USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 404 hydrogens (0 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 Set 1.1: A 48 MET CE :methyl -121:sc= -0.737 (180deg=-0.832) USER MOD Set 1.2: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 55 TYR OH : rot -6:sc= 0.422 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0974 K(o=-0.097,f=-1.6!) USER MOD Single : A 59 TYR OH : rot 15:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -44:sc= 0.0359 USER MOD Single : A 66 MET CE :methyl -139:sc=-0.00741 (180deg=-0.755) USER MOD Single : A 72 ASN : amide:sc= -0.0255 X(o=-0.026,f=0.0075) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -9.262 7.029 27.650 1.00 0.00 N ATOM 2 CA GLY A 19 -8.869 5.981 26.684 1.00 0.00 C ATOM 3 C GLY A 19 -7.625 6.376 25.902 1.00 0.00 C ATOM 4 O GLY A 19 -7.358 7.562 25.703 1.00 0.00 O ATOM 0 HA2 GLY A 19 -8.684 5.047 27.215 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.691 5.797 25.992 1.00 0.00 H new ATOM 10 N ASP A 20 -6.854 5.386 25.446 1.00 0.00 N ATOM 11 CA ASP A 20 -5.618 5.550 24.661 1.00 0.00 C ATOM 12 C ASP A 20 -5.453 4.458 23.581 1.00 0.00 C ATOM 13 O ASP A 20 -6.177 3.455 23.576 1.00 0.00 O ATOM 14 CB ASP A 20 -4.404 5.584 25.610 1.00 0.00 C ATOM 15 CG ASP A 20 -4.124 4.228 26.283 1.00 0.00 C ATOM 16 OD1 ASP A 20 -4.720 3.939 27.350 1.00 0.00 O ATOM 17 OD2 ASP A 20 -3.289 3.453 25.758 1.00 0.00 O ATOM 0 H ASP A 20 -7.079 4.406 25.618 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.684 6.498 24.126 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.522 5.894 25.050 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.574 6.337 26.380 1.00 0.00 H new ATOM 22 N LYS A 21 -4.497 4.656 22.662 1.00 0.00 N ATOM 23 CA LYS A 21 -4.133 3.726 21.575 1.00 0.00 C ATOM 24 C LYS A 21 -2.643 3.807 21.208 1.00 0.00 C ATOM 25 O LYS A 21 -1.933 4.719 21.632 1.00 0.00 O ATOM 26 CB LYS A 21 -5.048 3.974 20.357 1.00 0.00 C ATOM 27 CG LYS A 21 -4.874 5.368 19.725 1.00 0.00 C ATOM 28 CD LYS A 21 -5.776 5.566 18.500 1.00 0.00 C ATOM 29 CE LYS A 21 -7.261 5.681 18.867 1.00 0.00 C ATOM 30 NZ LYS A 21 -8.094 5.912 17.658 1.00 0.00 N ATOM 0 H LYS A 21 -3.930 5.504 22.653 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.290 2.707 21.927 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.846 3.215 19.602 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.087 3.851 20.663 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.100 6.133 20.468 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.833 5.505 19.433 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.467 6.466 17.969 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.640 4.729 17.815 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.587 4.769 19.368 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.402 6.500 19.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.094 5.986 17.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.797 6.794 17.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.975 5.117 16.998 1.00 0.00 H new ATOM 44 N GLU A 22 -2.178 2.853 20.399 1.00 0.00 N ATOM 45 CA GLU A 22 -0.767 2.675 20.005 1.00 0.00 C ATOM 46 C GLU A 22 -0.574 2.258 18.526 1.00 0.00 C ATOM 47 O GLU A 22 0.496 1.777 18.144 1.00 0.00 O ATOM 48 CB GLU A 22 -0.086 1.700 20.987 1.00 0.00 C ATOM 49 CG GLU A 22 -0.711 0.294 21.019 1.00 0.00 C ATOM 50 CD GLU A 22 0.108 -0.664 21.908 1.00 0.00 C ATOM 51 OE1 GLU A 22 0.188 -0.446 23.141 1.00 0.00 O ATOM 52 OE2 GLU A 22 0.665 -1.661 21.382 1.00 0.00 O ATOM 0 H GLU A 22 -2.792 2.154 19.981 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.281 3.648 20.069 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.967 1.611 20.720 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.126 2.126 21.990 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.733 0.357 21.393 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.766 -0.105 20.006 1.00 0.00 H new ATOM 59 N GLU A 23 -1.605 2.404 17.684 1.00 0.00 N ATOM 60 CA GLU A 23 -1.605 1.966 16.279 1.00 0.00 C ATOM 61 C GLU A 23 -0.544 2.654 15.388 1.00 0.00 C ATOM 62 O GLU A 23 -0.101 3.779 15.642 1.00 0.00 O ATOM 63 CB GLU A 23 -3.018 2.107 15.672 1.00 0.00 C ATOM 64 CG GLU A 23 -3.508 3.558 15.493 1.00 0.00 C ATOM 65 CD GLU A 23 -4.919 3.646 14.865 1.00 0.00 C ATOM 66 OE1 GLU A 23 -5.280 2.803 14.006 1.00 0.00 O ATOM 67 OE2 GLU A 23 -5.681 4.580 15.212 1.00 0.00 O ATOM 0 H GLU A 23 -2.483 2.840 17.965 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.316 0.915 16.297 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.031 1.613 14.701 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.726 1.576 16.309 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.516 4.055 16.463 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.802 4.099 14.863 1.00 0.00 H new ATOM 74 N CYS A 24 -0.168 1.975 14.301 1.00 0.00 N ATOM 75 CA CYS A 24 0.757 2.466 13.276 1.00 0.00 C ATOM 76 C CYS A 24 0.158 3.647 12.485 1.00 0.00 C ATOM 77 O CYS A 24 -0.909 3.517 11.876 1.00 0.00 O ATOM 78 CB CYS A 24 1.099 1.310 12.327 1.00 0.00 C ATOM 79 SG CYS A 24 2.319 1.714 11.045 1.00 0.00 S ATOM 0 H CYS A 24 -0.511 1.035 14.103 1.00 0.00 H new ATOM 0 HA CYS A 24 1.660 2.832 13.765 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.475 0.474 12.916 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.183 0.972 11.843 1.00 0.00 H new ATOM 84 N THR A 25 0.850 4.791 12.470 1.00 0.00 N ATOM 85 CA THR A 25 0.512 5.984 11.664 1.00 0.00 C ATOM 86 C THR A 25 1.763 6.648 11.069 1.00 0.00 C ATOM 87 O THR A 25 2.891 6.389 11.501 1.00 0.00 O ATOM 88 CB THR A 25 -0.285 7.025 12.480 1.00 0.00 C ATOM 89 OG1 THR A 25 0.389 7.379 13.670 1.00 0.00 O ATOM 90 CG2 THR A 25 -1.686 6.546 12.863 1.00 0.00 C ATOM 0 H THR A 25 1.689 4.923 13.035 1.00 0.00 H new ATOM 0 HA THR A 25 -0.115 5.627 10.847 1.00 0.00 H new ATOM 0 HB THR A 25 -0.375 7.887 11.819 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.141 8.040 14.162 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.193 7.324 13.435 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.256 6.330 11.960 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.609 5.643 13.468 1.00 0.00 H new ATOM 98 N VAL A 26 1.561 7.519 10.075 1.00 0.00 N ATOM 99 CA VAL A 26 2.587 8.327 9.380 1.00 0.00 