USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 603 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 80 HECFE :(H bumps) USER MOD NoAdj-H: A 80 HEC HAC : A 80 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 80 HEC HAB : A 80 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 80 HEC H2D : A 80 HEC O2D : A 80 HEC CGD :(short bond) USER MOD NoAdj-H: A 80 HEC H2A : A 80 HEC O2A : A 80 HEC CGA :(short bond) USER MOD Set 1.1: A 59 ASN : amide:sc= -0.49! X(o=-0.49!,f=-0.17) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 163:sc= 0 (180deg=0) USER MOD Set 2.1: A 44 TYR OH : rot 133:sc= 1.98 USER MOD Set 2.2: A 54 LYS NZ :NH3+ 166:sc= 0.878 (180deg=-0.0677) USER MOD Set 3.1: A 38 TYR OH : rot 21:sc= 1.76 USER MOD Set 3.2: A 42 LYS NZ :NH3+ 174:sc= 0.663 (180deg=0.0823) USER MOD Set 4.1: A 32 GLN : amide:sc= 2.69 K(o=4,f=-1.2) USER MOD Set 4.2: A 40 LYS NZ :NH3+ -144:sc= 1.27 (180deg=0.0578) USER MOD Set 5.1: A 8 LYS NZ :NH3+ -171:sc= 0.593 (180deg=0) USER MOD Set 5.2: A 75 TYR OH : rot 180:sc= 0.536 USER MOD Single : A 1 ALA N :NH3+ -154:sc= 1.25 (180deg=1.22) USER MOD Single : A 7 TYR OH : rot -178:sc= 1.16 USER MOD Single : A 9 SER OG : rot 87:sc= 0.852 USER MOD Single : A 19 SER OG : rot -81:sc= 1.14 USER MOD Single : A 20 LYS NZ :NH3+ 168:sc=-0.00904 (180deg=-0.149) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc=0.000774 USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 0.651 (180deg=0.228) USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 1.07 (180deg=1.04) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= -0.0137 (180deg=-0.14) USER MOD Single : A 41 MET CE :methyl 144:sc= -2.17 (180deg=-5.37!) USER MOD Single : A 48 SER OG : rot -94:sc= 1.32 USER MOD Single : A 49 TYR OH : rot -174:sc= 1.11 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 175:sc= -0.896 (180deg=-1.22) USER MOD Single : A 58 THR OG1 : rot 177:sc= 0.525 USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= 1.18 (180deg=0.832) USER MOD Single : A 65 SER OG : rot 180:sc= -0.1 USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 0.427 (180deg=0.261) USER MOD Single : A 76 MET CE :methyl -145:sc= -1.07 (180deg=-2.25!) USER MOD Single : A 77 SER OG : rot -38:sc= 0.617 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.046 -10.791 -9.807 1.00 0.00 N ATOM 2 CA ALA A 1 -1.154 -11.852 -9.306 1.00 0.00 C ATOM 3 C ALA A 1 -0.662 -11.438 -7.925 1.00 0.00 C ATOM 4 O ALA A 1 -0.814 -10.266 -7.599 1.00 0.00 O ATOM 5 CB ALA A 1 0.013 -12.101 -10.266 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.719 -11.196 -10.488 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.569 -10.372 -9.011 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.481 -10.055 -10.276 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.699 -12.794 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.651 -12.889 -9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.374 -12.406 -11.238 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.594 -11.186 -10.378 1.00 0.00 H new ATOM 13 N ASP A 2 -0.111 -12.369 -7.140 1.00 0.00 N ATOM 14 CA ASP A 2 0.319 -12.134 -5.763 1.00 0.00 C ATOM 15 C ASP A 2 1.030 -10.791 -5.551 1.00 0.00 C ATOM 16 O ASP A 2 1.840 -10.384 -6.380 1.00 0.00 O ATOM 17 CB ASP A 2 1.217 -13.283 -5.286 1.00 0.00 C ATOM 18 CG ASP A 2 2.600 -13.231 -5.931 1.00 0.00 C ATOM 19 OD1 ASP A 2 2.700 -13.698 -7.086 1.00 0.00 O ATOM 20 OD2 ASP A 2 3.520 -12.714 -5.261 1.00 0.00 O ATOM 0 H ASP A 2 0.051 -13.326 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.593 -12.093 -5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.320 -13.237 -4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.743 -14.236 -5.521 1.00 0.00 H new ATOM 25 N GLY A 3 0.717 -10.153 -4.416 1.00 0.00 N ATOM 26 CA GLY A 3 1.244 -8.908 -3.869 1.00 0.00 C ATOM 27 C GLY A 3 2.425 -8.290 -4.609 1.00 0.00 C ATOM 28 O GLY A 3 2.330 -7.182 -5.136 1.00 0.00 O ATOM 0 H GLY A 3 0.010 -10.545 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.436 -8.177 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.544 -9.088 -2.837 1.00 0.00 H new ATOM 32 N ALA A 4 3.543 -9.019 -4.621 1.00 0.00 N ATOM 33 CA ALA A 4 4.788 -8.615 -5.264 1.00 0.00 C ATOM 34 C ALA A 4 4.531 -7.986 -6.636 1.00 0.00 C ATOM 35 O ALA A 4 5.029 -6.902 -6.930 1.00 0.00 O ATOM 36 CB ALA A 4 5.707 -9.832 -5.396 1.00 0.00 C ATOM 0 H ALA A 4 3.605 -9.932 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 4 5.270 -7.859 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.639 -9.534 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.922 -10.235 -4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.216 -10.595 -6.000 1.00 0.00 H new ATOM 42 N ALA A 5 3.729 -8.660 -7.464 1.00 0.00 N ATOM 43 CA ALA A 5 3.381 -8.206 -8.800 1.00 0.00 C ATOM 44 C ALA A 5 2.716 -6.830 -8.769 1.00 0.00 C ATOM 45 O ALA A 5 3.033 -5.976 -9.591 1.00 0.00 O ATOM 46 CB ALA A 5 2.462 -9.235 -9.462 1.00 0.00 C ATOM 0 H ALA A 5 3.299 -9.551 -7.215 1.00 0.00 H new ATOM 0 HA ALA A 5 4.297 -8.109 -9.383 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.199 -8.897 -10.464 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.976 -10.194 -9.526 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.555 -9.348 -8.868 1.00 0.00 H new ATOM 52 N LEU A 6 1.787 -6.613 -7.833 1.00 0.00 N ATOM 53 CA LEU A 6 1.098 -5.336 -7.722 1.00 0.00 C ATOM 54 C LEU A 6 2.096 -4.255 -7.312 1.00 0.00 C ATOM 55 O LEU A 6 2.138 -3.185 -7.923 1.00 0.00 O ATOM 56 CB LEU A 6 -0.049 -5.395 -6.702 1.00 0.00 C ATOM 57 CG LEU A 6 -1.122 -6.447 -7.036 1.00 0.00 C ATOM 58 CD1 LEU A 6 -1.013 -7.633 -6.078 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.533 -5.864 -6.897 1.00 0.00 C ATOM 0 H LEU A 6 1.499 -7.308 -7.144 1.00 0.00 H new ATOM 0 HA LEU A 6 0.666 -5.100 -8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.364 -5.611 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.521 -4.414 -6.642 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.955 -6.764 -8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.777 -8.371 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.027 -8.087 -6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.158 -7.288 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.269 -6.631 -7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.687 -5.524 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.648 -5.022 -7.580 1.00 0.00 H new ATOM 71 N TYR A 7 2.901 -4.555 -6.283 1.00 0.00 N ATOM 72 CA TYR A 7 3.854 -3.623 -5.695 1.00 0.00 C ATOM 73 C TYR A 7 4.696 -2.877 -6.732 1.00 0.00 C ATOM 74 O TYR A 7 4.933 -1.679 -6.573 1.00 0.00 O ATOM 75 CB TYR A 7 4.738 -4.314 -4.650 1.00 0.00 C ATOM 76 CG TYR A 7 5.576 -3.328 -3.857 1.00 0.00 C ATOM 77 CD1 TYR A 7 4.951 -2.342 -3.067 1.00 0.00 C ATOM 78 CD2 TYR A 7 6.964 -3.267 -4.066 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.700 -1.273 -2.546 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.720 -2.233 -3.491 1.00 0.00 C ATOM 81 CZ TYR A 7 7.081 -1.199 -2.787 1.00 0.00 C ATOM 82 OH TYR A 7 7.784 -0.105 -2.377 1.00 0.00 O ATOM 0 H TYR A 7 2.903 -5.470 -5.833 1.00 0.00 H new ATOM 0 HA TYR A 7 3.258 -2.863 -5.191 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.109 -4.884 -3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.395 -5.027 -5.148 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.893 -2.408 -2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.451 -4.018 -4.671 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.213 -0.508 -1.960 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.795 -2.233 -3.590 1.00 0.00 H new ATOM 0 HH TYR A 7 8.721 -0.198 -2.648 1.00 0.00 H new ATOM 92 N LYS A 8 5.131 -3.556 -7.799 1.00 0.00 N ATOM 93 CA LYS A 8 5.902 -2.988 -8.874 1.00 0.00 C ATOM 94 C LYS A 8 5.302 -1.667 -9.372 1.00 0.00 C ATOM 95 O LYS A 8 6.028 -0.736 -9.710 1.00 0.00 O ATOM 96 CB LYS A 8 5.923 -4.030 -9.989 1.00 0.00 C ATOM 97 CG LYS A 8 6.537 -5.402 -9.666 1.00 0.00 C ATOM 98 CD LYS A 8 7.968 -5.359 -9.105 1.00 0.00 C ATOM 99 CE LYS A 8 7.998 -5.467 -7.574 1.00 0.00 C ATOM 100 NZ LYS A 8 9.379 -5.529 -7.063 1.00 0.00 N ATOM 0 H LYS A 8 4.941 -4.550 -7.928 1.00 0.00 H new ATOM 0 HA LYS A 8 6.910 -2.750 -8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.897 -4.190 -10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.468 -3.608 -10.834 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.896 -5.909 -8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.537 -6.006 -10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.549 -6.174 -9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.448 -4.429 -9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.486 -4.609 -7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.453 -6.357 -7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.364 -5.754 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.905 -6.267 -7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.844 -4.610 -7.207 1.00 0.00 H new ATOM 114 N SER A 9 3.972 -1.574 -9.405 1.00 0.00 N ATOM 115 CA SER A 9 3.273 -0.371 -9.826 1.00 0.00 C ATOM 116 C SER A 9 3.518 0.766 -8.827 1.00 0.00 C ATOM 117 O SER A 9 3.804 1.903 -9.194 1.00 0.00 O ATOM 118 CB SER A 9 1.768 -0.671 -9.912 1.00 0.00 C ATOM 119 OG SER A 9 1.532 -1.992 -10.363 1.00 0.00 O ATOM 0 H SER A 9 3.351 -2.338 -9.138 1.00 0.00 H new ATOM 0 HA SER A 9 3.646 -0.061 -10.802 