 4.612 1.00 5.00 -ATOM 456 CA GLU C 8 -5.127 -15.386 8.405 1.00 5.00 -ATOM 457 CB GLU C 8 -4.614 -17.759 8.815 1.00 5.00 -ATOM 458 CA LYS C 9 -1.464 -14.410 7.907 1.00 5.00 -ATOM 459 CB LYS C 9 0.419 -15.206 5.649 1.00 5.00 -ATOM 460 CA GLU C 10 -2.464 -10.671 7.514 1.00 5.00 -ATOM 461 CB GLU C 10 -3.786 -8.931 6.811 1.00 5.00 -ATOM 462 CA THR C 11 -4.339 -9.946 10.739 1.00 5.00 -ATOM 463 CB THR C 11 -5.494 -9.283 10.340 1.00 5.00 -ATOM 464 CA GLY C 12 -4.639 -13.110 12.710 1.00 5.00 -ATOM 465 CA LYS C 13 -8.164 -14.537 11.840 1.00 5.00 -ATOM 466 CB LYS C 13 -10.147 -14.411 13.353 1.00 5.00 -ATOM 467 CA GLN C 14 -9.577 -17.121 9.568 1.00 5.00 -ATOM 468 CB GLN C 14 -10.053 -17.943 12.134 1.00 5.00 -ATOM 469 CA LEU C 15 -11.593 -14.236 7.832 1.00 5.00 -ATOM 470 CB LEU C 15 -10.682 -12.818 8.899 1.00 5.00 -ATOM 471 CA VAL C 16 -14.197 -15.703 5.340 1.00 5.00 -ATOM 472 CB VAL C 16 -15.084 -16.851 5.466 1.00 5.00 -ATOM 473 CA ILE C 17 -14.363 -13.469 2.341 1.00 5.00 -ATOM 474 CB ILE C 17 -12.999 -14.117 1.156 1.00 5.00 -ATOM 475 CA GLN C 18 -17.666 -12.335 1.296 1.00 5.00 -ATOM 476 CB GLN C 18 -17.016 -9.892 2.286 1.00 5.00 -ATOM 477 CA GLU C 19 -17.012 -11.534 -2.528 1.00 5.00 -ATOM 478 CB GLU C 19 -17.400 -8.766 -2.904 1.00 5.00 -ATOM 479 CA SER C 20 -14.631 -10.427 -5.296 1.00 5.00 -ATOM 480 CB SER C 20 -13.815 -11.488 -5.422 1.00 5.00 -ATOM 481 CA ILE C 21 -15.218 -6.936 -6.838 1.00 5.00 -ATOM 482 CB ILE C 21 -16.768 -5.898 -6.475 1.00 5.00 -ATOM 483 CA LEU C 22 -13.153 -6.712 -9.924 1.00 5.00 -ATOM 484 CB LEU C 22 -12.959 -7.424 -11.810 1.00 5.00 -ATOM 485 CA MET C 23 -11.269 -3.384 -9.775 1.00 5.00 -ATOM 486 CB MET C 23 -11.569 -2.329 -7.776 1.00 5.00 -ATOM 487 CA LEU C 24 -9.620 -1.244 -12.393 1.00 5.00 -ATOM 488 CB LEU C 24 -10.727 0.029 -13.736 1.00 5.00 -ATOM 489 CA PRO C 25 -6.057 0.539 -12.403 1.00 5.00 -ATOM 490 CB PRO C 25 -6.014 0.054 -13.691 1.00 5.00 -ATOM 491 CA GLU C 26 -7.013 4.154 -12.108 1.00 5.00 -ATOM 492 CB GLU C 26 -7.043 6.014 -13.662 1.00 5.00 -ATOM 493 CA GLU C 27 -9.470 3.380 -9.142 1.00 5.00 -ATOM 494 CB GLU C 27 -11.725 1.903 -9.187 1.00 5.00 -ATOM 495 CA VAL C 28 -6.696 1.394 -7.406 1.00 5.00 -ATOM 496 CB VAL C 28 -6.604 0.158 -8.296 1.00 5.00 -ATOM 497 CA GLU C 29 -4.708 4.578 -7.965 1.00 5.00 -ATOM 498 CB GLU C 29 -2.402 5.155 -8.584 1.00 5.00 -ATOM 499 CA GLU C 30 -7.295 6.583 -5.711 1.00 