USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 407 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 12 CYS SG : rot 157:sc= 1.99 USER MOD Set 1.2: A 15 CYS SG : rot -61:sc= 0.81 USER MOD Set 1.3: A 17 THR OG1 : rot 89:sc= 0.259! USER MOD Set 1.4: A 33 CYS SG : rot -133:sc= 1.14 USER MOD Set 1.5: A 36 CYS SG : rot 148:sc= 0.173 USER MOD Set 2.1: A 20 THR OG1 : rot -125:sc= -0.452! USER MOD Set 2.2: A 34 ASN : amide:sc= -16.6! C(o=-17!,f=-16!) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 14 ASN : amide:sc= -4.42! C(o=-4.4!,f=-3.3!) USER MOD Single : A 11 THR OG1 : rot 36:sc= 0.0734 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.5) USER MOD Single : A 30 GLN : amide:sc= -0.268 K(o=-0.27,f=-1.2) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= -0.246 (180deg=-1.15) USER MOD Single : A 43 HIS : no HE2:sc= -13.7! C(o=-14!,f=-19!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 140:sc= -1.17 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -156:sc= -0.345 (180deg=-1.37!) USER MOD Single : A 60 ASN : amide:sc= -1.22! C(o=-1.2!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.716 7.045 31.560 1.00 0.00 N ATOM 971 CA THR A 11 11.311 5.607 31.624 1.00 0.00 C ATOM 972 C THR A 11 9.828 5.513 31.987 1.00 0.00 C ATOM 973 O THR A 11 9.349 6.211 32.860 1.00 0.00 O ATOM 974 CB THR A 11 12.145 4.903 32.698 1.00 0.00 C ATOM 975 OG1 THR A 11 13.517 4.942 32.332 1.00 0.00 O ATOM 976 CG2 THR A 11 11.691 3.450 32.832 1.00 0.00 C ATOM 0 HA THR A 11 11.477 5.132 30.657 1.00 0.00 H new ATOM 0 HB THR A 11 12.009 5.411 33.653 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.712 5.791 31.883 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.286 2.952 33.597 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.639 3.422 33.116 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.823 2.938 31.879 1.00 0.00 H new ATOM 984 N CYS A 12 9.092 4.656 31.331 1.00 0.00 N ATOM 985 CA CYS A 12 7.643 4.526 31.648 1.00 0.00 C ATOM 986 C CYS A 12 7.483 3.998 33.073 1.00 0.00 C ATOM 987 O CYS A 12 7.750 2.845 33.355 1.00 0.00 O ATOM 988 CB CYS A 12 6.985 3.558 30.665 1.00 0.00 C ATOM 989 SG CYS A 12 5.194 3.812 30.688 1.00 0.00 S ATOM 0 H CYS A 12 9.432 4.042 30.591 1.00 0.00 H new ATOM 0 HA CYS A 12 7.164 5.501 31.564 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.374 3.721 29.660 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.222 2.529 30.936 1.00 0.00 H new ATOM 0 HG CYS A 12 4.682 3.397 29.567 1.00 0.00 H new ATOM 994 N THR A 13 7.044 4.834 33.969 1.00 0.00 N ATOM 995 CA THR A 13 6.866 4.395 35.379 1.00 0.00 C ATOM 996 C THR A 13 5.754 3.350 35.469 1.00 0.00 C ATOM 997 O THR A 13 5.561 2.735 36.499 1.00 0.00 O ATOM 998 CB THR A 13 6.510 5.600 36.253 1.00 0.00 C ATOM 999 OG1 THR A 13 5.239 6.106 35.872 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.569 6.691 36.079 1.00 0.00 C ATOM 0 H THR A 13 6.800 5.807 33.785 1.00 0.00 H new ATOM 0 HA THR A 13 7.798 3.953 35.732 1.00 0.00 H new ATOM 0 HB THR A 13 6.478 5.291 37.298 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.012 6.876 36.434 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.314 7.548 36.702 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.543 6.303 36.377 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.605 7.000 35.034 1.00 0.00 H new ATOM 1008 N ASN A 14 5.008 3.142 34.411 1.00 0.00 N ATOM 1009 CA ASN A 14 3.903 2.138 34.456 1.00 0.00 C ATOM 1010 C ASN A 14 4.351 0.808 33.837 1.00 0.00 C ATOM 1011 O ASN A 14 3.914 -0.242 34.265 1.00 0.00 O ATOM 1012 CB ASN A 14 2.698 2.670 33.677 1.00 0.00 C ATOM 1013 CG ASN A 14 2.052 3.818 34.455 1.00 0.00 C ATOM 1014 OD1 ASN A 14 1.048 4.361 34.038 1.00 0.00 O ATOM 1015 ND2 ASN A 14 2.594 4.218 35.572 1.00 0.00 N ATOM 0 H ASN A 14 5.118 3.625 33.519 1.00 0.00 H new ATOM 0 HA ASN A 14 3.633 1.969 35.498 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.012 3.016 32.692 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.973 1.872 33.518 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.175 4.987 36.096 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.437 3.762 35.922 1.00 0.00 H new ATOM 1022 N CYS A 15 5.191 0.826 32.826 1.00 0.00 N ATOM 1023 CA CYS A 15 5.620 -0.465 32.190 1.00 0.00 C ATOM 1024 C CYS A 15 7.121 -0.456 31.883 1.00 0.00 C ATOM 1025 O CYS A 15 7.620 -1.334 31.212 1.00 0.00 O ATOM 1026 CB CYS A 15 4.820 -0.695 30.900 1.00 0.00 C ATOM 1027 SG CYS A 15 5.507 0.281 29.537 1.00 0.00 S ATOM 0 H CYS A 15 5.595 1.669 32.417 1.00 0.00 H new ATOM 0 HA CYS A 15 5.424 -1.277 32.890 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.836 -1.753 30.640 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.777 -0.422 31.060 1.00 0.00 H new ATOM 0 HG CYS A 15 5.446 1.545 29.835 1.00 0.00 H new ATOM 1032 N PHE A 16 7.845 0.509 32.383 1.00 0.00 N ATOM 1033 CA PHE A 16 9.321 0.566 32.152 1.00 0.00 C ATOM 1034 C PHE A 16 9.680 0.647 30.665 1.00 0.00 C ATOM 1035 O PHE A 16 10.843 0.645 