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.311 -0.532 -8.932 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.292 0.038 -10.590 1.00 0.00 H new ATOM 0 HG SER A 9 1.537 -2.605 -9.598 1.00 0.00 H new ATOM 125 N CYS A 10 3.396 0.429 -7.543 1.00 0.00 N ATOM 126 CA CYS A 10 3.464 1.334 -6.409 1.00 0.00 C ATOM 127 C CYS A 10 4.875 1.894 -6.271 1.00 0.00 C ATOM 128 O CYS A 10 5.041 3.065 -5.916 1.00 0.00 O ATOM 129 CB CYS A 10 3.015 0.600 -5.139 1.00 0.00 C ATOM 130 SG CYS A 10 1.645 -0.586 -5.322 1.00 0.00 S ATOM 0 H CYS A 10 3.239 -0.537 -7.257 1.00 0.00 H new ATOM 0 HA CYS A 10 2.791 2.177 -6.567 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.874 0.067 -4.732 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.723 1.346 -4.400 1.00 0.00 H new ATOM 135 N ILE A 11 5.885 1.065 -6.581 1.00 0.00 N ATOM 136 CA ILE A 11 7.287 1.480 -6.598 1.00 0.00 C ATOM 137 C ILE A 11 7.423 2.794 -7.364 1.00 0.00 C ATOM 138 O ILE A 11 8.203 3.656 -6.965 1.00 0.00 O ATOM 139 CB ILE A 11 8.198 0.394 -7.217 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.343 -0.773 -6.231 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.587 0.936 -7.602 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.243 -1.906 -6.735 1.00 0.00 C ATOM 0 H ILE A 11 5.746 0.085 -6.827 1.00 0.00 H new ATOM 0 HA ILE A 11 7.612 1.625 -5.568 1.00 0.00 H new ATOM 0 HB ILE A 11 7.725 0.053 -8.138 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.745 -0.394 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.354 -1.177 -6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.185 0.132 -8.031 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.475 1.736 -8.334 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.085 1.324 -6.714 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.294 -2.692 -5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.832 -2.314 -7.658 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.244 -1.519 -6.924 1.00 0.00 H new ATOM 154 N GLY A 12 6.651 2.950 -8.446 1.00 0.00 N ATOM 155 CA GLY A 12 6.643 4.145 -9.268 1.00 0.00 C ATOM 156 C GLY A 12 6.546 5.440 -8.458 1.00 0.00 C ATOM 157 O GLY A 12 7.070 6.458 -8.904 1.00 0.00 O ATOM 0 H GLY A 12 6.006 2.231 -8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.551 4.169 -9.870 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.803 4.095 -9.961 1.00 0.00 H new ATOM 161 N CYS A 13 5.882 5.424 -7.292 1.00 0.00 N ATOM 162 CA CYS A 13 5.718 6.618 -6.471 1.00 0.00 C ATOM 163 C CYS A 13 6.477 6.455 -5.153 1.00 0.00 C ATOM 164 O CYS A 13 7.173 7.363 -4.709 1.00 0.00 O ATOM 165 CB CYS A 13 4.218 6.794 -6.248 1.00 0.00 C ATOM 166 SG CYS A 13 3.599 8.396 -5.705 1.00 0.00 S ATOM 0 H CYS A 13 5.450 4.587 -6.900 1.00 0.00 H new ATOM 0 HA CYS A 13 6.127 7.504 -6.957 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.715 6.546 -7.183 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.905 6.053 -5.512 1.00 0.00 H new ATOM 171 N HIS A 14 6.357 5.275 -4.536 1.00 0.00 N ATOM 172 CA HIS A 14 6.929 4.948 -3.239 1.00 0.00 C ATOM 173 C HIS A 14 8.432 4.673 -3.240 1.00 0.00 C ATOM 174 O HIS A 14 9.072 4.751 -2.187 1.00 0.00 O ATOM 175 CB HIS A 14 6.220 3.688 -2.756 1.00 0.00 C ATOM 176 CG HIS A 14 4.924 3.962 -2.061 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.870 4.607 -0.839 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.621 3.771 -2.438 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.582 4.644 -0.473 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.766 4.095 -1.377 1.00 0.00 N ATOM 0 H HIS A 14 5.839 4.498 -4.946 1.00 0.00 H new ATOM 0 HA HIS A 14 6.789 5.819 -2.598 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.035 3.035 -3.609 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.880 3.147 -2.078 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.661 4.983 -0.316 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.301 3.422 -3.409 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.239 5.073 0.457 1.00 0.00 H new ATOM 188 N GLY A 15 8.986 4.310 -4.392 1.00 0.00 N ATOM 189 CA GLY A 15 10.370 3.894 -4.515 1.00 0.00 C ATOM 190 C GLY A 15 10.476 2.403 -4.199 1.00 0.00 C ATOM 191 O GLY A 15 9.504 1.774 -3.780 1.00 0.00 O ATOM 0 H GLY A 15 8.476 4.298 -5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.733 4.091 -5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.997 4.468 -3.833 1.00 0.00 H new ATOM 195 N ALA A 16 11.661 1.824 -4.415 1.00 0.00 N ATOM 196 CA ALA A 16 11.891 0.402 -4.204 1.00 0.00 C ATOM 197 C ALA A 16 11.496 -0.012 -2.786 1.00 0.00 C ATOM 198 O ALA A 16 10.464 -0.650 -2.584 1.00 0.00 O ATOM 199 CB ALA A 16 13.351 0.058 -4.520 1.00 0.00 C ATOM 0 H ALA A 16 12.483 2.332 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 16 11.258 -0.167 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.517 -1.007 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.567 0.307 -5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.009 0.630 -3.866 1.00 0.00 H new ATOM 205 N ASP A 17 12.281 0.393 -1.787 1.00 0.00 N ATOM 206 CA ASP A 17 12.056 0.057 -0.389 1.00 0.00 C ATOM 207 C ASP A 17 11.113 1.070 0.243 1.00 0.00 C ATOM 208 O ASP A 17 11.467 1.790 1.171 1.00 0.00 O ATOM 209 CB ASP A 17 13.384 -0.088 0.349 1.00 0.00 C ATOM 210 CG ASP A 17 14.195 1.203 0.450 1.00 0.00 C ATOM 211 OD1 ASP A 17 14.234 1.935 -0.565 1.00 0.00 O ATOM 212 OD2 ASP A 17 14.777 1.421 1.535 1.00 0.00 O ATOM 0 H ASP A 17 13.106 0.975 -1.934 1.00 0.00 H new ATOM 0 HA ASP A 17 11.566 -0.914 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.188 -0.459 1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.986 -0.842 -0.157 1.00 0.00 H new ATOM 217 N GLY A 18 9.922 1.108 -0.346 1.00 0.00 N ATOM 218 CA GLY A 18 8.742 1.908 -0.051 1.00 0.00 C ATOM 219 C GLY A 18 8.907 2.947 1.054 1.00 0.00 C ATOM 220 O GLY A 18 8.317 2.816 2.128 1.00 0.00 O ATOM 0 H GLY A 18 9.741 0.499 -1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.435 2.420 -0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.930 1.236 0.226 1.00 0.00 H new ATOM 224 N SER A 19 9.673 4.002 0.767 1.00 0.00 N ATOM 225 CA SER A 19 9.983 5.050 1.733 1.00 0.00 C ATOM 226 C SER A 19 9.954 6.472 1.161 1.00 0.00 C ATOM 227 O SER A 19 10.172 7.419 1.914 1.00 0.00 O ATOM 228 CB SER A 19 11.346 4.741 2.360 1.00 0.00 C ATOM 229 OG SER A 19 12.284 4.399 1.358 1.00 0.00 O ATOM 0 H SER A 19 10.097 4.151 -0.149 1.00 0.00 H new ATOM 0 HA SER A 19 9.193 5.041 2.484 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.701 5.607 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.249 3.921 3.071 1.00 0.00 H new ATOM 0 HG SER A 19 12.165 3.459 1.106 1.00 0.00 H new ATOM 235 N LYS A 20 9.684 6.662 -0.135 1.00 0.00 N ATOM 236 CA LYS A 20 9.662 8.008 -0.696 1.00 0.00 C ATOM 237 C LYS A 20 8.490 8.810 -0.123 1.00 0.00 C ATOM 238 O LYS A 20 7.331 8.426 -0.290 1.00 0.00 O ATOM 239 CB LYS A 20 9.565 7.958 -2.226 1.00 0.00 C ATOM 240 CG LYS A 20 10.767 7.289 -2.906 1.00 0.00 C ATOM 241 CD LYS A 20 12.004 8.199 -2.937 1.00 0.00 C ATOM 242 CE LYS A 20 13.189 7.510 -3.625 1.00 0.00 C ATOM 243 NZ LYS A 20 12.911 7.211 -5.042 1.00 0.00 N ATOM 0 H LYS A 20 9.482 5.915 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 20 10.594 8.503 -0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.658 7.422 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.464 8.974 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.011 6.366 -2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.497 7.013 -3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.764 9.124 -3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.281 8.473 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 20 14.069 8.149 -3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.425 6.585 -3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.794 6.937 -5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.227 6.430 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.516 8.055 -5.504 1.00 0.00 H new ATOM 257 N ALA A 21 8.783 9.944 0.525 1.00 0.00 N ATOM 258 CA ALA A 21 7.781 10.872 1.039 1.00 0.00 C ATOM 259 C ALA A 21 7.223 11.671 -0.144 1.00 0.00 C ATOM 260 O ALA A 21 7.465 12.867 -0.276 1.00 0.00 O ATOM 261 CB ALA A 21 8.422 11.778 2.096 1.00 0.00 C ATOM 0 H ALA A 21 9.741 10.243 0.708 1.00 0.00 H new ATOM 0 HA ALA A 21 6.959 10.343 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.675 12.472 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.806 11.168 2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.241 12.339 1.646 1.00 0.00 H new ATOM 267 N ALA A 22 6.522 10.962 -1.029 1.00 0.00 N ATOM 268 CA ALA A 22 5.954 11.457 -2.270 1.00 0.00 C ATOM 269 C ALA A 22 4.859 12.489 -2.022 1.00 0.00 C ATOM 270 O ALA A 22 5.100 13.693 -1.955 1.00 0.00 O ATOM 271 CB ALA A 22 5.474 10.238 -3.063 1.00 0.00 C ATOM 0 H ALA A 22 6.328 9.971 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 22 6.702 11.994 -2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.038 10.566 -4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.319 9.579 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.723 9.700 -2.484 1.00 0.00 H new ATOM 277 N MET A 23 3.631 11.998 -1.918 1.00 0.00 N ATOM 278 CA MET A 23 2.444 12.796 -1.665 1.00 0.00 C ATOM 279 C MET A 23 2.457 13.222 -0.194 1.00 0.00 C ATOM 280 O MET A 23 1.674 12.730 0.619 1.00 0.00 O ATOM 281 CB MET A 23 1.193 11.994 -2.058 1.00 0.00 C ATOM 282 CG MET A 23 1.167 11.667 -3.558 