USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 465 hydrogens (19 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A1129 2MR HXT : A1129 2MR OXT : A1129 2MR C :(short bond) USER MOD Set 1.1: A 117 THR OG1 : rot 180:sc= -0.654 USER MOD Set 1.2: A 121 ASN : amide:sc= -2.01 X(o=-2.7,f=-2.6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc=-0.00449 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -130:sc= 0.00537 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -114:sc= 2.24 (180deg=0.457) USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= 1.17 (180deg=0.8) USER MOD Single : A 79 CYS SG : rot -15:sc= -2.19! USER MOD Single : A 80 MET CE :methyl 152:sc= -0.277 (180deg=-1.05) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.19) USER MOD Single : A 89 CYS SG : rot 180:sc= 0.145 USER MOD Single : A 90 TYR OH : rot 10:sc= 0.731 USER MOD Single : A 101 ASN : amide:sc= 1.05 K(o=1.1,f=-0.27) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.487 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 111 TYR OH : rot -138:sc= 0.0609 USER MOD Single : A 113 ASN : amide:sc= -2.46! X(o=-2.5!,f=-2.4) USER MOD Single : A 123 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000619) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 65 17.642 -3.218 3.694 1.00 0.00 N ATOM 2 CA ALA A 65 16.960 -3.145 2.398 1.00 0.00 C ATOM 3 C ALA A 65 17.662 -4.021 1.380 1.00 0.00 C ATOM 4 O ALA A 65 17.068 -4.962 0.849 1.00 0.00 O ATOM 5 CB ALA A 65 16.864 -1.706 1.903 1.00 0.00 C ATOM 0 HA ALA A 65 15.944 -3.516 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.353 -1.686 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.304 -1.110 2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.866 -1.292 1.791 1.00 0.00 H new ATOM 13 N SER A 66 18.924 -3.678 1.093 1.00 0.00 N ATOM 14 CA SER A 66 19.802 -4.422 0.172 1.00 0.00 C ATOM 15 C SER A 66 19.358 -4.294 -1.296 1.00 0.00 C ATOM 16 O SER A 66 19.831 -5.021 -2.157 1.00 0.00 O ATOM 17 CB SER A 66 19.916 -5.896 0.592 1.00 0.00 C ATOM 18 OG SER A 66 20.357 -6.000 1.944 1.00 0.00 O ATOM 0 H SER A 66 19.375 -2.859 1.501 1.00 0.00 H new ATOM 0 HA SER A 66 20.791 -3.969 0.240 1.00 0.00 H new ATOM 0 HB2 SER A 66 18.949 -6.387 0.480 1.00 0.00 H new ATOM 0 HB3 SER A 66 20.615 -6.414 -0.065 1.00 0.00 H new ATOM 0 HG SER A 66 20.422 -6.945 2.195 1.00 0.00 H new ATOM 24 N THR A 67 18.506 -3.332 -1.574 1.00 0.00 N ATOM 25 CA THR A 67 17.996 -3.101 -2.896 1.00 0.00 C ATOM 26 C THR A 67 17.277 -1.756 -2.874 1.00 0.00 C ATOM 27 O THR A 67 17.114 -1.160 -1.792 1.00 0.00 O ATOM 28 CB THR A 67 17.026 -4.259 -3.360 1.00 0.00 C ATOM 29 OG1 THR A 67 16.668 -4.109 -4.753 1.00 0.00 O ATOM 30 CG2 THR A 67 15.751 -4.295 -2.514 1.00 0.00 C ATOM 0 H THR A 67 18.147 -2.682 -0.874 1.00 0.00 H new ATOM 0 HA THR A 67 18.815 -3.088 -3.616 1.00 0.00 H new ATOM 0 HB THR A 67 17.565 -5.197 -3.225 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.069 -4.838 -5.017 1.00 0.00 H new ATOM 0 HG21 THR A 67 15.107 -5.103 -2.861 1.00 0.00 H new ATOM 0 HG22 THR A 67 16.012 -4.462 -1.469 1.00 0.00 H new ATOM 0 HG23 THR A 67 15.224 -3.345 -2.609 1.00 0.00 H new ATOM 38 N GLN A 68 16.873 -1.282 -4.023 1.00 0.00 N ATOM 39 CA GLN A 68 16.186 -0.022 -4.133 1.00 0.00 C ATOM 40 C GLN A 68 14.676 -0.245 -4.084 1.00 0.00 C ATOM 41 O GLN A 68 14.178 -1.219 -4.653 1.00 0.00 O ATOM 42 CB GLN A 68 16.590 0.695 -5.440 1.00 0.00 C ATOM 43 CG GLN A 68 16.344 -0.114 -6.715 1.00 0.00 C ATOM 44 CD GLN A 68 16.808 0.606 -7.964 1.00 0.00 C ATOM 45 OE1 GLN A 68 17.959 0.477 -8.376 1.00 0.00 O ATOM 46 NE2 GLN A 68 15.922 1.325 -8.600 1.00 0.00 N ATOM 0 H GLN A 68 17.012 -1.761 -4.913 1.00 0.00 H new ATOM 0 HA GLN A 68 16.470 0.612 -3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.039 1.633 -5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 68 17.648 0.950 -5.386 1.00 0.00 H new ATOM 0 HG2 GLN A 68 16.861 -1.070 -6.639 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.280 -0.333 -6.801 1.00 0.00 H new ATOM 0 HE21 GLN A 68 14.975 1.411 -8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.177 1.800 -9.466 1.00 0.00 H new ATOM 55 N PRO A 69 13.932 0.596 -3.357 1.00 0.00 N ATOM 56 CA PRO A 69 12.468 0.539 -3.347 1.00 0.00 C ATOM 57 C PRO A 69 11.922 0.740 -4.750 1.00 0.00 C ATOM 58 O PRO A 69 12.547 1.416 -5.587 1.00 0.00 O ATOM 59 CB PRO A 69 12.067 1.710 -2.448 1.00 0.00 C ATOM 60 CG PRO A 69 13.263 1.965 -1.601 1.00 0.00 C ATOM 61 CD PRO A 69 14.446 1.648 -2.462 1.00 0.00 C ATOM 0 HA PRO A 69 12.082 -0.418 -2.997 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.804 2.589 -3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.197 1.462 -1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.290 3.001 -1.265 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.250 1.340 -0.708 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.785 2.521 -3.019 1.00 0.00 H new ATOM 0 HD3 PRO A 69 15.293 1.298 -1.872 1.00 0.00 H new ATOM 69 N THR A 70 10.782 0.166 -5.018 1.00 0.00 N ATOM 70 CA THR A 70 10.209 0.230 -6.317 1.00 0.00 C ATOM 71 C THR A 70 9.662 1.638 -6.574 1.00 0.00 C ATOM 72 O THR A 70 9.725 2.152 -7.688 1.00 0.00 O ATOM 73 CB THR A 70 9.066 -0.773 -6.355 1.00 0.00 C ATOM 74 OG1 THR A 70 9.517 -2.003 -5.755 1.00 0.00 O ATOM 75 CG2 THR A 70 8.623 -1.035 -7.777 1.00 0.00 C ATOM 0 H THR A 70 10.231 -0.357 -4.337 1.00 0.00 H new ATOM 0 HA THR A 70 10.954 0.003 -7.079 1.00 0.00 H new ATOM 0 HB THR A 70 8.216 -0.368 -5.805 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.306 -2.753 -6.349 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.805 -1.755 -7.776 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.285 -0.103 -8.231 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.459 -1.436 -8.351 1.00 0.00 H new ATOM 83 N HIS A 71 9.185 2.257 -5.531 1.00 0.00 N ATOM 84 CA HIS A 71 8.693 3.610 -5.574 1.00 0.00 C ATOM 85 C HIS A 71 9.106 4.271 -4.294 1.00 0.00 C ATOM 86 O HIS A 71 9.304 3.581 -3.289 1.00 0.00 O ATOM 87 CB HIS A 71 7.156 3.679 -5.751 1.00 0.00 C ATOM 88 CG HIS A 71 6.645 3.166 -7.071 1.00 0.00 C ATOM 89 ND1 HIS A 71 6.410 3.962 -8.170 1.00 0.00 N ATOM 90 CD2 HIS A 71 6.341 1.903 -7.457 1.00 0.00 C ATOM 91 CE1 HIS A 71 5.988 3.186 -9.164 1.00 0.00 C ATOM 92 NE2 HIS A 71 5.926 1.918 -8.785 1.00 0.00 N ATOM 0 H HIS A 71 9.125 1.829 -4.607 1.00 0.00 H new ATOM 0 HA HIS A 71 9.115 4.120 -6.440 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.687 3.108 -4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.838 4.715 -5.633 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.410 1.024 -6.833 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.730 3.542 -10.150 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.635 1.120 -9.349 1.00 0.00 H new ATOM 100 N SER A 72 9.261 5.559 -4.310 1.00 0.00 N ATOM 101 CA SER A 72 9.665 6.271 -3.126 1.00 0.00 C ATOM 102 C SER A 72 8.442 6.653 -2.292 1.00 0.00 C ATOM 103 O SER A 72 7.620 7.467 -2.722 1.00 0.00 O ATOM 104 CB SER A 72 10.463 7.506 -3.522 1.00 0.00 C ATOM 105 OG SER A 72 11.534 7.150 -4.408 1.00 0.00 O ATOM 0 H SER A 72 9.114 6.145 -5.132 1.00 0.00 H new ATOM 0 HA SER A 72 10.298 5.627 -2.515 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.808 8.230 -4.007 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.865 7.987 -2.631 1.00 0.00 H new ATOM 0 HG SER A 72 12.036 