30.316 1.00 0.00 O ATOM 1036 CB PHE A 16 10.003 -0.658 32.772 1.00 0.00 C ATOM 1037 CG PHE A 16 9.822 -0.628 34.270 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.732 0.072 35.071 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.742 -1.298 34.859 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.563 0.102 36.459 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.574 -1.268 36.248 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.485 -0.568 37.048 1.00 0.00 C ATOM 0 H PHE A 16 7.473 1.271 32.950 1.00 0.00 H new ATOM 0 HA PHE A 16 9.679 1.478 32.631 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.576 -1.573 32.361 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.064 -0.662 32.523 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.565 0.589 34.617 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.039 -1.838 34.241 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.265 0.643 37.077 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.742 -1.785 36.703 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.356 -0.545 38.120 1.00 0.00 H new ATOM 1052 N THR A 17 8.728 0.710 29.776 1.00 0.00 N ATOM 1053 CA THR A 17 9.102 0.778 28.334 1.00 0.00 C ATOM 1054 C THR A 17 9.962 2.021 28.098 1.00 0.00 C ATOM 1055 O THR A 17 9.579 3.121 28.434 1.00 0.00 O ATOM 1056 CB THR A 17 7.832 0.869 27.476 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.153 -0.378 27.509 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.196 1.217 26.028 1.00 0.00 C ATOM 0 H THR A 17 7.728 0.717 29.977 1.00 0.00 H new ATOM 0 HA THR A 17 9.661 -0.117 28.059 1.00 0.00 H new ATOM 0 HB THR A 17 7.186 1.651 27.875 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.529 -0.391 28.264 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.287 1.279 25.429 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.713 2.176 26.003 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.847 0.444 25.621 1.00 0.00 H new ATOM 1066 N GLN A 18 11.121 1.846 27.514 1.00 0.00 N ATOM 1067 CA GLN A 18 12.022 3.007 27.237 1.00 0.00 C ATOM 1068 C GLN A 18 11.912 3.393 25.760 1.00 0.00 C ATOM 1069 O GLN A 18 12.322 4.464 25.358 1.00 0.00 O ATOM 1070 CB GLN A 18 13.469 2.618 27.561 1.00 0.00 C ATOM 1071 CG GLN A 18 13.758 1.210 27.035 1.00 0.00 C ATOM 1072 CD GLN A 18 15.222 0.855 27.300 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.734 1.095 28.376 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.924 0.289 26.357 1.00 0.00 N ATOM 0 H GLN A 18 11.485 0.941 27.215 1.00 0.00 H new ATOM 0 HA GLN A 18 11.728 3.855 27.856 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.157 3.333 27.110 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.632 2.654 28.638 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.104 0.487 27.522 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.549 1.160 25.967 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.496 0.087 25.454 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.901 0.048 26.523 1.00 0.00 H new ATOM 1083 N THR A 19 11.360 2.527 24.950 1.00 0.00 N ATOM 1084 CA THR A 19 11.213 2.825 23.492 1.00 0.00 C ATOM 1085 C THR A 19 9.755 3.187 23.195 1.00 0.00 C ATOM 1086 O THR A 19 8.844 2.486 23.587 1.00 0.00 O ATOM 1087 CB THR A 19 11.597 1.582 22.687 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.881 1.132 23.097 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.627 1.920 21.196 1.00 0.00 C ATOM 0 H THR A 19 11.001 1.617 25.239 1.00 0.00 H new ATOM 0 HA THR A 19 11.861 3.658 23.218 1.00 0.00 H new ATOM 0 HB THR A 19 10.861 0.797 22.863 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.128 0.335 22.583 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.901 1.032 20.627 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.642 2.263 20.881 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.360 2.706 21.016 1.00 0.00 H new ATOM 1097 N THR A 20 9.521 4.280 22.518 1.00 0.00 N ATOM 1098 CA THR A 20 8.115 4.675 22.218 1.00 0.00 C ATOM 1099 C THR A 20 8.097 5.712 21.087 1.00 0.00 C ATOM 1100 O THR A 20 9.014 6.499 20.960 1.00 0.00 O ATOM 1101 CB THR A 20 7.501 5.297 23.476 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.295 5.966 23.140 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.483 6.298 24.088 1.00 0.00 C ATOM 0 H THR A 20 10.238 4.912 22.162 1.00 0.00 H new ATOM 0 HA THR A 20 7.545 3.798 21.911 1.00 0.00 H new ATOM 0 HB THR A 20 7.289 4.508 24.198 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.338 6.894 23.451 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.043 6.739 24.983 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.408 5.785 24.353 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.699 7.084 23.365 1.00 0.00 H new ATOM 1111 N PRO A 21 7.067 5.734 20.274 1.00 0.00 N ATOM 1112 CA PRO A 21 6.970 6.721 19.162 1.00 0.00 C ATOM 1113 C PRO A 21 6.915 8.153 19.707 1.00 0.00 C ATOM 1114 O PRO A 21 7.316 9.094 19.051 1.00 0.00 O ATOM 1115 CB PRO A 21 