1.00 0.00 C ATOM 283 SD MET A 23 1.016 13.094 -4.664 1.00 0.00 S ATOM 284 CE MET A 23 1.596 12.354 -6.206 1.00 0.00 C ATOM 0 H MET A 23 3.430 11.002 -2.011 1.00 0.00 H new ATOM 0 HA MET A 23 2.430 13.702 -2.271 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.161 11.068 -1.484 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.301 12.562 -1.795 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.080 11.128 -3.811 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.334 10.990 -3.750 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.568 13.100 -7.000 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.618 11.999 -6.077 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.952 11.516 -6.472 1.00 0.00 H new ATOM 294 N GLY A 24 3.360 14.145 0.138 1.00 0.00 N ATOM 295 CA GLY A 24 3.550 14.642 1.488 1.00 0.00 C ATOM 296 C GLY A 24 4.330 13.631 2.327 1.00 0.00 C ATOM 297 O GLY A 24 4.821 12.622 1.816 1.00 0.00 O ATOM 0 H GLY A 24 3.989 14.572 -0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.086 15.591 1.460 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.582 14.836 1.950 1.00 0.00 H new ATOM 301 N SER A 25 4.437 13.903 3.630 1.00 0.00 N ATOM 302 CA SER A 25 5.159 13.089 4.596 1.00 0.00 C ATOM 303 C SER A 25 4.453 11.763 4.890 1.00 0.00 C ATOM 304 O SER A 25 4.036 11.511 6.018 1.00 0.00 O ATOM 305 CB SER A 25 5.340 13.910 5.873 1.00 0.00 C ATOM 306 OG SER A 25 5.771 15.217 5.536 1.00 0.00 O ATOM 0 H SER A 25 4.006 14.726 4.051 1.00 0.00 H new ATOM 0 HA SER A 25 6.129 12.823 4.176 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.401 13.956 6.425 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.070 13.431 6.526 1.00 0.00 H new ATOM 0 HG SER A 25 5.886 15.745 6.354 1.00 0.00 H new ATOM 312 N ALA A 26 4.319 10.915 3.873 1.00 0.00 N ATOM 313 CA ALA A 26 3.697 9.610 3.999 1.00 0.00 C ATOM 314 C ALA A 26 4.525 8.729 4.934 1.00 0.00 C ATOM 315 O ALA A 26 5.749 8.693 4.804 1.00 0.00 O ATOM 316 CB ALA A 26 3.611 8.968 2.611 1.00 0.00 C ATOM 0 H ALA A 26 4.645 11.122 2.929 1.00 0.00 H new ATOM 0 HA ALA A 26 2.696 9.715 4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.145 7.986 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.013 9.600 1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.614 8.861 2.197 1.00 0.00 H new ATOM 322 N LYS A 27 3.882 8.024 5.872 1.00 0.00 N ATOM 323 CA LYS A 27 4.578 7.065 6.721 1.00 0.00 C ATOM 324 C LYS A 27 5.291 6.080 5.798 1.00 0.00 C ATOM 325 O LYS A 27 4.628 5.511 4.927 1.00 0.00 O ATOM 326 CB LYS A 27 3.601 6.245 7.577 1.00 0.00 C ATOM 327 CG LYS A 27 2.823 7.095 8.582 1.00 0.00 C ATOM 328 CD LYS A 27 1.607 6.312 9.094 1.00 0.00 C ATOM 329 CE LYS A 27 0.692 7.171 9.971 1.00 0.00 C ATOM 330 NZ LYS A 27 0.042 8.238 9.188 1.00 0.00 N ATOM 0 H LYS A 27 2.882 8.103 6.058 1.00 0.00 H new ATOM 0 HA LYS A 27 5.254 7.610 7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.897 5.732 6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.156 5.476 8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.468 7.369 9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.498 8.023 8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.040 5.930 8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.948 5.448 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.069 6.541 10.432 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.272 7.614 10.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.800 8.578 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.708 9.026 9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.241 7.864 8.260 1.00 0.00 H new ATOM 344 N PRO A 28 6.607 5.869 5.938 1.00 0.00 N ATOM 345 CA PRO A 28 7.285 4.886 5.127 1.00 0.00 C ATOM 346 C PRO A 28 6.568 3.548 5.245 1.00 0.00 C ATOM 347 O PRO A 28 6.153 3.145 6.331 1.00 0.00 O ATOM 348 CB PRO A 28 8.720 4.827 5.658 1.00 0.00 C ATOM 349 CG PRO A 28 8.928 6.234 6.220 1.00 0.00 C ATOM 350 CD PRO A 28 7.548 6.586 6.780 1.00 0.00 C ATOM 0 HA PRO A 28 7.289 5.140 4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.836 4.063 6.426 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.435 4.597 4.868 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.695 6.250 6.995 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.241 6.936 5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.456 6.282 7.823 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.370 7.661 6.744 1.00 0.00 H new ATOM 358 N VAL A 29 6.376 2.892 4.108 1.00 0.00 N ATOM 359 CA VAL A 29 5.684 1.623 4.017 1.00 0.00 C ATOM 360 C VAL A 29 6.648 0.535 4.477 1.00 0.00 C ATOM 361 O VAL A 29 6.260 -0.389 5.190 1.00 0.00 O ATOM 362 CB VAL A 29 5.278 1.424 2.550 1.00 0.00 C ATOM 363 CG1 VAL A 29 4.325 0.243 2.416 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.598 2.674 1.978 1.00 0.00 C ATOM 0 H VAL A 29 6.706 3.239 3.207 1.00 0.00 H new ATOM 0 HA VAL A 29 4.791 1.588 4.641 1.00 0.00 H new ATOM 0 HB VAL A 29 6.192 1.231 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.047 0.116 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.815 -0.663 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.429 0.429 3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.325 2.496 0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.701 2.897 2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.284 3.519 2.033 1.00 0.00 H new ATOM 374 N LYS A 30 7.903 0.681 4.040 1.00 0.00 N ATOM 375 CA LYS A 30 9.058 -0.142 4.351 1.00 0.00 C ATOM 376 C LYS A 30 8.945 -0.776 5.740 1.00 0.00 C ATOM 377 O LYS A 30 9.290 -0.157 6.746 1.00 0.00 O ATOM 378 CB LYS A 30 10.282 0.775 4.253 1.00 0.00 C ATOM 379 CG LYS A 30 11.601 0.015 4.409 1.00 0.00 C ATOM 380 CD LYS A 30 12.795 0.973 4.477 1.00 0.00 C ATOM 381 CE LYS A 30 14.086 0.201 4.775 1.00 0.00 C ATOM 382 NZ LYS A 30 14.433 -0.740 3.695 1.00 0.00 N ATOM 0 H LYS A 30 8.149 1.443 3.408 1.00 0.00 H new ATOM 0 HA LYS A 30 9.136 -0.975 3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.273 1.285 3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.217 1.545 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.568 -0.592 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.729 -0.670 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.894 1.508 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.625 1.721 5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.905 0.906 4.917 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.972 -0.348 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.303 -1.252 3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.657 -1.420 3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.585 -0.213 2.811 1.00 0.00 H new ATOM 396 N GLY A 31 8.421 -1.999 5.794 1.00 0.00 N ATOM 397 CA GLY A 31 8.319 -2.759 7.016 1.00 0.00 C ATOM 398 C GLY A 31 7.566 -2.116 8.180 1.00 0.00 C ATOM 399 O GLY A 31 8.026 -2.264 9.310 1.00 0.00 O ATOM 0 H GLY A 31 8.054 -2.486 4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.835 -3.708 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.329 -2.991 7.354 1.00 0.00 H new ATOM 403 N GLN A 32 6.418 -1.448 7.965 1.00 0.00 N ATOM 404 CA GLN A 32 5.628 -0.981 9.127 1.00 0.00 C ATOM 405 C GLN A 32 5.349 -2.184 10.029 1.00 0.00 C ATOM 406 O GLN A 32 5.621 -2.206 11.226 1.00 0.00 O ATOM 407 CB GLN A 32 4.291 -0.302 8.767 1.00 0.00 C ATOM 408 CG GLN A 32 4.422 0.697 7.626 1.00 0.00 C ATOM 409 CD GLN A 32 3.210 1.608 7.461 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.094 1.227 7.801 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.421 2.802 6.911 1.00 0.00 N ATOM 0 H GLN A 32 6.028 -1.226 7.049 1.00 0.00 H new ATOM 0 HA GLN A 32 6.225 -0.215 9.623 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.564 -1.066 8.492 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.900 0.209 9.647 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.306 1.312 7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.584 0.152 6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.365 3.080 6.643 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.639 3.439 6.758 1.00 0.00 H new ATOM 420 N GLY A 33 4.787 -3.185 9.366 1.00 0.00 N ATOM 421 CA GLY A 33 4.491 -4.516 9.881 1.00 0.00 C ATOM 422 C GLY A 33 3.367 -5.148 9.069 1.00 0.00 C ATOM 423 O GLY A 33 2.404 -4.459 8.768 1.00 0.00 O ATOM 0 H GLY A 33 4.507 -3.083 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.383 -5.141 9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.203 -4.454 10.930 1.00 0.00 H new ATOM 427 N ALA A 34 3.458 -6.427 8.694 1.00 0.00 N ATOM 428 CA ALA A 34 2.442 -7.115 7.894 1.00 0.00 C ATOM 429 C ALA A 34 1.017 -6.836 8.369 1.00 0.00 C ATOM 430 O ALA A 34 0.142 -6.600 7.545 1.00 0.00 O ATOM 431 CB ALA A 34 2.708 -8.622 7.843 1.00 0.00 C ATOM 0 H ALA A 34 4.250 -7.021 8.941 1.00 0.00 H new ATOM 0 HA ALA A 34 2.522 -6.709 6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.938 -9.107 7.243 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.685 -8.804 7.396 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.690 -9.029 8.854 1.00 0.00 H new ATOM 437 N GLU A 35 0.773 -6.842 9.680 1.00 0.00 N ATOM 438 CA GLU A 35 -0.524 -6.575 10.246 1.00 0.00 C ATOM 439 C GLU A 35 -0.956 -5.138 9.933 1.00 0.00 C ATOM 440 O GLU A 35 -2.052 -4.909 9.423 1.00 0.00 O ATOM 441 CB GLU A 35 -0.411 -6.829 11.752 1.00 0.00 C ATOM 442 CG GLU A 35 0.146 -8.217 12.116 1.00 0.00 C ATOM 443 CD GLU A 35 -0.555 -9.344 11.361 1.00 