USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 669 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 10 THR OG1 : rot 111:sc= 1.17 USER MOD Set 1.2: B 196 THR OG1 : rot -102:sc= 0.0307 USER MOD Single : A 1 ILE N :NH3+ -160:sc= -0.238 (180deg=-0.731) USER MOD Single : A 6 THR OG1 : rot 179:sc= 1.25 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 149:sc= -0.292 (180deg=-1.36!) USER MOD Single : A 16 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.97) USER MOD Single : A 18 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.25) USER MOD Single : A 21 TYR OH : rot 0:sc= -4.02! USER MOD Single : A 22 THR OG1 : rot -20:sc= 1.23 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 107:sc= -4.43! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.58) USER MOD Single : A 44 THR OG1 : rot -44:sc= 0.99 USER MOD Single : A 47 THR OG1 : rot -40:sc= 0.849 USER MOD Single : A 49 LYS NZ :NH3+ -124:sc= -5.67! (180deg=-11.9!) USER MOD Single : A 50 THR OG1 : rot 10:sc= 0.498 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -36:sc= 1.16 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 63 ASN : amide:sc= -2.27 K(o=-2.3,f=-0.27) USER MOD Single : A 67 THR OG1 : rot -160:sc= -0.0257 USER MOD Single : A 69 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.166) USER MOD Single : B 181 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 186 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 189 TYR OH : rot 180:sc= -1.42! USER MOD Single : B 190 TYR OH : rot -22:sc= 1.23 USER MOD Single : B 191 THR OG1 : rot 65:sc= 1.16 USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 4.743 13.878 6.551 1.00 0.00 N ATOM 2 CA ILE A 1 5.120 12.881 5.515 1.00 0.00 C ATOM 3 C ILE A 1 3.884 12.226 4.912 1.00 0.00 C ATOM 4 O ILE A 1 2.855 12.096 5.576 1.00 0.00 O ATOM 5 CB ILE A 1 6.026 11.778 6.097 1.00 0.00 C ATOM 6 CG1 ILE A 1 7.052 12.378 7.060 1.00 0.00 C ATOM 7 CG2 ILE A 1 6.722 11.019 4.977 1.00 0.00 C ATOM 8 CD1 ILE A 1 7.987 13.369 6.404 1.00 0.00 C ATOM 0 H1 ILE A 1 5.533 14.537 6.702 1.00 0.00 H new ATOM 0 H2 ILE A 1 3.906 14.408 6.235 1.00 0.00 H new ATOM 0 H3 ILE A 1 4.526 13.388 7.442 1.00 0.00 H new ATOM 0 HA ILE A 1 5.664 13.422 4.741 1.00 0.00 H new ATOM 0 HB ILE A 1 5.404 11.077 6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 1 6.526 12.872 7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 1 7.640 11.573 7.500 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.358 10.244 5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 1 5.975 10.560 4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 1 7.332 11.709 4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 1 8.687 13.754 7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 1 8.540 12.874 5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 1 7.409 14.194 5.988 1.00 0.00 H new ATOM 22 N ARG A 2 3.989 11.810 3.654 1.00 0.00 N ATOM 23 CA ARG A 2 2.874 11.164 2.972 1.00 0.00 C ATOM 24 C ARG A 2 3.261 10.746 1.556 1.00 0.00 C ATOM 25 O ARG A 2 2.556 11.052 0.593 1.00 0.00 O ATOM 26 CB ARG A 2 1.663 12.098 2.930 1.00 0.00 C ATOM 27 CG ARG A 2 1.936 13.416 2.225 1.00 0.00 C ATOM 28 CD ARG A 2 2.239 14.526 3.217 1.00 0.00 C ATOM 29 NE ARG A 2 2.117 15.849 2.611 1.00 0.00 N ATOM 30 CZ ARG A 2 3.025 16.375 1.791 1.00 0.00 C ATOM 31 NH1 ARG A 2 4.117 15.691 1.476 1.00 0.00 N ATOM 32 NH2 ARG A 2 2.838 17.586 1.285 1.00 0.00 N ATOM 0 H ARG A 2 4.832 11.908 3.088 1.00 0.00 H new ATOM 0 HA ARG A 2 2.613 10.267 3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.840 11.590 2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.336 12.302 3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.777 13.297 1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.072 13.692 1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.557 14.451 4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.249 14.398 3.608 1.00 0.00 H new ATOM 0 HE ARG A 2 1.288 16.402 2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.264 14.758 1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.810 16.098 0.848 1.00 0.00 H new ATOM 0 HH21 ARG A 2 1.999 18.115 1.524 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.533 17.989 0.657 1.00 0.00 H new ATOM 46 N CYS A 3 4.382 10.042 1.434 1.00 0.00 N ATOM 47 CA CYS A 3 4.852 9.582 0.133 1.00 0.00 C ATOM 48 C CYS A 3 4.184 8.263 -0.249 1.00 0.00 C ATOM 49 O CYS A 3 3.825 7.466 0.618 1.00 0.00 O ATOM 50 CB CYS A 3 6.380 9.428 0.137 1.00 0.00 C ATOM 51 SG CYS A 3 6.992 7.885 0.899 1.00 0.00 S ATOM 0 H CYS A 3 4.980 9.779 2.218 1.00 0.00 H new ATOM 0 HA CYS A 3 4.581 10.331 -0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.739 9.476 -0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.815 10.276 0.666 1.00 0.00 H new ATOM 56 N PHE A 4 4.021 8.040 -1.549 1.00 0.00 N ATOM 57 CA PHE A 4 3.396 6.818 -2.040 1.00 0.00 C ATOM 58 C PHE A 4 1.968 6.695 -1.517 1.00 0.00 C ATOM 59 O PHE A 4 1.427 7.638 -0.940 1.00 0.00 O ATOM 60 CB PHE A 4 4.221 5.600 -1.619 1.00 0.00 C ATOM 61 CG PHE A 4 5.238 5.178 -2.642 1.00 0.00 C ATOM 62 CD1 PHE A 4 6.508 5.729 -2.640 1.00 0.00 C ATOM 63 CD2 PHE A 4 4.926 4.227 -3.600 1.00 0.00 C ATOM 64 CE1 PHE A 4 7.449 5.342 -3.575 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.863 3.835 -4.538 1.00 0.00 C ATOM 66 CZ PHE A 4 7.126 4.393 -4.525 1.00 0.00 C ATOM 0 H PHE A 4 4.313 8.689 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 4 3.360 6.862 -3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.732 5.824 -0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.547 4.766 -1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.767 6.470 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.940 3.787 -3.614 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.436 5.781 -3.563 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.607 3.093 -5.280 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.860 4.088 -5.256 1.00 0.00 H new ATOM 76 N ILE A 5 1.358 5.532 -1.727 1.00 0.00 N ATOM 77 CA ILE A 5 -0.014 5.302 -1.276 1.00 0.00 C ATOM 78 C ILE A 5 -0.067 4.975 0.223 1.00 0.00 C ATOM 79 O ILE A 5 -0.055 5.881 1.056 1.00 0.00 O ATOM 80 CB ILE A 5 -0.727 4.189 -2.086 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.262 3.099 -2.531 1.00 0.00 C ATOM 82 CG2 ILE A 5 -1.452 4.792 -3.282 1.00 0.00 C ATOM 83 CD1 ILE A 5 0.900 3.348 -3.884 1.00 0.00 C ATOM 0 H ILE A 5 1.787 4.738 -2.203 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.549 6.235 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.463 3.714 -1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.049 3.012 -1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.259 2.142 -2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.949 4.001 -3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.194 5.510 -2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.733 5.297 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.583 2.532 -4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.124 3.404 -4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.452 4.287 -3.858 1.00 0.00 H new ATOM 95 N THR A 6 -0.132 3.686 0.568 1.00 0.00 N ATOM 96 CA THR A 6 -0.194 3.269 1.970 1.00 0.00 C ATOM 97 C THR A 6 -0.336 1.750 2.075 1.00 0.00 C ATOM 98 O THR A 6 -1.117 1.146 1.341 1.00 0.00 O ATOM 99 CB THR A 6 -1.369 3.952 2.679 1.00 0.00 C ATOM 100 OG1 THR A 6 -1.686 3.285 3.888 1.00 0.00 O ATOM 101 CG2 THR A 6 -2.630 4.001 1.842 1.00 0.00 C ATOM 0 H THR A 6 -0.143 2.917 -0.102 1.00 0.00 H new ATOM 0 HA THR A 6 0.735 3.568 2.455 1.00 0.00 H new ATOM 0 HB THR A 6 -1.034 4.972 2.866 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.428 3.747 4.332 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.421 4.497 2.404 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.436 4.555 0.923 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.942 2.986 1.595 1.00 0.00 H new ATOM 109 N PRO A 7 0.425 1.103 2.981 1.00 0.00 N ATOM 110 CA PRO A 7 0.375 -0.336 3.149 1.00 0.00 C ATOM 111 C PRO A 7 -0.739 -0.794 4.087 1.00 0.00 C ATOM 112 O PRO A 7 -0.958 -0.201 5.143 1.00 0.00 O ATOM 113 CB PRO A 7 1.741 -0.662 3.741 1.00 0.00 C ATOM 114 CG PRO A 7 2.100 0.544 4.536 1.00 0.00 C ATOM 115 CD PRO A 7 1.399 1.715 3.892 1.00 0.00 C ATOM 0 HA PRO A 7 0.162 -0.844 2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.700 -1.553 4.368 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.476 -0.856 2.960 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.788 0.430 5.574 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.179 0.696 4.543 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.907 2.342 4.636 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.101 2.351 3.353 1.00 0.00 H new ATOM 123 N ASP A 8 -1.433 -1.861 3.694 1.00 0.00 N ATOM 124 CA ASP A 8 -2.523 -2.417 4.495 1.00 0.00 C ATOM 125 C ASP A 8 -3.546 -1.345 4.860 1.00 0.00 C ATOM 126 O ASP A 8 -3.300 -0.513 5.733 1.00 0.00 O ATOM 127 CB ASP A 8 -1.967 -3.066 5.765 1.00 0.00 C ATOM 128 CG ASP A 8 -2.214 -4.561 5.805 1.00 0.00 C ATOM 129 OD1 ASP A 8 -3.393 -4.970 5.753 1.00 0.00 O ATOM 130 OD2 ASP A 8 -1.228 -5.324 5.887 1.00 0.00 O ATOM 0 H ASP A 8 -1.259 -2.360 2.822 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.027 -3.175 3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.896 -2.876 5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.425 -2.601 6.638 1.00 0.00 H new ATOM 135 N ILE A 9 -4.700 -1.382 4.198 1.00 0.00 N ATOM 136 CA ILE A 9 -5.764 -0.419 4.460 1.00 0.00 C ATOM 137 C ILE A 9 -5.263 1.015 4.263 1.00 0.00 C ATOM 138 O ILE A 9 -4.091 1.313 4.488 1.00 0.00 O ATOM 139 CB ILE A 9 -6.309 -0.617 5.898 1.00 0.00 C ATOM 140 CG1 ILE A 9 -7.708 -1.238 5.848 1.00 0.00 C ATOM 141 CG2 ILE A 9 -6.316 0.686 6.693 1.00 0.00 C ATOM 142 CD1 ILE A 9 -7.756 -2.663 6.352 1.00 0.00 C ATOM 0 H ILE A 9 -4.921 -2.069 3.477 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.573 -0.589 3.749 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.637 -1.300 6.419 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.389 -0.628 6.442 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.071 -1.212 4.821 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.705 0.500 7.694 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.300 1.073 6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.948 1.417 