5.681 6.338 18.412 1.00 0.00 C ATOM 1116 CG PRO A 21 4.891 5.491 19.362 1.00 0.00 C ATOM 1117 CD PRO A 21 5.896 4.839 20.317 1.00 0.00 C ATOM 0 HA PRO A 21 7.837 6.696 18.502 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.120 7.226 18.121 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.909 5.791 17.497 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.172 6.097 19.913 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.323 4.733 18.823 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.492 4.759 21.326 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.154 3.830 19.996 1.00 0.00 H new ATOM 1125 N VAL A 22 6.436 8.321 20.912 1.00 0.00 N ATOM 1126 CA VAL A 22 6.380 9.692 21.501 1.00 0.00 C ATOM 1127 C VAL A 22 6.085 9.606 23.001 1.00 0.00 C ATOM 1128 O VAL A 22 5.380 8.736 23.466 1.00 0.00 O ATOM 1129 CB VAL A 22 5.301 10.526 20.804 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.947 9.824 20.909 1.00 0.00 C ATOM 1131 CG2 VAL A 22 5.211 11.898 21.474 1.00 0.00 C ATOM 0 H VAL A 22 6.083 7.574 21.510 1.00 0.00 H new ATOM 0 HA VAL A 22 7.346 10.175 21.355 1.00 0.00 H new ATOM 0 HB VAL A 22 5.563 10.643 19.753 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.186 10.425 20.411 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.007 8.845 20.433 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.682 9.701 21.959 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.444 12.494 20.980 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.953 11.773 22.526 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.172 12.406 21.394 1.00 0.00 H new ATOM 1141 N TRP A 23 6.640 10.498 23.772 1.00 0.00 N ATOM 1142 CA TRP A 23 6.406 10.453 25.244 1.00 0.00 C ATOM 1143 C TRP A 23 5.131 11.217 25.604 1.00 0.00 C ATOM 1144 O TRP A 23 4.900 12.326 25.164 1.00 0.00 O ATOM 1145 CB TRP A 23 7.606 11.057 25.976 1.00 0.00 C ATOM 1146 CG TRP A 23 8.732 10.072 25.961 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.861 10.188 25.226 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.845 8.813 26.687 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.664 9.088 25.463 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.082 8.212 26.356 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.004 8.145 27.596 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.470 6.990 26.904 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.391 6.915 28.149 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.622 6.339 27.804 1.00 0.00 C ATOM 0 H TRP A 23 7.244 11.254 23.449 1.00 0.00 H new ATOM 0 HA TRP A 23 6.285 9.414 25.551 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.912 11.986 25.495 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.335 11.304 27.003 1.00 0.00 H new ATOM 0 HD1 TRP A 23 10.097 11.007 24.562 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.576 8.942 25.030 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.055 8.582 27.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.419 6.550 26.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.737 6.409 28.844 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.915 5.392 28.234 1.00 0.00 H new ATOM 1165 N ARG A 24 4.304 10.607 26.410 1.00 0.00 N ATOM 1166 CA ARG A 24 3.023 11.239 26.842 1.00 0.00 C ATOM 1167 C ARG A 24 3.188 11.745 28.273 1.00 0.00 C ATOM 1168 O ARG A 24 4.174 11.464 28.926 1.00 0.00 O ATOM 1169 CB ARG A 24 1.915 10.182 26.816 1.00 0.00 C ATOM 1170 CG ARG A 24 1.731 9.623 25.398 1.00 0.00 C ATOM 1171 CD ARG A 24 0.832 10.548 24.567 1.00 0.00 C ATOM 1172 NE ARG A 24 0.763 10.046 23.166 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.193 10.450 22.376 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.130 11.235 22.832 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.221 10.054 21.132 1.00 0.00 N ATOM 0 H ARG A 24 4.466 9.677 26.796 1.00 0.00 H new ATOM 0 HA ARG A 24 2.767 12.064 26.177 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.162 9.372 27.502 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.979 10.620 27.164 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.702 9.518 24.913 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.291 8.627 25.448 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.167 10.587 25.000 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.225 11.564 24.581 1.00 0.00 H new ATOM 0 HE ARG A 24 1.463 9.387 22.825 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.115 11.533 23.807 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.877 11.550 22.213 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.504 9.429 20.779 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.968 10.369 20.513 1.00 0.00 H new ATOM 1189 N ARG A 25 2.230 12.483 28.770 1.00 0.00 N ATOM 1190 CA ARG A 25 2.320 13.000 30.168 1.00 0.00 C ATOM 1191 C ARG A 25 0.975 12.785 30.860 1.00 0.00 C ATOM 1192 O ARG A 25 -0.044 12.618 30.221 1.00 0.00 O ATOM 1193 CB ARG A 25 2.664 14.490 30.149 1.00 0.00 C ATOM 