5.00 -ATOM 500 CB GLU C 30 -8.644 8.302 -4.746 1.00 5.00 -ATOM 501 CA VAL C 31 -6.941 4.157 -3.170 1.00 5.00 -ATOM 502 CB VAL C 31 -7.794 3.032 -3.378 1.00 5.00 -ATOM 503 CA ILE C 32 -3.413 2.357 -2.324 1.00 5.00 -ATOM 504 CB ILE C 32 -3.339 0.629 -3.210 1.00 5.00 -ATOM 505 CA GLY C 33 -1.120 5.038 -3.641 1.00 5.00 -ATOM 506 CA ASN C 34 -0.439 2.723 -6.702 1.00 5.00 -ATOM 507 CB ASN C 34 0.523 1.284 -5.740 1.00 5.00 -ATOM 508 CA LYS C 35 -1.383 1.656 -10.246 1.00 5.00 -ATOM 509 CB LYS C 35 -0.891 3.019 -12.932 1.00 5.00 -ATOM 510 CA PRO C 36 -0.832 -2.168 -9.799 1.00 5.00 -ATOM 511 CB PRO C 36 -1.795 -1.851 -8.784 1.00 5.00 -ATOM 512 CA GLU C 37 0.172 -4.069 -12.922 1.00 5.00 -ATOM 513 CB GLU C 37 2.681 -3.146 -13.751 1.00 5.00 -ATOM 514 CA SER C 38 -3.146 -5.557 -14.063 1.00 5.00 -ATOM 515 CB SER C 38 -3.265 -6.501 -13.081 1.00 5.00 -ATOM 516 CA ASP C 39 -6.916 -4.954 -13.421 1.00 5.00 -ATOM 517 CB ASP C 39 -7.705 -3.911 -15.132 1.00 5.00 -ATOM 518 CA ILE C 40 -7.603 -6.335 -10.063 1.00 5.00 -ATOM 519 CB ILE C 40 -6.711 -5.662 -8.789 1.00 5.00 -ATOM 520 CA LEU C 41 -9.941 -8.576 -7.974 1.00 5.00 -ATOM 521 CB LEU C 41 -9.098 -10.390 -8.596 1.00 5.00 -ATOM 522 CA VAL C 42 -10.882 -6.897 -4.623 1.00 5.00 -ATOM 523 CB VAL C 42 -11.960 -5.941 -4.086 1.00 5.00 -ATOM 524 CA HIS C 43 -11.585 -9.756 -1.932 1.00 5.00 -ATOM 525 CB HIS C 43 -10.245 -11.577 -3.450 1.00 5.00 -ATOM 526 CA THR C 44 -13.620 -7.996 0.658 1.00 5.00 -ATOM 527 CB THR C 44 -14.406 -6.731 0.732 1.00 5.00 -ATOM 528 CA ALA C 45 -14.180 -9.849 4.181 1.00 5.00 -ATOM 529 CB ALA C 45 -13.404 -10.247 4.184 1.00 5.00 -ATOM 530 CA TYR C 46 -15.901 -8.122 7.216 1.00 5.00 -ATOM 531 CB TYR C 46 -19.220 -7.662 6.503 1.00 5.00 -ATOM 532 CA ASP C 47 -14.114 -8.705 10.674 1.00 5.00 -ATOM 533 CB ASP C 47 -12.839 -9.650 12.065 1.00 5.00 -ATOM 534 CA GLU C 48 -17.125 -8.079 12.771 1.00 5.00 -ATOM 535 CB GLU C 48 -19.002 -6.431 12.202 1.00 5.00 -ATOM 536 CA SER C 49 -16.291 -7.190 16.504 1.00 5.00 -ATOM 537 CB SER C 49 -15.227 -7.565 17.141 1.00 5.00 -ATOM 538 CA THR C 50 -14.327 -4.049 15.773 1.00 5.00 -ATOM 539 CB THR C 50 -13.079 -4.173 15.163 1.00 5.00 -ATOM 540 CA ASP C 51 -16.206 -3.245 12.481 1.00 5.00 -ATOM 541 CB ASP C 51 -17.684 -2.338 13.492 1.00 5.00 -ATOM 542 CA GLU C 52 -12.933 -3.575 10.672 1.00 5.00 -ATOM 543 CB GLU C 52 -10.411 -5.033 10.769 1.00 5.00 -ATOM 544 