6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.778 -3.038 6.287 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.101 -3.287 5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.424 -2.693 7.390 1.00 0.00 H new ATOM 154 N THR A 10 -6.160 1.902 3.840 1.00 0.00 N ATOM 155 CA THR A 10 -5.803 3.299 3.618 1.00 0.00 C ATOM 156 C THR A 10 -5.102 3.887 4.840 1.00 0.00 C ATOM 157 O THR A 10 -3.968 4.358 4.750 1.00 0.00 O ATOM 158 CB THR A 10 -7.053 4.113 3.290 1.00 0.00 C ATOM 159 OG1 THR A 10 -8.107 3.796 4.181 1.00 0.00 O ATOM 160 CG2 THR A 10 -7.557 3.889 1.882 1.00 0.00 C ATOM 0 H THR A 10 -7.136 1.679 3.645 1.00 0.00 H new ATOM 0 HA THR A 10 -5.113 3.344 2.775 1.00 0.00 H new ATOM 0 HB THR A 10 -6.754 5.156 3.390 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.277 4.560 4.771 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.446 4.496 1.713 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.783 4.173 1.169 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.805 2.836 1.748 1.00 0.00 H new ATOM 168 N SER A 11 -5.784 3.854 5.981 1.00 0.00 N ATOM 169 CA SER A 11 -5.225 4.382 7.220 1.00 0.00 C ATOM 170 C SER A 11 -4.986 5.885 7.110 1.00 0.00 C ATOM 171 O SER A 11 -5.413 6.522 6.147 1.00 0.00 O ATOM 172 CB SER A 11 -3.914 3.665 7.559 1.00 0.00 C ATOM 173 OG SER A 11 -4.063 2.845 8.705 1.00 0.00 O ATOM 0 H SER A 11 -6.723 3.468 6.073 1.00 0.00 H new ATOM 0 HA SER A 11 -5.944 4.205 8.020 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.599 3.057 6.711 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.128 4.400 7.734 1.00 0.00 H new ATOM 0 HG SER A 11 -3.213 2.397 8.900 1.00 0.00 H new ATOM 179 N LYS A 12 -4.303 6.445 8.103 1.00 0.00 N ATOM 180 CA LYS A 12 -4.009 7.873 8.115 1.00 0.00 C ATOM 181 C LYS A 12 -2.772 8.180 7.278 1.00 0.00 C ATOM 182 O LYS A 12 -2.872 8.730 6.182 1.00 0.00 O ATOM 183 CB LYS A 12 -3.799 8.360 9.550 1.00 0.00 C ATOM 184 CG LYS A 12 -5.090 8.501 10.340 1.00 0.00 C ATOM 185 CD LYS A 12 -5.196 7.447 11.431 1.00 0.00 C ATOM 186 CE LYS A 12 -6.638 7.242 11.867 1.00 0.00 C ATOM 187 NZ LYS A 12 -7.546 7.040 10.705 1.00 0.00 N ATOM 0 H LYS A 12 -3.943 5.933 8.908 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.860 8.397 7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.140 7.664 10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.290 9.324 9.527 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.137 9.494 10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.942 8.414 9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.786 6.504 11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.594 7.747 12.289 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.698 6.378 12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.970 8.107 12.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.332 6.418 10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.923 7.958 10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.018 6.602 9.924 1.00 0.00 H new ATOM 201 N ASP A 13 -1.605 7.821 7.804 1.00 0.00 N ATOM 202 CA ASP A 13 -0.347 8.060 7.107 1.00 0.00 C ATOM 203 C ASP A 13 0.558 6.833 7.180 1.00 0.00 C ATOM 204 O ASP A 13 0.928 6.386 8.266 1.00 0.00 O ATOM 205 CB ASP A 13 0.372 9.274 7.706 1.00 0.00 C ATOM 206 CG ASP A 13 -0.581 10.395 8.077 1.00 0.00 C ATOM 207 OD1 ASP A 13 -1.317 10.242 9.074 1.00 0.00 O ATOM 208 OD2 ASP A 13 -0.591 11.424 7.370 1.00 0.00 O ATOM 0 H ASP A 13 -1.505 7.364 8.710 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.574 8.261 6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.924 8.963 8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.104 9.647 6.990 1.00 0.00 H new ATOM 213 N CYS A 14 0.912 6.293 6.017 1.00 0.00 N ATOM 214 CA CYS A 14 1.775 5.118 5.948 1.00 0.00 C ATOM 215 C CYS A 14 3.229 5.428 6.321 1.00 0.00 C ATOM 216 O CYS A 14 3.959 4.524 6.730 1.00 0.00 O ATOM 217 CB CYS A 14 1.752 4.496 4.542 1.00 0.00 C ATOM 218 SG CYS A 14 2.373 5.585 3.213 1.00 0.00 S ATOM 0 H CYS A 14 0.614 6.651 5.109 1.00 0.00 H new ATOM 0 HA CYS A 14 1.375 4.413 6.677 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.349 3.584 4.554 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.729 4.205 4.305 1.00 0.00 H new ATOM 223 N PRO A 15 3.697 6.689 6.179 1.00 0.00 N ATOM 224 CA PRO A 15 5.084 7.041 6.492 1.00 0.00 C ATOM 225 C PRO A 15 5.412 6.794 7.955 1.00 0.00 C ATOM 226 O PRO A 15 5.746 5.670 8.327 1.00 0.00 O ATOM 227 CB PRO A 15 5.189 8.527 6.105 1.00 0.00 C ATOM 228 CG PRO A 15 4.022 8.770 5.215 1.00 0.00 C ATOM 229 CD PRO A 15 2.944 7.856 5.710 1.00 0.00 C ATOM 0 HA PRO A 15 5.805 6.429 5.950 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.156 9.169 6.986 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.128 8.737 5.593 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.704 9.812 5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.270 8.557 4.175 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.364 8.312 6.512 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.242 7.593 4.919 1.00 0.00 H new ATOM 237 N ASN A 16 5.315 7.821 8.793 1.00 0.00 N ATOM 238 CA ASN A 16 5.604 7.650 10.203 1.00 0.00 C ATOM 239 C ASN A 16 6.947 6.934 10.391 1.00 0.00 C ATOM 240 O ASN A 16 7.183 6.280 11.406 1.00 0.00 O ATOM 241 CB ASN A 16 4.465 6.855 10.838 1.00 0.00 C ATOM 242 CG ASN A 16 4.657 6.639 12.327 1.00 0.00 C ATOM 243 OD1 ASN A 16 4.419 7.538 13.133 1.00 0.00 O ATOM 244 ND2 ASN A 16 5.090 5.440 12.700 1.00 0.00 N ATOM 0 H ASN A 16 5.042 8.765 8.521 1.00 0.00 H new ATOM 0 HA ASN A 16 5.682 8.623 10.689 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.524 7.379 10.670 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.383 5.887 10.343 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.238 5.236 13.688 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.275 4.723 11.998 1.00 0.00 H new ATOM 251 N GLY A 17 7.821 7.068 9.389 1.00 0.00 N ATOM 252 CA GLY A 17 9.129 6.440 9.434 1.00 0.00 C ATOM 253 C GLY A 17 10.207 7.337 8.855 1.00 0.00 C ATOM 254 O GLY A 17 10.650 8.278 9.513 1.00 0.00 O ATOM 0 H GLY A 17 7.640 7.606 8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.378 6.193 10.466 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.101 5.502 8.880 1.00 0.00 H new ATOM 258 N HIS A 18 10.633 7.058 7.619 1.00 0.00 N ATOM 259 CA HIS A 18 11.665 7.876 6.978 1.00 0.00 C ATOM 260 C HIS A 18 12.131 7.300 5.635 1.00 0.00 C ATOM 261 O HIS A 18 13.287 7.487 5.257 1.00 0.00 O ATOM 262 CB HIS A 18 12.869 8.031 7.913 1.00 0.00 C ATOM 263 CG HIS A 18 13.129 9.446 8.326 1.00 0.00 C ATOM 264 ND1 HIS A 18 14.393 9.994 8.371 1.00 0.00 N ATOM 265 CD2 HIS A 18 12.281 10.427 8.718 1.00 0.00 C ATOM 266 CE1 HIS A 18 14.313 11.250 8.773 1.00 0.00 C ATOM 267 NE2 HIS A 18 13.042 11.537 8.989 1.00 0.00 N ATOM 0 H HIS A 18 10.286 6.285 7.051 1.00 0.00 H new ATOM 0 HA HIS A 18 11.216 8.848 6.777 1.00 0.00 H new ATOM 0 HB2 HIS A 18 12.706 7.425 8.804 1.00 0.00 H new ATOM 0 HB3 HIS A 18 13.756 7.637 7.417 1.00 0.00 H new ATOM 0 HD2 HIS A 18 11.207 10.350 8.802 1.00 0.00 H new ATOM 0 HE1 HIS A 18 15.145 11.926 8.903 1.00 0.00 H new ATOM 0 HE2 HIS A 18 12.684 12.438 9.306 1.00 0.00 H new ATOM 276 N VAL A 19 11.245 6.618 4.906 1.00 0.00 N ATOM 277 CA VAL A 19 11.618 6.051 3.604 1.00 0.00 C ATOM 278 C VAL A 19 10.474 5.270 2.960 1.00 0.00 C ATOM 279 O VAL A 19 9.935 4.338 3.558 1.00 0.00 O ATOM 280 CB VAL A 19 12.848 5.111 3.705 1.00 0.00 C ATOM 281 CG1 VAL A 19 14.125 5.854 3.340 1.00 0.00 C ATOM 282 CG2 VAL A 19 12.959 4.499 5.096 1.00 0.00 C ATOM 0 H VAL A 19 10.280 6.446 5.187 1.00 0.00 H new ATOM 0 HA VAL A 19 11.865 6.910 2.981 1.00 0.00 H new ATOM 0 HB VAL A 19 12.708 4.299 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.975 5.176 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.050 6.227 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 19 14.266 6.692 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.830 3.845 5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.066 5.293 5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.061 3.921 5.312 1.00 0.00 H new ATOM 292 N CYS A 20 10.135 5.624 1.717 1.00 0.00 N ATOM 293 CA CYS A 20 9.090 4.915 0.986 1.00 0.00 C ATOM 294 C CYS A 20 9.612 3.526 0.648 1.00 0.00 C ATOM 295 O CYS A 20 10.300 3.331 -0.352 1.00 0.00 O ATOM 296 CB CYS A 20 8.701 5.665 -0.291 1.00 0.00 C ATOM 297 SG CYS A 20 8.695 7.482 -0.131 1.00 0.00 S ATOM 0 H CYS A 20 10.567 6.391 1.202 1.00 0.00 H new ATOM 0 HA CYS A 20 8.194 4.845 1.603 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.392 5.385 -1.086 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.709 5.337 -0.602 1.00 0.00 H new ATOM 302 N TYR A 21 9.326 2.580 1.526 1.00 0.00 N ATOM 303 CA TYR A 21 9.809 1.219 1.386 1.00 0.00 C ATOM 304 C TYR A 21 8.872 0.337 0.581 1.00 0.00 C ATOM 305 O TYR A 21 8.064 -0.389 1.152 1.00 0.00 O ATOM 306 CB TYR A 21 9.986 0.630 2.782 1.00 0.00 C ATOM 307 CG TYR A 21 11.081 -0.390 2.888 1.00 0.00 C ATOM 308 CD1 TYR A 21 12.362 -0.105 2.448 1.00 0.00 C ATOM 309 CD2 TYR A 21 10.830 -1.636 3.437 1.00 0.00 C ATOM 310 CE1 TYR A 21 13.373 -1.041 2.551 1.00 0.00 C ATOM 311 CE2 TYR A 21 11.833 -2.579 3.545 1.00 0.00 C ATOM 312 CZ TYR A 21 13.105 -2.276 3.100 1.00 0.00 C ATOM 313 OH TYR A 21 14.111 -3.212 3.196 1.00 0.00 O ATOM 0 H TYR A 21 8.753 2.735 2.355 1.00 0.00 H new ATOM 0 HA TYR A 21 10.753 1.252 0.842 1.00 0.00 H new ATOM 0 HB2 TYR A 21 10.191 1.440 3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.047 0.171 3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.574 0.863 2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 21 9.836 -1.874 3.786 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.368 -0.806 2.203 1.00 0.00 H new ATOM 0 HE2 TYR A 21 11.624 -3.548 3.975 1.00 0.00 H new ATOM 0 HH TYR A 21 14.941 -2.839 2.831 1.00 0.00 H new ATOM 323 N THR A 22 9.001 0.370 -0.738 1.00 0.00 N ATOM 324 CA THR A 22 8.156 -0.469 -1.586 1.00 0.00 C ATOM 325 C THR A 22 8.451 -1.933 -1.310 1.00 0.00 C ATOM 326 O THR A 22 9.084 -2.620 -2.109 1.00 0.00 O ATOM 327 CB THR A 22 8.371 -0.146 -3.064 1.00 0.00 C ATOM 328 OG1 THR A 22 8.003 1.193 -3.344 1.00 0.00 O ATOM 329 CG2 THR A 22 7.584 -1.043 -3.996 1.00 0.00 C ATOM 0 H THR A 22 9.668 0.956 -1.240 1.00 0.00 H new ATOM 0 HA THR A 22 7.111 -0.265 -1.351 1.00 0.00 H new ATOM 0 HB THR A 22 