7.955 -4.654 1.00 0.00 H new ATOM 111 N TRP A 73 8.299 6.021 -1.140 1.00 0.00 N ATOM 112 CA TRP A 73 7.198 6.295 -0.246 1.00 0.00 C ATOM 113 C TRP A 73 7.703 6.678 1.127 1.00 0.00 C ATOM 114 O TRP A 73 8.806 6.260 1.520 1.00 0.00 O ATOM 115 CB TRP A 73 6.304 5.073 -0.132 1.00 0.00 C ATOM 116 CG TRP A 73 5.617 4.718 -1.407 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.914 3.681 -2.230 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.534 5.428 -2.020 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.054 3.672 -3.300 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.205 4.743 -3.199 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.802 6.573 -1.676 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.180 5.159 -4.041 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.787 6.985 -2.513 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.486 6.280 -3.682 1.00 0.00 C ATOM 0 H TRP A 73 8.943 5.306 -0.803 1.00 0.00 H new ATOM 0 HA TRP A 73 6.627 7.129 -0.655 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.903 4.224 0.198 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.554 5.252 0.638 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.709 2.968 -2.067 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.048 2.980 -4.049 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.029 7.121 -0.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 2.941 4.617 -4.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.215 7.866 -2.262 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.685 6.630 -4.317 1.00 0.00 H new ATOM 135 N LYS A 74 6.941 7.489 1.836 1.00 0.00 N ATOM 136 CA LYS A 74 7.249 7.829 3.207 1.00 0.00 C ATOM 137 C LYS A 74 6.012 7.689 4.093 1.00 0.00 C ATOM 138 O LYS A 74 4.886 7.584 3.600 1.00 0.00 O ATOM 139 CB LYS A 74 7.839 9.231 3.351 1.00 0.00 C ATOM 140 CG LYS A 74 6.949 10.357 2.861 1.00 0.00 C ATOM 141 CD LYS A 74 7.449 11.707 3.347 1.00 0.00 C ATOM 142 CE LYS A 74 7.043 11.946 4.800 1.00 0.00 C ATOM 143 NZ LYS A 74 5.594 12.218 4.927 1.00 0.00 N ATOM 0 H LYS A 74 6.094 7.928 1.476 1.00 0.00 H new ATOM 0 HA LYS A 74 8.011 7.122 3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.072 9.404 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.781 9.270 2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.916 10.350 1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.930 10.197 3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.534 11.752 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.043 12.498 2.717 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.303 11.073 5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.608 12.787 5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.451 13.196 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.134 12.089 4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.177 11.561 5.616 1.00 0.00 H new ATOM 157 N VAL A 75 6.248 7.649 5.384 1.00 0.00 N ATOM 158 CA VAL A 75 5.211 7.535 6.395 1.00 0.00 C ATOM 159 C VAL A 75 4.287 8.765 6.386 1.00 0.00 C ATOM 160 O VAL A 75 4.756 9.894 6.252 1.00 0.00 O ATOM 161 CB VAL A 75 5.854 7.355 7.801 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.813 7.363 8.892 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.660 6.065 7.862 1.00 0.00 C ATOM 0 H VAL A 75 7.189 7.696 5.775 1.00 0.00 H new ATOM 0 HA VAL A 75 4.606 6.659 6.163 1.00 0.00 H new ATOM 0 HB VAL A 75 6.522 8.201 7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.299 7.235 9.859 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.278 8.313 8.877 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.109 6.547 8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.101 5.958 8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.005 5.217 7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.452 6.095 7.114 1.00 0.00 H new ATOM 173 N GLY A 76 2.988 8.532 6.507 1.00 0.00 N ATOM 174 CA GLY A 76 2.026 9.618 6.571 1.00 0.00 C ATOM 175 C GLY A 76 1.512 10.016 5.217 1.00 0.00 C ATOM 176 O GLY A 76 0.756 10.985 5.078 1.00 0.00 O ATOM 0 H GLY A 76 2.578 7.600 6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.188 9.319 7.200 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.490 10.482 7.048 1.00 0.00 H new ATOM 180 N ASP A 77 1.909 9.287 4.228 1.00 0.00 N ATOM 181 CA ASP A 77 1.527 9.578 2.867 1.00 0.00 C ATOM 182 C ASP A 77 0.422 8.690 2.393 1.00 0.00 C ATOM 183 O ASP A 77 0.251 7.573 2.878 1.00 0.00 O ATOM 184 CB ASP A 77 2.724 9.451 1.947 1.00 0.00 C ATOM 185 CG ASP A 77 3.639 10.647 2.001 1.00 0.00 C ATOM 186 OD1 ASP A 77 3.939 11.152 3.108 1.00 0.00 O ATOM 187 OD2 ASP A 77 4.101 11.101 0.929 1.00 0.00 O ATOM 0 H ASP A 77 2.509 8.469 4.330 1.00 0.00 H new ATOM 0 HA ASP A 77 1.159 10.604 2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.288 8.557 2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.375 9.313 0.923 1.00 0.00 H new ATOM 192 N LYS A 78 -0.328 9.184 1.452 1.00 0.00 N ATOM 193 CA LYS A 78 -1.396 8.449 0.860 1.00 0.00 C ATOM 194 C LYS A 78 -0.899 7.725 -0.358 1.00 0.00 C ATOM 195 O LYS A 78 -0.082 8.241 -1.114 1.00 0.00 O ATOM 196 CB LYS A 78 -2.555 9.371 0.468 1.00 0.00 C ATOM 197 CG LYS A 78 -3.383 9.908 1.615 1.00 0.00 C ATOM 198 CD LYS A 78 -4.132 8.790 2.319 1.00 0.00 C ATOM 199 CE LYS A 78 -5.069 9.323 3.388 1.00 0.00 C ATOM 200 NZ LYS A 78 -6.107 10.208 2.824 1.00 0.00 N ATOM 0 H LYS A 78 -0.209 10.123 1.072 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.761 7.732 1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.151 10.215 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.214 8.828 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.735 10.420 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.093 10.646 1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.703 8.219 1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.417 8.103 2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.545 8.488 3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.493 9.870 4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.856 10.358 3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.682 11.123 2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.515 9.767 1.975 1.00 0.00 H new ATOM 214 N CYS A 79 -1.375 6.557 -0.533 1.00 0.00 N ATOM 215 CA CYS A 79 -1.050 5.747 -1.650 1.00 0.00 C ATOM 216 C CYS A 79 -2.245 4.904 -1.951 1.00 0.00 C ATOM 217 O CYS A 79 -3.250 4.979 -1.239 1.00 0.00 O ATOM 218 CB CYS A 79 0.137 4.859 -1.312 1.00 0.00 C ATOM 219 SG CYS A 79 -0.103 3.852 0.180 1.00 0.00 S ATOM 0 H CYS A 79 -2.026 6.116 0.117 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.785 6.361 -2.511 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.337 4.199 -2.156 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.020 5.484 -1.179 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.117 4.309 0.853 1.00 0.00 H new ATOM 225 N MET A 80 -2.183 4.147 -2.980 1.00 0.00 N ATOM 226 CA MET A 80 -3.231 3.248 -3.259 1.00 0.00 C ATOM 227 C MET A 80 -2.665 1.898 -3.114 1.00 0.00 C ATOM 228 O MET A 80 -1.615 1.600 -3.681 1.00 0.00 O ATOM 229 CB MET A 80 -3.819 3.429 -4.650 1.00 0.00 C ATOM 230 CG MET A 80 -4.167 4.861 -4.987 1.00 0.00 C ATOM 231 SD MET A 80 -5.217 5.010 -6.434 1.00 0.00 S ATOM 232 CE MET A 80 -6.696 4.210 -5.825 1.00 0.00 C ATOM 0 H MET A 80 -1.411 4.134 -3.646 1.00 0.00 H new ATOM 0 