1194 CG ARG A 25 4.108 14.666 29.675 1.00 0.00 C ATOM 1195 CD ARG A 25 4.518 16.132 29.816 1.00 0.00 C ATOM 1196 NE ARG A 25 5.797 16.367 29.088 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.178 17.585 28.818 1.00 0.00 C ATOM 1198 NH1 ARG A 25 5.428 18.594 29.166 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.306 17.794 28.195 1.00 0.00 N ATOM 0 H ARG A 25 1.385 12.751 28.265 1.00 0.00 H new ATOM 0 HA ARG A 25 3.102 12.468 30.710 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.983 15.024 29.486 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.541 14.917 31.144 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.774 14.033 30.262 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.202 14.350 28.636 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.737 16.778 29.416 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.635 16.387 30.869 1.00 0.00 H new ATOM 0 HE ARG A 25 6.374 15.576 28.801 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.545 18.430 29.649 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.725 19.547 28.955 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.890 17.005 27.919 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.603 18.747 27.984 1.00 0.00 H new ATOM 1213 N ASN A 26 0.975 12.776 32.165 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.285 12.558 32.939 1.00 0.00 C ATOM 1215 C ASN A 26 -0.519 13.783 33.835 1.00 0.00 C ATOM 1216 O ASN A 26 0.431 14.374 34.300 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.083 11.311 33.809 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.422 10.829 34.364 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.771 11.133 35.486 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.196 10.088 33.618 1.00 0.00 N ATOM 0 H ASN A 26 1.807 12.913 32.739 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.142 12.422 32.279 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.380 10.519 33.220 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.598 11.538 34.629 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.094 9.765 33.978 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.903 9.832 32.675 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.747 14.179 34.100 1.00 0.00 N ATOM 1228 CA PRO A 27 -2.010 15.353 34.987 1.00 0.00 C ATOM 1229 C PRO A 27 -1.198 15.296 36.291 1.00 0.00 C ATOM 1230 O PRO A 27 -1.214 16.218 37.082 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.513 15.267 35.278 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.093 14.555 34.098 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.008 13.596 33.592 1.00 0.00 C ATOM 0 HA PRO A 27 -1.716 16.289 34.513 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.706 14.722 36.202 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.950 16.259 35.395 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.994 14.009 34.379 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.379 15.263 33.320 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.161 12.585 33.971 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.008 13.532 32.504 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.464 14.232 36.507 1.00 0.00 N ATOM 1242 CA GLU A 28 0.376 14.116 37.736 1.00 0.00 C ATOM 1243 C GLU A 28 1.814 14.505 37.383 1.00 0.00 C ATOM 1244 O GLU A 28 2.632 14.772 38.239 1.00 0.00 O ATOM 1245 CB GLU A 28 0.356 12.666 38.227 1.00 0.00 C ATOM 1246 CG GLU A 28 -1.024 12.329 38.795 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.058 10.856 39.209 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -0.126 10.145 38.871 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.018 10.463 39.851 1.00 0.00 O ATOM 0 H GLU A 28 -0.412 13.432 35.877 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.011 14.771 38.516 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.596 11.991 37.405 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.119 12.521 38.992 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.241 12.964 39.654 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.794 12.526 38.050 1.00 0.00 H new ATOM 1256 N GLY A 29 2.118 14.527 36.115 1.00 0.00 N ATOM 1257 CA GLY A 29 3.491 14.884 35.661 1.00 0.00 C ATOM 1258 C GLY A 29 4.359 13.627 35.593 1.00 0.00 C ATOM 1259 O GLY A 29 5.561 13.701 35.438 1.00 0.00 O ATOM 0 H GLY A 29 1.463 14.310 35.364 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.447 15.360 34.681 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.934 15.606 36.347 1.00 0.00 H new ATOM 1263 N GLN A 30 3.758 12.471 35.695 1.00 0.00 N ATOM 1264 CA GLN A 30 4.543 11.205 35.622 1.00 0.00 C ATOM 1265 C GLN A 30 4.691 10.788 34.148 1.00 0.00 C ATOM 1266 O GLN A 30 3.705 10.474 33.511 1.00 0.00 O ATOM 1267 CB GLN A 30 3.776 10.111 36.369 1.00 0.00 C ATOM 1268 CG GLN A 30 3.641 10.501 37.842 1.00 0.00 C ATOM 1269 CD GLN A 30 3.003 9.350 38.624 1.00 0.00 C ATOM 1270 OE1 GLN A 30 2.024 8.776 38.192 1.00 0.00 O ATOM 1271 NE2 GLN