C ATOM 100 C VAL A 26 2.069 9.757 9.127 1.00 0.00 C ATOM 101 O VAL A 26 0.849 9.957 9.092 1.00 0.00 O ATOM 102 CB VAL A 26 3.012 7.671 8.043 1.00 0.00 C ATOM 103 CG1 VAL A 26 3.860 6.414 8.266 1.00 0.00 C ATOM 104 CG2 VAL A 26 1.831 7.312 7.135 1.00 0.00 C ATOM 0 H VAL A 26 0.626 7.694 9.708 1.00 0.00 H new ATOM 0 HA VAL A 26 3.463 8.376 10.027 1.00 0.00 H new ATOM 0 HB VAL A 26 3.606 8.434 7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.136 5.986 7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.762 6.677 8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.285 5.684 8.836 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.203 6.857 6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.177 6.608 7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.272 8.215 6.891 1.00 0.00 H new ATOM 114 N PRO A 27 2.948 10.764 8.939 1.00 0.00 N ATOM 115 CA PRO A 27 2.528 12.139 8.652 1.00 0.00 C ATOM 116 C PRO A 27 1.958 12.301 7.231 1.00 0.00 C ATOM 117 O PRO A 27 2.222 11.494 6.334 1.00 0.00 O ATOM 118 CB PRO A 27 3.789 12.989 8.855 1.00 0.00 C ATOM 119 CG PRO A 27 4.924 12.023 8.518 1.00 0.00 C ATOM 120 CD PRO A 27 4.401 10.694 9.059 1.00 0.00 C ATOM 0 HA PRO A 27 1.714 12.446 9.308 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.796 13.861 8.201 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.865 13.357 9.878 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.113 11.978 7.445 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.860 12.315 8.995 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.801 9.855 8.490 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.702 10.548 10.096 1.00 0.00 H new ATOM 128 N ILE A 28 1.230 13.399 6.998 1.00 0.00 N ATOM 129 CA ILE A 28 0.655 13.772 5.688 1.00 0.00 C ATOM 130 C ILE A 28 1.710 13.918 4.572 1.00 0.00 C ATOM 131 O ILE A 28 1.419 13.680 3.399 1.00 0.00 O ATOM 132 CB ILE A 28 -0.218 15.043 5.839 1.00 0.00 C ATOM 133 CG1 ILE A 28 -1.008 15.328 4.543 1.00 0.00 C ATOM 134 CG2 ILE A 28 0.611 16.271 6.263 1.00 0.00 C ATOM 135 CD1 ILE A 28 -2.148 16.338 4.723 1.00 0.00 C ATOM 0 H ILE A 28 1.015 14.075 7.731 1.00 0.00 H new ATOM 0 HA ILE A 28 0.021 12.947 5.364 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.932 14.848 6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.321 15.702 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.420 14.392 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.044 17.137 6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.090 16.073 7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.374 16.472 5.511 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.656 16.487 3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.858 15.958 5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.741 17.288 5.069 1.00 0.00 H new ATOM 147 N GLY A 29 2.951 14.261 4.935 1.00 0.00 N ATOM 148 CA GLY A 29 4.080 14.437 4.015 1.00 0.00 C ATOM 149 C GLY A 29 4.848 13.151 3.663 1.00 0.00 C ATOM 150 O GLY A 29 5.869 13.236 2.975 1.00 0.00 O ATOM 0 H GLY A 29 3.205 14.429 5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.709 14.883 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.778 15.149 4.455 1.00 0.00 H new ATOM 154 N TRP A 30 4.411 11.974 4.131 1.00 0.00 N ATOM 155 CA TRP A 30 5.035 10.683 3.811 1.00 0.00 C ATOM 156 C TRP A 30 4.928 10.336 2.310 1.00 0.00 C ATOM 157 O TRP A 30 4.042 10.820 1.600 1.00 0.00 O ATOM 158 CB TRP A 30 4.397 9.598 4.693 1.00 0.00 C ATOM 159 CG TRP A 30 5.083 8.269 4.645 1.00 0.00 C ATOM 160 CD1 TRP A 30 4.820 7.287 3.754 1.00 0.00 C ATOM 161 CD2 TRP A 30 6.192 7.783 5.462 1.00 0.00 C ATOM 162 NE1 TRP A 30 5.710 6.245 3.933 1.00 0.00 N ATOM 163 CE2 TRP A 30 6.589 6.506 4.962 1.00 0.00 C ATOM 164 CE3 TRP A 30 6.923 8.306 6.551 1.00 0.00 C ATOM 165 CZ2 TRP A 30 7.678 5.800 5.495 1.00 0.00 C ATOM 166 CZ3 TRP A 30 8.000 7.592 7.111 1.00 0.00 C ATOM 167 CH2 TRP A 30 8.383 6.346 6.581 1.00 0.00 C ATOM 0 H TRP A 30 3.605 11.891 4.750 1.00 0.00 H new ATOM 0 HA TRP A 30 6.103 10.744 4.023 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.385 9.948 5.725 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.358 9.467 4.389 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.033 7.313 3.014 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.716 5.391 3.375 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.652 9.268 6.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.971 4.849 5.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.536 8.004 7.953 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.218 5.810 7.008 1.00 0.00 H new ATOM 178 N SER A 31 5.815 9.462 1.824 1.00 0.00 N ATOM 179 CA SER A 31 5.888 8.949 0.444 1.00 0.00 C ATOM 180 C SER A 31 4.764 7.944 0.103 1.00 0.00 C ATOM 181 O SER A 31 5.016 6.792 -0.257 1.00 0.00 O ATOM 182 CB SER A 31 7.273 8.318 0.211 1.00 0.00 C ATOM 183 OG SER A 31 8.318 9.240 0.496 1.00 0.00 O ATOM 0 H SER A 31 6.547 9.068 2.415 1.00 0.00 H new ATOM 0 HA SER A 31 5.742 9.796 -0.227 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.383 7.435 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.353 7.984 -0.823 1.00 0.00 H new ATOM 0 HG SER A 31 9.185 8.810 0.341 1.00 0.00 H new ATOM 189 N GLU A 32 3.503 8.364 0.231 1.00 0.00 N ATOM 190 CA GLU A 32 2.313 7.592 -0.169 1.00 0.00 C ATOM 191 C GLU A 32 2.234 7.336 -1.699 1.00 0.00 C ATOM 192 O GLU A 32 2.796 8.111 -2.484 1.00 0.00 O ATOM 193 CB GLU A 32 1.043 8.300 0.349 1.00 0.00 C ATOM 194 CG GLU A 32 0.834 9.725 -0.187 1.00 0.00 C ATOM 195 CD GLU A 32 -0.514 10.315 0.280 1.00 0.00 C ATOM 196 OE1 GLU A 32 -0.744 10.439 1.508 1.00 0.00 O ATOM 197 OE2 GLU A 32 -1.352 10.683 -0.580 1.00 0.00 O ATOM 0 H GLU A 32 3.270 9.275 0.626 1.00 0.00 H new ATOM 0 HA GLU A 32 2.393 6.605 0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.175 7.697 0.085 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.084 8.339 1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.649 10.365 0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.869 9.714 -1.276 1.00 0.00 H new ATOM 204 N PRO A 33 1.530 6.275 -2.150 1.00 0.00 N ATOM 205 CA PRO A 33 1.320 5.989 -3.574 1.00 0.00 C ATOM 206 C PRO A 33 0.301 6.931 -4.243 1.00 0.00 C ATOM 207 O PRO A 33 -0.339 7.760 -3.591 1.00 0.00 O ATOM 208 CB PRO A 33 0.850 