0.00 C ATOM 444 OE1 GLU A 35 -1.738 -9.589 11.679 1.00 0.00 O ATOM 445 OE2 GLU A 35 0.104 -9.928 10.474 1.00 0.00 O ATOM 0 H GLU A 35 1.490 -7.037 10.378 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.290 -7.223 9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.231 -6.065 12.191 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.396 -6.715 12.204 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.213 -8.246 11.897 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.037 -8.379 13.188 1.00 0.00 H new ATOM 452 N GLU A 36 -0.068 -4.182 10.230 1.00 0.00 N ATOM 453 CA GLU A 36 -0.276 -2.763 9.984 1.00 0.00 C ATOM 454 C GLU A 36 -0.607 -2.568 8.508 1.00 0.00 C ATOM 455 O GLU A 36 -1.664 -2.059 8.147 1.00 0.00 O ATOM 456 CB GLU A 36 1.012 -1.999 10.351 1.00 0.00 C ATOM 457 CG GLU A 36 1.274 -1.949 11.860 1.00 0.00 C ATOM 458 CD GLU A 36 0.310 -1.010 12.577 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.576 0.212 12.537 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.679 -1.527 13.138 1.00 0.00 O ATOM 0 H GLU A 36 0.835 -4.386 10.658 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.099 -2.383 10.590 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.861 -2.472 9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.945 -0.981 9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.181 -2.952 12.277 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.298 -1.623 12.039 1.00 0.00 H new ATOM 467 N LEU A 37 0.322 -3.008 7.666 1.00 0.00 N ATOM 468 CA LEU A 37 0.250 -2.912 6.225 1.00 0.00 C ATOM 469 C LEU A 37 -1.032 -3.548 5.704 1.00 0.00 C ATOM 470 O LEU A 37 -1.719 -2.941 4.894 1.00 0.00 O ATOM 471 CB LEU A 37 1.488 -3.588 5.625 1.00 0.00 C ATOM 472 CG LEU A 37 2.780 -2.791 5.874 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.998 -3.702 5.711 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.888 -1.630 4.888 1.00 0.00 C ATOM 0 H LEU A 37 1.178 -3.459 7.989 1.00 0.00 H new ATOM 0 HA LEU A 37 0.232 -1.864 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.594 -4.586 6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.344 -3.713 4.552 1.00 0.00 H new ATOM 0 HG LEU A 37 2.750 -2.398 6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.908 -3.129 5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.939 -4.521 6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.017 -4.107 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.807 -1.076 5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.901 -2.018 3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.032 -0.966 5.012 1.00 0.00 H new ATOM 486 N TYR A 38 -1.364 -4.760 6.148 1.00 0.00 N ATOM 487 CA TYR A 38 -2.570 -5.444 5.713 1.00 0.00 C ATOM 488 C TYR A 38 -3.803 -4.621 6.048 1.00 0.00 C ATOM 489 O TYR A 38 -4.633 -4.369 5.180 1.00 0.00 O ATOM 490 CB TYR A 38 -2.656 -6.853 6.312 1.00 0.00 C ATOM 491 CG TYR A 38 -3.955 -7.574 6.000 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.378 -7.731 4.665 1.00 0.00 C ATOM 493 CD2 TYR A 38 -4.788 -8.005 7.050 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.626 -8.314 4.383 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.026 -8.604 6.765 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.442 -8.765 5.434 1.00 0.00 C ATOM 497 OH TYR A 38 -7.656 -9.329 5.177 1.00 0.00 O ATOM 0 H TYR A 38 -0.804 -5.289 6.816 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.525 -5.555 4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.823 -7.448 5.938 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.540 -6.785 7.394 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.742 -7.403 3.856 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.475 -7.875 8.075 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.957 -8.415 3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.660 -8.942 7.572 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.680 -9.645 4.250 1.00 0.00 H new ATOM 507 N LYS A 39 -3.922 -4.198 7.302 1.00 0.00 N ATOM 508 CA LYS A 39 -5.084 -3.451 7.749 1.00 0.00 C ATOM 509 C LYS A 39 -5.231 -2.142 6.988 1.00 0.00 C ATOM 510 O LYS A 39 -6.302 -1.830 6.482 1.00 0.00 O ATOM 511 CB LYS A 39 -4.943 -3.174 9.251 1.00 0.00 C ATOM 512 CG LYS A 39 -6.232 -2.686 9.929 1.00 0.00 C ATOM 513 CD LYS A 39 -7.310 -3.779 9.989 1.00 0.00 C ATOM 514 CE LYS A 39 -8.572 -3.294 10.714 1.00 0.00 C ATOM 515 NZ LYS A 39 -8.316 -2.979 12.131 1.00 0.00 N ATOM 0 H LYS A 39 -3.223 -4.362 8.027 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.979 -4.043 7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.609 -4.085 9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.164 -2.427 9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.003 -2.349 10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.621 -1.824 9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.569 -4.090 8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.911 -4.655 10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.959 -2.408 10.211 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.344 -4.061 10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.221 -2.837 12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.800 -3.766 12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.746 -2.111 12.196 1.00 0.00 H new ATOM 529 N LYS A 40 -4.161 -1.358 6.932 1.00 0.00 N ATOM 530 CA LYS A 40 -4.138 -0.073 6.274 1.00 0.00 C ATOM 531 C LYS A 40 -4.348 -0.230 4.764 1.00 0.00 C ATOM 532 O LYS A 40 -5.082 0.554 4.165 1.00 0.00 O ATOM 533 CB LYS A 40 -2.770 0.521 6.603 1.00 0.00 C ATOM 534 CG LYS A 40 -2.646 0.883 8.092 1.00 0.00 C ATOM 535 CD LYS A 40 -1.219 1.355 8.382 1.00 0.00 C ATOM 536 CE LYS A 40 -0.962 1.484 9.883 1.00 0.00 C ATOM 537 NZ LYS A 40 0.419 1.933 10.135 1.00 0.00 N ATOM 0 H LYS A 40 -3.268 -1.611 7.355 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.942 0.580 6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.991 -0.193 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.606 1.412 5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.359 1.666 8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.887 0.018 8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.508 0.651 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.048 2.317 7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.666 2.193 10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.133 0.524 10.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.783 1.471 10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.019 1.681 9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.430 2.965 10.266 1.00 0.00 H new ATOM 551 N MET A 41 -3.732 -1.235 4.132 1.00 0.00 N ATOM 552 CA MET A 41 -3.909 -1.445 2.704 1.00 0.00 C ATOM 553 C MET A 41 -5.352 -1.884 2.424 1.00 0.00 C ATOM 554 O MET A 41 -5.980 -1.358 1.509 1.00 0.00 O ATOM 555 CB MET A 41 -2.776 -2.288 2.088 1.00 0.00 C ATOM 556 CG MET A 41 -2.816 -3.819 2.144 1.00 0.00 C ATOM 557 SD MET A 41 -3.677 -4.442 0.719 1.00 0.00 S ATOM 558 CE MET A 41 -2.555 -3.933 -0.598 1.00 0.00 C ATOM 0 H MET A 41 -3.114 -1.906 4.588 1.00 0.00 H new ATOM 0 HA MET A 41 -3.795 -0.507 2.160 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.704 -2.008 1.037 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.848 -1.974 2.566 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.802 -4.219 2.173 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.315 -4.147 3.056 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.539 -4.695 -1.377 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.895 -2.988 -1.021 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.551 -3.808 -0.193 1.00 0.00 H new ATOM 568 N LYS A 42 -5.914 -2.779 3.246 1.00 0.00 N ATOM 569 CA LYS A 42 -7.337 -3.112 3.208 1.00 0.00 C ATOM 570 C LYS A 42 -8.155 -1.834 3.414 1.00 0.00 C ATOM 571 O LYS A 42 -9.178 -1.621 2.769 1.00 0.00 O ATOM 572 CB LYS A 42 -7.667 -4.158 4.285 1.00 0.00 C ATOM 573 CG LYS A 42 -9.044 -4.786 4.029 1.00 0.00 C ATOM 574 CD LYS A 42 -9.198 -6.156 4.700 1.00 0.00 C ATOM 575 CE LYS A 42 -8.964 -6.105 6.213 1.00 0.00 C ATOM 576 NZ LYS A 42 -9.266 -7.407 6.834 1.00 0.00 N ATOM 0 H LYS A 42 -5.391 -3.292 3.956 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.590 -3.542 2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.903 -4.935 4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.653 -3.690 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.820 -4.115 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.198 -4.892 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.199 -6.541 4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.494 -6.857 4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.929 -5.832 6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.591 -5.331 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.005 -7.381 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.283 -7.606 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.724 -8.154 6.355 1.00 0.00 H new ATOM 590 N GLY A 43 -7.678 -0.984 4.322 1.00 0.00 N ATOM 591 CA GLY A 43 -8.185 0.337 4.622 1.00 0.00 C ATOM 592 C GLY A 43 -8.427 1.092 3.322 1.00 0.00 C ATOM 593 O GLY A 43 -9.553 1.463 2.993 1.00 0.00 O ATOM 0 H GLY A 43 -6.874 -1.224 4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.112 0.263 5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.473 0.880 5.244 1.00 0.00 H new ATOM 597 N TYR A 44 -7.331 1.309 2.596 1.00 0.00 