9.434 -0.309 -3.242 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.405 1.522 -2.640 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.783 -0.759 -5.029 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.882 -2.080 -3.841 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.519 -0.937 -3.790 1.00 0.00 H new ATOM 337 N LYS A 23 7.996 -2.383 -0.150 1.00 0.00 N ATOM 338 CA LYS A 23 8.213 -3.752 0.293 1.00 0.00 C ATOM 339 C LYS A 23 7.083 -4.677 -0.127 1.00 0.00 C ATOM 340 O LYS A 23 6.083 -4.816 0.577 1.00 0.00 O ATOM 341 CB LYS A 23 8.373 -3.789 1.814 1.00 0.00 C ATOM 342 CG LYS A 23 8.732 -5.164 2.355 1.00 0.00 C ATOM 343 CD LYS A 23 9.044 -5.111 3.842 1.00 0.00 C ATOM 344 CE LYS A 23 8.905 -6.480 4.489 1.00 0.00 C ATOM 345 NZ LYS A 23 9.336 -6.466 5.915 1.00 0.00 N ATOM 0 H LYS A 23 7.467 -1.811 0.509 1.00 0.00 H new ATOM 0 HA LYS A 23 9.125 -4.108 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.147 -3.079 2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.444 -3.457 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.906 -5.853 2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.594 -5.556 1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.058 -4.739 3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.372 -4.406 4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.867 -6.808 4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.502 -7.205 3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.226 -7.417 6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.334 -6.178 5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.750 -5.793 6.448 1.00 0.00 H new ATOM 359 N THR A 24 7.267 -5.336 -1.263 1.00 0.00 N ATOM 360 CA THR A 24 6.285 -6.281 -1.759 1.00 0.00 C ATOM 361 C THR A 24 6.648 -7.669 -1.267 1.00 0.00 C ATOM 362 O THR A 24 7.129 -8.514 -2.025 1.00 0.00 O ATOM 363 CB THR A 24 6.223 -6.252 -3.287 1.00 0.00 C ATOM 364 OG1 THR A 24 5.955 -4.941 -3.753 1.00 0.00 O ATOM 365 CG2 THR A 24 5.163 -7.171 -3.857 1.00 0.00 C ATOM 0 H THR A 24 8.090 -5.231 -1.857 1.00 0.00 H new ATOM 0 HA THR A 24 5.299 -6.006 -1.385 1.00 0.00 H new ATOM 0 HB THR A 24 7.200 -6.597 -3.625 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.768 -4.561 -4.146 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.170 -7.104 -4.945 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.371 -8.198 -3.555 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.184 -6.874 -3.482 1.00 0.00 H new ATOM 373 N TRP A 25 6.429 -7.878 0.021 1.00 0.00 N ATOM 374 CA TRP A 25 6.738 -9.149 0.661 1.00 0.00 C ATOM 375 C TRP A 25 5.605 -10.143 0.443 1.00 0.00 C ATOM 376 O TRP A 25 4.453 -9.875 0.785 1.00 0.00 O ATOM 377 CB TRP A 25 7.007 -8.926 2.162 1.00 0.00 C ATOM 378 CG TRP A 25 6.367 -9.934 3.078 1.00 0.00 C ATOM 379 CD1 TRP A 25 5.043 -10.028 3.396 1.00 0.00 C ATOM 380 CD2 TRP A 25 7.029 -10.978 3.805 1.00 0.00 C ATOM 381 NE1 TRP A 25 4.838 -11.069 4.268 1.00 0.00 N ATOM 382 CE2 TRP A 25 6.041 -11.668 4.535 1.00 0.00 C ATOM 383 CE3 TRP A 25 8.357 -11.400 3.907 1.00 0.00 C ATOM 384 CZ2 TRP A 25 6.343 -12.752 5.355 1.00 0.00 C ATOM 385 CZ3 TRP A 25 8.655 -12.477 4.722 1.00 0.00 C ATOM 386 CH2 TRP A 25 7.651 -13.142 5.436 1.00 0.00 C ATOM 0 H TRP A 25 6.035 -7.178 0.650 1.00 0.00 H new ATOM 0 HA TRP A 25 7.637 -9.569 0.211 1.00 0.00 H new ATOM 0 HB2 TRP A 25 8.084 -8.938 2.329 1.00 0.00 H new ATOM 0 HB3 TRP A 25 6.653 -7.932 2.436 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.269 -9.378 3.017 1.00 0.00 H new ATOM 0 HE1 TRP A 25 3.937 -11.350 4.654 1.00 0.00 H new ATOM 0 HE3 TRP A 25 9.138 -10.894 3.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.571 -13.267 5.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.679 -12.810 4.809 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.915 -13.980 6.064 1.00 0.00 H new ATOM 397 N CYS A 26 5.941 -11.288 -0.131 1.00 0.00 N ATOM 398 CA CYS A 26 4.952 -12.321 -0.393 1.00 0.00 C ATOM 399 C CYS A 26 5.184 -13.538 0.495 1.00 0.00 C ATOM 400 O CYS A 26 4.304 -14.388 0.631 1.00 0.00 O ATOM 401 CB CYS A 26 4.982 -12.731 -1.867 1.00 0.00 C ATOM 402 SG CYS A 26 3.924 -11.710 -2.944 1.00 0.00 S ATOM 0 H CYS A 26 6.889 -11.525 -0.424 1.00 0.00 H new ATOM 0 HA CYS A 26 3.969 -11.911 -0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.009 -12.677 -2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.670 -13.772 -1.950 1.00 0.00 H new ATOM 407 N ASP A 27 6.368 -13.615 1.104 1.00 0.00 N ATOM 408 CA ASP A 27 6.702 -14.734 1.982 1.00 0.00 C ATOM 409 C ASP A 27 6.780 -16.039 1.193 1.00 0.00 C ATOM 410 O ASP A 27 7.857 -16.611 1.023 1.00 0.00 O ATOM 411 CB ASP A 27 5.662 -14.861 3.100 1.00 0.00 C ATOM 412 CG ASP A 27 6.209 -15.567 4.325 1.00 0.00 C ATOM 413 OD1 ASP A 27 7.447 -15.697 4.434 1.00 0.00 O ATOM 414 OD2 ASP A 27 5.400 -15.992 5.177 1.00 0.00 O ATOM 0 H ASP A 27 7.107 -12.919 1.005 1.00 0.00 H new ATOM 0 HA ASP A 27 7.679 -14.538 2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.314 -13.867 3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.796 -15.408 2.726 1.00 0.00 H new ATOM 419 N ALA A 28 5.629 -16.499 0.715 1.00 0.00 N ATOM 420 CA ALA A 28 5.552 -17.731 -0.059 1.00 0.00 C ATOM 421 C ALA A 28 4.320 -17.725 -0.959 1.00 0.00 C ATOM 422 O ALA A 28 4.397 -18.080 -2.135 1.00 0.00 O ATOM 423 CB ALA A 28 5.527 -18.936 0.870 1.00 0.00 C ATOM 0 H ALA A 28 4.732 -16.033 0.852 1.00 0.00 H new ATOM 0 HA ALA A 28 6.437 -17.797 -0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.469 -19.850 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.435 -18.950 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.658 -18.872 1.525 1.00 0.00 H new ATOM 429 N PHE A 29 3.185 -17.313 -0.400 1.00 0.00 N ATOM 430 CA PHE A 29 1.937 -17.254 -1.153 1.00 0.00 C ATOM 431 C PHE A 29 1.085 -16.067 -0.707 1.00 0.00 C ATOM 432 O PHE A 29 0.017 -16.240 -0.120 1.00 0.00 O ATOM 433 CB PHE A 29 1.152 -18.557 -0.983 1.00 0.00 C ATOM 434 CG PHE A 29 0.697 -18.809 0.427 1.00 0.00 C ATOM 435 CD1 PHE A 29 1.619 -18.998 1.444 1.00 0.00 C ATOM 436 CD2 PHE A 29 -0.653 -18.859 0.734 1.00 0.00 C ATOM 437 CE1 PHE A 29 1.203 -19.231 2.741 1.00 0.00 C ATOM 438 CE2 PHE A 29 -1.076 -19.092 2.029 1.00 0.00 C ATOM 439 CZ PHE A 29 -0.146 -19.278 3.034 1.00 0.00 C ATOM 0 H PHE A 29 3.105 -17.015 0.572 1.00 0.00 H new ATOM 0 HA PHE A 29 2.183 -17.123 -2.207 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.281 -18.534 -1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.774 -19.391 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.675 -18.963 1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.384 -18.714 -0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.932 -19.376 3.525 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.131 -19.129 2.255 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.473 -19.460 4.047 1.00 0.00 H new ATOM 449 N CYS A 30 1.566 -14.858 -0.991 1.00 0.00 N ATOM 450 CA CYS A 30 0.848 -13.638 -0.617 1.00 0.00 C ATOM 451 C CYS A 30 -0.625 -13.720 -1.009 1.00 0.00 C ATOM 452 O CYS A 30 -1.003 -14.501 -1.883 1.00 0.00 O ATOM 453 CB CYS A 30 1.484 -12.406 -1.273 1.00 0.00 C ATOM 454 SG CYS A 30 2.144 -12.689 -2.950 1.00 0.00 S ATOM 0 H CYS A 30 2.448 -14.696 -1.478 1.00 0.00 H new ATOM 0 HA CYS A 30 0.917 -13.541 0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.739 -11.611 -1.320 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.292 -12.048 -0.635 1.00 0.00 H new ATOM 459 N SER A 31 -1.453 -12.908 -0.357 1.00 0.00 N ATOM 460 CA SER A 31 -2.885 -12.888 -0.638 1.00 0.00 C ATOM 461 C SER A 31 -3.597 -11.843 0.218 1.00 0.00 C ATOM 462 O SER A 31 -4.473 -12.172 1.018 1.00 0.00 O ATOM 463 CB SER A 31 -3.494 -14.270 -0.391 1.00 0.00 C ATOM 464 OG SER A 31 -3.032 -14.820 0.831 1.00 0.00 O ATOM 0 H SER A 31 -1.157 -12.256 0.369 1.00 0.00 H new ATOM 0 HA SER A 31 -3.019 -12.622 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.581 -14.194 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.236 -14.937 -1.214 1.00 0.00 H new ATOM 0 HG SER A 31 -3.437 -15.702 0.967 1.00 0.00 H new ATOM 470 N ILE A 32 -3.218 -10.580 0.042 1.00 0.00 N ATOM 471 CA ILE A 32 -3.824 -9.488 0.797 1.00 0.00 C ATOM 472 C ILE A 32 -5.063 -8.953 0.079 1.00 0.00 C ATOM 473 O ILE A 32 -5.295 -9.267 -1.089 1.00 0.00 O ATOM 474 CB ILE A 32 -2.809 -8.339 1.038 1.00 0.00 C ATOM 475 CG1 ILE A 32 -3.136 -7.584 2.331 1.00 0.00 C ATOM 476 CG2 ILE A 32 -2.771 -7.374 -0.142 1.00 0.00 C ATOM 477 CD1 ILE A 32 -3.253 -8.479 3.547 1.00 0.00 C ATOM 0 H ILE A 32 -2.495 -10.288 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.125 -9.886 1.766 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.822 -8.790 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.361 -6.840 2.512 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.073 -7.043 2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.050 -6.581 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.476 -7.912 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.759 -6.938 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.486 -7.874 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.048 -9.207 3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.310 -9.001 3.707 1.00 0.00 H new ATOM 489 N ARG A 33 -5.855 -8.148 0.787 1.00 0.00 N ATOM 490 CA ARG A 33 -7.076 -7.566 0.226 1.00 0.00 C ATOM 491 C ARG A 33 -6.875 -7.142 -1.227 1.00 0.00 C ATOM 492 O ARG A 33 -7.674 -7.483 -2.099 1.00 0.00 O ATOM 493 CB ARG A 33 -7.516 -6.355 1.053 1.00 0.00 C ATOM 494 CG ARG A 33 -7.636 -6.634 2.543 1.00 0.00 C ATOM 495 CD ARG A 33 -8.656 -7.726 2.828 1.00 0.00 C ATOM 496 NE ARG A 33 -8.183 -8.667 3.842 1.00 0.00 N ATOM 497 CZ ARG A 33 -8.623 -8.697 5.100 1.00 0.00 C ATOM 498 NH1 ARG A 33 -9.541 -7.834 5.519 1.00 0.00 N ATOM 499 NH2 ARG A 33 -8.139 -9.596 5.946 1.00 0.00 N ATOM 0 H ARG A 33 -5.672 -7.883 1.755 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.850 -8.332 0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.802 -5.546 0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.479 -6.004 0.681 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.664 -6.931 2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.925 -5.721 3.063 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.589 -7.272 3.162 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.876 -8.266 1.907 