4.531 -3.610 1.00 0.00 C ATOM 209 CG PRO A 33 0.100 4.368 -2.291 1.00 0.00 C ATOM 210 CD PRO A 33 0.932 5.220 -1.336 1.00 0.00 C ATOM 0 HA PRO A 33 2.236 6.150 -4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.204 4.338 -4.466 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.690 3.840 -3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.928 4.723 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.057 3.326 -1.974 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.309 5.642 -0.547 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.701 4.621 -0.849 1.00 0.00 H new ATOM 218 N VAL A 34 0.120 6.769 -5.561 1.00 0.00 N ATOM 219 CA VAL A 34 -0.862 7.493 -6.389 1.00 0.00 C ATOM 220 C VAL A 34 -1.841 6.524 -7.063 1.00 0.00 C ATOM 221 O VAL A 34 -1.457 5.440 -7.511 1.00 0.00 O ATOM 222 CB VAL A 34 -0.147 8.418 -7.396 1.00 0.00 C ATOM 223 CG1 VAL A 34 0.570 7.660 -8.519 1.00 0.00 C ATOM 224 CG2 VAL A 34 -1.107 9.435 -8.024 1.00 0.00 C ATOM 0 H VAL A 34 0.673 6.105 -6.103 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.462 8.132 -5.741 1.00 0.00 H new ATOM 0 HB VAL A 34 0.605 8.939 -6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.050 8.372 -9.190 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.324 7.001 -8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.154 7.067 -9.078 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.561 10.065 -8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.902 8.908 -8.552 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.542 10.056 -7.241 1.00 0.00 H new ATOM 234 N LYS A 35 -3.119 6.912 -7.117 1.00 0.00 N ATOM 235 CA LYS A 35 -4.209 6.146 -7.742 1.00 0.00 C ATOM 236 C LYS A 35 -4.238 6.365 -9.263 1.00 0.00 C ATOM 237 O LYS A 35 -3.995 7.475 -9.740 1.00 0.00 O ATOM 238 CB LYS A 35 -5.531 6.589 -7.089 1.00 0.00 C ATOM 239 CG LYS A 35 -6.664 5.559 -7.247 1.00 0.00 C ATOM 240 CD LYS A 35 -8.034 6.133 -6.851 1.00 0.00 C ATOM 241 CE LYS A 35 -8.090 6.541 -5.370 1.00 0.00 C ATOM 242 NZ LYS A 35 -9.413 7.111 -5.006 1.00 0.00 N ATOM 0 H LYS A 35 -3.436 7.794 -6.716 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.055 5.079 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.361 6.771 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.846 7.535 -7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.701 5.218 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.447 4.686 -6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.256 7.000 -7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.808 5.391 -7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.884 5.672 -4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.309 7.273 -5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.413 7.374 -4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.599 7.955 -5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.155 6.403 -5.178 1.00 0.00 H new ATOM 256 N GLY A 36 -4.608 5.334 -10.023 1.00 0.00 N ATOM 257 CA GLY A 36 -4.798 5.386 -11.482 1.00 0.00 C ATOM 258 C GLY A 36 -6.190 5.842 -11.962 1.00 0.00 C ATOM 259 O GLY A 36 -6.378 6.031 -13.164 1.00 0.00 O ATOM 0 H GLY A 36 -4.791 4.409 -9.633 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.051 6.059 -11.903 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.600 4.395 -11.891 1.00 0.00 H new ATOM 263 N LEU A 37 -7.165 6.013 -11.053 1.00 0.00 N ATOM 264 CA LEU A 37 -8.574 6.395 -11.316 1.00 0.00 C ATOM 265 C LEU A 37 -9.306 5.485 -12.340 1.00 0.00 C ATOM 266 O LEU A 37 -10.250 5.894 -13.021 1.00 0.00 O ATOM 267 CB LEU A 37 -8.673 7.902 -11.649 1.00 0.00 C ATOM 268 CG LEU A 37 -8.528 8.848 -10.441 1.00 0.00 C ATOM 269 CD1 LEU A 37 -7.080 9.084 -10.013 1.00 0.00 C ATOM 270 CD2 LEU A 37 -9.124 10.204 -10.806 1.00 0.00 C ATOM 0 H LEU A 37 -6.987 5.882 -10.057 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.124 6.221 -10.391 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.902 8.149 -12.379 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.635 8.091 -12.126 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.045 8.368 -9.610 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.059 9.760 -9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.623 8.134 -9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.524 9.527 -10.839 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.028 10.884 -9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.593 10.616 -11.664 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.178 10.083 -11.056 1.00 0.00 H new ATOM 282 N CYS A 38 -8.861 4.234 -12.444 1.00 0.00 N ATOM 283 CA CYS A 38 -9.363 3.211 -13.370 1.00 0.00 C ATOM 284 C CYS A 38 -10.801 2.745 -13.043 1.00 0.00 C ATOM 285 O CYS A 38 -11.353 3.041 -11.979 1.00 0.00 O ATOM 286 CB CYS A 38 -8.394 2.014 -13.362 1.00 0.00 C ATOM 287 SG CYS A 38 -6.633 2.448 -13.280 1.00 0.00 S ATOM 0 H CYS A 38 -8.103 3.885 -11.857 1.00 0.00 H new ATOM 0 HA CYS A 38 -9.411 3.658 -14.363 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.635 1.377 -12.511 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.565 1.422 -14.261 1.00 0.00 H new ATOM 292 N LYS A 39 -11.396 1.952 -13.946 1.00 0.00 N ATOM 293 CA LYS A 39 -12.762 1.394 -13.834 1.00 0.00 C ATOM 294 C LYS A 39 -12.901 0.209 -12.853 1.00 0.00 C ATOM 295 O LYS A 39 -14.011 -0.290 -12.663 1.00 0.00 O ATOM 296 CB LYS A 39 -13.271 1.008 -15.241 1.00 0.00 C ATOM 297 CG LYS A 39 -13.222 2.139 -16.290 1.00 0.00 C ATOM 298 CD LYS A 39 -14.028 3.403 -15.934 1.00 0.00 C ATOM 299 CE LYS A 39 -15.546 3.179 -15.837 1.00 0.00 C ATOM 300 NZ LYS A 39 -16.166 2.932 -17.168 1.00 0.00 N ATOM 0 H LYS A 39 -10.927 1.668 -14.806 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.381 2.180 -13.402 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.679 0.169 -15.607 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.300 0.658 -15.155 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.181 2.423 -16.445 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.590 1.748 -17.239 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.668 3.793 -14.982 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.833 4.168 -16.686 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.745 2.330 -15.183 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.011 4.051 -15.