N ATOM 598 CA TYR A 44 -7.334 1.987 1.308 1.00 0.00 C ATOM 599 C TYR A 44 -8.213 1.228 0.304 1.00 0.00 C ATOM 600 O TYR A 44 -8.954 1.849 -0.452 1.00 0.00 O ATOM 601 CB TYR A 44 -5.892 2.172 0.802 1.00 0.00 C ATOM 602 CG TYR A 44 -5.006 3.108 1.611 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.485 4.370 2.007 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.660 2.774 1.866 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.689 5.207 2.805 1.00 0.00 C ATOM 606 CE2 TYR A 44 -2.831 3.668 2.569 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.358 4.864 3.075 1.00 0.00 C ATOM 608 OH TYR A 44 -2.587 5.708 3.816 1.00 0.00 O ATOM 0 H TYR A 44 -6.402 1.012 2.895 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.767 2.981 1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.414 1.193 0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.934 2.542 -0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.467 4.696 1.697 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.264 1.830 1.521 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.104 6.117 3.212 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.788 3.432 2.719 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.113 5.198 4.506 1.00 0.00 H new ATOM 618 N ALA A 45 -8.158 -0.108 0.304 1.00 0.00 N ATOM 619 CA ALA A 45 -8.972 -0.940 -0.576 1.00 0.00 C ATOM 620 C ALA A 45 -10.457 -0.651 -0.376 1.00 0.00 C ATOM 621 O ALA A 45 -11.209 -0.578 -1.343 1.00 0.00 O ATOM 622 CB ALA A 45 -8.687 -2.426 -0.343 1.00 0.00 C ATOM 0 H ALA A 45 -7.543 -0.641 0.919 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.706 -0.695 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.306 -3.024 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.635 -2.630 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.916 -2.683 0.691 1.00 0.00 H new ATOM 628 N ASP A 46 -10.882 -0.501 0.882 1.00 0.00 N ATOM 629 CA ASP A 46 -12.263 -0.191 1.206 1.00 0.00 C ATOM 630 C ASP A 46 -12.545 1.270 0.853 1.00 0.00 C ATOM 631 O ASP A 46 -13.566 1.582 0.246 1.00 0.00 O ATOM 632 CB ASP A 46 -12.509 -0.480 2.689 1.00 0.00 C ATOM 633 CG ASP A 46 -13.918 -0.073 3.098 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.854 -0.830 2.764 1.00 0.00 O ATOM 635 OD2 ASP A 46 -14.025 0.993 3.743 1.00 0.00 O ATOM 0 H ASP A 46 -10.275 -0.592 1.696 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.945 -0.813 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.362 -1.542 2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.781 0.060 3.294 1.00 0.00 H new ATOM 640 N GLY A 47 -11.626 2.160 1.232 1.00 0.00 N ATOM 641 CA GLY A 47 -11.710 3.592 0.987 1.00 0.00 C ATOM 642 C GLY A 47 -11.987 4.380 2.265 1.00 0.00 C ATOM 643 O GLY A 47 -11.975 5.607 2.238 1.00 0.00 O ATOM 0 H GLY A 47 -10.779 1.891 1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.776 3.938 0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.500 3.789 0.262 1.00 0.00 H new ATOM 647 N SER A 48 -12.231 3.695 3.386 1.00 0.00 N ATOM 648 CA SER A 48 -12.484 4.337 4.667 1.00 0.00 C ATOM 649 C SER A 48 -11.193 4.965 5.185 1.00 0.00 C ATOM 650 O SER A 48 -11.134 6.153 5.491 1.00 0.00 O ATOM 651 CB SER A 48 -13.004 3.284 5.649 1.00 0.00 C ATOM 652 OG SER A 48 -12.271 2.082 5.485 1.00 0.00 O ATOM 0 H SER A 48 -12.257 2.676 3.424 1.00 0.00 H new ATOM 0 HA SER A 48 -13.230 5.124 4.557 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.906 3.646 6.672 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.065 3.102 5.476 1.00 0.00 H new ATOM 0 HG SER A 48 -12.751 1.487 4.872 1.00 0.00 H new ATOM 658 N TYR A 49 -10.158 4.134 5.308 1.00 0.00 N ATOM 659 CA TYR A 49 -8.851 4.558 5.775 1.00 0.00 C ATOM 660 C TYR A 49 -8.281 5.613 4.818 1.00 0.00 C ATOM 661 O TYR A 49 -7.884 5.282 3.702 1.00 0.00 O ATOM 662 CB TYR A 49 -7.914 3.347 5.824 1.00 0.00 C ATOM 663 CG TYR A 49 -6.544 3.643 6.365 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.384 4.024 7.706 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.421 3.445 5.550 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.100 4.285 8.206 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.142 3.698 6.053 1.00 0.00 C ATOM 668 CZ TYR A 49 -3.980 4.176 7.365 1.00 0.00 C ATOM 669 OH TYR A 49 -2.744 4.476 7.849 1.00 0.00 O ATOM 0 H TYR A 49 -10.210 3.141 5.083 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.941 4.989 6.772 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.374 2.572 6.437 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.814 2.940 4.818 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.246 4.116 8.350 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.544 3.097 4.535 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.972 4.570 9.240 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.275 3.526 5.432 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.090 4.444 7.119 1.00 0.00 H new ATOM 679 N GLY A 50 -8.225 6.881 5.229 1.00 0.00 N ATOM 680 CA GLY A 50 -7.662 7.937 4.402 1.00 0.00 C ATOM 681 C GLY A 50 -8.610 8.346 3.282 1.00 0.00 C ATOM 682 O GLY A 50 -9.255 9.391 3.323 1.00 0.00 O ATOM 0 H GLY A 50 -8.566 7.198 6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.438 8.804 5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.718 7.599 3.974 1.00 0.00 H new ATOM 686 N GLY A 51 -8.628 7.504 2.260 1.00 0.00 N ATOM 687 CA GLY A 51 -9.486 7.574 1.087 1.00 0.00 C ATOM 688 C GLY A 51 -9.221 8.758 0.152 1.00 0.00 C ATOM 689 O GLY A 51 -8.829 8.545 -0.996 1.00 0.00 O ATOM 0 H GLY A 51 -8.002 6.700 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.373 6.651 0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.523 7.619 1.418 1.00 0.00 H new ATOM 693 N GLU A 52 -9.453 9.981 0.649 1.00 0.00 N ATOM 694 CA GLU A 52 -9.426 11.254 -0.070 1.00 0.00 C ATOM 695 C GLU A 52 -8.156 11.480 -0.903 1.00 0.00 C ATOM 696 O GLU A 52 -8.098 11.069 -2.055 1.00 0.00 O ATOM 697 CB GLU A 52 -9.715 12.389 0.928 1.00 0.00 C ATOM 698 CG GLU A 52 -9.923 13.747 0.241 1.00 0.00 C ATOM 699 CD GLU A 52 -10.140 14.851 1.271 1.00 0.00 C ATOM 700 OE1 GLU A 52 -9.126 15.256 1.880 1.00 0.00 O ATOM 701 OE2 GLU A 52 -11.310 15.256 1.438 1.00 0.00 O ATOM 0 H GLU A 52 -9.680 10.111 1.635 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.211 11.236 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.604 12.140 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.887 12.467 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.055 13.984 -0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.783 13.693 -0.427 1.00 0.00 H new ATOM 708 N ARG A 53 -7.128 12.141 -0.356 1.00 0.00 N ATOM 709 CA ARG A 53 -5.894 12.433 -1.078 1.00 0.00 C ATOM 710 C ARG A 53 -5.206 11.160 -1.586 1.00 0.00 C ATOM 711 O ARG A 53 -4.433 11.182 -2.540 1.00 0.00 O ATOM 712 CB ARG A 53 -4.996 13.263 -0.156 1.00 0.00 C ATOM 713 CG ARG A 53 -4.332 12.452 0.967 1.00 0.00 C ATOM 714 CD ARG A 53 -3.613 13.399 1.938 1.00 0.00 C ATOM 715 NE ARG A 53 -2.459 12.757 2.586 1.00 0.00 N ATOM 716 CZ ARG A 53 -1.258 12.629 2.002 1.00 0.00 C ATOM 717 NH1 ARG A 53 -1.097 12.915 0.708 1.00 0.00 N ATOM 718 NH2 ARG A 53 -0.194 12.223 2.700 1.00 0.00 N ATOM 0 H ARG A 53 -7.134 12.487 0.603 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.116 13.007 -1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.219 13.739 -0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.589 14.062 0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.083 11.871 1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.621 11.742 0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.278 14.285 1.398 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.315 13.737 2.701 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.578 12.389 3.530 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.891 13.234 0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.180 12.814 0.274 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.288 12.005 3.692 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.712 12.131 2.241 1.00 0.00 H new ATOM 732 N LYS A 54 -5.502 10.054 -0.908 1.00 0.00 N ATOM 733 CA LYS A 54 -5.049 8.707 -1.183 1.00 0.00 C ATOM 734 C LYS A 54 -5.595 8.228 -2.537 1.00 0.00 C ATOM 735 O LYS A 54 -4.985 7.356 -3.140 1.00 0.00 O ATOM 736 CB LYS A 54 -5.514 7.831 -0.017 1.00 0.00 C ATOM 737 CG LYS A 54 -5.192 8.443 1.358 1.00 0.00 C ATOM 738 CD LYS A 54 -3.689 8.650 1.604 1.00 0.00 C ATOM 739 CE LYS A 54 -3.408 9.296 2.968 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.700 8.384 4.088 1.00 0.00 N ATOM 0 H LYS A 54 -6.112 10.087 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.963 8.655 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.589 7.672 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.040 6.852 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.702 9.402 1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.593 7.795 2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.178 7.689 1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.277 9.278 0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.363 9.602 3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.010 10.199 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.281 8.762 4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.730 8.299 4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.296 7.447 3.887 1.00 0.00 H new ATOM 754 N ALA A 55 -6.715 8.795 -3.012 1.00 0.00 N