CA ASN C 53 -13.329 -3.833 6.891 1.00 5.00 -ATOM 545 CB ASN C 53 -14.125 -3.078 5.292 1.00 5.00 -ATOM 546 CA VAL C 54 -10.545 -6.348 5.573 1.00 5.00 -ATOM 547 CB VAL C 54 -10.956 -7.332 6.541 1.00 5.00 -ATOM 548 CA MET C 55 -9.844 -5.742 1.912 1.00 5.00 -ATOM 549 CB MET C 55 -10.519 -3.749 0.621 1.00 5.00 -ATOM 550 CA LEU C 56 -7.632 -8.461 0.304 1.00 5.00 -ATOM 551 CB LEU C 56 -6.985 -10.134 0.021 1.00 5.00 -ATOM 552 CA LEU C 57 -6.893 -6.863 -3.087 1.00 5.00 -ATOM 553 CB LEU C 57 -7.229 -4.776 -3.270 1.00 5.00 -ATOM 554 CA THR C 58 -5.556 -9.250 -5.797 1.00 5.00 -ATOM 555 CB THR C 58 -5.262 -10.639 -5.474 1.00 5.00 -ATOM 556 CA SER C 59 -4.762 -9.494 -9.542 1.00 5.00 -ATOM 557 CB SER C 59 -3.645 -10.106 -9.790 1.00 5.00 -ATOM 558 CA ASP C 60 -7.194 -11.352 -11.890 1.00 5.00 -ATOM 559 CB ASP C 60 -7.424 -9.747 -13.065 1.00 5.00 -ATOM 560 CA ALA C 61 -9.050 -14.490 -12.346 1.00 5.00 -ATOM 561 CB ALA C 61 -9.841 -14.538 -12.480 1.00 5.00 -ATOM 562 CA PRO C 62 -6.383 -16.923 -13.609 1.00 5.00 -ATOM 563 CB PRO C 62 -7.073 -16.272 -14.652 1.00 5.00 -ATOM 564 CA GLU C 63 -3.079 -15.471 -11.781 1.00 5.00 -ATOM 565 CB GLU C 63 -2.227 -12.976 -12.621 1.00 5.00 -ATOM 566 CA TYR C 64 -3.934 -14.907 -8.235 1.00 5.00 -ATOM 567 CB TYR C 64 -6.387 -16.828 -6.720 1.00 5.00 -ATOM 568 CA LYS C 65 -1.111 -12.605 -7.292 1.00 5.00 -ATOM 569 CB LYS C 65 1.378 -12.207 -8.064 1.00 5.00 -ATOM 570 CA PRO C 66 -1.015 -11.237 -3.634 1.00 5.00 -ATOM 571 CB PRO C 66 0.117 -12.059 -3.582 1.00 5.00 -ATOM 572 CA TRP C 67 -1.059 -7.168 -4.096 1.00 5.00 -ATOM 573 CB TRP C 67 1.849 -6.074 -5.597 1.00 5.00 -ATOM 574 CA ALA C 68 -2.747 -4.894 -1.191 1.00 5.00 -ATOM 575 CB ALA C 68 -3.365 -4.509 -1.073 1.00 5.00 -ATOM 576 CA LEU C 69 -4.000 -5.646 2.255 1.00 5.00 -ATOM 577 CB LEU C 69 -3.381 -7.596 2.718 1.00 5.00 -ATOM 578 CA VAL C 70 -6.186 -2.733 2.698 1.00 5.00 -ATOM 579 CB VAL C 70 -6.577 -1.898 1.504 1.00 5.00 -ATOM 580 CA ILE C 71 -7.773 -2.692 6.312 1.00 5.00 -ATOM 581 CB ILE C 71 -6.887 -3.481 7.900 1.00 5.00 -ATOM 582 CA GLN C 72 -10.757 -0.365 6.162 1.00 5.00 -ATOM 583 CB GLN C 72 -10.200 0.658 3.693 1.00 5.00 -ATOM 584 CA ASP C 73 -11.857 0.790 9.799 1.00 5.00 -ATOM 585 CB ASP C 73 -10.280 0.315 10.989 1.00 5.00 -ATOM 586 CA SER C 74 -15.328 2.145 11.011 1.00 5.00 -ATOM 587 CB SER C 74 -15.065 1.215 11.956 1.00 5.00 -ATOM 588 CA ASN C 75 -14.771 