HA MET A 80 -4.057 3.427 -2.571 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.107 3.056 -5.386 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.717 2.817 -4.736 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.669 5.317 -4.133 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.248 5.422 -5.154 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.568 4.619 -6.336 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.634 3.138 -6.014 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.789 4.385 -4.753 1.00 0.00 H new ATOM 242 N ALA A 81 -3.318 1.100 -2.375 1.00 0.00 N ATOM 243 CA ALA A 81 -2.852 -0.202 -2.092 1.00 0.00 C ATOM 244 C ALA A 81 -3.830 -1.175 -2.623 1.00 0.00 C ATOM 245 O ALA A 81 -5.018 -0.863 -2.739 1.00 0.00 O ATOM 246 CB ALA A 81 -2.711 -0.375 -0.601 1.00 0.00 C ATOM 0 H ALA A 81 -4.210 1.331 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.879 -0.364 -2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.351 -1.381 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.000 0.356 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.680 -0.225 -0.124 1.00 0.00 H new ATOM 252 N VAL A 82 -3.355 -2.318 -2.976 1.00 0.00 N ATOM 253 CA VAL A 82 -4.207 -3.352 -3.440 1.00 0.00 C ATOM 254 C VAL A 82 -4.668 -4.107 -2.227 1.00 0.00 C ATOM 255 O VAL A 82 -3.859 -4.724 -1.539 1.00 0.00 O ATOM 256 CB VAL A 82 -3.462 -4.306 -4.416 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.388 -5.396 -4.936 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.854 -3.524 -5.574 1.00 0.00 C ATOM 0 H VAL A 82 -2.365 -2.561 -2.951 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.047 -2.931 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.656 -4.786 -3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.838 -6.047 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.766 -5.982 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.224 -4.941 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.337 -4.210 -6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.644 -3.009 -6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.145 -2.793 -5.187 1.00 0.00 H new ATOM 268 N TRP A 83 -5.948 -4.013 -1.951 1.00 0.00 N ATOM 269 CA TRP A 83 -6.539 -4.647 -0.813 1.00 0.00 C ATOM 270 C TRP A 83 -6.463 -6.113 -1.021 1.00 0.00 C ATOM 271 O TRP A 83 -7.096 -6.644 -1.933 1.00 0.00 O ATOM 272 CB TRP A 83 -7.997 -4.209 -0.643 1.00 0.00 C ATOM 273 CG TRP A 83 -8.604 -4.595 0.687 1.00 0.00 C ATOM 274 CD1 TRP A 83 -7.956 -4.683 1.870 1.00 0.00 C ATOM 275 CD2 TRP A 83 -9.973 -4.893 0.968 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.814 -5.030 2.869 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.063 -5.163 2.346 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.124 -4.961 0.201 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.260 -5.498 2.963 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.313 -5.296 0.815 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.368 -5.560 2.184 1.00 0.00 C ATOM 0 H TRP A 83 -6.609 -3.486 -2.522 1.00 0.00 H new ATOM 0 HA TRP A 83 -6.004 -4.362 0.093 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.056 -3.127 -0.757 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.593 -4.647 -1.444 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.900 -4.502 2.005 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.562 -5.167 3.848 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.091 -4.755 -0.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.307 -5.701 4.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.216 -5.355 0.226 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.315 -5.820 2.634 1.00 0.00 H new ATOM 292 N SER A 84 -5.720 -6.757 -0.177 1.00 0.00 N ATOM 293 CA SER A 84 -5.442 -8.184 -0.261 1.00 0.00 C ATOM 294 C SER A 84 -6.745 -9.020 -0.192 1.00 0.00 C ATOM 295 O SER A 84 -6.783 -10.199 -0.588 1.00 0.00 O ATOM 296 CB SER A 84 -4.461 -8.569 0.868 1.00 0.00 C ATOM 297 OG SER A 84 -4.015 -9.919 0.773 1.00 0.00 O ATOM 0 H SER A 84 -5.270 -6.305 0.619 1.00 0.00 H new ATOM 0 HA SER A 84 -4.983 -8.405 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.599 -7.903 0.837 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.946 -8.418 1.832 1.00 0.00 H new ATOM 0 HG SER A 84 -3.396 -10.112 1.508 1.00 0.00 H new ATOM 303 N GLU A 85 -7.807 -8.410 0.286 1.00 0.00 N ATOM 304 CA GLU A 85 -9.056 -9.100 0.413 1.00 0.00 C ATOM 305 C GLU A 85 -9.867 -9.075 -0.891 1.00 0.00 C ATOM 306 O GLU A 85 -10.440 -10.084 -1.290 1.00 0.00 O ATOM 307 CB GLU A 85 -9.863 -8.507 1.537 1.00 0.00 C ATOM 308 CG GLU A 85 -9.111 -8.393 2.856 1.00 0.00 C ATOM 309 CD GLU A 85 -8.634 -9.716 3.420 1.00 0.00 C ATOM 310 OE1 GLU A 85 -7.598 -10.247 2.971 1.00 0.00 O ATOM 311 OE2 GLU A 85 -9.267 -10.237 4.349 1.00 0.00 O ATOM 0 H GLU A 85 -7.823 -7.437 0.591 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.831 -10.143 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.204 -7.515 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.753 -9.117 1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.249 -7.741 2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.758 -7.911 3.589 1.00 0.00 H new ATOM 318 N ASP A 86 -9.898 -7.929 -1.559 1.00 0.00 N ATOM 319 CA ASP A 86 -10.765 -7.773 -2.756 1.00 0.00 C ATOM 320 C ASP A 86 -9.956 -7.794 -4.047 1.00 0.00 C ATOM 321 O ASP A 86 -10.493 -8.019 -5.134 1.00 0.00 O ATOM 322 CB ASP A 86 -11.555 -6.465 -2.654 1.00 0.00 C ATOM 323 CG ASP A 86 -12.678 -6.330 -3.650 1.00 0.00 C ATOM 324 OD1 ASP A 86 -13.595 -7.180 -3.646 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.710 -5.334 -4.384 1.00 0.00 O ATOM 0 H ASP A 86 -9.353 -7.103 -1.313 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.453 -8.618 -2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.967 -6.383 -1.648 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.867 -5.630 -2.786 1.00 0.00 H new ATOM 330 N GLY A 87 -8.665 -7.557 -3.919 1.00 0.00 N ATOM 331 CA GLY A 87 -7.767 -7.574 -5.068 1.00 0.00 C ATOM 332 C GLY A 87 -7.774 -6.278 -5.873 1.00 0.00 C ATOM 333 O GLY A 87 -7.224 -6.224 -6.987 1.00 0.00 O ATOM 0 H GLY A 87 -8.209 -7.349 -3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.752 -7.770 -4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.046 -8.399 -5.723 1.00 0.00 H new ATOM 337 N GLN A 88 -8.383 -5.244 -5.332 1.00 0.00 N ATOM 338 CA GLN A 88 -8.458 -3.957 -6.013 1.00 0.00 C ATOM 339 C GLN A 88 -7.685 -2.903 -5.264 1.00 0.00 C ATOM 340 O GLN A 88 -7.313 -3.106 -4.110 1.00 0.00 O ATOM 341 CB GLN A 88 -9.902 -3.511 -6.233 1.00 0.00 C ATOM 342 CG GLN A 88 -10.659 -4.305 -7.274 1.00 0.00 C ATOM 343 CD GLN A 88 -10.053 -4.177 -8.665 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.394 -3.276 -9.427 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.185 -5.079 -9.019 1.00 0.00 N ATOM 0 H GLN A 88 -8.837 -5.264 -4.419 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.002 -4.087 -6.994 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.437 -3.578 -5.285 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.903 -2.461 -6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.674 -5.356 -6.984 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.695 -3.967 -7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.920 -5.816 -8.366 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.769 -5.049 -9.950 1.00 0.00 H new ATOM 354 N CYS A 89 -7.474 -1.781 -5.895 1.00 0.00 N ATOM 355 CA CYS A 89 -6.710 -0.700 -5.313 1.00 0.00 C ATOM 356 C CYS A 89 -7.622 0.303 -4.619 1.00 0.00 C ATOM 357 O CYS A 89 -8.666 0.695 -5.157 1.00 0.00 O ATOM 358 CB CYS A 89 -5.889 -0.029 -6.401 1.00 0.00 C ATOM 359 SG CYS A 89 -6.853 0.373 -7.870 1.00 0.00 S ATOM 0 H CYS A 89 -7.827 -1.585 -6.832 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.039 -1.103 -4.555 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.447 0.884 -6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -5.065 -0.685 -6.683 1.00 0.00 H new ATOM 0 HG CYS A 89 -6.085 0.944 -8.750 1.00 0.00 H new ATOM 365 N TYR A 90 -7.241 0.690 -3.427 1.00 0.00 N ATOM 366 CA TYR A 90 -7.997 1.623 -2.610 1.00 0.00 C ATOM 367 C TYR A 90 -7.025 2.594 -1.962 1.00 0.00 C ATOM 368 O TYR A 90 -5.829 2.272 -1.839 1.00 0.00 O ATOM 369 CB TYR A 90 -8.791 0.866 -1.531 1.00 0.00 C ATOM 370 CG TYR A 90 -9.857 -0.088 -2.069 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.524 -1.353 -2.539 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.185 0.280 -2.104 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.478 -2.213 -3.028 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.154 -0.575 -2.596 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.794 -1.822 -3.056 1.00 0.00 C ATOM 376 OH TYR A 90 -12.758 -2.664 -3.575 1.00 0.00 O ATOM 0 H TYR A 90 -6.382 0.363 -2.984 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.707 2.168 -3.232 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.092 0.298 -0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.272 1.593 -0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.491 -1.668 -2.519 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.474 1.255 -1.740 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.194 -3.191 -3.388 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.189 -0.266 -2.619 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.370 -3.551 -3.727 1.00 0.00 H new ATOM 386 N GLU A 91 -7.507 3.760 -1.567 1.00 0.00 N ATOM 387 CA GLU A 91 -6.658 4.775 -0.966 1.00 0.00 C ATOM 388 C GLU A 91 -6.293 4.383 0.460 1.00 0.00 C ATOM 389 O GLU A 91 -7.163 4.150 1.310 1.00 0.00 O ATOM 390 CB GLU A 91 -7.336 6.157 -0.972 1.00 0.00 C ATOM 391 CG GLU A 91 -6.437 7.275 -0.437 1.00 0.00 C ATOM 392 CD GLU A 91 -7.113 8.622 -0.370 1.00 0.00 C ATOM 393 OE1 GLU A 91 -7.269 9.280 -1.420 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.477 9.061 0.750 1.00 0.00 O ATOM 0 H GLU A 91 -8.487 4.028 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.750 4.842 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.640 6.400 -1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.244 6.111 -0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.090 7.003 0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.554 7.353 -1.072 1.00 0.00 H new ATOM 401 N ALA A 92 -5.025 4.330 0.714 1.00 0.00 N ATOM 402 CA ALA A 92 -4.514 3.955 2.000 1.00 0.00 C ATOM 403 C ALA A 92 -3.378 4.863 2.396 1.00 0.00 C ATOM 404 O ALA A 92 -2.642 5.345 1.547 1.00 0.00 O ATOM 405 CB ALA A 92 -4.044 2.529 1.960 1.00 0.00 C ATOM 0 H ALA A 92 -4.303 4.548 0.027 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.309 4.051 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.656 2.246 2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.878 1.878 1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.256 2.426 1.214 1.00 0.00 H new ATOM 411 N GLU A 93 -3.244 5.096 3.662 1.00 0.00 N ATOM 412 CA GLU A 93 -2.208 5.941 4.175 1.00 0.00 C ATOM 413 C GLU A 93 -1.134 5.067 4.794 1.00 0.00 C ATOM 414 O GLU A 93 -1.440 4.111 5.511 1.00 0.00 O ATOM 415 CB GLU A 93 -2.786 6.915 5.202 1.00 0.00 C ATOM 416 CG GLU A 93 -1.820 7.988 5.682 1.00 0.00 C ATOM 417 CD GLU A 93 -2.489 8.961 6.616 1.00 0.00 C ATOM 418 OE1 GLU A 93 -3.057 9.968 6.144 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.486 8.729 7.839 1.00 0.00 O ATOM 0 H GLU A 93 -3.855 4.703 4.378 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.769 6.531 3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.660 7.401 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.133 6.347 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.977 7.518 6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.417 8.526 4.824 1.00 0.00 H new ATOM 426 N ILE A 94 0.087 5.349 4.460 1.00 0.00 N ATOM 427 CA ILE A 94 1.229 4.612 4.954 1.00 0.00 C ATOM 428 C ILE A 94 1.495 4.923 6.418 1.00 0.00 C ATOM 429 O ILE A 94 1.721 6.074 6.795 1.00 0.00 O ATOM 430 CB ILE A 94 2.485 4.914 4.116 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.201 4.555 2.662 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.678 4.113 4.650 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.244 5.015 1.685 1.00 0.00 C ATOM 0 H ILE A 94 0.332 6.109 3.826 1.00 0.00 H new ATOM 0 HA ILE A 94 0.995 3.551 4.864 1.00 0.00 H new ATOM 0 HB ILE A 94 2.733 5.973 4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.101 3.473 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.241 4.986 2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.562 4.333 4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.866 4.388 5.688 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.456 3.047 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.956 4.715 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.330 6.101 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.204 4.564 1.938 1.00 0.00 H new ATOM 445 N GLU A 95 1.491 3.891 7.209 1.00 0.00 N ATOM 446 CA GLU A 95 1.708 3.984 8.634 1.00 0.00 C ATOM 447 C GLU A 95 3.174 3.811 8.953 1.00 0.00 C ATOM 448 O GLU A 95 3.729 4.524 9.791 1.00 0.00 O ATOM 449 CB GLU A 95 0.934 2.878 9.336 1.00 0.00 C ATOM 450 CG GLU A 95 -0.556 2.957 9.158 1.00 0.00 C ATOM 451 CD GLU A 95 -1.165 4.118 9.890 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.485 3.974 11.100 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.322 5.185 9.301 1.00 0.00 O ATOM 0 H GLU A 95 1.334 2.938 6.881 1.00 0.00 H new ATOM 0 HA GLU A 95 1.371 4.963 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.282 1.914 8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.163 2.910 10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.787 3.040 8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.010 2.031 9.511 1.00 0.00 H new ATOM 460 N GLU A 96 3.796 2.878 8.269 1.00 0.00 N ATOM 461 CA GLU A 96 5.152 2.495 8.547 1.00 0.00 C ATOM 462 C GLU A 96 5.704 1.786 7.324 1.00 0.00 C ATOM 463 O GLU A 96 4.940 1.220 6.550 1.00 0.00 O ATOM 464 CB GLU A 96 5.154 1.566 9.767 1.00 0.00 C ATOM 465 CG GLU A 96 6.516 1.138 10.242 1.00 0.00 C ATOM 466 CD GLU A 96 6.447 0.308 11.485 1.00 0.00 C ATOM 467 OE1 GLU A 96 6.318 0.869 12.585 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.523 -0.930 11.389 1.00 0.00 O ATOM 0 H GLU A 96 3.368 2.363 7.500 1.00 0.00 H new ATOM 0 HA GLU A 96 5.775 3.362 8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.642 2.068 10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.574 0.675 9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.011 0.569 9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.127 2.021 10.430 1.00 0.00 H new ATOM 475 N ILE A 97 6.993 1.850 7.135 1.00 0.00 N ATOM 476 CA ILE A 97 7.643 1.238 6.000 1.00 0.00 C