A 30 3.521 8.987 39.765 1.00 0.00 N ATOM 0 H GLN A 30 2.754 12.349 35.826 1.00 0.00 H new ATOM 0 HA GLN A 30 5.528 11.350 36.067 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.790 9.975 35.925 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.299 9.159 36.280 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.621 10.736 38.257 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.031 11.399 37.936 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.343 9.469 40.128 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.104 8.221 40.294 1.00 0.00 H new ATOM 1280 N PRO A 31 5.883 10.761 33.586 1.00 0.00 N ATOM 1281 CA PRO A 31 6.059 10.346 32.161 1.00 0.00 C ATOM 1282 C PRO A 31 5.494 8.943 31.890 1.00 0.00 C ATOM 1283 O PRO A 31 5.571 8.056 32.714 1.00 0.00 O ATOM 1284 CB PRO A 31 7.582 10.357 31.950 1.00 0.00 C ATOM 1285 CG PRO A 31 8.116 11.269 33.003 1.00 0.00 C ATOM 1286 CD PRO A 31 7.173 11.133 34.201 1.00 0.00 C ATOM 0 HA PRO A 31 5.524 11.011 31.483 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.000 9.355 32.048 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.839 10.714 30.953 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.135 10.995 33.276 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.148 12.299 32.647 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.519 10.371 34.899 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.097 12.066 34.759 1.00 0.00 H new ATOM 1294 N LEU A 32 4.925 8.753 30.728 1.00 0.00 N ATOM 1295 CA LEU A 32 4.345 7.420 30.365 1.00 0.00 C ATOM 1296 C LEU A 32 4.612 7.136 28.886 1.00 0.00 C ATOM 1297 O LEU A 32 4.714 8.042 28.082 1.00 0.00 O ATOM 1298 CB LEU A 32 2.829 7.430 30.597 1.00 0.00 C ATOM 1299 CG LEU A 32 2.502 7.612 32.086 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.997 7.851 32.243 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.905 6.360 32.882 1.00 0.00 C ATOM 0 H LEU A 32 4.835 9.469 30.007 1.00 0.00 H new ATOM 0 HA LEU A 32 4.807 6.652 30.985 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.374 8.235 30.020 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.396 6.497 30.237 1.00 0.00 H new ATOM 0 HG LEU A 32 3.060 8.466 32.470 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.757 7.981 33.298 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.712 8.748 31.693 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.450 6.994 31.850 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.666 6.506 33.935 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.359 5.496 32.503 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.976 6.189 32.773 1.00 0.00 H new ATOM 1313 N CYS A 33 4.704 5.887 28.508 1.00 0.00 N ATOM 1314 CA CYS A 33 4.936 5.564 27.071 1.00 0.00 C ATOM 1315 C CYS A 33 3.623 5.748 26.304 1.00 0.00 C ATOM 1316 O CYS A 33 2.620 6.144 26.865 1.00 0.00 O ATOM 1317 CB CYS A 33 5.462 4.130 26.927 1.00 0.00 C ATOM 1318 SG CYS A 33 4.138 2.927 27.191 1.00 0.00 S ATOM 0 H CYS A 33 4.629 5.082 29.129 1.00 0.00 H new ATOM 0 HA CYS A 33 5.688 6.235 26.657 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.890 3.993 25.934 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.263 3.958 27.646 1.00 0.00 H new ATOM 0 HG CYS A 33 4.555 1.991 27.991 1.00 0.00 H new ATOM 1323 N ASN A 34 3.620 5.492 25.026 1.00 0.00 N ATOM 1324 CA ASN A 34 2.372 5.682 24.229 1.00 0.00 C ATOM 1325 C ASN A 34 1.295 4.655 24.606 1.00 0.00 C ATOM 1326 O ASN A 34 0.147 5.001 24.795 1.00 0.00 O ATOM 1327 CB ASN A 34 2.709 5.559 22.732 1.00 0.00 C ATOM 1328 CG ASN A 34 3.186 6.904 22.190 1.00 0.00 C ATOM 1329 OD1 ASN A 34 2.388 7.765 21.879 1.00 0.00 O ATOM 1330 ND2 ASN A 34 4.463 7.116 22.067 1.00 0.00 N ATOM 0 H ASN A 34 4.426 5.159 24.497 1.00 0.00 H new ATOM 0 HA ASN A 34 1.973 6.672 24.447 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.482 4.804 22.586 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.830 5.226 22.179 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.799 8.009 21.708 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.128 6.389 22.330 1.00 0.00 H new ATOM 1337 N ALA A 35 1.628 3.398 24.680 1.00 0.00 N ATOM 1338 CA ALA A 35 0.585 2.379 25.000 1.00 0.00 C ATOM 1339 C ALA A 35 -0.068 2.640 26.366 1.00 0.00 C ATOM 1340 O ALA A 35 -1.277 2.686 26.476 1.00 0.00 O ATOM 1341 CB ALA A 35 1.216 0.988 24.979 1.00 0.00 C ATOM 0 H ALA A 35 2.569 3.031 24.535 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.199 2.445 24.245 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.457 0.241 25.212 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.628 0.790 23.989 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.014 0.939 25.720 1.00 0.00 H new ATOM 1347 N CYS A 36 0.702 2.788 27.411 1.00 0.00 N ATOM 1348 CA CYS A 36 0.088 3.016 28.756 1.00 0.00 C ATOM 1349 C CYS A 36 -0.814 4.249 28.732 1.00 0.00 C ATOM 1350 O CYS A 36 -1.895 4.249 29.283 1.00 0.00 O ATOM 1351 CB CYS A 36 1.180 3.265 29.799 1.00 0.00 C ATOM 1352 SG CYS A 36 