5.915 10.447 1.00 5.00 -ATOM 589 CB ASN C 75 -13.132 6.872 10.995 1.00 5.00 -ATOM 590 CA GLY C 76 -13.964 5.237 6.915 1.00 5.00 -ATOM 591 CA GLU C 77 -9.962 5.044 7.973 1.00 5.00 -ATOM 592 CB GLU C 77 -9.701 4.754 10.411 1.00 5.00 -ATOM 593 CA ASN C 78 -8.119 2.890 5.565 1.00 5.00 -ATOM 594 CB ASN C 78 -7.077 3.249 3.924 1.00 5.00 -ATOM 595 CA LYS C 79 -5.202 0.823 6.613 1.00 5.00 -ATOM 596 CB LYS C 79 -4.477 -0.352 9.331 1.00 5.00 -ATOM 597 CA ILE C 80 -3.282 -0.097 3.510 1.00 5.00 -ATOM 598 CB ILE C 80 -2.003 0.404 2.172 1.00 5.00 -ATOM 599 CA LYS C 81 -0.667 -2.796 3.969 1.00 5.00 -ATOM 600 CB LYS C 81 -1.473 -4.027 6.296 1.00 5.00 -ATOM 601 CA MET C 82 0.933 -3.145 0.416 1.00 5.00 -ATOM 602 CB MET C 82 0.401 -2.964 -1.752 1.00 5.00 -ATOM 603 CA LEU C 83 2.364 -6.693 0.544 1.00 5.00 -ATOM 604 CB LEU C 83 0.766 -7.609 -0.419 1.00 5.00 +ATOM 442 CA THR C 1 30.356 5.819 -15.313 1.00 5.00 +ATOM 443 CB THR C 1 29.429 6.853 -14.716 1.00 5.00 +ATOM 444 CA ASN C 2 29.464 2.184 -14.976 1.00 5.00 +ATOM 445 CB ASN C 2 31.281 1.632 -15.799 1.00 5.00 +ATOM 446 CA LEU C 3 26.880 2.563 -12.249 1.00 5.00 +ATOM 447 CB LEU C 3 27.692 1.443 -10.501 1.00 5.00 +ATOM 448 CA SER C 4 25.361 5.298 -14.335 1.00 5.00 +ATOM 449 CB SER C 4 24.963 6.344 -13.730 1.00 5.00 +ATOM 450 CA ASP C 5 25.700 3.429 -17.440 1.00 5.00 +ATOM 451 CB ASP C 5 27.629 3.168 -18.230 1.00 5.00 +ATOM 452 CA ILE C 6 23.823 0.238 -15.890 1.00 5.00 +ATOM 453 CB ILE C 6 23.738 -0.232 -14.098 1.00 5.00 +ATOM 454 CA ILE C 7 20.885 2.654 -15.890 1.00 5.00 +ATOM 455 CB ILE C 7 21.085 4.103 -14.591 1.00 5.00 +ATOM 456 CA GLU C 8 21.808 3.794 -19.266 1.00 5.00 +ATOM 457 CB GLU C 8 22.308 6.268 -18.924 1.00 5.00 +ATOM 458 CA LYS C 9 21.702 0.326 -21.193 1.00 5.00 +ATOM 459 CB LYS C 9 23.775 -0.667 -23.250 1.00 5.00 +ATOM 460 CA GLU C 10 18.945 -1.249 -18.806 1.00 5.00 +ATOM 461 CB GLU C 10 18.147 -2.626 -17.032 1.00 5.00 +ATOM 462 CA THR C 11 16.169 1.470 -19.283 1.00 5.00 +ATOM 463 CB THR C 11 15.870 1.462 -17.819 1.00 5.00 +ATOM 464 CA GLY C 12 17.222 3.939 -22.214 1.00 5.00 +ATOM 465 CA LYS C 13 17.786 7.018 -20.078 1.00 5.00 +ATOM 466 CB LYS C 13 15.519 6.367 -18.395 1.00 5.00 +ATOM 467 CA GLN C 14 20.068 9.874 -18.831 1.00 5.00 +ATOM 468 CB GLN C 14 21.419 11.387 -20.290 1.00 5.00 +ATOM 469 CA LEU C 15 20.000 8.941 -14.879 1.00 5.00 +ATOM 470 CB LEU C 15 18.101 8.030 -14.297 