ATOM 477 C ILE A 97 8.685 0.252 6.493 1.00 0.00 C ATOM 478 O ILE A 97 9.456 0.555 7.397 1.00 0.00 O ATOM 479 CB ILE A 97 8.340 2.325 5.131 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.317 3.330 4.625 1.00 0.00 C ATOM 481 CG2 ILE A 97 9.080 1.703 3.944 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.896 4.673 4.379 1.00 0.00 C ATOM 0 H ILE A 97 7.631 2.332 7.768 1.00 0.00 H new ATOM 0 HA ILE A 97 6.896 0.723 5.397 1.00 0.00 H new ATOM 0 HB ILE A 97 9.070 2.833 5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.875 2.956 3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.510 3.416 5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.555 2.490 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.841 1.014 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.372 1.162 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.117 5.345 4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.313 5.065 5.307 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.684 4.598 3.630 1.00 0.00 H new ATOM 494 N ASP A 98 8.670 -0.917 5.937 1.00 0.00 N ATOM 495 CA ASP A 98 9.669 -1.924 6.194 1.00 0.00 C ATOM 496 C ASP A 98 10.569 -1.954 4.989 1.00 0.00 C ATOM 497 O ASP A 98 10.267 -2.608 3.987 1.00 0.00 O ATOM 498 CB ASP A 98 9.044 -3.307 6.390 1.00 0.00 C ATOM 499 CG ASP A 98 10.069 -4.373 6.704 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.740 -4.854 5.780 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.197 -4.767 7.879 1.00 0.00 O ATOM 0 H ASP A 98 7.951 -1.212 5.276 1.00 0.00 H new ATOM 0 HA ASP A 98 10.210 -1.682 7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.315 -3.260 7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.500 -3.586 5.487 1.00 0.00 H new ATOM 506 N GLU A 99 11.615 -1.186 5.042 1.00 0.00 N ATOM 507 CA GLU A 99 12.551 -1.051 3.939 1.00 0.00 C ATOM 508 C GLU A 99 13.296 -2.348 3.667 1.00 0.00 C ATOM 509 O GLU A 99 13.778 -2.572 2.562 1.00 0.00 O ATOM 510 CB GLU A 99 13.542 0.052 4.226 1.00 0.00 C ATOM 511 CG GLU A 99 12.915 1.402 4.477 1.00 0.00 C ATOM 512 CD GLU A 99 13.951 2.421 4.808 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.349 2.517 5.983 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.437 3.100 3.891 1.00 0.00 O ATOM 0 H GLU A 99 11.856 -0.623 5.858 1.00 0.00 H new ATOM 0 HA GLU A 99 11.972 -0.802 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.136 -0.227 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.229 0.135 3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.359 1.718 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.199 1.327 5.295 1.00 0.00 H new ATOM 521 N GLU A 100 13.373 -3.196 4.674 1.00 0.00 N ATOM 522 CA GLU A 100 14.101 -4.441 4.594 1.00 0.00 C ATOM 523 C GLU A 100 13.481 -5.359 3.523 1.00 0.00 C ATOM 524 O GLU A 100 14.198 -5.984 2.720 1.00 0.00 O ATOM 525 CB GLU A 100 14.089 -5.119 5.963 1.00 0.00 C ATOM 526 CG GLU A 100 15.150 -6.178 6.132 1.00 0.00 C ATOM 527 CD GLU A 100 16.534 -5.594 6.007 1.00 0.00 C ATOM 528 OE1 GLU A 100 17.074 -5.540 4.880 1.00 0.00 O ATOM 529 OE2 GLU A 100 17.111 -5.173 7.024 1.00 0.00 O ATOM 0 H GLU A 100 12.927 -3.036 5.577 1.00 0.00 H new ATOM 0 HA GLU A 100 15.133 -4.241 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.221 -4.360 6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.110 -5.571 6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 100 15.040 -6.653 7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.013 -6.956 5.381 1.00 0.00 H new ATOM 536 N ASN A 101 12.166 -5.409 3.499 1.00 0.00 N ATOM 537 CA ASN A 101 11.437 -6.192 2.497 1.00 0.00 C ATOM 538 C ASN A 101 10.929 -5.298 1.396 1.00 0.00 C ATOM 539 O ASN A 101 10.535 -5.767 0.326 1.00 0.00 O ATOM 540 CB ASN A 101 10.228 -6.878 3.125 1.00 0.00 C ATOM 541 CG ASN A 101 10.571 -7.905 4.172 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.724 -9.088 3.875 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.710 -7.462 5.390 1.00 0.00 N ATOM 0 H ASN A 101 11.568 -4.917 4.162 1.00 0.00 H new ATOM 0 HA ASN A 101 12.129 -6.934 2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.587 -6.119 3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.648 -7.359 2.337 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.955 -8.106 6.142 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.573 -6.471 5.591 1.00 0.00 H new ATOM 550 N GLY A 102 10.947 -4.013 1.648 1.00 0.00 N ATOM 551 CA GLY A 102 10.410 -3.070 0.706 1.00 0.00 C ATOM 552 C GLY A 102 8.901 -3.045 0.795 1.00 0.00 C ATOM 553 O GLY A 102 8.205 -2.838 -0.202 1.00 0.00 O ATOM 0 H GLY A 102 11.328 -3.598 2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.810 -2.076 0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.718 -3.339 -0.305 1.00 0.00 H new ATOM 557 N THR A 103 8.387 -3.271 1.979 1.00 0.00 N ATOM 558 CA THR A 103 6.969 -3.294 2.184 1.00 0.00 C ATOM 559 C THR A 103 6.537 -2.145 3.059 1.00 0.00 C ATOM 560 O THR A 103 7.353 -1.549 3.732 1.00 0.00 O ATOM 561 CB THR A 103 6.535 -4.637 2.795 1.00 0.00 C ATOM 562 OG1 THR A 103 7.326 -4.911 3.963 1.00 0.00 O ATOM 563 CG2 THR A 103 6.710 -5.766 1.799 1.00 0.00 C ATOM 0 H THR A 103 8.940 -3.442 2.819 1.00 0.00 H new ATOM 0 HA THR A 103 6.481 -3.184 1.216 1.00 0.00 H new ATOM 0 HB THR A 103 5.481 -4.568 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.048 -5.766 4.353 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.396 -6.705 2.255 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.101 -5.570 0.916 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.758 -5.836 1.509 1.00 0.00 H new ATOM 571 N ALA A 104 5.288 -1.817 3.020 1.00 0.00 N ATOM 572 CA ALA A 104 4.771 -0.764 3.833 1.00 0.00 C ATOM 573 C ALA A 104 3.482 -1.188 4.467 1.00 0.00 C ATOM 574 O ALA A 104 2.669 -1.895 3.851 1.00 0.00 O ATOM 575 CB ALA A 104 4.559 0.489 3.010 1.00 0.00 C ATOM 0 H ALA A 104 4.596 -2.271 2.424 1.00 0.00 H new ATOM 0 HA ALA A 104 5.496 -0.544 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.164 1.280 3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.509 0.808 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.851 0.282 2.208 1.00 0.00 H new ATOM 581 N ALA A 105 3.312 -0.801 5.687 1.00 0.00 N ATOM 582 CA ALA A 105 2.109 -1.035 6.396 1.00 0.00 C ATOM 583 C ALA A 105 1.220 0.136 6.137 1.00 0.00 C ATOM 584 O ALA A 105 1.598 1.288 6.392 1.00 0.00 O ATOM 585 CB ALA A 105 2.391 -1.178 7.861 1.00 0.00 C ATOM 0 H ALA A 105 4.022 -0.304 6.225 1.00 0.00 H new ATOM 0 HA ALA A 105 1.631 -1.958 6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.458 -1.358 8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.068 -2.017 8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.852 -0.263 8.234 1.00 0.00 H new ATOM 591 N ILE A 106 0.081 -0.128 5.615 1.00 0.00 N ATOM 592 CA ILE A 106 -0.808 0.906 5.185 1.00 0.00 C ATOM 593 C ILE A 106 -2.160 0.737 5.835 1.00 0.00 C ATOM 594 O ILE A 106 -2.545 -0.371 6.183 1.00 0.00 O ATOM 595 CB ILE A 106 -0.943 0.878 3.627 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.426 -0.494 3.128 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.350 1.261 2.943 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.894 -0.555 2.906 1.00 0.00 C ATOM 0 H ILE A 106 -0.272 -1.074 5.469 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.400 1.871 5.485 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.695 1.622 