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.189 2.787 -17.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.000 3.752 -17.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.742 2.084 -17.597 1.00 0.00 H new ATOM 314 N ALA A 40 -11.806 -0.235 -12.227 1.00 0.00 N ATOM 315 CA ALA A 40 -11.742 -1.357 -11.281 1.00 0.00 C ATOM 316 C ALA A 40 -11.014 -0.994 -9.968 1.00 0.00 C ATOM 317 O ALA A 40 -10.337 0.037 -9.876 1.00 0.00 O ATOM 318 CB ALA A 40 -11.067 -2.539 -11.997 1.00 0.00 C ATOM 0 H ALA A 40 -10.895 0.199 -12.373 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.754 -1.626 -10.978 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.005 -3.389 -11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.653 -2.817 -12.873 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.063 -2.250 -12.309 1.00 0.00 H new ATOM 324 N ARG A 41 -11.134 -1.864 -8.954 1.00 0.00 N ATOM 325 CA ARG A 41 -10.560 -1.717 -7.600 1.00 0.00 C ATOM 326 C ARG A 41 -9.750 -2.959 -7.209 1.00 0.00 C ATOM 327 O ARG A 41 -10.322 -3.997 -6.870 1.00 0.00 O ATOM 328 CB ARG A 41 -11.665 -1.436 -6.562 1.00 0.00 C ATOM 329 CG ARG A 41 -12.482 -0.169 -6.830 1.00 0.00 C ATOM 330 CD ARG A 41 -13.433 0.072 -5.651 1.00 0.00 C ATOM 331 NE ARG A 41 -14.419 1.113 -5.977 1.00 0.00 N ATOM 332 CZ ARG A 41 -15.278 1.694 -5.157 1.00 0.00 C ATOM 333 NH1 ARG A 41 -15.316 1.415 -3.884 1.00 0.00 N ATOM 334 NH2 ARG A 41 -16.126 2.574 -5.604 1.00 0.00 N ATOM 0 H ARG A 41 -11.659 -2.733 -9.057 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.883 -0.863 -7.614 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.342 -2.290 -6.531 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.207 -1.356 -5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.819 0.686 -6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.049 -0.275 -7.755 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.947 -0.855 -5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.861 0.370 -4.772 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.443 1.423 -6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.670 0.730 -3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.992 1.882 -3.279 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.131 2.820 -6.594 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.785 3.018 -4.965 1.00 0.00 H new ATOM 348 N PHE A 42 -8.426 -2.860 -7.280 1.00 0.00 N ATOM 349 CA PHE A 42 -7.483 -3.875 -6.796 1.00 0.00 C ATOM 350 C PHE A 42 -7.194 -3.698 -5.292 1.00 0.00 C ATOM 351 O PHE A 42 -7.640 -2.727 -4.673 1.00 0.00 O ATOM 352 CB PHE A 42 -6.191 -3.796 -7.633 1.00 0.00 C ATOM 353 CG PHE A 42 -6.404 -3.713 -9.140 1.00 0.00 C ATOM 354 CD1 PHE A 42 -7.272 -4.613 -9.791 1.00 0.00 C ATOM 355 CD2 PHE A 42 -5.752 -2.715 -9.890 1.00 0.00 C ATOM 356 CE1 PHE A 42 -7.507 -4.498 -11.173 1.00 0.00 C ATOM 357 CE2 PHE A 42 -5.983 -2.603 -11.272 1.00 0.00 C ATOM 358 CZ PHE A 42 -6.864 -3.491 -11.913 1.00 0.00 C ATOM 0 H PHE A 42 -7.961 -2.049 -7.687 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.925 -4.864 -6.915 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.621 -2.923 -7.313 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.581 -4.672 -7.415 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.759 -5.394 -9.226 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.072 -2.033 -9.401 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.181 -5.183 -11.665 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.483 -1.834 -11.842 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.047 -3.400 -12.973 1.00 0.00 H new ATOM 368 N THR A 43 -6.415 -4.616 -4.711 1.00 0.00 N ATOM 369 CA THR A 43 -5.987 -4.596 -3.299 1.00 0.00 C ATOM 370 C THR A 43 -4.470 -4.762 -3.223 1.00 0.00 C ATOM 371 O THR A 43 -3.942 -5.789 -3.653 1.00 0.00 O ATOM 372 CB THR A 43 -6.678 -5.695 -2.472 1.00 0.00 C ATOM 373 OG1 THR A 43 -8.081 -5.647 -2.653 1.00 0.00 O ATOM 374 CG2 THR A 43 -6.420 -5.519 -0.974 1.00 0.00 C ATOM 0 H THR A 43 -6.051 -5.420 -5.222 1.00 0.00 H new ATOM 0 HA THR A 43 -6.279 -3.636 -2.874 1.00 0.00 H new ATOM 0 HB THR A 43 -6.267 -6.644 -2.817 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.504 -6.353 -2.121 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.923 -6.313 -0.422 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.348 -5.566 -0.781 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.804 -4.552 -0.650 1.00 0.00 H new ATOM 382 N ARG A 44 -3.763 -3.751 -2.703 1.00 0.00 N ATOM 383 CA ARG A 44 -2.295 -3.727 -2.537 1.00 0.00 C ATOM 384 C ARG A 44 -1.926 -3.463 -1.075 1.00 0.00 C ATOM 385 O ARG A 44 -2.774 -3.037 -0.295 1.00 0.00 O ATOM 386 CB ARG A 44 -1.660 -2.662 -3.454 1.00 0.00 C ATOM 387 CG ARG A 44 -2.099 -2.689 -4.926 1.00 0.00 C ATOM 388 CD ARG A 44 -1.811 -3.982 -5.701 1.00 0.00 C ATOM 389 NE ARG A 44 -0.407 -4.080 -6.143 1.00 0.00 N ATOM 390 CZ ARG A 44 0.034 -4.626 -7.262 1.00 0.00 C ATOM 391 NH1 ARG A 44 -0.752 -5.226 -8.111 1.00 0.00 N ATOM 392 NH2 ARG A 44 1.298 -4.577 -7.554 1.00 0.00 N ATOM 0 H ARG A 44 -4.208 -2.895 -2.373 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.902 -4.703 -2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.889 -1.677 -3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.577 -2.779 -3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.171 -2.499 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.609 -1.864 -5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.050 -4.839 -5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.466 -4.033 -6.571 1.00 0.00 H new ATOM 0 HE ARG A 44 0.297 -3.685 -5.519 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.753 -5.288 -7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.366 -5.633 -8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.951 -4.117 -6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.639 -4.999 -8.418 1.00 0.00 H new ATOM 406 N TYR A 45 -0.664 -3.671 -0.714 1.00 0.00 N ATOM 407 CA TYR A 45 -0.143 -3.561 0.653 1.00 0.00 C ATOM 408 C TYR A 45 1.197 -2.815 0.645 1.00 0.00 C ATOM 409 O TYR A 45 2.215 -3.355 0.217 1.00 0.00 O ATOM 410 CB TYR A 45 -0.027 -4.966 1.269 1.00 0.00 C ATOM 411 CG TYR A 45 -1.353 -5.698 1.392 1.00 0.00 C ATOM 412 CD1 TYR A 45 -2.184 -5.470 2.508 1.00 0.00 C ATOM 413 CD2 