ATOM 755 CA ALA A 55 -7.436 8.497 -4.254 1.00 0.00 C ATOM 756 C ALA A 55 -6.724 7.583 -5.254 1.00 0.00 C ATOM 757 O ALA A 55 -7.221 6.497 -5.540 1.00 0.00 O ATOM 758 CB ALA A 55 -7.860 9.798 -4.945 1.00 0.00 C ATOM 0 H ALA A 55 -7.178 9.539 -2.489 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.300 7.919 -3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.394 9.564 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.512 10.366 -4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.976 10.390 -5.180 1.00 0.00 H new ATOM 764 N MET A 56 -5.599 8.030 -5.820 1.00 0.00 N ATOM 765 CA MET A 56 -4.815 7.258 -6.780 1.00 0.00 C ATOM 766 C MET A 56 -4.558 5.835 -6.260 1.00 0.00 C ATOM 767 O MET A 56 -4.869 4.838 -6.913 1.00 0.00 O ATOM 768 CB MET A 56 -3.521 8.030 -7.105 1.00 0.00 C ATOM 769 CG MET A 56 -2.570 8.234 -5.910 1.00 0.00 C ATOM 770 SD MET A 56 -1.291 9.498 -6.125 1.00 0.00 S ATOM 771 CE MET A 56 -2.262 10.990 -5.810 1.00 0.00 C ATOM 0 H MET A 56 -5.205 8.949 -5.620 1.00 0.00 H new ATOM 0 HA MET A 56 -5.371 7.135 -7.709 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.985 7.497 -7.890 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.789 9.007 -7.508 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.167 8.493 -5.036 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.082 7.284 -5.692 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.622 11.867 -5.903 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.074 11.055 -6.534 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.677 10.948 -4.803 1.00 0.00 H new ATOM 781 N MET A 57 -4.018 5.764 -5.046 1.00 0.00 N ATOM 782 CA MET A 57 -3.735 4.547 -4.325 1.00 0.00 C ATOM 783 C MET A 57 -5.055 3.848 -4.040 1.00 0.00 C ATOM 784 O MET A 57 -5.190 2.676 -4.373 1.00 0.00 O ATOM 785 CB MET A 57 -2.998 4.903 -3.030 1.00 0.00 C ATOM 786 CG MET A 57 -2.651 3.677 -2.186 1.00 0.00 C ATOM 787 SD MET A 57 -1.572 4.064 -0.789 1.00 0.00 S ATOM 788 CE MET A 57 -2.350 5.515 -0.055 1.00 0.00 C ATOM 0 H MET A 57 -3.757 6.599 -4.522 1.00 0.00 H new ATOM 0 HA MET A 57 -3.101 3.877 -4.905 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.082 5.440 -3.275 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.616 5.580 -2.441 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.571 3.227 -1.813 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.165 2.933 -2.818 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.824 5.786 0.861 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.306 6.347 -0.758 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.391 5.291 0.177 1.00 0.00 H new ATOM 798 N THR A 58 -6.018 4.566 -3.444 1.00 0.00 N ATOM 799 CA THR A 58 -7.325 4.030 -3.085 1.00 0.00 C ATOM 800 C THR A 58 -7.904 3.201 -4.238 1.00 0.00 C ATOM 801 O THR A 58 -8.184 2.014 -4.084 1.00 0.00 O ATOM 802 CB THR A 58 -8.259 5.186 -2.678 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.549 6.128 -1.897 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.441 4.687 -1.850 1.00 0.00 C ATOM 0 H THR A 58 -5.902 5.549 -3.197 1.00 0.00 H new ATOM 0 HA THR A 58 -7.224 3.359 -2.232 1.00 0.00 H new ATOM 0 HB THR A 58 -8.629 5.641 -3.597 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.135 6.884 -1.683 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.078 5.529 -1.581 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.017 3.969 -2.434 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.073 4.206 -0.944 1.00 0.00 H new ATOM 812 N ASN A 59 -8.044 3.820 -5.412 1.00 0.00 N ATOM 813 CA ASN A 59 -8.571 3.171 -6.602 1.00 0.00 C ATOM 814 C ASN A 59 -7.692 1.989 -6.994 1.00 0.00 C ATOM 815 O ASN A 59 -8.225 0.924 -7.308 1.00 0.00 O ATOM 816 CB ASN A 59 -8.663 4.186 -7.749 1.00 0.00 C ATOM 817 CG ASN A 59 -9.398 3.696 -9.004 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.769 4.514 -9.837 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.639 2.399 -9.196 1.00 0.00 N ATOM 0 H ASN A 59 -7.790 4.797 -5.559 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.571 2.793 -6.390 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.165 5.081 -7.381 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.653 4.481 -8.032 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.131 2.090 -10.035 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.331 1.715 -8.504 1.00 0.00 H new ATOM 826 N ALA A 60 -6.368 2.172 -7.016 1.00 0.00 N ATOM 827 CA ALA A 60 -5.462 1.106 -7.411 1.00 0.00 C ATOM 828 C ALA A 60 -5.672 -0.134 -6.539 1.00 0.00 C ATOM 829 O ALA A 60 -5.983 -1.208 -7.051 1.00 0.00 O ATOM 830 CB ALA A 60 -4.015 1.605 -7.375 1.00 0.00 C ATOM 0 H ALA A 60 -5.908 3.047 -6.765 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.681 0.811 -8.437 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.345 0.799 -7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.902 2.443 -8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.767 1.929 -6.364 1.00 0.00 H new ATOM 836 N VAL A 61 -5.539 0.005 -5.218 1.00 0.00 N ATOM 837 CA VAL A 61 -5.706 -1.135 -4.329 1.00 0.00 C ATOM 838 C VAL A 61 -7.148 -1.660 -4.351 1.00 0.00 C ATOM 839 O VAL A 61 -7.347 -2.869 -4.250 1.00 0.00 O ATOM 840 CB VAL A 61 -5.171 -0.836 -2.918 1.00 0.00 C ATOM 841 CG1 VAL A 61 -5.886 0.317 -2.211 1.00 0.00 C ATOM 842 CG2 VAL A 61 -5.249 -2.101 -2.058 1.00 0.00 C ATOM 0 H VAL A 61 -5.319 0.884 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.092 -1.953 -4.705 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.136 -0.517 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.450 0.464 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.773 1.229 -2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.945 0.080 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.869 -1.886 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.286 -2.431 -1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.648 -2.888 -2.513 1.00 0.00 H new ATOM 852 N LYS A 62 -8.158 -0.796 -4.516 1.00 0.00 N ATOM 853 CA LYS A 62 -9.551 -1.230 -4.577 1.00 0.00 C ATOM 854 C LYS A 62 -9.764 -2.257 -5.700 1.00 0.00 C ATOM 855 O LYS A 62 -10.686 -3.065 -5.620 1.00 0.00 O ATOM 856 CB LYS A 62 -10.477 -0.009 -4.709 1.00 0.00 C ATOM 857 CG LYS A 62 -11.969 -0.378 -4.686 1.00 0.00 C ATOM 858 CD LYS A 62 -12.885 0.857 -4.723 1.00 0.00 C ATOM 859 CE LYS A 62 -13.363 1.313 -3.335 1.00 0.00 C ATOM 860 NZ LYS A 62 -12.266 1.791 -2.478 1.00 0.00 N ATOM 0 H LYS A 62 -8.030 0.212 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.807 -1.737 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.269 0.687 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.252 0.511 -5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.194 -1.018 -5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.182 -0.957 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.353 1.679 -5.203 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.754 0.635 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.098 2.109 -3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.868 0.484 -2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.658 2.343 -1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.738 0.977 -2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.626 2.392 -3.036 1.00 0.00 H new ATOM 874 N LYS A 63 -8.929 -2.243 -6.746 1.00 0.00 N ATOM 875 CA LYS A 63 -9.030 -3.186 -7.842 1.00 0.00 C ATOM 876 C LYS A 63 -8.441 -4.567 -7.495 1.00 0.00 C ATOM 877 O LYS A 63 -8.633 -5.512 -8.257 1.00 0.00 O ATOM 878 CB LYS A 63 -8.374 -2.556 -9.080 1.00 0.00 C ATOM 879 CG LYS A 63 -9.411 -2.125 -10.125 1.00 0.00 C ATOM 880 CD LYS A 63 -10.355 -1.054 -9.559 1.00 0.00 C ATOM 881 CE LYS A 63 -11.270 -0.499 -10.656 1.00 0.00 C ATOM 882 NZ LYS A 63 -12.262 0.440 -10.103 1.00 0.00 N ATOM 0 H LYS A 63 -8.167 -1.573 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.081 -3.383 -8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.784 -1.691 -8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.684 -3.271 -9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.903 -1.736 -11.007 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.990 -2.991 -10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.958 -1.481 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.772 -0.244 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.669 0.007 -11.412 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.783 -1.321 -11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.668 1.009 -10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.019 -0.094 -9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.800 1.068 -9.415 1.00 0.00 H new ATOM 896 N ALA A 64 -7.715 -4.697 -6.378 1.00 0.00 N ATOM 897 CA ALA A 64 -7.107 -5.945 -5.930 1.00 0.00 C ATOM 898 C ALA A 64 -8.066 -6.700 -4.997 1.00 0.00 C ATOM 899 O ALA A 64 -9.102 -6.167 -4.606 1.00 0.00 O ATOM 900 CB ALA A 64 -5.777 -5.613 -5.251 1.00 0.00 C ATOM 0 H ALA A 64 -7.533 -3.915 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.912 -6.605 -6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.304 -6.533 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.121 -5.111 -5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.957 -4.958 -4.399 1.00 0.00 H new ATOM 906 N SER A 65 -7.728 -7.944 -4.638 1.00 0.00 N ATOM 907 CA SER A 65 -8.549 -8.808 -3.790 1.00 0.00 C ATOM 908 C SER A 65 -7.782 -9.221 -2.529 1.00 0.00 C ATOM 909 O SER A 65 -6.572 -9.026 -2.453 1.00 