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.471 -9.344 3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.918 -7.138 4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.869 -7.867 6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.432 -10.262 5.634 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.473 -9.622 6.909 1.00 0.00 H new ATOM 513 N GLY A 34 -5.802 -6.400 -1.478 1.00 0.00 N ATOM 514 CA GLY A 34 -5.518 -5.946 -2.827 1.00 0.00 C ATOM 515 C GLY A 34 -4.217 -5.172 -2.924 1.00 0.00 C ATOM 516 O GLY A 34 -4.201 -3.951 -2.769 1.00 0.00 O ATOM 0 H GLY A 34 -5.125 -6.105 -0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.474 -6.807 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.337 -5.316 -3.174 1.00 0.00 H new ATOM 520 N LYS A 35 -3.124 -5.882 -3.186 1.00 0.00 N ATOM 521 CA LYS A 35 -1.815 -5.250 -3.308 1.00 0.00 C ATOM 522 C LYS A 35 -1.440 -5.063 -4.774 1.00 0.00 C ATOM 523 O LYS A 35 -1.959 -5.755 -5.651 1.00 0.00 O ATOM 524 CB LYS A 35 -0.746 -6.087 -2.601 1.00 0.00 C ATOM 525 CG LYS A 35 -0.863 -7.580 -2.867 1.00 0.00 C ATOM 526 CD LYS A 35 0.320 -8.345 -2.291 1.00 0.00 C ATOM 527 CE LYS A 35 1.239 -8.861 -3.386 1.00 0.00 C ATOM 528 NZ LYS A 35 1.731 -7.762 -4.263 1.00 0.00 N ATOM 0 H LYS A 35 -3.119 -6.893 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.869 -4.271 -2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.239 -5.746 -2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.812 -5.912 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.788 -7.957 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.923 -7.755 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.882 -7.696 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.043 -9.182 -1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.089 -9.373 -2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.707 -9.596 -3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.578 -8.080 -4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.990 -7.504 -4.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.969 -6.934 -3.681 1.00 0.00 H new ATOM 542 N ARG A 36 -0.537 -4.124 -5.034 1.00 0.00 N ATOM 543 CA ARG A 36 -0.095 -3.848 -6.395 1.00 0.00 C ATOM 544 C ARG A 36 1.425 -3.743 -6.468 1.00 0.00 C ATOM 545 O ARG A 36 1.966 -3.087 -7.357 1.00 0.00 O ATOM 546 CB ARG A 36 -0.732 -2.555 -6.908 1.00 0.00 C ATOM 547 CG ARG A 36 -2.226 -2.463 -6.638 1.00 0.00 C ATOM 548 CD ARG A 36 -2.970 -3.672 -7.186 1.00 0.00 C ATOM 549 NE ARG A 36 -4.014 -3.290 -8.135 1.00 0.00 N ATOM 550 CZ ARG A 36 -3.788 -3.023 -9.419 1.00 0.00 C ATOM 551 NH1 ARG A 36 -2.557 -3.080 -9.911 1.00 0.00 N ATOM 552 NH2 ARG A 36 -4.797 -2.693 -10.214 1.00 0.00 N ATOM 0 H ARG A 36 -0.098 -3.542 -4.321 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.412 -4.678 -7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.234 -1.705 -6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.560 -2.476 -7.981 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.398 -2.385 -5.565 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.623 -1.555 -7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.263 -4.341 -7.676 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.416 -4.228 -6.361 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.973 -3.224 -7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.776 -3.330 -9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.391 -2.874 -10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.745 -2.644 -9.841 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.625 -2.488 -11.198 1.00 0.00 H new ATOM 566 N VAL A 37 2.108 -4.396 -5.526 1.00 0.00 N ATOM 567 CA VAL A 37 3.570 -4.383 -5.478 1.00 0.00 C ATOM 568 C VAL A 37 4.127 -2.984 -5.751 1.00 0.00 C ATOM 569 O VAL A 37 4.821 -2.766 -6.744 1.00 0.00 O ATOM 570 CB VAL A 37 4.172 -5.393 -6.484 1.00 0.00 C ATOM 571 CG1 VAL A 37 3.650 -5.137 -7.890 1.00 0.00 C ATOM 572 CG2 VAL A 37 5.696 -5.354 -6.458 1.00 0.00 C ATOM 0 H VAL A 37 1.670 -4.942 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 37 3.859 -4.679 -4.469 1.00 0.00 H new ATOM 0 HB VAL A 37 3.857 -6.391 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.088 -5.860 -8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.565 -5.239 -7.899 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.923 -4.129 -8.201 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.091 -6.074 -7.175 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.039 -4.354 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.049 -5.606 -5.458 1.00 0.00 H new ATOM 582 N ASP A 38 3.821 -2.043 -4.859 1.00 0.00 N ATOM 583 CA ASP A 38 4.292 -0.666 -5.005 1.00 0.00 C ATOM 584 C ASP A 38 3.765 0.228 -3.884 1.00 0.00 C ATOM 585 O ASP A 38 2.596 0.611 -3.883 1.00 0.00 O ATOM 586 CB ASP A 38 3.861 -0.093 -6.358 1.00 0.00 C ATOM 587 CG ASP A 38 4.492 1.256 -6.642 1.00 0.00 C ATOM 588 OD1 ASP A 38 5.738 1.338 -6.654 1.00 0.00 O ATOM 589 OD2 ASP A 38 3.740 2.231 -6.854 1.00 0.00 O ATOM 0 H ASP A 38 3.251 -2.208 -4.030 1.00 0.00 H new ATOM 0 HA ASP A 38 5.380 -0.687 -4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.133 -0.792 -7.149 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.776 0.005 -6.379 1.00 0.00 H new ATOM 594 N LEU A 39 4.640 0.565 -2.936 1.00 0.00 N ATOM 595 CA LEU A 39 4.271 1.426 -1.811 1.00 0.00 C ATOM 596 C LEU A 39 5.405 1.475 -0.774 1.00 0.00 C ATOM 597 O LEU A 39 6.547 1.771 -1.124 1.00 0.00 O ATOM 598 CB LEU A 39 2.950 0.957 -1.185 1.00 0.00 C ATOM 599 CG LEU A 39 2.820 -0.559 -0.995 1.00 0.00 C ATOM 600 CD1 LEU A 39 2.590 -0.897 0.470 1.00 0.00 C ATOM 601 CD2 LEU A 39 1.691 -1.115 -1.857 1.00 0.00 C ATOM 0 H LEU A 39 5.611 0.254 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 39 4.119 2.440 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.835 1.440 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.127 1.300 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 39 3.753 -1.024 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.500 -1.977 0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.431 -0.538 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.673 -0.418 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.616 -2.192 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.750 -0.643 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.899 -0.908 -2.907 1.00 0.00 H new ATOM 613 N GLY A 40 5.100 1.192 0.497 1.00 0.00 N ATOM 614 CA GLY A 40 6.116 1.220 1.523 1.00 0.00 C ATOM 615 C GLY A 40 5.724 2.071 2.703 1.00 0.00 C ATOM 616 O GLY A 40 4.651 1.897 3.280 1.00 0.00 O ATOM 0 H GLY A 40 4.166 0.945 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.313 0.203 1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.045 1.600 1.099 1.00 0.00 H new ATOM 620 N CYS A 41 6.610 2.989 3.062 1.00 0.00 N ATOM 621 CA CYS A 41 6.395 3.892 4.184 1.00 0.00 C ATOM 622 C CYS A 41 6.776 3.214 5.495 1.00 0.00 C ATOM 623 O CYS A 41 5.916 2.711 6.218 1.00 0.00 O ATOM 624 CB CYS A 41 4.940 4.364 4.259 1.00 0.00 C ATOM 625 SG CYS A 41 4.143 4.741 2.664 1.00 0.00 S ATOM 0 H CYS A 41 7.500 3.129 2.583 1.00 0.00 H new ATOM 0 HA CYS A 41 7.031 4.763 4.025 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.354 3.595 4.763 1.00 0.00 H new ATOM 0 HB3 CYS A 41 4.899 5.256 4.883 1.00 0.00 H new ATOM 630 N ALA A 42 8.069 3.203 5.796 1.00 0.00 N ATOM 631 CA ALA A 42 8.561 2.586 7.020 1.00 0.00 C ATOM 632 C ALA A 42 9.877 3.218 7.459 1.00 0.00 C ATOM 633 O ALA A 42 10.269 4.271 6.956 1.00 0.00 O ATOM 634 CB ALA A 42 8.732 1.087 6.823 1.00 0.00 C ATOM 0 H ALA A 42 8.795 3.614 5.209 1.00 0.00 H new ATOM 0 HA ALA A 42 7.826 2.755 7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.100 0.638 7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.772 0.643 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.447 0.905 6.020 1.00 0.00 H new ATOM 640 N ALA A 43 10.555 2.571 8.400 1.00 0.00 N ATOM 641 CA ALA A 43 11.827 3.072 8.904 1.00 0.00 C ATOM 642 C ALA A 43 12.949 2.070 8.658 1.00 0.00 C ATOM 643 O ALA A 43 12.752 0.861 8.777 1.00 0.00 O ATOM 644 CB ALA A 43 11.716 3.391 10.387 1.00 0.00 C ATOM 0 H ALA A 43 10.245 1.699 8.829 1.00 0.00 H new ATOM 0 HA ALA A 43 12.070 3.987 8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.673 3.764 10.751 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.949 4.150 10.539 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.447 2.488 10.934 1.00 0.00 H new ATOM 650 N THR A 44 14.127 2.583 8.317 1.00 0.00 N ATOM 651 CA THR A 44 15.289 1.738 8.056 1.00 0.00 C ATOM 652 C THR A 44 15.048 0.820 6.860 1.00 0.00 C ATOM 653 O THR A 44 13.964 0.259 6.701 1.00 0.00 O ATOM 654 CB THR A 44 15.637 0.904 9.294 1.00 0.00 C ATOM 655 OG1 THR A 44 14.855 -0.276 9.342 1.00 0.00 O ATOM 656 CG2 THR A 44 15.432 1.644 10.600 1.00 0.00 C ATOM 0 H THR A 44 14.303 3.582 8.215 1.00 0.00 H new ATOM 0 HA THR A 44 16.128 2.393 7.821 1.00 0.00 H new ATOM 0 HB THR A 44 16.697 0.673 9.192 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.924 -0.061 9.123 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.698 0.993 11.433 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.063 2.532 10.618 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.387 1.940 10.690 1.00 0.00 H new ATOM 664 N CYS A 45 16.071 0.669 6.025 1.00 0.00 N ATOM 665 CA CYS A 45 15.982 -0.183 4.844 1.00 0.00 C ATOM 666 C CYS A 45 17.040 -1.285 4.896 1.00 0.00 C ATOM 667 O CYS A 45 18.193 -1.059 4.528 1.00 0.00 O ATOM 668 CB CYS A 45 16.165 0.651 3.572 1.00 0.00 C ATOM 669 SG CYS A 45 14.778 1.777 3.208 1.00 0.00 S ATOM 0 H CYS A 45 16.974 1.127 6.145 1.00 0.00 H new ATOM 0 HA CYS A 45 14.994 -0.644 4.829 1.00 0.00 H new ATOM 0 HB2 CYS A 45 17.079 1.237 3.664 1.00 0.00 H new ATOM 0 HB3 CYS A 45 16.302 -0.023 2.726 1.00 0.00 H new ATOM 674 N PRO A 46 16.666 -2.496 5.360 1.00 0.00 N ATOM 675 CA PRO A 46 17.594 -3.625 5.461 1.00 0.00 C ATOM 676 C PRO A 46 18.558 -3.706 4.275 1.00 0.00 C ATOM 677 O PRO A 46 19.722 -3.324 4.394 1.00 0.00 O ATOM 678 CB PRO A 46 16.657 -4.830 5.503 1.00 0.00 C ATOM 679 CG PRO A 46 15.429 -4.324 6.180 1.00 0.00 C ATOM 680 CD PRO A 46 15.313 -2.859 5.830 1.00 0.00 C ATOM 0 HA PRO A 46 18.250 -3.549 6.328 1.00 0.00 H new ATOM 0 HB2 PRO A 46 16.435 -5.196 4.500 1.00 0.00 H new ATOM 0 HB3 PRO A 46 17.101 -5.659 6.054 1.00 0.00 H new ATOM 0 HG2 