3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.914 -0.735 2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.143 -1.257 3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.213 1.229 1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.635 2.269 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.135 0.561 3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.168 -1.550 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.412 -0.345 3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.180 0.185 2.159 1.00 0.00 H new ATOM 610 N THR A 107 -2.844 1.817 6.034 1.00 0.00 N ATOM 611 CA THR A 107 -4.166 1.795 6.571 1.00 0.00 C ATOM 612 C THR A 107 -5.126 2.468 5.602 1.00 0.00 C ATOM 613 O THR A 107 -4.918 3.605 5.188 1.00 0.00 O ATOM 614 CB THR A 107 -4.207 2.440 7.974 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.343 1.681 8.832 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.615 2.422 8.557 1.00 0.00 C ATOM 0 H THR A 107 -2.495 2.752 5.825 1.00 0.00 H new ATOM 0 HA THR A 107 -4.484 0.760 6.695 1.00 0.00 H new ATOM 0 HB THR A 107 -3.887 3.479 7.896 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.349 2.071 9.731 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.606 2.884 9.544 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.287 2.978 7.903 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.961 1.392 8.641 1.00 0.00 H new ATOM 624 N PHE A 108 -6.138 1.733 5.212 1.00 0.00 N ATOM 625 CA PHE A 108 -7.120 2.178 4.253 1.00 0.00 C ATOM 626 C PHE A 108 -7.945 3.320 4.787 1.00 0.00 C ATOM 627 O PHE A 108 -8.462 3.253 5.908 1.00 0.00 O ATOM 628 CB PHE A 108 -7.999 1.014 3.814 1.00 0.00 C ATOM 629 CG PHE A 108 -7.244 -0.005 3.016 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.922 0.270 1.698 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.826 -1.217 3.574 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.209 -0.633 0.938 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.106 -2.117 2.818 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.798 -1.826 1.497 1.00 0.00 C ATOM 0 H PHE A 108 -6.306 0.789 5.559 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.589 2.554 3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.429 0.536 4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.830 1.394 3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.234 1.206 1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.068 -1.449 4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.973 -0.407 -0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.781 -3.050 3.255 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.236 -2.534 0.906 1.00 0.00 H new ATOM 644 N ALA A 109 -8.062 4.356 3.996 1.00 0.00 N ATOM 645 CA ALA A 109 -8.780 5.549 4.384 1.00 0.00 C ATOM 646 C ALA A 109 -10.273 5.289 4.355 1.00 0.00 C ATOM 647 O ALA A 109 -10.781 4.626 3.440 1.00 0.00 O ATOM 648 CB ALA A 109 -8.415 6.707 3.466 1.00 0.00 C ATOM 0 H ALA A 109 -7.661 4.398 3.059 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.496 5.819 5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.963 7.599 3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.344 6.899 3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.676 6.453 2.439 1.00 0.00 H new ATOM 654 N GLY A 110 -10.963 5.757 5.362 1.00 0.00 N ATOM 655 CA GLY A 110 -12.386 5.568 5.446 1.00 0.00 C ATOM 656 C GLY A 110 -12.739 4.273 6.133 1.00 0.00 C ATOM 657 O GLY A 110 -13.423 4.269 7.154 1.00 0.00 O ATOM 0 H GLY A 110 -10.558 6.276 6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.832 6.401 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.814 5.576 4.443 1.00 0.00 H new ATOM 661 N TYR A 111 -12.246 3.178 5.594 1.00 0.00 N ATOM 662 CA TYR A 111 -12.545 1.867 6.121 1.00 0.00 C ATOM 663 C TYR A 111 -11.754 1.613 7.402 1.00 0.00 C ATOM 664 O TYR A 111 -12.295 1.149 8.385 1.00 0.00 O ATOM 665 CB TYR A 111 -12.203 0.806 5.114 1.00 0.00 C ATOM 666 CG TYR A 111 -12.697 1.048 3.707 1.00 0.00 C ATOM 667 CD1 TYR A 111 -14.006 0.780 3.338 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.820 1.507 2.734 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.424 0.967 2.032 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.220 1.694 1.438 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.524 1.421 1.085 1.00 0.00 C ATOM 672 OH TYR A 111 -13.941 1.605 -0.219 1.00 0.00 O ATOM 0 H TYR A 111 -11.629 3.173 4.782 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.612 1.828 6.341 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.119 0.697 5.084 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.609 -0.143 5.463 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.707 0.422 4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.797 1.722 3.006 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.447 0.760 1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.519 2.053 0.698 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.253 1.273 -0.832 1.00 0.00 H new ATOM 682 N GLY A 112 -10.459 1.887 7.368 1.00 0.00 N ATOM 683 CA GLY A 112 -9.656 1.775 8.570 1.00 0.00 C ATOM 684 C GLY A 112 -8.926 0.453 8.766 1.00 0.00 C ATOM 685 O GLY A 112 -8.528 0.142 9.895 1.00 0.00 O ATOM 0 H GLY A 112 -9.951 2.184 6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -8.918 2.577 8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.303 1.941 9.432 1.00 0.00 H new ATOM 689 N ASN A 113 -8.714 -0.327 7.711 1.00 0.00 N ATOM 690 CA ASN A 113 -7.966 -1.583 7.893 1.00 0.00 C ATOM 691 C ASN A 113 -6.535 -1.360 7.564 1.00 0.00 C ATOM 692 O ASN A 113 -6.209 -0.419 6.856 1.00 0.00 O ATOM 693 CB ASN A 113 -8.468 -2.763 7.062 1.00 0.00 C ATOM 694 CG ASN A 113 -9.893 -3.138 7.319 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.449 -2.864 8.380 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.462 -3.821 6.391 1.00 0.00 N ATOM 0 H ASN A 113 -9.029 -0.133 6.760 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.116 -1.854 8.938 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.353 -2.522 6.005 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.836 -3.628 7.262 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.415 -4.160 6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.960 -4.024 5.526 1.00 0.00 H new ATOM 703 N ALA A 114 -5.696 -2.227 8.022 1.00 0.00 N ATOM 704 CA ALA A 114 -4.287 -2.081 7.837 1.00 0.00 C ATOM 705 C ALA A 114 -3.691 -3.365 7.336 1.00 0.00 C ATOM 706 O ALA A 114 -4.015 -4.442 7.842 1.00 0.00 O ATOM 707 CB ALA A 114 -3.630 -1.668 9.140 1.00 0.00 C ATOM 0 H ALA A 114 -5.968 -3.063 8.539 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.110 -1.304 7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.556 -1.560 8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.047 -0.717 9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.814 -2.430 9.898 1.00 0.00 H new ATOM 713 N GLU A 115 -2.854 -3.265 6.342 1.00 0.00 N ATOM 714 CA GLU A 115 -2.190 -4.418 5.810 1.00 0.00 C ATOM 715 C GLU A 115 -0.777 -4.043 5.397 1.00 0.00 C ATOM 716 O GLU A 115 -0.472 -2.853 5.233 1.00 0.00 O ATOM 717 CB GLU A 115 -2.961 -5.034 4.628 1.00 0.00 C ATOM 718 CG GLU A 115 -2.923 -4.277 3.318 1.00 0.00 C ATOM 719 CD GLU A 115 -3.373 -5.168 2.185 1.00 0.00 C ATOM 720 OE1 GLU A 115 -2.520 -5.881 1.624 1.00 0.00 O ATOM 721 OE2 GLU A 115 -4.584 -5.224 1.884 1.00 0.00 O ATOM 