TYR A 45 -1.769 -6.589 0.382 1.00 0.00 C ATOM 414 CE1 TYR A 45 -3.416 -6.145 2.621 1.00 0.00 C ATOM 415 CE2 TYR A 45 -3.001 -7.259 0.489 1.00 0.00 C ATOM 416 CZ TYR A 45 -3.829 -7.042 1.611 1.00 0.00 C ATOM 417 OH TYR A 45 -5.017 -7.697 1.711 1.00 0.00 O ATOM 0 H TYR A 45 0.056 -3.931 -1.388 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.828 -2.982 1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.651 -5.564 0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.423 -4.882 2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.876 -4.777 3.277 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.138 -6.758 -0.478 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.046 -5.976 3.482 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.314 -7.940 -0.288 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.140 -8.272 0.927 1.00 0.00 H new ATOM 427 N TYR A 46 1.205 -1.555 1.079 1.00 0.00 N ATOM 428 CA TYR A 46 2.386 -0.683 1.036 1.00 0.00 C ATOM 429 C TYR A 46 3.023 -0.545 2.427 1.00 0.00 C ATOM 430 O TYR A 46 2.326 -0.274 3.408 1.00 0.00 O ATOM 431 CB TYR A 46 1.981 0.698 0.495 1.00 0.00 C ATOM 432 CG TYR A 46 1.719 0.760 -1.002 1.00 0.00 C ATOM 433 CD1 TYR A 46 0.474 0.365 -1.532 1.00 0.00 C ATOM 434 CD2 TYR A 46 2.714 1.263 -1.864 1.00 0.00 C ATOM 435 CE1 TYR A 46 0.212 0.507 -2.910 1.00 0.00 C ATOM 436 CE2 TYR A 46 2.459 1.396 -3.242 1.00 0.00 C ATOM 437 CZ TYR A 46 1.199 1.030 -3.767 1.00 0.00 C ATOM 438 OH TYR A 46 0.928 1.205 -5.090 1.00 0.00 O ATOM 0 H TYR A 46 0.382 -1.102 1.476 1.00 0.00 H new ATOM 0 HA TYR A 46 3.127 -1.131 0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.082 1.025 1.018 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.769 1.411 0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.282 -0.048 -0.880 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.677 1.548 -1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.748 0.214 -3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.227 1.778 -3.898 1.00 0.00 H new ATOM 0 HH TYR A 46 1.716 1.576 -5.539 1.00 0.00 H new ATOM 448 N CYS A 47 4.348 -0.710 2.526 1.00 0.00 N ATOM 449 CA CYS A 47 5.083 -0.541 3.784 1.00 0.00 C ATOM 450 C CYS A 47 5.220 0.946 4.169 1.00 0.00 C ATOM 451 O CYS A 47 6.159 1.632 3.754 1.00 0.00 O ATOM 452 CB CYS A 47 6.452 -1.233 3.724 1.00 0.00 C ATOM 453 SG CYS A 47 7.152 -1.426 5.386 1.00 0.00 S ATOM 0 H CYS A 47 4.940 -0.965 1.735 1.00 0.00 H new ATOM 0 HA CYS A 47 4.501 -1.024 4.569 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.350 -2.210 3.252 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.132 -0.649 3.104 1.00 0.00 H new ATOM 458 N MET A 48 4.278 1.465 4.959 1.00 0.00 N ATOM 459 CA MET A 48 4.299 2.832 5.491 1.00 0.00 C ATOM 460 C MET A 48 5.096 2.871 6.804 1.00 0.00 C ATOM 461 O MET A 48 4.552 2.750 7.904 1.00 0.00 O ATOM 462 CB MET A 48 2.874 3.387 5.626 1.00 0.00 C ATOM 463 CG MET A 48 2.157 3.377 4.268 1.00 0.00 C ATOM 464 SD MET A 48 0.738 4.496 4.164 1.00 0.00 S ATOM 465 CE MET A 48 1.540 5.974 3.491 1.00 0.00 C ATOM 0 H MET A 48 3.459 0.934 5.255 1.00 0.00 H new ATOM 0 HA MET A 48 4.811 3.491 4.790 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.312 2.790 6.344 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.910 4.404 6.016 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.873 3.644 3.491 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.820 2.362 4.056 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.401 6.808 4.178 1.00 0.00 H new ATOM 0 HE2 MET A 48 2.606 5.783 3.363 1.00 0.00 H new ATOM 0 HE3 MET A 48 1.097 6.221 2.526 1.00 0.00 H new ATOM 475 N GLY A 49 6.420 2.981 6.676 1.00 0.00 N ATOM 476 CA GLY A 49 7.382 3.038 7.780 1.00 0.00 C ATOM 477 C GLY A 49 7.676 1.663 8.383 1.00 0.00 C ATOM 478 O GLY A 49 8.754 1.107 8.167 1.00 0.00 O ATOM 0 H GLY A 49 6.870 3.035 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.312 3.479 7.422 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.996 3.696 8.559 1.00 0.00 H new ATOM 482 N ASN A 50 6.720 1.118 9.141 1.00 0.00 N ATOM 483 CA ASN A 50 6.856 -0.138 9.894 1.00 0.00 C ATOM 484 C ASN A 50 5.630 -1.077 9.782 1.00 0.00 C ATOM 485 O ASN A 50 5.638 -2.160 10.369 1.00 0.00 O ATOM 486 CB ASN A 50 7.199 0.235 11.351 1.00 0.00 C ATOM 487 CG ASN A 50 7.619 -0.959 12.199 1.00 0.00 C ATOM 488 OD1 ASN A 50 8.555 -1.681 11.883 1.00 0.00 O ATOM 489 ND2 ASN A 50 6.974 -1.190 13.321 1.00 0.00 N ATOM 0 H ASN A 50 5.802 1.549 9.253 1.00 0.00 H new ATOM 0 HA ASN A 50 7.659 -0.732 9.457 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.003 0.971 11.350 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.332 0.710 11.810 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.255 -1.966 13.920 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.193 -0.593 13.592 1.00 0.00 H new ATOM 496 N CYS A 51 4.588 -0.701 9.030 1.00 0.00 N ATOM 497 CA CYS A 51 3.391 -1.523 8.816 1.00 0.00 C ATOM 498 C CYS A 51 2.924 -1.534 7.351 1.00 0.00 C ATOM 499 O CYS A 51 3.116 -0.573 6.605 1.00 0.00 O ATOM 500 CB CYS A 51 2.273 -1.043 9.751 1.00 0.00 C ATOM 501 SG CYS A 51 1.668 0.640 9.442 1.00 0.00 S ATOM 0 H CYS A 51 4.553 0.196 8.546 1.00 0.00 H new ATOM 0 HA CYS A 51 3.649 -2.555 9.052 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.433 -1.733 9.670 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.633 -1.098 10.778 1.00 0.00 H new ATOM 506 N CYS A 52 2.271 -2.626 6.950 1.00 0.00 N ATOM 507 CA CYS A 52 1.731 -2.848 5.609 1.00 0.00 C ATOM 508 C CYS A 52 0.292 -2.318 5.488 1.00 0.00 C ATOM 509 O CYS A 52 -0.674 -3.081 5.595 1.00 0.00 O ATOM 510 CB CYS A 52 1.830 -4.347 5.304 1.00 0.00 C ATOM 511 SG CYS A 52 3.534 -4.913 5.104 1.00 0.00 S ATOM 0 H CYS A 52 2.097 -3.412 7.577 1.00 0.00 H new ATOM 0 HA CYS A 52 2.310 -2.292 4.871 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.358 -4.909 6.110 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.271 -4.565 4.394 1.00 0.00 H new ATOM 516 N LYS A 53 0.136 -1.005 5.274 1.00 0.00 N ATOM 517 CA LYS A 53 -1.174 -0.375 5.045 1.00 0.00 C ATOM 518 C LYS A 53 -1.785 -0.888 3.735 1.00 0.00 C ATOM 519 O LYS A 53 -1.160 -0.800 2.675 1.00 0.00 O ATOM 520 CB LYS A 53 -1.053 1.159 5.043 1.00 0.00 C ATOM 521 CG LYS A 53 -2.448 1.810 5.089 1.00 0.00 C ATOM 522 CD LYS A 53 -2.389 3.334 4.940 1.00 0.00 C ATOM 523 CE LYS A 53 -3.800 3.932 4.953 1.00 0.00 C ATOM 524 NZ LYS A 53 -3.770 5.395 4.693 1.00 0.00 N ATOM 0 H LYS A 53 0.915 -0.347 5.254 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.841 -0.649 5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.465 1.484 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.522 1.487 4.150 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.066 1.394 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.932 1.559 6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.799 3.762 5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.886 3.595 4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.413 3.439 4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.269 3.742 5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.740 5.770 4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.205 5.867 5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.344 5.573 3.761 1.00 0.00 H new ATOM 538 N VAL A 54 -2.999 -1.435 3.806 1.00 0.00 N ATOM 539 CA VAL A 54 -3.768 -1.838 2.620 1.00 0.00 C ATOM 540 C VAL A 54 -4.246 -0.614 1.820 1.00 0.00 C ATOM 541 O VAL A 54 -4.638 0.406 2.391 1.00 0.00 O ATOM 542 CB VAL A 54 -4.924 -2.781 3.010 1.00 0.00 C ATOM 543 CG1 VAL A 54 -6.054 -2.096 3.784 1.00 0.00 C ATOM 544 CG2 VAL A 54 -5.527 -3.482 1.791 1.00 0.00 C ATOM 0 H VAL A 54 -3.481 -1.613 4.687 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.109 -2.400 1.958 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.459 -3.512 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.828 -2.826 4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.658 -1.674 4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.481 -1.299 3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.338 -4.136 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.915 -2.736 1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.758 -4.074 1.294 1.00 0.00 H new ATOM 554 N TYR A 55 -4.235 -0.728 0.493 1.00 0.00 N ATOM 555 CA TYR A 55 -4.740 0.254 -0.469 1.00 0.00 C ATOM 556 C TYR A 55 -5.747 -0.416 -1.412 1.00 0.00 C ATOM 557 O TYR A 55 -5.450 -1.443 -2.023 1.00 0.00 O ATOM 558 CB TYR A 55 -3.576 0.904 -1.233 1.00 0.00 C ATOM 559 CG TYR A 55 -2.954 2.080 -0.499 1.00 0.00 C ATOM 560 CD1 TYR A 55 -1.983 1.872 0.500 1.00 0.00 C ATOM 561 CD2 TYR A 55 -3.381 3.390 -0.796 1.00 0.00 C ATOM 562 CE1 TYR A 55 -1.430 2.966 1.193 1.00 0.00 C ATOM 563 CE2 TYR A 55 -2.842 4.487 -0.098 1.00 0.00 C ATOM 564 CZ TYR A 55 -1.868 4.277 0.901 1.00 0.00 C ATOM 565 OH TYR A 55 -1.371 5.342 1.587 1.00 0.00 O ATOM 0 H TYR A 55 -3.852 -1.554 0.033 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.260 1.052 0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.808 0.153 -1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.933 1.240 -2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.661 0.868 0.736 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.125 3.553 -1.562 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.673 2.803 1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.174 5.489 -0.327 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.795 5.024 2.313 1.00 0.00 H new ATOM 575 N GLU A 56 -6.948 0.157 -1.500 1.00 0.00 N ATOM 576 CA GLU A 56 -8.111 -0.386 -2.216 1.00 0.00 C ATOM 577 C GLU A 56 -8.533 0.568 -3.346 1.00 0.00 C ATOM 578 O GLU A 56 -9.064 1.654 -3.098 1.00 0.00 O ATOM 579 CB GLU A 56 -9.270 -0.644 -1.237 1.00 0.00 C ATOM 580 CG GLU A 56 -8.950 -1.732 -0.203 1.00 0.00 C ATOM 581 CD GLU A 56 -10.162 -1.980 0.716 1.00 0.00 C ATOM 582 OE1 GLU A 56 -10.282 -1.301 1.766 1.00 0.00 O ATOM 583 OE2 GLU A 56 -11.006 -2.851 0.397 1.00 0.00 O ATOM 0 H GLU A 56 -7.149 1.053 -1.055 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.837 -1.340 -2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.513 0.283 -0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.156 -0.935 -1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.678 -2.656 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.089 -1.432 0.394 1.00 0.00 H new ATOM 590 N GLY A 57 -8.245 0.189 -4.594 1.00 0.00 N ATOM 591 CA GLY A 57 -8.389 1.038 -5.781 1.00 0.00 C ATOM 592 C GLY A 57 -7.439 0.620 -6.906 1.00 0.00 C ATOM 593 O GLY A 57 -6.820 -0.443 -6.845 1.00 0.00 O ATOM 0 H GLY A 57 -7.895 -0.744 -4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.418 0.989 -6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.195 2.076 -5.510 1.00 0.00 H new ATOM 597 N CYS A 58 -7.319 1.436 -7.953 1.00 0.00 N ATOM 598 CA CYS A 58 -6.348 1.196 -9.022 1.00 0.00 C ATOM 599 C CYS A 58 -4.926 1.594 -8.582 1.00 0.00 C ATOM 600 O CYS A 58 -4.501 2.736 -8.778 1.00 0.00 O ATOM 601 CB CYS A 58 -6.786 1.908 -10.304 1.00 0.00 C ATOM 602 SG CYS A 58 -5.944 1.266 -11.779 1.00 0.00 S ATOM 0 H CYS A 58 -7.885 2.274 -8.084 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.316 0.128 -9.236 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -7.863 1.797 -10.427 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -6.584 2.975 -10.210 1.00 0.00 H new ATOM 607 N TYR A 59 -4.203 0.654 -7.973 1.00 0.00 N ATOM 608 CA TYR A 59 -2.823 0.801 -7.496 1.00 0.00 C ATOM 609 C TYR A 59 -1.955 -0.359 -8.008 1.00 0.00 C ATOM 610 O TYR A 59 -2.368 -1.520 -7.955 1.00 0.00 O ATOM 611 CB TYR A 59 -2.812 0.857 -5.960 1.00 0.00 C ATOM 612 CG TYR A 59 -3.493 2.074 -5.357 1.00 0.00 C ATOM 613 CD1 TYR A 59 -2.776 3.276 -5.200 1.00 0.00 C ATOM 614 CD2 TYR A 59 -4.835 1.997 -4.938 1.00 0.00 C ATOM 615 CE1 TYR A 59 -3.396 4.400 -4.619 1.00 0.00 C ATOM 616 CE2 TYR A 59 -5.464 3.122 -4.370 1.00 0.00 C ATOM 617 CZ TYR A 59 -4.744 4.325 -4.204 1.00 0.00 C ATOM 618 OH TYR A 59 -5.356 5.400 -3.635 1.00 0.00 O ATOM 0 H TYR A 59 -4.579 -0.276 -7.789 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.405 1.730 -7.883 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.297 -0.040 -5.575 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.777 0.831 -5.618 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.748 3.336 -5.526 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.383 1.074 -5.052 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.841 5.318 -4.491 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.497 3.064 -4.061 