0.00 O ATOM 910 CB SER A 65 -9.008 -10.017 -4.613 1.00 0.00 C ATOM 911 OG SER A 65 -7.891 -10.676 -5.178 1.00 0.00 O ATOM 0 H SER A 65 -6.858 -8.385 -4.936 1.00 0.00 H new ATOM 0 HA SER A 65 -9.432 -8.267 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.564 -10.707 -3.979 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.686 -9.692 -5.403 1.00 0.00 H new ATOM 0 HG SER A 65 -8.196 -11.447 -5.700 1.00 0.00 H new ATOM 917 N ASP A 66 -8.477 -9.798 -1.540 1.00 0.00 N ATOM 918 CA ASP A 66 -7.903 -10.170 -0.246 1.00 0.00 C ATOM 919 C ASP A 66 -6.553 -10.887 -0.351 1.00 0.00 C ATOM 920 O ASP A 66 -5.616 -10.537 0.360 1.00 0.00 O ATOM 921 CB ASP A 66 -8.900 -11.002 0.570 1.00 0.00 C ATOM 922 CG ASP A 66 -8.363 -11.285 1.973 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.002 -10.301 2.658 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.326 -12.478 2.343 1.00 0.00 O ATOM 0 H ASP A 66 -9.469 -10.022 -1.621 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.703 -9.233 0.275 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.849 -10.471 0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.099 -11.943 0.057 1.00 0.00 H new ATOM 929 N GLU A 67 -6.439 -11.891 -1.222 1.00 0.00 N ATOM 930 CA GLU A 67 -5.227 -12.643 -1.416 1.00 0.00 C ATOM 931 C GLU A 67 -4.071 -11.719 -1.800 1.00 0.00 C ATOM 932 O GLU A 67 -2.999 -11.747 -1.193 1.00 0.00 O ATOM 933 CB GLU A 67 -5.529 -13.696 -2.483 1.00 0.00 C ATOM 934 CG GLU A 67 -6.796 -14.531 -2.221 1.00 0.00 C ATOM 935 CD GLU A 67 -6.950 -14.939 -0.757 1.00 0.00 C ATOM 936 OE1 GLU A 67 -6.065 -15.672 -0.267 1.00 0.00 O ATOM 937 OE2 GLU A 67 -7.945 -14.490 -0.148 1.00 0.00 O ATOM 0 H GLU A 67 -7.208 -12.199 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.908 -13.137 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.631 -13.198 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.676 -14.370 -2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.672 -13.958 -2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.769 -15.427 -2.841 1.00 0.00 H new ATOM 944 N GLU A 68 -4.327 -10.877 -2.801 1.00 0.00 N ATOM 945 CA GLU A 68 -3.386 -9.884 -3.271 1.00 0.00 C ATOM 946 C GLU A 68 -3.023 -8.978 -2.095 1.00 0.00 C ATOM 947 O GLU A 68 -1.846 -8.728 -1.861 1.00 0.00 O ATOM 948 CB GLU A 68 -4.013 -9.051 -4.399 1.00 0.00 C ATOM 949 CG GLU A 68 -4.680 -9.821 -5.552 1.00 0.00 C ATOM 950 CD GLU A 68 -3.723 -10.644 -6.409 1.00 0.00 C ATOM 951 OE1 GLU A 68 -3.058 -11.537 -5.842 1.00 0.00 O ATOM 952 OE2 GLU A 68 -3.699 -10.399 -7.638 1.00 0.00 O ATOM 0 H GLU A 68 -5.211 -10.873 -3.310 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.493 -10.372 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.759 -8.391 -3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.235 -8.415 -4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.437 -10.486 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.199 -9.109 -6.193 1.00 0.00 H new ATOM 959 N LEU A 69 -4.032 -8.503 -1.354 1.00 0.00 N ATOM 960 CA LEU A 69 -3.842 -7.590 -0.241 1.00 0.00 C ATOM 961 C LEU A 69 -2.870 -8.169 0.786 1.00 0.00 C ATOM 962 O LEU A 69 -1.834 -7.567 1.080 1.00 0.00 O ATOM 963 CB LEU A 69 -5.178 -7.246 0.451 1.00 0.00 C ATOM 964 CG LEU A 69 -6.253 -6.476 -0.345 1.00 0.00 C ATOM 965 CD1 LEU A 69 -6.894 -5.394 0.534 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.811 -5.808 -1.648 1.00 0.00 C ATOM 0 H LEU A 69 -5.008 -8.749 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.421 -6.673 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.625 -8.181 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.947 -6.663 1.342 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.948 -7.264 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.650 -4.859 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.360 -5.860 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.128 -4.693 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.662 -5.303 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.028 -5.080 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.427 -6.564 -2.333 1.00 0.00 H new ATOM 978 N LYS A 70 -3.213 -9.344 1.325 1.00 0.00 N ATOM 979 CA LYS A 70 -2.408 -10.037 2.321 1.00 0.00 C ATOM 980 C LYS A 70 -0.980 -10.177 1.803 1.00 0.00 C ATOM 981 O LYS A 70 -0.016 -9.883 2.508 1.00 0.00 O ATOM 982 CB LYS A 70 -3.014 -11.415 2.623 1.00 0.00 C ATOM 983 CG LYS A 70 -4.347 -11.299 3.376 1.00 0.00 C ATOM 984 CD LYS A 70 -4.982 -12.665 3.680 1.00 0.00 C ATOM 985 CE LYS A 70 -5.262 -13.465 2.402 1.00 0.00 C ATOM 986 NZ LYS A 70 -6.183 -14.587 2.647 1.00 0.00 N ATOM 0 H LYS A 70 -4.068 -9.841 1.075 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.395 -9.462 3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.170 -11.956 1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.311 -11.999 3.217 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.185 -10.763 4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.043 -10.704 2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.318 -13.237 4.328 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.913 -12.518 4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.687 -12.805 1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.324 -13.847 2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.176 -15.227 1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.879 -15.107 3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.145 -14.221 2.792 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.849 -10.607 0.550 1.00 0.00 N ATOM 1001 CA ALA A 71 0.449 -10.777 -0.064 1.00 0.00 C ATOM 1002 C ALA A 71 1.196 -9.454 -0.250 1.00 0.00 C ATOM 1003 O ALA A 71 2.421 -9.437 -0.128 1.00 0.00 O ATOM 1004 CB ALA A 71 0.273 -11.529 -1.382 1.00 0.00 C ATOM 0 H ALA A 71 -1.635 -10.843 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 71 1.078 -11.363 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.245 -11.664 -1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.175 -12.504 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.377 -10.956 -2.044 1.00 0.00 H new ATOM 1010 N LEU A 72 0.506 -8.344 -0.544 1.00 0.00 N ATOM 1011 CA LEU A 72 1.171 -7.078 -0.755 1.00 0.00 C ATOM 1012 C LEU A 72 1.743 -6.680 0.600 1.00 0.00 C ATOM 1013 O LEU A 72 2.926 -6.370 0.712 1.00 0.00 O ATOM 1014 CB LEU A 72 0.155 -6.076 -1.326 1.00 0.00 C ATOM 1015 CG LEU A 72 0.637 -5.351 -2.594 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -0.505 -4.550 -3.225 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.813 -4.414 -2.344 1.00 0.00 C ATOM 0 H LEU A 72 -0.509 -8.310 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 72 1.985 -7.119 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.772 -6.603 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.077 -5.334 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 72 0.975 -6.135 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.143 -4.045 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.318 -5.225 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.867 -3.810 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.102 -3.935 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.523 -3.652 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.656 -4.984 -1.952 1.00 0.00 H new ATOM 1029 N ALA A 73 0.904 -6.741 1.640 1.00 0.00 N ATOM 1030 CA ALA A 73 1.329 -6.472 3.001 1.00 0.00 C ATOM 1031 C ALA A 73 2.536 -7.333 3.373 1.00 0.00 C ATOM 1032 O ALA A 73 3.532 -6.806 3.863 1.00 0.00 O ATOM 1033 CB ALA A 73 0.161 -6.704 3.953 1.00 0.00 C ATOM 0 H ALA A 73 -0.084 -6.978 1.553 1.00 0.00 H new ATOM 0 HA ALA A 73 1.640 -5.431 3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.480 -6.502 4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.660 -6.037 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.172 -7.739 3.874 1.00 0.00 H new ATOM 1039 N ASP A 74 2.465 -8.649 3.136 1.00 0.00 N ATOM 1040 CA ASP A 74 3.579 -9.545 3.411 1.00 0.00 C ATOM 1041 C ASP A 74 4.857 -9.043 2.734 1.00 0.00 C ATOM 1042 O ASP A 74 5.876 -8.892 3.402 1.00 0.00 O ATOM 1043 CB ASP A 74 3.246 -10.972 2.966 1.00 0.00 C ATOM 1044 CG ASP A 74 4.416 -11.907 3.249 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.603 -12.237 4.440 1.00 0.00 O ATOM 1046 OD2 ASP A 74 5.107 -12.266 2.271 1.00 0.00 O ATOM 0 H ASP A 74 1.641 -9.112 2.753 1.00 0.00 H new ATOM 0 HA ASP A 74 3.752 -9.558 4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.357 -11.324 3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.014 -10.982 1.901 1.00 0.00 H new ATOM 1051 N TYR A 75 4.798 -8.767 1.425 1.00 0.00 N ATOM 1052 CA TYR A 75 5.945 -8.258 0.679 1.00 0.00 C ATOM 1053 C TYR A 75 6.503 -7.001 1.358 1.00 0.00 C ATOM 1054 O TYR A 75 7.657 -6.967 1.777 1.00 0.00 O ATOM 1055 CB TYR A 75 5.545 -7.999 -0.783 1.00 0.00 C ATOM 1056 CG TYR A 75 6.681 -7.527 -1.674 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.079 -6.176 -1.659 1.00 0.00 C ATOM 1058 CD2 TYR A 75 7.349 -8.438 -2.513 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.167 -5.754 -2.440 1.00 0.00 C ATOM 1060 CE2 TYR A 75 8.371 -7.990 -3.370 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.784 -6.648 -3.328 1.00 0.00 C ATOM 1062 OH TYR A 75 9.765 -6.207 -4.166 1.00 0.00 O ATOM 0 H TYR A 75 3.957 -8.891 0.861 1.00 0.00 H new ATOM 0 HA TYR A 75 6.740 -9.003 0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.130 -8.916 -1.201 