PRO A 46 14.549 -4.873 5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.498 -4.460 7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.563 -2.691 5.057 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.018 -2.264 6.694 1.00 0.00 H new ATOM 688 N THR A 47 18.073 -4.189 3.132 1.00 0.00 N ATOM 689 CA THR A 47 18.912 -4.295 1.940 1.00 0.00 C ATOM 690 C THR A 47 18.143 -4.835 0.728 1.00 0.00 C ATOM 691 O THR A 47 18.751 -5.157 -0.293 1.00 0.00 O ATOM 692 CB THR A 47 20.132 -5.177 2.220 1.00 0.00 C ATOM 693 OG1 THR A 47 21.042 -5.133 1.135 1.00 0.00 O ATOM 694 CG2 THR A 47 19.781 -6.626 2.463 1.00 0.00 C ATOM 0 H THR A 47 17.113 -4.510 3.007 1.00 0.00 H new ATOM 0 HA THR A 47 19.241 -3.285 1.694 1.00 0.00 H new ATOM 0 HB THR A 47 20.578 -4.771 3.128 1.00 0.00 H new ATOM 0 HG1 THR A 47 20.545 -5.144 0.290 1.00 0.00 H new ATOM 0 HG21 THR A 47 20.692 -7.194 2.655 1.00 0.00 H new ATOM 0 HG22 THR A 47 19.119 -6.700 3.326 1.00 0.00 H new ATOM 0 HG23 THR A 47 19.279 -7.031 1.584 1.00 0.00 H new ATOM 702 N VAL A 48 16.813 -4.914 0.823 1.00 0.00 N ATOM 703 CA VAL A 48 16.000 -5.393 -0.299 1.00 0.00 C ATOM 704 C VAL A 48 16.312 -6.828 -0.651 1.00 0.00 C ATOM 705 O VAL A 48 17.269 -7.103 -1.377 1.00 0.00 O ATOM 706 CB VAL A 48 16.282 -4.581 -1.545 1.00 0.00 C ATOM 707 CG1 VAL A 48 15.279 -4.888 -2.648 1.00 0.00 C ATOM 708 CG2 VAL A 48 16.315 -3.100 -1.220 1.00 0.00 C ATOM 0 H VAL A 48 16.281 -4.656 1.654 1.00 0.00 H new ATOM 0 HA VAL A 48 14.962 -5.298 0.020 1.00 0.00 H new ATOM 0 HB VAL A 48 17.266 -4.866 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 48 15.511 -4.288 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.334 -5.946 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 48 14.273 -4.651 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 48 16.519 -2.533 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.352 -2.796 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 48 17.098 -2.906 -0.487 1.00 0.00 H new ATOM 718 N LYS A 49 15.514 -7.739 -0.141 1.00 0.00 N ATOM 719 CA LYS A 49 15.723 -9.162 -0.406 1.00 0.00 C ATOM 720 C LYS A 49 14.840 -10.034 0.497 1.00 0.00 C ATOM 721 O LYS A 49 13.783 -9.594 0.948 1.00 0.00 O ATOM 722 CB LYS A 49 17.212 -9.506 -0.227 1.00 0.00 C ATOM 723 CG LYS A 49 17.911 -8.657 0.827 1.00 0.00 C ATOM 724 CD LYS A 49 17.486 -9.065 2.230 1.00 0.00 C ATOM 725 CE LYS A 49 16.865 -7.906 2.998 1.00 0.00 C ATOM 726 NZ LYS A 49 17.659 -7.546 4.207 1.00 0.00 N ATOM 0 H LYS A 49 14.715 -7.531 0.458 1.00 0.00 H new ATOM 0 HA LYS A 49 15.433 -9.373 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 49 17.303 -10.557 0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.723 -9.379 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.991 -8.763 0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.677 -7.605 0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 49 16.769 -9.884 2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.352 -9.440 2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.788 -7.038 2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.851 -8.171 3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 17.050 -7.591 5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.449 -8.214 4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.033 -6.581 4.102 1.00 0.00 H new ATOM 740 N THR A 50 15.273 -11.275 0.742 1.00 0.00 N ATOM 741 CA THR A 50 14.524 -12.218 1.575 1.00 0.00 C ATOM 742 C THR A 50 13.122 -12.446 1.022 1.00 0.00 C ATOM 743 O THR A 50 12.128 -12.297 1.732 1.00 0.00 O ATOM 744 CB THR A 50 14.448 -11.736 3.027 1.00 0.00 C ATOM 745 OG1 THR A 50 13.694 -10.541 3.133 1.00 0.00 O ATOM 746 CG2 THR A 50 15.806 -11.487 3.645 1.00 0.00 C ATOM 0 H THR A 50 16.146 -11.651 0.371 1.00 0.00 H new ATOM 0 HA THR A 50 15.061 -13.166 1.556 1.00 0.00 H new ATOM 0 HB THR A 50 13.962 -12.547 3.570 1.00 0.00 H new ATOM 0 HG1 THR A 50 13.251 -10.357 2.278 1.00 0.00 H new ATOM 0 HG21 THR A 50 15.681 -11.148 4.673 1.00 0.00 H new ATOM 0 HG22 THR A 50 16.385 -12.410 3.635 1.00 0.00 H new ATOM 0 HG23 THR A 50 16.332 -10.723 3.072 1.00 0.00 H new ATOM 754 N GLY A 51 13.054 -12.814 -0.253 1.00 0.00 N ATOM 755 CA GLY A 51 11.772 -13.064 -0.889 1.00 0.00 C ATOM 756 C GLY A 51 10.840 -11.872 -0.800 1.00 0.00 C ATOM 757 O GLY A 51 9.639 -12.028 -0.580 1.00 0.00 O ATOM 0 H GLY A 51 13.864 -12.944 -0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.933 -13.318 -1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.299 -13.927 -0.420 1.00 0.00 H new ATOM 761 N VAL A 52 11.398 -10.678 -0.970 1.00 0.00 N ATOM 762 CA VAL A 52 10.615 -9.450 -0.905 1.00 0.00 C ATOM 763 C VAL A 52 11.106 -8.433 -1.930 1.00 0.00 C ATOM 764 O VAL A 52 12.290 -8.096 -1.960 1.00 0.00 O ATOM 765 CB VAL A 52 10.691 -8.810 0.492 1.00 0.00 C ATOM 766 CG1 VAL A 52 9.657 -7.706 0.626 1.00 0.00 C ATOM 767 CG2 VAL A 52 10.509 -9.861 1.577 1.00 0.00 C ATOM 0 H VAL A 52 12.391 -10.535 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 52 9.582 -9.723 -1.122 1.00 0.00 H new ATOM 0 HB VAL A 52 11.680 -8.368 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.724 -7.264 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.844 -6.939 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.660 -8.122 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.566 -9.386 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.536 -10.338 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.294 -10.612 1.491 1.00 0.00 H new ATOM 777 N ASP A 53 10.196 -7.936 -2.762 1.00 0.00 N ATOM 778 CA ASP A 53 10.555 -6.948 -3.773 1.00 0.00 C ATOM 779 C ASP A 53 10.560 -5.554 -3.163 1.00 0.00 C ATOM 780 O ASP A 53 9.589 -4.808 -3.280 1.00 0.00 O ATOM 781 CB ASP A 53 9.581 -7.010 -4.953 1.00 0.00 C ATOM 782 CG ASP A 53 10.262 -7.413 -6.246 1.00 0.00 C ATOM 783 OD1 ASP A 53 11.331 -8.056 -6.179 1.00 0.00 O ATOM 784 OD2 ASP A 53 9.725 -7.087 -7.326 1.00 0.00 O ATOM 0 H ASP A 53 9.211 -8.199 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 53 11.556 -7.174 -4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.786 -7.721 -4.727 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.109 -6.036 -5.083 1.00 0.00 H new ATOM 789 N ILE A 54 11.657 -5.218 -2.496 1.00 0.00 N ATOM 790 CA ILE A 54 11.780 -3.921 -1.844 1.00 0.00 C ATOM 791 C ILE A 54 12.386 -2.861 -2.754 1.00 0.00 C ATOM 792 O ILE A 54 13.394 -3.088 -3.421 1.00 0.00 O ATOM 793 CB ILE A 54 12.623 -4.001 -0.552 1.00 0.00 C ATOM 794 CG1 ILE A 54 12.075 -5.088 0.376 1.00 0.00 C ATOM 795 CG2 ILE A 54 12.643 -2.653 0.160 1.00 0.00 C ATOM 796 CD1 ILE A 54 12.774 -5.149 1.717 1.00 0.00 C ATOM 0 H ILE A 54 12.471 -5.823 -2.393 1.00 0.00 H new ATOM 0 HA ILE A 54 10.760 -3.629 -1.596 1.00 0.00 H new ATOM 0 HB ILE A 54 13.646 -4.260 -0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.011 -4.913 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 54 12.168 -6.056 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.242 -2.730 1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.077 -1.900 -0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.625 -2.364 0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.333 -5.942 2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.834 -5.354 1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.659 -4.195 2.231 1.00 0.00 H new ATOM 808 N GLN A 55 11.778 -1.683 -2.727 1.00 0.00 N ATOM 809 CA GLN A 55 12.252 -0.544 -3.487 1.00 0.00 C ATOM 810 C GLN A 55 12.324 0.642 -2.545 1.00 0.00 C ATOM 811 O GLN A 55 11.446 1.507 -2.527 1.00 0.00 O ATOM 812 CB GLN A 55 11.338 -0.244 -4.678 1.00 0.00 C ATOM 813 CG GLN A 55 12.094 0.071 -5.959 1.00 0.00 C ATOM 814 CD GLN A 55 12.134 -1.104 -6.916 1.00 0.00 C ATOM 815 OE1 GLN A 55 12.226 -2.258 -6.497 1.00 0.00 O ATOM 816 NE2 GLN A 55 12.064 -0.816 -8.211 1.00 0.00 N ATOM 0 H GLN A 55 10.941 -1.494 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 55 13.237 -0.760 -3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.687 -1.101 -4.851 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.695 0.600 -4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.625 0.922 -6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.113 0.368 -5.711 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.989 0.155 -8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.086 -1.566 -8.902 1.00 0.00 H new ATOM 825 N CYS A 56 13.367 0.636 -1.729 1.00 0.00 N ATOM 826 CA CYS A 56 13.577 1.674 -0.735 1.00 0.00 C ATOM 827 C CYS A 56 13.876 3.011 -1.403 1.00 0.00 C ATOM 828 O CYS A 56 14.788 3.118 -2.223 1.00 0.00 O ATOM 829 CB CYS A 56 14.708 1.259 0.211 1.00 0.00 C ATOM 830 SG CYS A 56 15.234 2.552 1.385 1.00 0.00 S ATOM 0 H CYS A 56 14.088 -0.086 -1.738 1.00 0.00 H new ATOM 0 HA CYS A 56 12.665 1.799 -0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 56 14.388 0.383 0.776 1.00 0.00 H new ATOM 0 HB3 CYS A 56 15.569 0.957 -0.385 1.00 0.00 H new ATOM 835 N CYS A 57 13.086 4.025 -1.060 1.00 0.00 N ATOM 836 CA CYS A 57 13.252 5.353 -1.641 1.00 0.00 C ATOM 837 C CYS A 57 13.261 6.437 -0.569 1.00 0.00 C ATOM 838 O CYS A 57 12.684 6.275 0.506 1.00 0.00 O ATOM 839 CB CYS A 57 12.134 5.625 -2.650 1.00 0.00 C ATOM 840 SG CYS A 57 12.211 7.274 -3.418 1.00 0.00 S ATOM 0 H CYS A 57 12.326 3.952 -0.384 1.00 0.00 H new ATOM 0 HA CYS A 57 14.216 5.378 -2.149 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.175 4.869 -3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 57 11.172 5.514 -2.149 1.00 0.00 H new ATOM 845 N SER A 58 13.923 7.545 -0.883 1.00 0.00 N ATOM 846 CA SER A 58 14.018 8.673 0.036 1.00 0.00 C ATOM 847 C SER A 58 14.122 9.990 -0.730 1.00 0.00 C ATOM 848 O SER A 58 14.955 10.840 -0.414 1.00 0.00 O ATOM 849 CB SER A 58 15.229 8.508 0.957 1.00 0.00 C ATOM 850 OG SER A 58 14.954 9.010 2.254 1.00 0.00 O ATOM 0 H SER A 58 14.404 7.686 -1.771 1.00 0.00 H new ATOM 0 HA SER A 58 13.112 8.695 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.500 7.454 1.021 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.086 9.033 0.534 1.00 0.00 H new ATOM 0 HG SER A 58 15.742 8.892 2.824 1.00 0.00 H new ATOM 856 N THR A 59 13.269 10.152 -1.738 1.00 0.00 N ATOM 857 CA THR A 59 13.265 11.367 -2.549 1.00 0.00 C ATOM 858 C THR A 59 12.110 12.291 -2.164 1.00 0.00 C ATOM 859 O THR A 59 11.841 13.272 -2.855 1.00 0.00 O ATOM 860 CB THR A 59 13.170 11.017 -4.038 