2.126 1.755 30.088 1.00 0.00 S ATOM 0 H CYS A 36 1.722 2.762 27.395 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.492 2.128 29.009 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.844 4.059 29.457 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.731 3.605 30.732 1.00 0.00 H new ATOM 0 HG CYS A 36 3.357 2.062 30.373 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.367 5.307 28.119 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.188 6.550 28.088 1.00 0.00 C ATOM 1359 C GLY A 37 -2.507 6.313 27.352 1.00 0.00 C ATOM 1360 O GLY A 37 -3.549 6.779 27.767 1.00 0.00 O ATOM 0 H GLY A 37 0.530 5.366 27.638 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.390 6.883 29.106 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.630 7.347 27.596 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.473 5.624 26.247 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.731 5.398 25.480 1.00 0.00 C ATOM 1366 C LEU A 38 -4.701 4.481 26.234 1.00 0.00 C ATOM 1367 O LEU A 38 -5.867 4.790 26.368 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.387 4.769 24.128 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.549 5.745 23.289 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -2.037 5.024 22.038 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.394 6.964 22.876 1.00 0.00 C ATOM 0 H LEU A 38 -1.634 5.209 25.842 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.221 6.362 25.342 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.835 3.841 24.280 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.302 4.512 23.595 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.706 6.094 23.886 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.441 5.713 21.439 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.421 4.175 22.334 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.884 4.671 21.450 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.784 7.645 22.282 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.247 6.632 22.285 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.749 7.479 23.768 1.00 0.00 H new ATOM 1383 N PHE A 39 -4.254 3.348 26.709 1.00 0.00 N ATOM 1384 CA PHE A 39 -5.197 2.430 27.417 1.00 0.00 C ATOM 1385 C PHE A 39 -5.473 2.878 28.853 1.00 0.00 C ATOM 1386 O PHE A 39 -6.604 2.899 29.295 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.636 1.010 27.467 1.00 0.00 C ATOM 1388 CG PHE A 39 -5.691 0.114 28.070 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.855 0.052 29.461 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -6.530 -0.633 27.235 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.852 -0.759 30.015 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -7.528 -1.440 27.788 1.00 0.00 C ATOM 1393 CZ PHE A 39 -7.688 -1.506 29.178 1.00 0.00 C ATOM 0 H PHE A 39 -3.290 3.021 26.640 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.128 2.455 26.850 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.373 0.669 26.466 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.724 0.981 28.064 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.211 0.631 30.106 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.406 -0.586 26.163 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.976 -0.808 31.087 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.177 -2.014 27.143 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.457 -2.134 29.604 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.453 3.176 29.607 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.678 3.548 31.034 1.00 0.00 C ATOM 1405 C LEU A 40 -5.570 4.788 31.114 1.00 0.00 C ATOM 1406 O LEU A 40 -6.543 4.813 31.840 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.323 3.835 31.691 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.478 3.984 33.211 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.842 2.635 33.853 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.150 4.484 33.791 1.00 0.00 C ATOM 0 H LEU A 40 -3.480 3.179 29.302 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.173 2.728 31.555 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.627 3.026 31.469 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.896 4.747 31.273 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.278 4.694 33.424 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.947 2.762 34.930 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.783 2.276 33.436 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.054 1.910 33.648 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.244 4.595 34.871 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.362 3.765 33.567 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.899 5.448 33.348 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.250 5.820 30.385 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.085 7.053 30.434 1.00 0.00 C ATOM 1424 C LYS A 41 -7.518 6.751 29.977 1.00 0.00 C ATOM 1425 O LYS A 41 -8.477 7.194 30.581 