0 H GLU A 115 -2.615 -2.387 5.881 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.150 -5.178 6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.569 -6.036 4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.004 -5.147 4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.567 -3.400 3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.912 -3.917 3.127 1.00 0.00 H new ATOM 728 N VAL A 116 0.083 -5.025 5.274 1.00 0.00 N ATOM 729 CA VAL A 116 1.447 -4.799 4.856 1.00 0.00 C ATOM 730 C VAL A 116 1.583 -5.219 3.403 1.00 0.00 C ATOM 731 O VAL A 116 1.486 -6.412 3.068 1.00 0.00 O ATOM 732 CB VAL A 116 2.466 -5.580 5.730 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.896 -5.264 5.312 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.263 -5.270 7.204 1.00 0.00 C ATOM 0 H VAL A 116 -0.142 -6.002 5.460 1.00 0.00 H new ATOM 0 HA VAL A 116 1.672 -3.739 4.975 1.00 0.00 H new ATOM 0 HB VAL A 116 2.292 -6.645 5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.590 -5.823 5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.041 -5.546 4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.082 -4.196 5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.988 -5.828 7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.401 -4.202 7.374 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.254 -5.557 7.501 1.00 0.00 H new ATOM 744 N THR A 117 1.799 -4.266 2.561 1.00 0.00 N ATOM 745 CA THR A 117 1.858 -4.501 1.144 1.00 0.00 C ATOM 746 C THR A 117 3.142 -3.864 0.574 1.00 0.00 C ATOM 747 O THR A 117 3.594 -2.830 1.077 1.00 0.00 O ATOM 748 CB THR A 117 0.561 -3.981 0.430 1.00 0.00 C ATOM 749 OG1 THR A 117 0.488 -4.452 -0.930 1.00 0.00 O ATOM 750 CG2 THR A 117 0.487 -2.468 0.447 1.00 0.00 C ATOM 0 H THR A 117 1.942 -3.293 2.831 1.00 0.00 H new ATOM 0 HA THR A 117 1.900 -5.573 0.954 1.00 0.00 H new ATOM 0 HB THR A 117 -0.287 -4.378 0.987 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.331 -4.114 -1.350 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.424 -2.143 -0.056 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.478 -2.116 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.354 -2.056 -0.069 1.00 0.00 H new ATOM 758 N PRO A 118 3.813 -4.525 -0.389 1.00 0.00 N ATOM 759 CA PRO A 118 5.052 -4.021 -0.980 1.00 0.00 C ATOM 760 C PRO A 118 4.883 -2.659 -1.651 1.00 0.00 C ATOM 761 O PRO A 118 3.814 -2.343 -2.180 1.00 0.00 O ATOM 762 CB PRO A 118 5.422 -5.081 -2.015 1.00 0.00 C ATOM 763 CG PRO A 118 4.168 -5.806 -2.288 1.00 0.00 C ATOM 764 CD PRO A 118 3.396 -5.790 -1.006 1.00 0.00 C ATOM 0 HA PRO A 118 5.816 -3.864 -0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.819 -4.625 -2.922 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.191 -5.753 -1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.606 -5.325 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.370 -6.828 -2.609 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.321 -5.819 -1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.639 -6.646 -0.377 1.00 0.00 H new ATOM 772 N LEU A 119 5.950 -1.874 -1.641 1.00 0.00 N ATOM 773 CA LEU A 119 5.984 -0.534 -2.251 1.00 0.00 C ATOM 774 C LEU A 119 5.674 -0.601 -3.740 1.00 0.00 C ATOM 775 O LEU A 119 5.217 0.372 -4.337 1.00 0.00 O ATOM 776 CB LEU A 119 7.349 0.125 -2.024 1.00 0.00 C ATOM 777 CG LEU A 119 7.778 0.291 -0.562 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.159 0.895 -0.466 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.783 1.120 0.227 1.00 0.00 C ATOM 0 H LEU A 119 6.832 -2.144 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 119 5.216 0.072 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.106 -0.466 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.338 1.109 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 119 7.804 -0.706 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.438 1.001 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.876 0.245 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.161 1.875 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.124 1.214 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.700 2.111 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.809 0.632 0.210 1.00 0.00 H new ATOM 791 N LEU A 120 5.956 -1.751 -4.327 1.00 0.00 N ATOM 792 CA LEU A 120 5.676 -2.019 -5.730 1.00 0.00 C ATOM 793 C LEU A 120 4.175 -1.990 -5.981 1.00 0.00 C ATOM 794 O LEU A 120 3.720 -1.605 -7.049 1.00 0.00 O ATOM 795 CB LEU A 120 6.294 -3.384 -6.143 1.00 0.00 C ATOM 796 CG LEU A 120 5.564 -4.670 -5.715 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.546 -5.071 -6.768 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.549 -5.797 -5.453 1.00 0.00 C ATOM 0 H LEU A 120 6.390 -2.534 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 120 6.132 -1.242 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.381 -3.396 -7.229 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.307 -3.426 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 120 5.036 -4.471 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.037 -5.982 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.816 -4.271 -6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.054 -5.248 -7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.005 -6.693 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.115 -6.004 -6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.234 -5.504 -4.657 1.00 0.00 H new ATOM 810 N ASN A 121 3.419 -2.374 -4.973 1.00 0.00 N ATOM 811 CA ASN A 121 1.972 -2.448 -5.059 1.00 0.00 C ATOM 812 C ASN A 121 1.333 -1.123 -4.792 1.00 0.00 C ATOM 813 O ASN A 121 0.161 -0.917 -5.124 1.00 0.00 O ATOM 814 CB ASN A 121 1.405 -3.490 -4.091 1.00 0.00 C ATOM 815 CG ASN A 121 1.367 -4.885 -4.644 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.267 -5.094 -5.855 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.369 -5.842 -3.768 1.00 0.00 N ATOM 0 H ASN A 121 3.793 -2.646 -4.064 1.00 0.00 H new ATOM 0 HA ASN A 121 1.738 -2.749 -6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 121 2.004 -3.488 -3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.394 -3.195 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.286 -6.812 -4.072 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.454 -5.624 -2.775 1.00 0.00 H new ATOM 824 N LEU A 122 2.084 -0.223 -4.211 1.00 0.00 N ATOM 825 CA LEU A 122 1.556 1.062 -3.873 1.00 0.00 C ATOM 826 C LEU A 122 1.570 1.968 -5.071 1.00 0.00 C ATOM 827 O LEU A 122 2.580 2.092 -5.772 1.00 0.00 O ATOM 828 CB LEU A 122 2.338 1.677 -2.719 1.00 0.00 C ATOM 829 CG LEU A 122 2.281 0.927 -1.396 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.054 1.678 -0.334 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.842 0.717 -0.963 1.00 0.00 C ATOM 0 H LEU A 122 3.064 -0.362 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 122 0.522 0.937 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.382 1.763 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.969 2.689 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 122 2.741 -0.052 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.005 1.130 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.095 1.776 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.620 2.669 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.822 0.179 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.354 