1.00 0.00 C ATOM 861 OG1 THR A 59 13.157 12.194 -4.829 1.00 0.00 O ATOM 862 CG2 THR A 59 11.933 10.216 -4.391 1.00 0.00 C ATOM 0 H THR A 59 12.573 9.459 -2.013 1.00 0.00 H new ATOM 0 HA THR A 59 14.202 11.891 -2.360 1.00 0.00 H new ATOM 0 HB THR A 59 14.049 10.407 -4.246 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.657 12.896 -4.363 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.930 10.003 -5.460 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.935 9.279 -3.835 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.042 10.789 -4.133 1.00 0.00 H new ATOM 870 N ASP A 60 11.427 11.972 -1.065 1.00 0.00 N ATOM 871 CA ASP A 60 10.297 12.777 -0.606 1.00 0.00 C ATOM 872 C ASP A 60 9.131 12.664 -1.581 1.00 0.00 C ATOM 873 O ASP A 60 8.088 12.097 -1.256 1.00 0.00 O ATOM 874 CB ASP A 60 10.706 14.243 -0.447 1.00 0.00 C ATOM 875 CG ASP A 60 11.989 14.403 0.344 1.00 0.00 C ATOM 876 OD1 ASP A 60 13.075 14.368 -0.272 1.00 0.00 O ATOM 877 OD2 ASP A 60 11.907 14.563 1.580 1.00 0.00 O ATOM 0 H ASP A 60 11.636 11.164 -0.478 1.00 0.00 H new ATOM 0 HA ASP A 60 9.982 12.396 0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.832 14.691 -1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.905 14.789 0.051 1.00 0.00 H new ATOM 882 N ASN A 61 9.321 13.200 -2.782 1.00 0.00 N ATOM 883 CA ASN A 61 8.293 13.154 -3.813 1.00 0.00 C ATOM 884 C ASN A 61 8.485 11.931 -4.705 1.00 0.00 C ATOM 885 O ASN A 61 8.466 12.034 -5.932 1.00 0.00 O ATOM 886 CB ASN A 61 8.330 14.431 -4.656 1.00 0.00 C ATOM 887 CG ASN A 61 8.253 15.687 -3.810 1.00 0.00 C ATOM 888 OD1 ASN A 61 7.450 15.775 -2.881 1.00 0.00 O ATOM 889 ND2 ASN A 61 9.090 16.667 -4.129 1.00 0.00 N ATOM 0 H ASN A 61 10.180 13.672 -3.065 1.00 0.00 H new ATOM 0 HA ASN A 61 7.320 13.081 -3.327 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.248 14.448 -5.244 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.500 14.421 -5.362 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.084 17.536 -3.596 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.739 16.550 -4.907 1.00 0.00 H new ATOM 896 N CYS A 62 8.668 10.772 -4.078 1.00 0.00 N ATOM 897 CA CYS A 62 8.858 9.532 -4.805 1.00 0.00 C ATOM 898 C CYS A 62 7.531 9.065 -5.395 1.00 0.00 C ATOM 899 O CYS A 62 6.684 9.878 -5.763 1.00 0.00 O ATOM 900 CB CYS A 62 9.443 8.465 -3.866 1.00 0.00 C ATOM 901 SG CYS A 62 10.612 7.315 -4.670 1.00 0.00 S ATOM 0 H CYS A 62 8.688 10.672 -3.063 1.00 0.00 H new ATOM 0 HA CYS A 62 9.558 9.696 -5.624 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.952 8.964 -3.041 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.624 7.889 -3.434 1.00 0.00 H new ATOM 906 N ASN A 63 7.355 7.756 -5.476 1.00 0.00 N ATOM 907 CA ASN A 63 6.129 7.174 -6.013 1.00 0.00 C ATOM 908 C ASN A 63 5.917 7.590 -7.471 1.00 0.00 C ATOM 909 O ASN A 63 5.741 8.772 -7.767 1.00 0.00 O ATOM 910 CB ASN A 63 4.928 7.598 -5.160 1.00 0.00 C ATOM 911 CG ASN A 63 3.606 7.126 -5.733 1.00 0.00 C ATOM 912 OD1 ASN A 63 3.384 5.929 -5.913 1.00 0.00 O ATOM 913 ND2 ASN A 63 2.718 8.070 -6.024 1.00 0.00 N ATOM 0 H ASN A 63 8.048 7.071 -5.176 1.00 0.00 H new ATOM 0 HA ASN A 63 6.223 6.089 -5.981 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.045 7.200 -4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.915 8.685 -5.074 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.810 7.814 -6.413 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.944 9.051 -5.859 1.00 0.00 H new ATOM 920 N PRO A 64 5.933 6.620 -8.406 1.00 0.00 N ATOM 921 CA PRO A 64 5.744 6.893 -9.831 1.00 0.00 C ATOM 922 C PRO A 64 4.273 7.028 -10.211 1.00 0.00 C ATOM 923 O PRO A 64 3.642 6.060 -10.636 1.00 0.00 O ATOM 924 CB PRO A 64 6.356 5.663 -10.494 1.00 0.00 C ATOM 925 CG PRO A 64 6.114 4.557 -9.524 1.00 0.00 C ATOM 926 CD PRO A 64 6.138 5.179 -8.149 1.00 0.00 C ATOM 0 HA PRO A 64 6.197 7.837 -10.134 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.888 5.456 -11.456 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.421 5.801 -10.681 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.155 4.076 -9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.880 3.787 -9.615 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.353 4.771 -7.512 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.086 4.994 -7.644 1.00 0.00 H new ATOM 934 N PHE A 65 3.734 8.232 -10.059 1.00 0.00 N ATOM 935 CA PHE A 65 2.337 8.492 -10.389 1.00 0.00 C ATOM 936 C PHE A 65 1.404 7.618 -9.551 1.00 0.00 C ATOM 937 O PHE A 65 1.302 6.412 -9.780 1.00 0.00 O ATOM 938 CB PHE A 65 2.088 8.238 -11.878 1.00 0.00 C ATOM 939 CG PHE A 65 0.674 8.512 -12.306 1.00 0.00 C ATOM 940 CD1 PHE A 65 0.043 9.690 -11.939 1.00 0.00 C ATOM 941 CD2 PHE A 65 -0.024 7.593 -13.072 1.00 0.00 C ATOM 942 CE1 PHE A 65 -1.258 9.946 -12.330 1.00 0.00 C ATOM 943 CE2 PHE A 65 -1.325 7.843 -13.466 1.00 0.00 C ATOM 944 CZ PHE A 65 -1.943 9.022 -13.094 1.00 0.00 C ATOM 0 H PHE A 65 4.243 9.044 -9.709 1.00 0.00 H new ATOM 0 HA PHE A 65 2.126 9.537 -10.163 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.763 8.863 -12.463 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.334 7.201 -12.107 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.574 10.416 -11.341 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.454 6.670 -13.365 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.738 10.868 -12.038 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.858 7.118 -14.064 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.960 9.220 -13.400 1.00 0.00 H new ATOM 954 N PRO A 66 0.707 8.213 -8.565 1.00 0.00 N ATOM 955 CA PRO A 66 -0.218 7.474 -7.697 1.00 0.00 C ATOM 956 C PRO A 66 -1.280 6.721 -8.491 1.00 0.00 C ATOM 957 O PRO A 66 -2.184 7.326 -9.066 1.00 0.00 O ATOM 958 CB PRO A 66 -0.867 8.569 -6.845 1.00 0.00 C ATOM 959 CG PRO A 66 0.103 9.698 -6.869 1.00 0.00 C ATOM 960 CD PRO A 66 0.764 9.645 -8.217 1.00 0.00 C ATOM 0 HA PRO A 66 0.297 6.712 -7.112 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.832 8.868 -7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.046 8.223 -5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.404 10.651 -6.720 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.837 9.599 -6.070 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.237 10.258 -8.948 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.791 10.009 -8.176 1.00 0.00 H new ATOM 968 N THR A 67 -1.165 5.397 -8.513 1.00 0.00 N ATOM 969 CA THR A 67 -2.117 4.559 -9.233 1.00 0.00 C ATOM 970 C THR A 67 -2.922 3.702 -8.261 1.00 0.00 C ATOM 971 O THR A 67 -2.379 3.166 -7.295 1.00 0.00 O ATOM 972 CB THR A 67 -1.386 3.665 -10.237 1.00 0.00 C ATOM 973 OG1 THR A 67 -2.243 2.645 -10.718 1.00 0.00 O ATOM 974 CG2 THR A 67 -0.156 2.997 -9.660 1.00 0.00 C ATOM 0 H THR A 67 -0.422 4.882 -8.041 1.00 0.00 H new ATOM 0 HA THR A 67 -2.804 5.210 -9.774 1.00 0.00 H new ATOM 0 HB THR A 67 -1.074 4.331 -11.042 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.706 1.916 -11.092 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.314 2.378 -10.424 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.549 3.759 -9.326 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.444 2.373 -8.814 1.00 0.00 H new ATOM 982 N ARG A 68 -4.220 3.579 -8.521 1.00 0.00 N ATOM 983 CA ARG A 68 -5.097 2.786 -7.663 1.00 0.00 C ATOM 984 C ARG A 68 -5.316 1.390 -8.245 1.00 0.00 C ATOM 985 O ARG A 68 -4.611 0.446 -7.889 1.00 0.00 O ATOM 986 CB ARG A 68 -6.444 3.494 -7.447 1.00 0.00 C ATOM 987 CG ARG A 68 -6.882 4.374 -8.610 1.00 0.00 C ATOM 988 CD ARG A 68 -8.397 4.458 -8.706 1.00 0.00 C ATOM 989 NE ARG A 68 -8.833 5.650 -9.429 1.00 0.00 N ATOM 990 CZ ARG A 68 -10.048 5.796 -9.953 1.00 0.00 C ATOM 991 NH1 ARG A 68 -10.949 4.829 -9.838 1.00 0.00 N ATOM 992 NH2 ARG A 68 -10.363 6.914 -10.594 1.00 0.00 N ATOM 0 H ARG A 68 -4.687 4.016 -9.315 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.607 2.681 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.212 2.742 -7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.379 4.106 -6.547 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.468 5.375 -8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.479 3.975 -9.541 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.778 3.569 -9.208 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.824 4.465 -7.703 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.168 6.415 -9.539 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.712 3.967 -9.346 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.878 4.947 -10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.674 7.661 -10.685 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.294 7.027 -10.996 1.00 0.00 H new ATOM 1006 N LYS A 69 -6.293 1.261 -9.139 1.00 0.00 N ATOM 1007 CA LYS A 69 -6.592 -0.023 -9.761 1.00 0.00 C ATOM 1008 C LYS A 69 -7.237 0.173 -11.129 1.00 0.00 C ATOM 1009 O LYS A 69 -8.445 0.387 -11.232 1.00 0.00 O ATOM 1010 CB LYS A 69 -7.516 -0.846 -8.863 1.00 0.00 C ATOM 1011 CG LYS A 69 -7.086 -0.868 -7.405 1.00 0.00 C ATOM 1012 CD LYS A 69 -8.011 -1.734 -6.565 1.00 0.00 C ATOM 1013 CE LYS A 69 -7.377 -3.078 -6.245 1.00 0.00 C ATOM 1014 NZ LYS A 69 -7.790 -3.584 -4.907 1.00 0.00 N ATOM 0 H LYS A 69 -6.889 2.029 -9.448 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.653 -0.561 -9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.527 -0.443 -8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.556 -1.869 -9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.066 -1.245 -7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.080 0.148 -7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.254 -1.215 -5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.949 -1.890 -7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.658 -3.803 -7.009 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.292 -2.984 -6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.522 -4.585 -4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.316 -3.030 -4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.821 -3.491 -4.804 1.00 0.00 H new ATOM 1028 N ARG A 70 -6.424 0.097 -12.177 1.00 0.00 N ATOM 1029 CA ARG A 70 -6.916 0.265 -13.539 1.00 0.00 C ATOM 1030 C ARG A 70 -5.799 0.029 -14.555 1.00 0.00 C ATOM 1031 O ARG A 70 -5.878 -0.889 -15.372 1.00 0.00 O ATOM 1032 CB ARG A 70 -7.506 1.666 -13.721 1.00 0.00 C ATOM 1033 