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.751 -7.252 -0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.547 -5.464 -1.046 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.077 -9.483 -2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.529 -4.740 -2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.838 -8.678 -4.060 1.00 0.00 H new ATOM 0 HH TYR A 75 10.087 -6.953 -4.714 1.00 0.00 H new ATOM 1072 N MET A 76 5.675 -5.961 1.479 1.00 0.00 N ATOM 1073 CA MET A 76 6.024 -4.695 2.103 1.00 0.00 C ATOM 1074 C MET A 76 6.523 -4.847 3.546 1.00 0.00 C ATOM 1075 O MET A 76 7.273 -4.004 4.037 1.00 0.00 O ATOM 1076 CB MET A 76 4.791 -3.797 2.011 1.00 0.00 C ATOM 1077 CG MET A 76 4.445 -3.528 0.541 1.00 0.00 C ATOM 1078 SD MET A 76 3.206 -2.245 0.237 1.00 0.00 S ATOM 1079 CE MET A 76 1.758 -3.014 0.996 1.00 0.00 C ATOM 0 H MET A 76 4.716 -5.983 1.133 1.00 0.00 H new ATOM 0 HA MET A 76 6.867 -4.249 1.576 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.947 -4.272 2.510 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.978 -2.855 2.527 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.361 -3.252 0.018 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.092 -4.458 0.096 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.866 -2.751 0.427 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.881 -4.097 0.999 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.652 -2.658 2.021 1.00 0.00 H new ATOM 1089 N SER A 77 6.111 -5.912 4.236 1.00 0.00 N ATOM 1090 CA SER A 77 6.570 -6.202 5.586 1.00 0.00 C ATOM 1091 C SER A 77 7.988 -6.781 5.605 1.00 0.00 C ATOM 1092 O SER A 77 8.503 -7.015 6.699 1.00 0.00 O ATOM 1093 CB SER A 77 5.617 -7.174 6.285 1.00 0.00 C ATOM 1094 OG SER A 77 5.910 -7.221 7.673 1.00 0.00 O ATOM 0 H SER A 77 5.449 -6.596 3.870 1.00 0.00 H new ATOM 0 HA SER A 77 6.585 -5.252 6.121 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.585 -6.858 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.714 -8.169 5.850 1.00 0.00 H new ATOM 0 HG SER A 77 6.880 -7.169 7.805 1.00 0.00 H new ATOM 1100 N LYS A 78 8.586 -7.071 4.445 1.00 0.00 N ATOM 1101 CA LYS A 78 9.911 -7.657 4.313 1.00 0.00 C ATOM 1102 C LYS A 78 10.624 -6.837 3.242 1.00 0.00 C ATOM 1103 O LYS A 78 11.135 -7.378 2.262 1.00 0.00 O ATOM 1104 CB LYS A 78 9.767 -9.128 3.883 1.00 0.00 C ATOM 1105 CG LYS A 78 8.930 -10.001 4.830 1.00 0.00 C ATOM 1106 CD LYS A 78 9.596 -10.191 6.198 1.00 0.00 C ATOM 1107 CE LYS A 78 8.717 -11.078 7.085 1.00 0.00 C ATOM 1108 NZ LYS A 78 9.318 -11.267 8.417 1.00 0.00 N ATOM 0 H LYS A 78 8.140 -6.896 3.545 1.00 0.00 H new ATOM 0 HA LYS A 78 10.474 -7.641 5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.316 -9.159 2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.762 -9.564 3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.949 -9.545 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.767 -10.976 4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.579 -10.645 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.750 -9.223 6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.730 -10.627 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.575 -12.047 6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.700 -11.872 8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.249 -11.719 8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.430 -10.343 8.881 1.00 0.00 H new ATOM 1122 N LEU A 79 10.621 -5.518 3.424 1.00 0.00 N ATOM 1123 CA LEU A 79 11.074 -4.554 2.465 1.00 0.00 C ATOM 1124 C LEU A 79 11.603 -3.374 3.275 1.00 0.00 C ATOM 1125 O LEU A 79 12.621 -2.782 2.852 1.00 0.00 O ATOM 1126 CB LEU A 79 9.808 -4.197 1.686 1.00 0.00 C ATOM 1127 CG LEU A 79 10.025 -3.125 0.639 1.00 0.00 C ATOM 1128 CD1 LEU A 79 10.890 -3.667 -0.503 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.667 -2.650 0.121 1.00 0.00 C ATOM 1130 OXT LEU A 79 10.965 -3.096 4.316 1.00 0.00 O ATOM 0 H LEU A 79 10.285 -5.089 4.286 1.00 0.00 H new ATOM 0 HA LEU A 79 11.860 -4.883 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.424 -5.095 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.043 -3.861 2.386 1.00 0.00 H new ATOM 0 HG LEU A 79 10.551 -2.279 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.038 -2.886 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.857 -3.981 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.391 -4.519 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.815 -1.878 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.132 -3.491 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.085 -2.243 0.947 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.759 4.145 -1.042 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.273 4.811 2.299 1.00 5.52 C HETATM 1145 CHB HEC A 80 0.358 0.849 -0.337 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.622 3.498 -4.385 1.00 6.02 C HETATM 1147 CHD HEC A 80 0.993 7.473 -1.644 1.00 10.53 C HETATM 1148 NA HEC A 80 0.901 3.045 0.621 1.00 6.22 N HETATM 1149 C1A HEC A 80 1.157 3.479 1.911 1.00 6.23 C HETATM 1150 C2A HEC A 80 1.180 2.349 2.814 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.814 1.264 2.094 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.674 1.688 0.724 1.00 9.92 C HETATM 1153 CMA HEC A 80 0.588 -0.131 2.596 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.458 2.390 4.289 1.00 7.29 C HETATM 1155 CBA HEC A 80 0.183 2.387 5.138 1.00 11.15 C HETATM 1156 CGA HEC A 80 -0.008 3.703 5.864 1.00 22.27 C HETATM 1157 O1A HEC A 80 0.871 4.068 6.638 1.00 18.65 O HETATM 1158 O2A HEC A 80 -1.035 4.339 5.648 1.00 17.21 O HETATM 1159 NB HEC A 80 0.482 2.512 -2.144 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.290 1.232 -1.670 1.00 10.91 C HETATM 1161 C2B HEC A 80 0.060 0.324 -2.761 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.209 1.035 -3.913 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.436 2.417 -3.522 1.00 4.49 C HETATM 1164 CMB HEC A 80 -0.219 -1.143 -2.574 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.197 0.508 -5.331 1.00 6.35 C HETATM 1166 CBB HEC A 80 -1.130 -0.116 -5.778 1.00 6.48 C HETATM 1167 NC HEC A 80 0.787 5.240 -2.656 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.773 4.825 -3.975 1.00 4.45 C HETATM 1169 C2C HEC A 80 1.186 5.918 -4.836 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.697 6.853 -3.984 1.00 8.44 C HETATM 1171 C4C HEC A 80 1.112 6.571 -2.701 1.00 11.13 C HETATM 1172 CMC HEC A 80 1.243 5.828 -6.336 1.00 8.62 C HETATM 1173 CAC HEC A 80 2.806 7.866 -4.161 1.00 3.39 C HETATM 1174 CBC HEC A 80 3.909 7.407 -3.188 1.00 10.94 C HETATM 1175 ND HEC A 80 0.787 5.798 0.116 1.00 4.28 N HETATM 1176 C1D HEC A 80 0.770 7.098 -0.325 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.502 7.985 0.782 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.569 7.241 1.920 1.00 5.11 C HETATM 1179 C4D HEC A 80 0.909 5.887 1.493 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.146 9.441 0.647 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.232 7.733 3.315 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.792 7.011 4.543 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.392 7.755 5.810 1.00 6.46 C HETATM 1184 O1D HEC A 80 1.088 8.703 6.162 1.00 8.25 O HETATM 1185 O2D HEC A 80 -0.609 7.384 6.418 1.00 15.15 O HETATM 0 HMD3 HEC A 80 0.955 9.968 0.140 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.771 9.539 0.066 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 -0.004 9.872 1.637 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.937 5.039 -6.627 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 0.251 5.600 -6.725 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 1.583 6.780 -6.745 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 0.621 -1.611 -2.061 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -1.123 -1.268 -1.978 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -0.358 -1.614 -3.547 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 1.505 -0.508 3.048 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.208 -0.125 3.341 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 0.302 -0.775 1.765 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.416 5.989 4.577 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 1.878 6.949 4.475 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 3.519 7.406 -2.170 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 4.233 6.401 -3.453 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 4.757 8.089 -3.251 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -1.373 -0.958 -5.130 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.922 0.630 -5.715 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 -1.040 -0.464 -6.807 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.679 2.195 4.500 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 0.230 1.575 5.863 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.553 8.773 3.377 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.854 7.729 3.405 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 2.072 1.531 4.562 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 2.039 3.283 4.519 1.00 7.29 H new HETATM 0 HHD HEC A 80 1.080 8.537 -1.866 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.652 3.292 -5.455 1.00 6.02 H new HETATM 0 HHB HEC A 80 0.146 -0.195 -0.104 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.672 5.024 3.291 1.00 5.52 H new