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.461 8.105 29.516 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.152 9.452 29.728 1.00 0.00 C ATOM 1428 CD LYS A 41 -5.513 10.498 28.811 1.00 0.00 C ATOM 1429 CE LYS A 41 -6.200 11.849 29.017 1.00 0.00 C ATOM 1430 NZ LYS A 41 -7.678 11.664 28.984 1.00 0.00 N ATOM 0 H LYS A 41 -4.447 5.864 29.758 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.123 7.423 31.458 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.395 8.196 29.724 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.558 7.796 28.475 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.217 9.365 29.513 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.061 9.760 30.769 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.448 10.584 29.027 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.603 10.188 27.770 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.898 12.281 29.971 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.893 12.548 28.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.134 12.560 28.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.921 10.931 28.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.012 11.372 29.925 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.676 6.011 28.912 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.048 5.695 28.414 1.00 0.00 C ATOM 1446 C LEU A 42 -9.781 4.736 29.360 1.00 0.00 C ATOM 1447 O LEU A 42 -10.992 4.770 29.458 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.965 5.052 27.023 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.530 6.088 25.977 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -8.253 5.373 24.647 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.634 7.146 25.777 1.00 0.00 C ATOM 0 H LEU A 42 -6.914 5.611 28.364 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.604 6.631 28.365 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.256 4.224 27.040 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.935 4.636 26.750 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.627 6.589 26.324 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.943 6.103 23.899 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.460 4.638 24.787 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.159 4.869 24.309 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.310 7.873 25.032 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.547 6.659 25.435 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.826 7.655 26.722 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.080 3.848 30.020 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.767 2.859 30.910 1.00 0.00 C ATOM 1465 C HIS A 43 -9.775 3.302 32.376 1.00 0.00 C ATOM 1466 O HIS A 43 -10.683 2.975 33.113 1.00 0.00 O ATOM 1467 CB HIS A 43 -9.051 1.517 30.781 1.00 0.00 C ATOM 1468 CG HIS A 43 -9.253 1.011 29.382 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.585 1.561 28.300 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -10.071 0.037 28.864 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -9.010 0.923 27.194 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.915 -0.017 27.481 1.00 0.00 N ATOM 0 H HIS A 43 -8.064 3.764 29.982 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.808 2.779 30.596 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.988 1.631 30.994 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.447 0.804 31.504 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.896 2.313 28.335 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.734 -0.591 29.441 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.662 1.144 26.196 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.799 4.044 32.823 1.00 0.00 N ATOM 1481 CA GLY A 44 -8.809 4.486 34.247 1.00 0.00 C ATOM 1482 C GLY A 44 -8.477 3.321 35.187 1.00 0.00 C ATOM 1483 O GLY A 44 -8.591 3.445 36.390 1.00 0.00 O ATOM 0 H GLY A 44 -8.002 4.361 32.271 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.085 5.289 34.387 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.789 4.893 34.498 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.066 2.194 34.662 1.00 0.00 N ATOM 1488 CA VAL A 45 -7.726 1.032 35.543 1.00 0.00 C ATOM 1489 C VAL A 45 -6.478 0.328 35.010 1.00 0.00 C ATOM 1490 O VAL A 45 -6.283 0.193 33.819 1.00 0.00 O ATOM 1491 CB VAL A 45 -8.889 0.038 35.579 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.021 0.603 36.439 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.405 -0.204 34.159 1.00 0.00 C ATOM 0 H VAL A 45 -7.951 2.027 33.662 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.538 1.401 36.551 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.542 -0.903 36.005 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.848 -0.106 36.463 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.658 0.772 37.453 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.364 1.546 36.014 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.233 -0.912 34.189 