1.684 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.315 0.137 -1.721 1.00 0.00 H new ATOM 843 N LYS A 123 0.454 2.578 -5.311 1.00 0.00 N ATOM 844 CA LYS A 123 0.275 3.487 -6.418 1.00 0.00 C ATOM 845 C LYS A 123 0.013 4.878 -5.889 1.00 0.00 C ATOM 846 O LYS A 123 -0.344 5.020 -4.724 1.00 0.00 O ATOM 847 CB LYS A 123 -0.887 3.023 -7.303 1.00 0.00 C ATOM 848 CG LYS A 123 -0.697 1.649 -7.879 1.00 0.00 C ATOM 849 CD LYS A 123 -1.815 1.303 -8.845 1.00 0.00 C ATOM 850 CE LYS A 123 -1.542 0.009 -9.607 1.00 0.00 C ATOM 851 NZ LYS A 123 -1.433 -1.177 -8.725 1.00 0.00 N ATOM 0 H LYS A 123 -0.381 2.462 -4.736 1.00 0.00 H new ATOM 0 HA LYS A 123 1.181 3.500 -7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.806 3.038 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -1.017 3.734 -8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 123 0.262 1.597 -8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -0.667 0.915 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.751 1.207 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -1.945 2.120 -9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -2.342 -0.156 -10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.618 0.118 -10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.264 -2.025 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.641 -1.046 -8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -2.317 -1.293 -8.189 1.00 0.00 H new ATOM 865 N PRO A 124 0.201 5.919 -6.699 1.00 0.00 N ATOM 866 CA PRO A 124 -0.109 7.278 -6.286 1.00 0.00 C ATOM 867 C PRO A 124 -1.623 7.498 -6.226 1.00 0.00 C ATOM 868 O PRO A 124 -2.387 6.810 -6.904 1.00 0.00 O ATOM 869 CB PRO A 124 0.524 8.144 -7.380 1.00 0.00 C ATOM 870 CG PRO A 124 0.560 7.272 -8.581 1.00 0.00 C ATOM 871 CD PRO A 124 0.739 5.869 -8.074 1.00 0.00 C ATOM 0 HA PRO A 124 0.267 7.513 -5.290 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -0.064 9.044 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.525 8.469 -7.097 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -0.361 7.364 -9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 124 1.379 7.554 -9.243 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.198 5.150 -8.689 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.788 5.571 -8.083 1.00 0.00 H new ATOM 879 N VAL A 125 -2.043 8.420 -5.414 1.00 0.00 N ATOM 880 CA VAL A 125 -3.457 8.712 -5.253 1.00 0.00 C ATOM 881 C VAL A 125 -3.911 9.830 -6.176 1.00 0.00 C ATOM 882 O VAL A 125 -3.100 10.438 -6.887 1.00 0.00 O ATOM 883 CB VAL A 125 -3.807 9.126 -3.800 1.00 0.00 C ATOM 884 CG1 VAL A 125 -3.583 7.992 -2.851 1.00 0.00 C ATOM 885 CG2 VAL A 125 -3.007 10.349 -3.359 1.00 0.00 C ATOM 0 H VAL A 125 -1.427 8.996 -4.841 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.975 7.787 -5.505 1.00 0.00 H new ATOM 0 HB VAL A 125 -4.865 9.389 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.836 8.309 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.213 7.149 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -2.536 7.690 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.277 10.611 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -1.942 10.123 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -3.230 11.187 -4.019 1.00 0.00 H new ATOM 895 N GLU A 126 -5.199 10.070 -6.180 1.00 0.00 N ATOM 896 CA GLU A 126 -5.768 11.199 -6.851 1.00 0.00 C ATOM 897 C GLU A 126 -6.284 12.138 -5.776 1.00 0.00 C ATOM 898 O GLU A 126 -6.825 11.680 -4.752 1.00 0.00 O ATOM 899 CB GLU A 126 -6.879 10.783 -7.822 1.00 0.00 C ATOM 900 CG GLU A 126 -8.012 10.000 -7.192 1.00 0.00 C ATOM 901 CD GLU A 126 -9.092 9.652 -8.175 1.00 0.00 C ATOM 902 OE1 GLU A 126 -8.859 8.802 -9.048 1.00 0.00 O ATOM 903 OE2 GLU A 126 -10.199 10.232 -8.102 1.00 0.00 O ATOM 0 H GLU A 126 -5.884 9.477 -5.711 1.00 0.00 H new ATOM 0 HA GLU A 126 -5.016 11.696 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -7.290 11.679 -8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -6.440 10.183 -8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -7.616 9.084 -6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -8.442 10.583 -6.377 1.00 0.00 H new ATOM 910 N GLU A 127 -6.098 13.404 -5.964 1.00 0.00 N ATOM 911 CA GLU A 127 -6.442 14.364 -4.948 1.00 0.00 C ATOM 912 C GLU A 127 -7.346 15.455 -5.493 1.00 0.00 C ATOM 913 O GLU A 127 -7.098 16.009 -6.566 1.00 0.00 O ATOM 914 CB GLU A 127 -5.165 14.963 -4.326 1.00 0.00 C ATOM 915 CG GLU A 127 -4.237 15.648 -5.328 1.00 0.00 C ATOM 916 CD GLU A 127 -3.009 16.230 -4.685 1.00 0.00 C ATOM 917 OE1 GLU A 127 -3.119 17.242 -3.966 1.00 0.00 O ATOM 918 OE2 GLU A 127 -1.905 15.709 -4.903 1.00 0.00 O ATOM 0 H GLU A 127 -5.707 13.807 -6.816 1.00 0.00 H new ATOM 0 HA GLU A 127 -6.999 13.845 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.452 15.686 -3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.614 14.169 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.936 14.927 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -4.784 16.441 -5.839 1.00 0.00 H new ATOM 925 N GLY A 128 -8.395 15.736 -4.774 1.00 0.00 N ATOM 926 CA GLY A 128 -9.289 16.788 -5.141 1.00 0.00 C ATOM 927 C GLY A 128 -10.126 17.179 -3.969 1.00 0.00 C ATOM 928 O GLY A 128 -9.710 18.055 -3.207 1.00 0.00 O ATOM 929 OXT GLY A 128 -11.188 16.572 -3.754 1.00 0.00 O ATOM 0 H GLY A 128 -8.651 15.242 -3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.724 17.649 -5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.928 16.463 -5.962 1.00 0.00 H new TER 933 GLY A 128 HETATM 934 N 2MR A1129 -17.836 -4.649 0.982 1.00 0.00 N HETATM 935 CA 2MR A1129 -16.785 -4.113 0.114 1.00 0.00 C HETATM 936 CB 2MR A1129 -15.510 -3.813 0.905 1.00 0.00 C HETATM 937 CG 2MR A1129 -15.664 -2.834 2.038 1.00 0.00 C HETATM 938 CD 2MR A1129 -14.346 -2.631 2.729 1.00 0.00 C HETATM 939 NE 2MR A1129 -13.319 -2.226 1.777 1.00 0.00 N HETATM 940 CZ 2MR A1129 -12.073 -1.964 2.074 1.00 0.00 C HETATM 941 NH1 2MR A1129 -11.672 -2.069 3.384 1.00 0.00 N HETATM 942 CQ1 2MR A1129 -10.358 -1.842 4.020 1.00 0.00 C HETATM 943 NH2 2MR A1129 -11.247 -1.632 1.050 1.00 0.00 N HETATM 944 CQ2 2MR A1129 -9.832 -1.287 1.032 1.00 0.00 C HETATM 945 C 2MR A1129 -16.486 -5.137 -0.948 1.00 0.00 C HETATM 946 O 2MR A1129 -16.639 -4.842 -2.136 1.00 0.00 O HETATM 947 OXT 2MR A1129 -16.151 -6.285 -0.596 1.00 0.00 O HETATM 0 HQ23 2MR A1129 -9.665 -0.403 1.648 1.00 0.00 H new HETATM 0 HQ22 2MR A1129 -9.249 -2.119 1.427 1.00 0.00 H new HETATM 0 HQ21 2MR A1129 -9.521 -1.080 0.008 1.00 0.00 H new HETATM 0 HQ13 2MR A1129 -9.622 -2.519 3.586 1.00 0.00 H new HETATM 0 HQ12 2MR A1129 -10.046 -0.811 3.853 1.00 0.00 H new HETATM 0 HQ11 2MR A1129 -10.435 -2.028 5.091 1.00 0.00 H new HETATM 0 HH2 2MR A1129 -11.695 -1.622 0.134 1.00 0.00 H new HETATM 0 HG3 2MR A1129 -16.034 -1.882 1.658 1.00 0.00 H new HETATM 0 HG2 2MR A1129 -16.403 -3.203 2.749 1.00 0.00 H new HETATM 0 HE 2MR A1129 -13.595 -2.140 0.799 1.00 0.00 H new HETATM 0 HD3 2MR A1129 -14.450 -1.871 3.504 1.00 0.00 H new HETATM 0 HD2 2MR A1129 -14.045 -3.553 3.225 1.00 0.00 H new HETATM 0 HB3 2MR A1129 -15.124 -4.750 1.308 1.00 0.00 H new HETATM 0 HB2 2MR A1129 -14.758 -3.429 0.216 1.00 0.00 H new HETATM 0 HA 2MR A1129 -17.130 -3.179 -0.330 1.00 0.00 H new HETATM 0 H2 2MR A1129 -18.745 -4.895 0.590 1.00 0.00 H new HETATM 0 H 2MR A1129 -17.659 -4.776 1.979 1.00 0.00 H new