1.00 5.00 +ATOM 471 CA VAL C 16 22.597 10.587 -12.558 1.00 5.00 +ATOM 472 CB VAL C 16 23.620 11.595 -12.800 1.00 5.00 +ATOM 473 CA ILE C 17 22.914 8.795 -9.073 1.00 5.00 +ATOM 474 CB ILE C 17 24.789 8.254 -8.866 1.00 5.00 +ATOM 475 CA GLN C 18 20.831 11.331 -7.010 1.00 5.00 +ATOM 476 CB GLN C 18 19.507 11.868 -9.308 1.00 5.00 +ATOM 477 CA GLU C 19 21.468 9.346 -3.849 1.00 5.00 +ATOM 478 CB GLU C 19 20.474 8.392 -1.931 1.00 5.00 +ATOM 479 CA SER C 20 23.426 6.591 -2.403 1.00 5.00 +ATOM 480 CB SER C 20 24.577 7.163 -2.563 1.00 5.00 +ATOM 481 CA ILE C 21 21.643 4.811 0.487 1.00 5.00 +ATOM 482 CB ILE C 21 20.249 5.204 1.218 1.00 5.00 +ATOM 483 CA LEU C 22 23.070 2.023 2.687 1.00 5.00 +ATOM 484 CB LEU C 22 24.986 2.526 3.255 1.00 5.00 +ATOM 485 CA MET C 23 19.992 -0.121 3.273 1.00 5.00 +ATOM 486 CB MET C 23 17.976 1.425 2.957 1.00 5.00 +ATOM 487 CA LEU C 24 19.488 -3.281 5.424 1.00 5.00 +ATOM 488 CB LEU C 24 19.697 -3.013 7.490 1.00 5.00 +ATOM 489 CA PRO C 25 19.222 -6.830 3.949 1.00 5.00 +ATOM 490 CB PRO C 25 20.579 -6.859 4.305 1.00 5.00 +ATOM 491 CA GLU C 26 15.894 -7.842 5.498 1.00 5.00 +ATOM 492 CB GLU C 26 16.071 -9.697 7.029 1.00 5.00 +ATOM 493 CA GLU C 27 15.074 -4.079 5.240 1.00 5.00 +ATOM 494 CB GLU C 27 15.486 -3.419 7.563 1.00 5.00 +ATOM 495 CA VAL C 28 15.287 -4.532 1.355 1.00 5.00 +ATOM 496 CB VAL C 28 16.658 -4.253 1.654 1.00 5.00 +ATOM 497 CA GLU C 29 14.122 -8.285 1.383 1.00 5.00 +ATOM 498 CB GLU C 29 14.385 -10.528 2.175 1.00 5.00 +ATOM 499 CA GLU C 30 10.735 -6.668 2.380 1.00 5.00 +ATOM 500 CB GLU C 30 9.156 -6.235 4.180 1.00 5.00 +ATOM 501 CA VAL C 31 11.083 -5.378 -1.278 1.00 5.00 +ATOM 502 CB VAL C 31 11.685 -3.994 -1.415 1.00 5.00 +ATOM 503 CA ILE C 32 13.212 -7.653 -3.469 1.00 5.00 +ATOM 504 CB ILE C 32 14.847 -7.002 -3.569 1.00 5.00 +ATOM 505 CA GLY C 33 12.008 -11.249 -2.354 1.00 5.00 +ATOM 506 CA ASN C 34 15.716 -12.292 -3.047 1.00 5.00 +ATOM 507 CB ASN C 34 15.316 -11.545 -4.895 1.00 5.00 +ATOM 508 CA LYS C 35 18.296 -11.672 -0.170 1.00 5.00 +ATOM 509 CB LYS C 35 20.748 -13.507 -0.304 1.00 5.00 +ATOM 510 CA PRO C 36 21.596 -9.905 -0.860 1.00 5.00 +ATOM 511 CB PRO C 36 20.701 -8.808 -0.672 1.00 5.00 +ATOM 512 CA GLU C 37 24.120 -11.710 1.495 1.00 5.00 +ATOM 513 CB GLU C 37 26.309 -12.294 0.852 1.00 5.00 +ATOM 514 CA SER C 38 25.429 -8.115 2.778 1.00 5.00 +ATOM 515 CB SER C 38 25.197 -7.223 1.950 