CG ARG A 70 -9.018 1.675 -13.872 1.00 0.00 C ATOM 1034 CD ARG A 70 -9.524 3.033 -14.333 1.00 0.00 C ATOM 1035 NE ARG A 70 -10.726 3.442 -13.610 1.00 0.00 N ATOM 1036 CZ ARG A 70 -11.903 2.831 -13.722 1.00 0.00 C ATOM 1037 NH1 ARG A 70 -12.040 1.783 -14.525 1.00 0.00 N ATOM 1038 NH2 ARG A 70 -12.945 3.269 -13.030 1.00 0.00 N ATOM 0 H ARG A 70 -5.422 -0.080 -12.109 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.698 -0.474 -13.711 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.231 2.281 -12.864 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.059 2.128 -14.601 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.318 0.911 -14.590 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.481 1.417 -12.920 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.743 3.779 -14.189 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.738 2.997 -15.401 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.659 4.243 -12.982 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.241 1.442 -15.060 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.944 1.318 -14.607 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.845 4.074 -12.412 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.847 2.801 -13.116 1.00 0.00 H new ATOM 1052 N PRO A 71 -4.740 0.857 -14.520 1.00 0.00 N ATOM 1053 CA PRO A 71 -3.609 0.730 -15.443 1.00 0.00 C ATOM 1054 C PRO A 71 -2.721 -0.464 -15.110 1.00 0.00 C ATOM 1055 O PRO A 71 -1.885 -0.340 -14.190 1.00 0.00 O ATOM 1056 CB PRO A 71 -2.844 2.038 -15.245 1.00 0.00 C ATOM 1057 CG PRO A 71 -3.154 2.445 -13.846 1.00 0.00 C ATOM 1058 CD PRO A 71 -4.561 1.981 -13.579 1.00 0.00 C ATOM 1059 OXT PRO A 71 -2.870 -1.515 -15.769 1.00 0.00 O ATOM 0 HA PRO A 71 -3.936 0.563 -16.469 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.773 1.897 -15.389 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.164 2.797 -15.959 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.454 1.992 -13.144 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.070 3.525 -13.727 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.689 1.662 -12.545 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.286 2.775 -13.760 1.00 0.00 H new ATOM 1068 N TYR B 181 -28.219 -4.559 -0.348 1.00 0.00 N ATOM 1069 CA TYR B 181 -29.197 -5.141 0.608 1.00 0.00 C ATOM 1070 C TYR B 181 -28.820 -6.571 0.981 1.00 0.00 C ATOM 1071 O TYR B 181 -29.688 -7.405 1.235 1.00 0.00 O ATOM 1072 CB TYR B 181 -30.583 -5.112 -0.037 1.00 0.00 C ATOM 1073 CG TYR B 181 -31.711 -5.379 0.934 1.00 0.00 C ATOM 1074 CD1 TYR B 181 -32.161 -4.386 1.794 1.00 0.00 C ATOM 1075 CD2 TYR B 181 -32.326 -6.624 0.990 1.00 0.00 C ATOM 1076 CE1 TYR B 181 -33.192 -4.625 2.683 1.00 0.00 C ATOM 1077 CE2 TYR B 181 -33.357 -6.871 1.876 1.00 0.00 C ATOM 1078 CZ TYR B 181 -33.786 -5.869 2.720 1.00 0.00 C ATOM 1079 OH TYR B 181 -34.813 -6.111 3.604 1.00 0.00 O ATOM 0 HA TYR B 181 -29.196 -4.552 1.525 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -30.738 -4.138 -0.501 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -30.619 -5.854 -0.834 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -31.698 -3.411 1.768 1.00 0.00 H new ATOM 0 HD2 TYR B 181 -31.993 -7.411 0.330 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -33.531 -3.842 3.345 1.00 0.00 H new ATOM 0 HE2 TYR B 181 -33.824 -7.844 1.907 1.00 0.00 H new ATOM 0 HH TYR B 181 -35.122 -7.036 3.502 1.00 0.00 H new ATOM 1091 N ARG B 182 -27.520 -6.847 1.013 1.00 0.00 N ATOM 1092 CA ARG B 182 -27.029 -8.176 1.356 1.00 0.00 C ATOM 1093 C ARG B 182 -25.740 -8.087 2.167 1.00 0.00 C ATOM 1094 O ARG B 182 -25.721 -8.406 3.356 1.00 0.00 O ATOM 1095 CB ARG B 182 -26.792 -8.999 0.087 1.00 0.00 C ATOM 1096 CG ARG B 182 -27.159 -10.467 0.236 1.00 0.00 C ATOM 1097 CD ARG B 182 -26.373 -11.339 -0.730 1.00 0.00 C ATOM 1098 NE ARG B 182 -27.240 -12.005 -1.700 1.00 0.00 N ATOM 1099 CZ ARG B 182 -27.935 -13.110 -1.437 1.00 0.00 C ATOM 1100 NH1 ARG B 182 -27.874 -13.672 -0.236 1.00 0.00 N ATOM 1101 NH2 ARG B 182 -28.695 -13.654 -2.378 1.00 0.00 N ATOM 0 H ARG B 182 -26.788 -6.168 0.805 1.00 0.00 H new ATOM 0 HA ARG B 182 -27.786 -8.670 1.964 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -27.373 -8.569 -0.729 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -25.742 -8.922 -0.195 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -26.965 -10.789 1.259 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -28.227 -10.596 0.058 1.00 0.00 H new ATOM 0 HD2 ARG B 182 -25.642 -10.726 -1.258 1.00 0.00 H new ATOM 0 HD3 ARG B 182 -25.815 -12.088 -0.169 1.00 0.00 H new ATOM 0 HE ARG B 182 -27.317 -11.600 -2.633 1.00 0.00 H new ATOM 0 HH11 ARG B 182 -27.292 -13.257 0.492 1.00 0.00 H new ATOM 0 HH12 ARG B 182 -28.409 -14.518 -0.041 1.00 0.00 H new ATOM 0 HH21 ARG B 182 -28.747 -13.226 -3.302 1.00 0.00 H new ATOM 0 HH22 ARG B 182 -29.228 -14.500 -2.177 1.00 0.00 H new ATOM 1115 N GLY B 183 -24.666 -7.652 1.518 1.00 0.00 N ATOM 1116 CA GLY B 183 -23.388 -7.529 2.195 1.00 0.00 C ATOM 1117 C GLY B 183 -23.191 -6.163 2.822 1.00 0.00 C ATOM 1118 O GLY B 183 -24.045 -5.685 3.570 1.00 0.00 O ATOM 0 H GLY B 183 -24.657 -7.382 0.534 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -23.315 -8.294 2.968 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -22.584 -7.718 1.483 1.00 0.00 H new ATOM 1122 N TRP B 184 -22.061 -5.534 2.518 1.00 0.00 N ATOM 1123 CA TRP B 184 -21.746 -4.215 3.055 1.00 0.00 C ATOM 1124 C TRP B 184 -20.755 -3.490 2.145 1.00 0.00 C ATOM 1125 O TRP B 184 -20.628 -3.822 0.967 1.00 0.00 O ATOM 1126 CB TRP B 184 -21.180 -4.347 4.475 1.00 0.00 C ATOM 1127 CG TRP B 184 -19.751 -4.804 4.517 1.00 0.00 C ATOM 1128 CD1 TRP B 184 -18.672 -4.077 4.933 1.00 0.00 C ATOM 1129 CD2 TRP B 184 -19.244 -6.087 4.126 1.00 0.00 C ATOM 1130 NE1 TRP B 184 -17.527 -4.828 4.826 1.00 0.00 N ATOM 1131 CE2 TRP B 184 -17.852 -6.065 4.334 1.00 0.00 C ATOM 1132 CE3 TRP B 184 -19.832 -7.251 3.623 1.00 0.00 C ATOM 1133 CZ2 TRP B 184 -17.040 -7.162 4.055 1.00 0.00 C ATOM 1134 CZ3 TRP B 184 -19.024 -8.339 3.347 1.00 0.00 C ATOM 1135 CH2 TRP B 184 -17.642 -8.288 3.564 1.00 0.00 C ATOM 0 H TRP B 184 -21.346 -5.918 1.900 1.00 0.00 H new ATOM 0 HA TRP B 184 -22.662 -3.625 3.099 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -21.259 -3.383 4.979 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -21.794 -5.051 5.037 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -18.713 -3.060 5.294 1.00 0.00 H new ATOM 0 HE1 TRP B 184 -16.588 -4.516 5.073 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -20.897 -7.300 3.453 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 -15.973 -7.125 4.220 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 -19.467 -9.244 2.957 1.00 0.00 H new ATOM 0 HH2 TRP B 184 -17.039 -9.155 3.339 1.00 0.00 H new ATOM 1146 N LYS B 185 -20.047 -2.503 2.694 1.00 0.00 N ATOM 1147 CA LYS B 185 -19.066 -1.747 1.920 1.00 0.00 C ATOM 1148 C LYS B 185 -18.127 -2.694 1.179 1.00 0.00 C ATOM 1149 O LYS B 185 -17.246 -3.308 1.781 1.00 0.00 O ATOM 1150 CB LYS B 185 -18.265 -0.819 2.835 1.00 0.00 C ATOM 1151 CG LYS B 185 -18.187 0.613 2.330 1.00 0.00 C ATOM 1152 CD LYS B 185 -19.532 1.313 2.428 1.00 0.00 C ATOM 1153 CE LYS B 185 -19.767 2.236 1.244 1.00 0.00 C ATOM 1154 NZ LYS B 185 -21.070 2.949 1.346 1.00 0.00 N ATOM 0 H LYS B 185 -20.135 -2.210 3.667 1.00 0.00 H new ATOM 0 HA LYS B 185 -19.599 -1.141 1.188 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -18.717 -0.822 3.827 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -17.254 -1.213 2.944 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -17.446 1.164 2.909 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -17.849 0.616 1.294 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -20.328 0.570 2.475 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -19.578 1.887 3.353 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -18.958 2.964 1.185 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -19.742 1.656 0.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -21.192 3.568 0.520 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -21.844 2.255 1.376 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -21.085 3.522 2.214 1.00 0.00 H new ATOM 1168 N HIS B 186 -18.333 -2.819 -0.126 1.00 0.00 N ATOM 1169 CA HIS B 186 -17.518 -3.705 -0.947 1.00 0.00 C ATOM 1170 C HIS B 186 -16.179 -3.067 -1.304 1.00 0.00 C ATOM 1171 O HIS B 186 -15.905 -2.792 -2.473 1.00 0.00 O ATOM 1172 CB HIS B 186 -18.273 -4.085 -2.222 1.00 0.00 C ATOM 1173 CG HIS B 186 -17.880 -5.419 -2.775 1.00 0.00 C ATOM 1174 ND1 HIS B 186 -17.030 -5.567 -3.851 1.00 0.00 N ATOM 1175 CD2 HIS B 186 -18.225 -6.673 -2.397 1.00 0.00 C ATOM 1176 CE1 HIS B 186 -16.871 -6.853 -4.111 1.00 0.00 C ATOM 1177 NE2 HIS B 186 -17.585 -7.544 -3.243 1.00 0.00 N ATOM 0 H HIS B 186 -19.058 -2.318 -0.639 1.00 0.00 H new ATOM 0 HA HIS B 186 -17.316 -4.604 -0.365 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -19.343 -4.088 -2.014 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -18.098 -3.321 -2.979 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -18.882 -6.938 -1.582 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -16.261 -7.268 -4.900 1.00 0.00 H new ATOM 0 HE2 HIS B 186 -17.651 -8.561 -3.207 1.00 0.00 H new ATOM 1186 N TRP B 187 -15.339 -2.850 -0.297 1.00 0.00 N ATOM 1187 CA TRP B 187 -14.024 -2.265 -0.525 1.00 0.00 C ATOM 1188 C TRP B 187 -13.069 -2.545 0.622 1.00 0.00 C ATOM 1189 O TRP B 187 -13.341 -2.220 1.778 1.00 0.00 O ATOM 1190 CB TRP B 187 -14.114 -0.760 -0.765 1.00 0.00 C ATOM 1191 CG TRP B 187 -12.885 -0.228 -1.436 1.00 0.00 C ATOM 1192 CD1 TRP B 187 -12.013 0.702 -0.946 1.00 0.00 C ATOM 1193 CD2 TRP B 187 -12.380 -0.617 -2.717 1.00 0.00 C ATOM 1194 NE1 TRP B 187 -10.998 0.915 -1.848 1.00 0.00 N ATOM 1195 CE2 TRP B 187 -11.202 0.117 -2.943 1.00 0.00 C ATOM 1196 CE3 TRP B 187 -12.813 -1.516 -3.696 1.00 0.00 C ATOM 1197 CZ2 TRP B 187 -10.451 -0.023 -4.108 1.00 0.00 C ATOM 1198 CZ3 TRP B 187 -12.067 -1.652 -4.851 1.00 0.00 C ATOM 1199 CH2 TRP B 187 -10.897 -0.910 -5.048 1.00 0.00 C ATOM 0 H TRP B 187 -15.544 -3.069 0.678 1.00 0.00 H new ATOM 0 HA TRP B 187 -13.629 -2.741 -1.422 1.00 0.00 H new ATOM 0 HB2 TRP B 187 -14.987 -0.542 -1.380 1.00 0.00 H new ATOM 0 HB3 TRP B 187 -14.259 -0.248 0.187 1.00 0.00 H new ATOM 0 HD1 TRP B 187 -12.107 