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.821 6.205 -3.797 1.00 0.00 H new ATOM 628 N THR A 60 -0.755 -0.051 -8.510 1.00 0.00 N ATOM 629 CA THR A 60 0.180 -1.019 -9.133 1.00 0.00 C ATOM 630 C THR A 60 1.656 -0.817 -8.751 1.00 0.00 C ATOM 631 O THR A 60 2.493 -1.660 -9.081 1.00 0.00 O ATOM 632 CB THR A 60 0.054 -0.990 -10.670 1.00 0.00 C ATOM 633 OG1 THR A 60 0.245 0.321 -11.172 1.00 0.00 O ATOM 634 CG2 THR A 60 -1.317 -1.462 -11.162 1.00 0.00 C ATOM 0 H THR A 60 -0.389 0.901 -8.498 1.00 0.00 H new ATOM 0 HA THR A 60 -0.119 -1.989 -8.737 1.00 0.00 H new ATOM 0 HB THR A 60 0.825 -1.669 -11.034 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.162 0.313 -12.148 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.347 -1.420 -12.251 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.488 -2.487 -10.833 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.093 -0.815 -10.752 1.00 0.00 H new ATOM 642 N GLY A 61 1.999 0.270 -8.050 1.00 0.00 N ATOM 643 CA GLY A 61 3.383 0.687 -7.763 1.00 0.00 C ATOM 644 C GLY A 61 4.041 0.038 -6.534 1.00 0.00 C ATOM 645 O GLY A 61 5.214 0.301 -6.262 1.00 0.00 O ATOM 0 H GLY A 61 1.305 0.904 -7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.996 0.468 -8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.395 1.769 -7.628 1.00 0.00 H new ATOM 649 N GLY A 62 3.308 -0.795 -5.790 1.00 0.00 N ATOM 650 CA GLY A 62 3.771 -1.515 -4.597 1.00 0.00 C ATOM 651 C GLY A 62 3.153 -2.906 -4.462 1.00 0.00 C ATOM 652 O GLY A 62 2.349 -3.331 -5.295 1.00 0.00 O ATOM 0 H GLY A 62 2.333 -0.996 -6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.856 -1.608 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.531 -0.929 -3.710 1.00 0.00 H new ATOM 656 N TYR A 63 3.562 -3.631 -3.421 1.00 0.00 N ATOM 657 CA TYR A 63 3.344 -5.071 -3.240 1.00 0.00 C ATOM 658 C TYR A 63 1.868 -5.496 -3.320 1.00 0.00 C ATOM 659 O TYR A 63 0.988 -4.889 -2.710 1.00 0.00 O ATOM 660 CB TYR A 63 3.962 -5.499 -1.902 1.00 0.00 C ATOM 661 CG TYR A 63 5.402 -5.050 -1.725 1.00 0.00 C ATOM 662 CD1 TYR A 63 6.426 -5.674 -2.462 1.00 0.00 C ATOM 663 CD2 TYR A 63 5.702 -3.966 -0.876 1.00 0.00 C ATOM 664 CE1 TYR A 63 7.752 -5.208 -2.360 1.00 0.00 C ATOM 665 CE2 TYR A 63 7.028 -3.504 -0.765 1.00 0.00 C ATOM 666 CZ TYR A 63 8.055 -4.119 -1.514 1.00 0.00 C ATOM 667 OH TYR A 63 9.328 -3.641 -1.433 1.00 0.00 O ATOM 0 H TYR A 63 4.077 -3.215 -2.645 1.00 0.00 H new ATOM 0 HA TYR A 63 3.832 -5.580 -4.072 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.361 -5.094 -1.088 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.917 -6.585 -1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.195 -6.510 -3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.915 -3.489 -0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.537 -5.684 -2.929 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.259 -2.679 -0.107 1.00 0.00 H new ATOM 0 HH TYR A 63 9.356 -2.890 -0.805 1.00 0.00 H new ATOM 677 N SER A 64 1.595 -6.569 -4.067 1.00 0.00 N ATOM 678 CA SER A 64 0.240 -7.118 -4.249 1.00 0.00 C ATOM 679 C SER A 64 -0.231 -8.011 -3.088 1.00 0.00 C ATOM 680 O SER A 64 -1.415 -8.349 -3.019 1.00 0.00 O ATOM 681 CB SER A 64 0.166 -7.887 -5.576 1.00 0.00 C ATOM 682 OG SER A 64 -1.172 -7.982 -6.036 1.00 0.00 O ATOM 0 H SER A 64 2.313 -7.090 -4.570 1.00 0.00 H new ATOM 0 HA SER A 64 -0.440 -6.266 -4.266 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.777 -7.384 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.581 -8.886 -5.445 1.00 0.00 H new ATOM 0 HG SER A 64 -1.760 -8.214 -5.287 1.00 0.00 H new ATOM 688 N ARG A 65 0.663 -8.391 -2.158 1.00 0.00 N ATOM 689 CA ARG A 65 0.388 -9.278 -1.022 1.00 0.00 C ATOM 690 C ARG A 65 0.943 -8.710 0.284 1.00 0.00 C ATOM 691 O ARG A 65 2.033 -8.135 0.303 1.00 0.00 O ATOM 692 CB ARG A 65 1.016 -10.647 -1.344 1.00 0.00 C ATOM 693 CG ARG A 65 0.380 -11.769 -0.527 1.00 0.00 C ATOM 694 CD ARG A 65 1.065 -13.113 -0.810 1.00 0.00 C ATOM 695 NE ARG A 65 0.440 -14.212 -0.048 1.00 0.00 N ATOM 696 CZ ARG A 65 0.933 -15.419 0.169 1.00 0.00 C ATOM 697 NH1 ARG A 65 2.102 -15.785 -0.279 1.00 0.00 N ATOM 698 NH2 ARG A 65 0.252 -16.298 0.848 1.00 0.00 N ATOM 0 H ARG A 65 1.632 -8.075 -2.181 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.688 -9.376 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.899 -10.860 -2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.087 -10.612 -1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.453 -11.536 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.681 -11.841 -0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.011 -13.332 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.122 -13.045 -0.552 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.476 -14.018 0.357 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.670 -15.131 -0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.449 -16.726 -0.091 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.668 -16.057 1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.639 -17.227 1.011 1.00 0.00 H new ATOM 712 N MET A 66 0.247 -8.980 1.386 1.00 0.00 N ATOM 713 CA MET A 66 0.712 -8.736 2.758 1.00 0.00 C ATOM 714 C MET A 66 2.090 -9.373 3.018 1.00 0.00 C ATOM 715 O MET A 66 2.947 -8.751 3.641 1.00 0.00 O ATOM 716 CB MET A 66 -0.359 -9.268 3.729 1.00 0.00 C ATOM 717 CG MET A 66 -0.041 -9.017 5.210 1.00 0.00 C ATOM 718 SD MET A 66 -0.005 -7.276 5.714 1.00 0.00 S ATOM 719 CE MET A 66 -1.780 -6.911 5.792 1.00 0.00 C ATOM 0 H MET A 66 -0.687 -9.388 1.352 1.00 0.00 H new ATOM 0 HA MET A 66 0.847 -7.666 2.914 1.00 0.00 H new ATOM 0 HB2 MET A 66 -1.315 -8.802 3.490 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.478 -10.340 3.570 1.00 0.00 H new ATOM 0 HG2 MET A 66 -0.782 -9.538 5.816 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.927 -9.463 5.437 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.967 -5.922 5.373 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.330 -7.658 5.219 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.111 -6.934 6.830 1.00 0.00 H new ATOM 729 N GLY A 67 2.336 -10.579 2.487 1.00 0.00 N ATOM 730 CA GLY A 67 3.611 -11.296 2.636 1.00 0.00 C ATOM 731 C GLY A 67 4.769 -10.638 1.879 1.00 0.00 C ATOM 732 O GLY A 67 5.851 -10.454 2.437 1.00 0.00 O ATOM 0 H GLY A 67 1.647 -11.090 