1.00 5.00 +ATOM 516 CA ASP C 39 24.112 -4.859 3.894 1.00 5.00 +ATOM 517 CB ASP C 39 23.765 -3.697 5.597 1.00 5.00 +ATOM 518 CA ILE C 40 23.126 -2.830 0.667 1.00 5.00 +ATOM 519 CB ILE C 40 22.081 -3.573 -0.376 1.00 5.00 +ATOM 520 CA LEU C 41 24.013 0.688 -1.273 1.00 5.00 +ATOM 521 CB LEU C 41 25.969 1.137 -1.540 1.00 5.00 +ATOM 522 CA VAL C 42 20.467 1.807 -2.556 1.00 5.00 +ATOM 523 CB VAL C 42 19.186 1.974 -1.787 1.00 5.00 +ATOM 524 CA HIS C 43 22.113 3.678 -5.624 1.00 5.00 +ATOM 525 CB HIS C 43 24.611 2.421 -5.476 1.00 5.00 +ATOM 526 CA THR C 44 19.211 6.108 -6.418 1.00 5.00 +ATOM 527 CB THR C 44 18.267 6.919 -5.598 1.00 5.00 +ATOM 528 CA ALA C 45 18.074 8.087 -9.582 1.00 5.00 +ATOM 529 CB ALA C 45 18.516 7.467 -9.898 1.00 5.00 +ATOM 530 CA TYR C 46 14.767 9.703 -10.608 1.00 5.00 +ATOM 531 CB TYR C 46 13.798 11.646 -8.112 1.00 5.00 +ATOM 532 CA ASP C 47 13.917 10.355 -14.209 1.00 5.00 +ATOM 533 CB ASP C 47 13.229 9.916 -16.012 1.00 5.00 +ATOM 534 CA GLU C 48 11.103 13.179 -13.705 1.00 5.00 +ATOM 535 CB GLU C 48 11.455 13.598 -11.267 1.00 5.00 +ATOM 536 CA SER C 49 10.338 13.622 -17.085 1.00 5.00 +ATOM 537 CB SER C 49 11.513 13.251 -17.564 1.00 5.00 +ATOM 538 CA THR C 50 9.144 9.911 -17.042 1.00 5.00 +ATOM 539 CB THR C 50 9.400 9.182 -18.329 1.00 5.00 +ATOM 540 CA ASP C 51 7.803 10.192 -13.474 1.00 5.00 +ATOM 541 CB ASP C 51 7.034 10.677 -11.628 1.00 5.00 +ATOM 542 CA GLU C 52 9.254 6.772 -12.396 1.00 5.00 +ATOM 543 CB GLU C 52 7.832 5.188 -13.501 1.00 5.00 +ATOM 544 CA ASN C 53 12.202 6.338 -9.922 1.00 5.00 +ATOM 545 CB ASN C 53 10.360 6.047 -9.326 1.00 5.00 +ATOM 546 CA VAL C 54 15.144 3.867 -10.668 1.00 5.00 +ATOM 547 CB VAL C 54 15.989 3.226 -11.620 1.00 5.00 +ATOM 548 CA MET C 55 16.825 2.328 -7.648 1.00 5.00 +ATOM 549 CB MET C 55 15.609 2.334 -5.584 1.00 5.00 +ATOM 550 CA LEU C 56 20.012 0.414 -8.817 1.00 5.00 +ATOM 551 CB LEU C 56 20.971 2.282 -9.001 1.00 5.00 +ATOM 552 CA LEU C 57 20.502 -1.844 -5.780 1.00 5.00 +ATOM 553 CB LEU C 57 18.673 -1.757 -4.685 1.00 5.00 +ATOM 554 CA THR C 58 24.365 -2.421 -5.190 1.00 5.00 +ATOM 555 CB THR C 58 24.388 -1.627 -6.443 1.00 5.00 +ATOM 556 CA SER C 59 26.716 -4.003 -2.576 1.00 5.00 +ATOM 557 CB SER C 59 27.970 -4.261 -2.862 1.00 5.00 +ATOM 558 CA ASP C 60 28.548 -1.797 -0.061 1.00 5.00 +ATOM 559 CB ASP C 60 28.757 -0.578 1.545 1.00 5.00 +ATOM 560 CA ALA C 61 31.447 0.568 -0.916 