1.197 0.009 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -10.219 1.562 -1.723 1.00 0.00 H new ATOM 0 HE3 TRP B 187 -13.714 -2.094 -3.552 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 -9.548 0.549 -4.263 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 -12.392 -2.343 -5.615 1.00 0.00 H new ATOM 0 HH2 TRP B 187 -10.335 -1.041 -5.961 1.00 0.00 H new ATOM 1210 N VAL B 188 -11.936 -3.138 0.274 1.00 0.00 N ATOM 1211 CA VAL B 188 -10.902 -3.463 1.239 1.00 0.00 C ATOM 1212 C VAL B 188 -9.546 -3.009 0.717 1.00 0.00 C ATOM 1213 O VAL B 188 -9.145 -3.374 -0.387 1.00 0.00 O ATOM 1214 CB VAL B 188 -10.847 -4.973 1.531 1.00 0.00 C ATOM 1215 CG1 VAL B 188 -11.974 -5.378 2.469 1.00 0.00 C ATOM 1216 CG2 VAL B 188 -10.906 -5.772 0.238 1.00 0.00 C ATOM 0 H VAL B 188 -11.710 -3.406 -0.684 1.00 0.00 H new ATOM 0 HA VAL B 188 -11.144 -2.943 2.166 1.00 0.00 H new ATOM 0 HB VAL B 188 -9.900 -5.193 2.023 1.00 0.00 H new ATOM 0 HG11 VAL B 188 -11.918 -6.449 2.664 1.00 0.00 H new ATOM 0 HG12 VAL B 188 -11.879 -4.833 3.408 1.00 0.00 H new ATOM 0 HG13 VAL B 188 -12.933 -5.142 2.008 1.00 0.00 H new ATOM 0 HG21 VAL B 188 -10.866 -6.837 0.466 1.00 0.00 H new ATOM 0 HG22 VAL B 188 -11.835 -5.548 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL B 188 -10.059 -5.504 -0.394 1.00 0.00 H new ATOM 1226 N TYR B 189 -8.844 -2.210 1.510 1.00 0.00 N ATOM 1227 CA TYR B 189 -7.534 -1.710 1.116 1.00 0.00 C ATOM 1228 C TYR B 189 -7.645 -0.688 -0.015 1.00 0.00 C ATOM 1229 O TYR B 189 -8.588 -0.721 -0.806 1.00 0.00 O ATOM 1230 CB TYR B 189 -6.645 -2.874 0.679 1.00 0.00 C ATOM 1231 CG TYR B 189 -5.166 -2.567 0.688 1.00 0.00 C ATOM 1232 CD1 TYR B 189 -4.656 -1.502 1.416 1.00 0.00 C ATOM 1233 CD2 TYR B 189 -4.279 -3.354 -0.028 1.00 0.00 C ATOM 1234 CE1 TYR B 189 -3.308 -1.227 1.434 1.00 0.00 C ATOM 1235 CE2 TYR B 189 -2.926 -3.088 -0.018 1.00 0.00 C ATOM 1236 CZ TYR B 189 -2.443 -2.024 0.715 1.00 0.00 C ATOM 1237 OH TYR B 189 -1.093 -1.756 0.726 1.00 0.00 O ATOM 0 H TYR B 189 -9.159 -1.895 2.428 1.00 0.00 H new ATOM 0 HA TYR B 189 -7.089 -1.213 1.978 1.00 0.00 H new ATOM 0 HB2 TYR B 189 -6.831 -3.724 1.336 1.00 0.00 H new ATOM 0 HB3 TYR B 189 -6.934 -3.179 -0.327 1.00 0.00 H new ATOM 0 HD1 TYR B 189 -5.331 -0.876 1.980 1.00 0.00 H new ATOM 0 HD2 TYR B 189 -4.653 -4.189 -0.603 1.00 0.00 H new ATOM 0 HE1 TYR B 189 -2.930 -0.393 2.007 1.00 0.00 H new ATOM 0 HE2 TYR B 189 -2.247 -3.710 -0.582 1.00 0.00 H new ATOM 0 HH TYR B 189 -0.625 -2.413 0.169 1.00 0.00 H new ATOM 1247 N TYR B 190 -6.668 0.218 -0.080 1.00 0.00 N ATOM 1248 CA TYR B 190 -6.624 1.259 -1.103 1.00 0.00 C ATOM 1249 C TYR B 190 -7.596 2.387 -0.787 1.00 0.00 C ATOM 1250 O TYR B 190 -8.632 2.182 -0.155 1.00 0.00 O ATOM 1251 CB TYR B 190 -6.911 0.679 -2.489 1.00 0.00 C ATOM 1252 CG TYR B 190 -5.738 0.767 -3.442 1.00 0.00 C ATOM 1253 CD1 TYR B 190 -4.931 1.898 -3.484 1.00 0.00 C ATOM 1254 CD2 TYR B 190 -5.438 -0.284 -4.299 1.00 0.00 C ATOM 1255 CE1 TYR B 190 -3.860 1.978 -4.353 1.00 0.00 C ATOM 1256 CE2 TYR B 190 -4.368 -0.211 -5.171 1.00 0.00 C ATOM 1257 CZ TYR B 190 -3.583 0.922 -5.193 1.00 0.00 C ATOM 1258 OH TYR B 190 -2.516 0.997 -6.059 1.00 0.00 O ATOM 0 H TYR B 190 -5.887 0.249 0.575 1.00 0.00 H new ATOM 0 HA TYR B 190 -5.615 1.672 -1.105 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -7.203 -0.366 -2.382 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -7.761 1.205 -2.924 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -5.145 2.728 -2.827 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -6.051 -1.173 -4.284 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -3.243 2.864 -4.374 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -4.148 -1.037 -5.831 1.00 0.00 H new ATOM 0 HH TYR B 190 -2.286 1.937 -6.214 1.00 0.00 H new ATOM 1268 N THR B 191 -7.230 3.583 -1.223 1.00 0.00 N ATOM 1269 CA THR B 191 -8.034 4.778 -0.991 1.00 0.00 C ATOM 1270 C THR B 191 -8.821 5.178 -2.241 1.00 0.00 C ATOM 1271 O THR B 191 -9.048 6.365 -2.479 1.00 0.00 O ATOM 1272 CB THR B 191 -7.140 5.957 -0.561 1.00 0.00 C ATOM 1273 OG1 THR B 191 -6.743 6.723 -1.686 1.00 0.00 O ATOM 1274 CG2 THR B 191 -5.874 5.551 0.171 1.00 0.00 C ATOM 0 H THR B 191 -6.371 3.754 -1.746 1.00 0.00 H new ATOM 0 HA THR B 191 -8.739 4.541 -0.195 1.00 0.00 H new ATOM 0 HB THR B 191 -7.762 6.530 0.126 1.00 0.00 H new ATOM 0 HG1 THR B 191 -7.531 7.141 -2.092 1.00 0.00 H new ATOM 0 HG21 THR B 191 -5.305 6.442 0.436 1.00 0.00 H new ATOM 0 HG22 THR B 191 -6.137 5.005 1.077 1.00 0.00 H new ATOM 0 HG23 THR B 191 -5.269 4.913 -0.474 1.00 0.00 H new ATOM 1282 N CYS B 192 -9.231 4.197 -3.044 1.00 0.00 N ATOM 1283 CA CYS B 192 -9.984 4.480 -4.270 1.00 0.00 C ATOM 1284 C CYS B 192 -11.076 5.485 -4.037 1.00 0.00 C ATOM 1285 O CYS B 192 -11.327 6.367 -4.858 1.00 0.00 O ATOM 1286 CB CYS B 192 -10.668 3.213 -4.824 1.00 0.00 C ATOM 1287 SG CYS B 192 -12.382 2.890 -4.191 1.00 0.00 S ATOM 0 H CYS B 192 -9.058 3.207 -2.872 1.00 0.00 H new ATOM 0 HA CYS B 192 -9.250 4.866 -4.977 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -10.709 3.289 -5.911 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -10.044 2.351 -4.588 1.00 0.00 H new ATOM 1292 N CYS B 193 -11.806 5.254 -2.966 1.00 0.00 N ATOM 1293 CA CYS B 193 -12.967 6.042 -2.687 1.00 0.00 C ATOM 1294 C CYS B 193 -13.273 6.085 -1.187 1.00 0.00 C ATOM 1295 O CYS B 193 -13.322 7.165 -0.598 1.00 0.00 O ATOM 1296 CB CYS B 193 -14.124 5.426 -3.494 1.00 0.00 C ATOM 1297 SG CYS B 193 -13.591 4.383 -4.934 1.00 0.00 S ATOM 0 H CYS B 193 -11.608 4.525 -2.280 1.00 0.00 H new ATOM 0 HA CYS B 193 -12.810 7.080 -2.980 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -14.732 4.816 -2.826 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -14.762 6.230 -3.861 1.00 0.00 H new ATOM 1302 N PRO B 194 -13.474 4.920 -0.535 1.00 0.00 N ATOM 1303 CA PRO B 194 -13.757 4.853 0.887 1.00 0.00 C ATOM 1304 C PRO B 194 -12.488 4.647 1.707 1.00 0.00 C ATOM 1305 O PRO B 194 -11.460 4.226 1.177 1.00 0.00 O ATOM 1306 CB PRO B 194 -14.672 3.629 0.992 1.00 0.00 C ATOM 1307 CG PRO B 194 -14.401 2.801 -0.233 1.00 0.00 C ATOM 1308 CD PRO B 194 -13.434 3.570 -1.105 1.00 0.00 C ATOM 0 HA PRO B 194 -14.201 5.771 1.273 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -14.463 3.063 1.900 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -15.719 3.928 1.037 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -13.980 1.835 0.044 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -15.327 2.602 -0.772 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -12.431 3.145 -1.066 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -13.742 3.565 -2.151 1.00 0.00 H new ATOM 1316 N ASP B 195 -12.561 4.946 2.997 1.00 0.00 N ATOM 1317 CA ASP B 195 -11.410 4.792 3.878 1.00 0.00 C ATOM 1318 C ASP B 195 -11.377 3.400 4.503 1.00 0.00 C ATOM 1319 O ASP B 195 -11.893 3.195 5.601 1.00 0.00 O ATOM 1320 CB ASP B 195 -11.436 5.855 4.978 1.00 0.00 C ATOM 1321 CG ASP B 195 -10.081 6.045 5.631 1.00 0.00 C ATOM 1322 OD1 ASP B 195 -9.431 5.029 5.955 1.00 0.00 O ATOM 1323 OD2 ASP B 195 -9.670 7.210 5.819 1.00 0.00 O ATOM 0 H ASP B 195 -13.402 5.296 3.456 1.00 0.00 H new ATOM 0 HA ASP B 195 -10.510 4.920 3.277 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -11.769 6.803 4.555 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -12.165 5.571 5.737 1.00 0.00 H new ATOM 1328 N THR B 196 -10.760 2.448 3.805 1.00 0.00 N ATOM 1329 CA THR B 196 -10.658 1.086 4.306 1.00 0.00 C ATOM 1330 C THR B 196 -9.881 1.056 5.617 1.00 0.00 C ATOM 1331 O THR B 196 -8.678 1.291 5.629 1.00 0.00 O ATOM 1332 CB THR B 196 -10.001 0.192 3.259 1.00 0.00 C ATOM 1333 OG1 THR B 196 -8.958 0.883 2.592 1.00 0.00 O ATOM 1334 CG2 THR B 196 -10.983 -0.301 2.210 1.00 0.00 C ATOM 0 H THR B 196 -10.326 2.598 2.894 1.00 0.00 H new ATOM 0 HA THR B 196 -11.660 0.705 4.502 1.00 0.00 H new ATOM 0 HB THR B 196 -9.609 -0.667 3.804 1.00 0.00 H new ATOM 0 HG1 THR B 196 -9.270 1.173 1.710 1.00 0.00 H new ATOM 0 HG21 THR B 196 -10.461 -0.932 1.491 1.00 0.00 H new ATOM 0 HG22 THR B 196 -11.772 -0.877 2.693 1.00 0.00 H new ATOM 0 HG23 THR B 196 -11.421 0.552 1.692 1.00 0.00 H new ATOM 1342 N PRO B 197 -10.569 0.790 6.748 1.00 0.00 N ATOM 1343 CA PRO B 197 -9.950 0.751 8.068 1.00 0.00 C ATOM 1344 C PRO B 197 -9.524 -0.657 8.487 1.00 0.00 C ATOM 1345 O PRO B 197 -8.353 -0.896 8.781 1.00 0.00 O ATOM 1346 CB PRO B 197 -11.074 1.264 8.965 1.00 0.00 C ATOM 1347 CG PRO B 197 -12.348 0.859 8.282 1.00 0.00 C ATOM 1348 CD PRO B 197 -12.013 0.534 6.841 1.00 0.00 C ATOM 0 HA PRO B 197 -9.030 1.333 8.114 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -11.009 0.830 9.963 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -11.019 2.346 9.083 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -12.789 -0.006 8.777 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -13.082 1.664 8.332 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -12.252 -0.502 6.599 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -12.575 1.161 6.149 1.00 0.00 H new ATOM 1356 N TYR B 198 -10.477 -1.585 8.513 1.00 0.00 N ATOM 1357 CA TYR B 198 -10.194 -2.963 8.895 1.00 0.00 C ATOM 1358 C TYR B 198 -10.708 -3.935 7.838 1.00 0.00 C ATOM 1359 O TYR B 198 -10.676 -5.156 8.093 1.00 0.00 O ATOM 1360 CB TYR B 198 -10.832 -3.280 10.248 1.00 0.00 C ATOM 1361 CG TYR B 198 -12.289 -2.884 10.337 1.00 0.00 C ATOM 1362 CD1 TYR B 198 -13.248 -3.516 9.555 1.00 0.00 C ATOM 1363 CD2 TYR B 198 -12.704 -1.879 11.201 1.00 0.00 C ATOM 1364 CE1 TYR B 198 -14.580 -3.156 9.632 1.00 0.00 C ATOM 1365 CE2 TYR B 198 -14.035 -1.514 11.283 1.00 0.00 C ATOM 1366 CZ TYR B 198 -14.968 -2.156 10.497 1.00 0.00 C ATOM 1367 OH TYR B 198 -16.294 -1.795 10.576 1.00 0.00 O ATOM 0 H TYR B 198 -11.452 -1.406 8.274 1.00 0.00 H new ATOM 0 HA TYR B 198 -9.113 -3.078 8.975 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -10.742 -4.349 10.441 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -10.276 -2.766 11.032 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -12.948 -4.301 8.876 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -11.976 -1.375 11.819 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -15.314 -3.656 9.017 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -14.342 -0.730 11.959 1.00 0.00 H new ATOM 0 HH TYR B 198 -16.399 -1.076 11.234 1.00 0.00 H new