1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.865 -11.355 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.488 -12.319 2.280 1.00 0.00 H new ATOM 736 N GLU A 68 4.537 -10.236 0.623 1.00 0.00 N ATOM 737 CA GLU A 68 5.509 -9.498 -0.201 1.00 0.00 C ATOM 738 C GLU A 68 5.863 -8.127 0.399 1.00 0.00 C ATOM 739 O GLU A 68 7.016 -7.705 0.335 1.00 0.00 O ATOM 740 CB GLU A 68 4.993 -9.335 -1.639 1.00 0.00 C ATOM 741 CG GLU A 68 5.088 -10.619 -2.476 1.00 0.00 C ATOM 742 CD GLU A 68 6.546 -10.968 -2.851 1.00 0.00 C ATOM 743 OE1 GLU A 68 7.052 -10.446 -3.873 1.00 0.00 O ATOM 744 OE2 GLU A 68 7.206 -11.759 -2.136 1.00 0.00 O ATOM 0 H GLU A 68 3.656 -10.416 0.141 1.00 0.00 H new ATOM 0 HA GLU A 68 6.424 -10.091 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.954 -9.008 -1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.561 -8.547 -2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.651 -11.447 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.499 -10.501 -3.386 1.00 0.00 H new ATOM 751 N CYS A 69 4.904 -7.459 1.046 1.00 0.00 N ATOM 752 CA CYS A 69 5.175 -6.278 1.864 1.00 0.00 C ATOM 753 C CYS A 69 6.019 -6.613 3.113 1.00 0.00 C ATOM 754 O CYS A 69 7.075 -6.014 3.332 1.00 0.00 O ATOM 755 CB CYS A 69 3.843 -5.608 2.207 1.00 0.00 C ATOM 756 SG CYS A 69 4.021 -4.165 3.279 1.00 0.00 S ATOM 0 H CYS A 69 3.919 -7.723 1.016 1.00 0.00 H new ATOM 0 HA CYS A 69 5.785 -5.575 1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.348 -5.307 1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.194 -6.335 2.694 1.00 0.00 H new ATOM 761 N ALA A 70 5.588 -7.583 3.928 1.00 0.00 N ATOM 762 CA ALA A 70 6.204 -7.929 5.211 1.00 0.00 C ATOM 763 C ALA A 70 7.697 -8.312 5.117 1.00 0.00 C ATOM 764 O ALA A 70 8.484 -7.897 5.972 1.00 0.00 O ATOM 765 CB ALA A 70 5.383 -9.052 5.858 1.00 0.00 C ATOM 0 H ALA A 70 4.779 -8.164 3.706 1.00 0.00 H new ATOM 0 HA ALA A 70 6.191 -7.033 5.832 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.828 -9.323 6.816 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.360 -8.710 6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.377 -9.922 5.202 1.00 0.00 H new ATOM 771 N ARG A 71 8.114 -9.051 4.076 1.00 0.00 N ATOM 772 CA ARG A 71 9.536 -9.394 3.829 1.00 0.00 C ATOM 773 C ARG A 71 10.444 -8.184 3.553 1.00 0.00 C ATOM 774 O ARG A 71 11.656 -8.283 3.742 1.00 0.00 O ATOM 775 CB ARG A 71 9.664 -10.438 2.702 1.00 0.00 C ATOM 776 CG ARG A 71 9.148 -9.922 1.350 1.00 0.00 C ATOM 777 CD ARG A 71 9.345 -10.902 0.194 1.00 0.00 C ATOM 778 NE ARG A 71 10.746 -10.960 -0.262 1.00 0.00 N ATOM 779 CZ ARG A 71 11.155 -11.180 -1.499 1.00 0.00 C ATOM 780 NH1 ARG A 71 10.324 -11.449 -2.469 1.00 0.00 N ATOM 781 NH2 ARG A 71 12.427 -11.130 -1.784 1.00 0.00 N ATOM 0 H ARG A 71 7.477 -9.432 3.376 1.00 0.00 H new ATOM 0 HA ARG A 71 9.895 -9.823 4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.709 -10.729 2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.109 -11.335 2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.086 -9.693 1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.656 -8.988 1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.026 -11.896 0.506 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.706 -10.609 -0.639 1.00 0.00 H new ATOM 0 HE ARG A 71 11.468 -10.817 0.444 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.322 -11.495 -2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.677 -11.613 -3.412 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.106 -10.921 -1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.743 -11.300 -2.739 1.00 0.00 H new ATOM 795 N ASN A 72 9.879 -7.057 3.109 1.00 0.00 N ATOM 796 CA ASN A 72 10.592 -5.828 2.760 1.00 0.00 C ATOM 797 C ASN A 72 10.462 -4.706 3.808 1.00 0.00 C ATOM 798 O ASN A 72 11.354 -3.858 3.901 1.00 0.00 O ATOM 799 CB ASN A 72 10.112 -5.371 1.372 1.00 0.00 C ATOM 800 CG ASN A 72 10.748 -6.177 0.247 1.00 0.00 C ATOM 801 OD1 ASN A 72 10.098 -6.856 -0.532 1.00 0.00 O ATOM 802 ND2 ASN A 72 12.055 -6.143 0.127 1.00 0.00 N ATOM 0 H ASN A 72 8.871 -6.975 2.978 1.00 0.00 H new ATOM 0 HA ASN A 72 11.659 -6.052 2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.028 -5.465 1.316 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.347 -4.315 1.238 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.514 -6.679 -0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.612 -5.580 0.770 1.00 0.00 H new ATOM 809 N CYS A 73 9.412 -4.714 4.634 1.00 0.00 N ATOM 810 CA CYS A 73 9.344 -3.907 5.859 1.00 0.00 C ATOM 811 C CYS A 73 10.505 -4.211 6.841 1.00 0.00 C ATOM 812 O CYS A 73 11.048 -5.323 6.837 1.00 0.00 O ATOM 813 CB CYS A 73 7.998 -4.143 6.565 1.00 0.00 C ATOM 814 SG CYS A 73 6.533 -3.293 5.913 1.00 0.00 S ATOM 0 H CYS A 73 8.581 -5.282 4.472 1.00 0.00 H new ATOM 0 HA CYS A 73 9.437 -2.863 5.559 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.797 -5.214 6.550 1.00 0.00 H new ATOM 0 HB3 CYS A 73 8.114 -3.855 7.610 1.00 0.00 H new ATOM 819 N PRO A 74 10.868 -3.262 7.731 1.00 0.00 N ATOM 820 CA PRO A 74 11.936 -3.446 8.723 1.00 0.00 C ATOM 821 C PRO A 74 11.536 -4.316 9.935 1.00 0.00 C ATOM 822 O PRO A 74 12.399 -4.677 10.742 1.00 0.00 O ATOM 823 CB PRO A 74 12.311 -2.025 9.157 1.00 0.00 C ATOM 824 CG PRO A 74 10.998 -1.260 9.027 1.00 0.00 C ATOM 825 CD PRO A 74 10.348 -1.898 7.800 1.00 0.00 C ATOM 0 HA PRO A 74 12.768 -3.995 8.282 1.00 0.00 H new ATOM 0 HB2 PRO A 74 12.690 -2.003 10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.088 -1.602 8.520 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.377 -1.370 9.916 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.165 -0.192 8.886 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.262 -1.899 7.890 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.592 -1.341 6.895 1.00 0.00 H new ATOM 833 N GLY A 75 10.249 -4.669 10.066 1.00 0.00 N ATOM 834 CA GLY A 75 9.661 -5.496 11.134 1.00 0.00 C ATOM 835 C GLY A 75 8.510 -6.378 10.643 1.00 0.00 C ATOM 836 O GLY A 75 7.719 -5.911 9.794 1.00 0.00 O ATOM 837 OXT GLY A 75 8.409 -7.529 11.121 1.00 0.00 O ATOM 0 H GLY A 75 9.547 -4.368 9.390 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.437 -6.128 11.565 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.299 -4.847 11.931 1.00 0.00 H new TER 841 GLY A 75