1.00 5.00 +ATOM 561 CB ALA C 61 31.772 1.244 -0.911 1.00 5.00 +ATOM 562 CA PRO C 62 34.722 -1.296 -2.515 1.00 5.00 +ATOM 563 CB PRO C 62 34.929 -1.286 -1.058 1.00 5.00 +ATOM 564 CA GLU C 63 32.402 -3.956 -4.023 1.00 5.00 +ATOM 565 CB GLU C 63 33.253 -5.590 -1.865 1.00 5.00 +ATOM 566 CA TYR C 64 29.625 -2.291 -6.264 1.00 5.00 +ATOM 567 CB TYR C 64 31.561 -1.869 -9.107 1.00 5.00 +ATOM 568 CA LYS C 65 27.912 -5.815 -7.139 1.00 5.00 +ATOM 569 CB LYS C 65 28.375 -8.574 -7.126 1.00 5.00 +ATOM 570 CA PRO C 66 24.863 -5.099 -9.264 1.00 5.00 +ATOM 571 CB PRO C 66 25.624 -5.014 -10.514 1.00 5.00 +ATOM 572 CA TRP C 67 22.386 -7.182 -6.973 1.00 5.00 +ATOM 573 CB TRP C 67 24.218 -7.702 -3.870 1.00 5.00 +ATOM 574 CA ALA C 68 19.193 -5.186 -8.218 1.00 5.00 +ATOM 575 CB ALA C 68 18.915 -5.449 -7.523 1.00 5.00 +ATOM 576 CA LEU C 69 17.437 -2.565 -10.549 1.00 5.00 +ATOM 577 CB LEU C 69 18.621 -1.830 -12.126 1.00 5.00 +ATOM 578 CA VAL C 70 14.189 -1.277 -8.685 1.00 5.00 +ATOM 579 CB VAL C 70 14.106 -1.426 -7.162 1.00 5.00 +ATOM 580 CA ILE C 71 11.842 1.072 -10.928 1.00 5.00 +ATOM 581 CB ILE C 71 11.902 0.446 -12.641 1.00 5.00 +ATOM 582 CA GLN C 72 9.494 2.778 -8.575 1.00 5.00 +ATOM 583 CB GLN C 72 10.193 2.504 -5.963 1.00 5.00 +ATOM 584 CA ASP C 73 6.581 4.680 -10.266 1.00 5.00 +ATOM 585 CB ASP C 73 5.263 3.113 -10.614 1.00 5.00 +ATOM 586 CA SER C 74 4.573 7.393 -8.865 1.00 5.00 +ATOM 587 CB SER C 74 4.273 8.643 -8.486 1.00 5.00 +ATOM 588 CA ASN C 75 1.701 5.390 -7.712 1.00 5.00 +ATOM 589 CB ASN C 75 1.081 4.544 -9.540 1.00 5.00 +ATOM 590 CA GLY C 76 4.044 2.758 -5.921 1.00 5.00 +ATOM 591 CA GLU C 77 3.891 -0.416 -8.234 1.00 5.00 +ATOM 592 CB GLU C 77 2.037 -2.056 -8.238 1.00 5.00 +ATOM 593 CA ASN C 78 7.523 -1.366 -8.431 1.00 5.00 +ATOM 594 CB ASN C 78 8.530 -1.724 -6.771 1.00 5.00 +ATOM 595 CA LYS C 79 8.741 -3.095 -11.617 1.00 5.00 +ATOM 596 CB LYS C 79 9.130 -3.201 -14.716 1.00 5.00 +ATOM 597 CA ILE C 80 12.100 -4.719 -9.958 1.00 5.00 +ATOM 598 CB ILE C 80 10.880 -5.684 -8.808 1.00 5.00 +ATOM 599 CA LYS C 81 14.624 -6.132 -12.455 1.00 5.00 +ATOM 600 CB LYS C 81 13.546 -5.725 -15.210 1.00 5.00 +ATOM 601 CA MET C 82 17.429 -8.331 -10.985 1.00 5.00 +ATOM 602 CB MET C 82 17.673 -9.213 -8.801 1.00 5.00 +ATOM 603 CA LEU C 83 20.605 -7.956 -12.988 1.00 5.00 +ATOM 604 CB LEU C 83 20.743 -6.016 -13.904 1.00 5.00 TER CONECT 1 3 2 CONECT 3 5 4