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.748 0.738 33.731 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.602 -0.610 33.544 1.00 0.00 H new ATOM 1503 N VAL A 46 -5.631 -0.113 35.896 1.00 0.00 N ATOM 1504 CA VAL A 46 -4.382 -0.803 35.471 1.00 0.00 C ATOM 1505 C VAL A 46 -4.721 -2.019 34.605 1.00 0.00 C ATOM 1506 O VAL A 46 -5.721 -2.679 34.803 1.00 0.00 O ATOM 1507 CB VAL A 46 -3.605 -1.252 36.710 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -3.217 -0.023 37.536 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -4.480 -2.175 37.561 1.00 0.00 C ATOM 0 H VAL A 46 -5.751 -0.024 36.905 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.772 -0.114 34.887 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.708 -1.788 36.400 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.663 -0.339 38.420 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.593 0.638 36.934 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.118 0.508 37.843 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.923 -2.493 38.443 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.378 -1.641 37.872 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.763 -3.050 36.976 1.00 0.00 H new ATOM 1519 N ARG A 47 -3.881 -2.313 33.644 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.110 -3.482 32.738 1.00 0.00 C ATOM 1521 C ARG A 47 -2.860 -4.374 32.775 1.00 0.00 C ATOM 1522 O ARG A 47 -1.758 -3.867 32.723 1.00 0.00 O ATOM 1523 CB ARG A 47 -4.324 -2.969 31.308 1.00 0.00 C ATOM 1524 CG ARG A 47 -4.907 -4.090 30.439 1.00 0.00 C ATOM 1525 CD ARG A 47 -5.257 -3.571 29.030 1.00 0.00 C ATOM 1526 NE ARG A 47 -6.634 -4.026 28.659 1.00 0.00 N ATOM 1527 CZ ARG A 47 -6.998 -5.271 28.811 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -6.124 -6.171 29.165 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -8.235 -5.621 28.583 1.00 0.00 N ATOM 0 H ARG A 47 -3.032 -1.784 33.446 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.985 -4.048 33.058 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.999 -2.113 31.316 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.378 -2.625 30.889 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.189 -4.906 30.362 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.801 -4.496 30.913 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.204 -2.483 29.008 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.532 -3.940 28.304 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.300 -3.352 28.281 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.153 -5.904 29.324 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.412 -7.143 29.283 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.916 -4.922 28.286 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.520 -6.593 28.701 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.001 -5.681 32.870 1.00 0.00 N ATOM 1544 CA PRO A 48 -1.830 -6.599 32.913 1.00 0.00 C ATOM 1545 C PRO A 48 -0.675 -6.107 32.037 1.00 0.00 C ATOM 1546 O PRO A 48 -0.702 -6.214 30.827 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.403 -7.913 32.390 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.825 -7.916 32.860 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.265 -6.443 32.946 1.00 0.00 C ATOM 0 HA PRO A 48 -1.399 -6.680 33.911 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.344 -7.967 31.303 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.854 -8.769 32.782 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.460 -8.470 32.169 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.911 -8.403 33.831 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.938 -6.180 32.130 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.797 -6.240 33.875 1.00 0.00 H new ATOM 1557 N LEU A 49 0.340 -5.571 32.653 1.00 0.00 N ATOM 1558 CA LEU A 49 1.507 -5.068 31.879 1.00 0.00 C ATOM 1559 C LEU A 49 2.097 -6.224 31.070 1.00 0.00 C ATOM 1560 O LEU A 49 2.936 -6.034 30.212 1.00 0.00 O ATOM 1561 CB LEU A 49 2.557 -4.527 32.850 1.00 0.00 C ATOM 1562 CG LEU A 49 1.906 -3.508 33.791 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.955 -2.998 34.783 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.340 -2.328 32.983 1.00 0.00 C ATOM 0 H LEU A 49 0.412 -5.459 33.664 1.00 0.00 H new ATOM 0 HA LEU A 49 1.196 -4.270 31.204 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.991 -5.345 33.426 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.372 -4.059 32.298 1.00 0.00 H new ATOM 0 HG LEU A 49 1.090 -3.987 34.332 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.497 -2.272 35.455 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.345 -3.835 35.363 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.771 -2.523 34.238 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.880 -1.610 33.662 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.147 -1.843 32.434 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.592 -2.694 32.280 1.00 0.00 H new ATOM 1576 N SER A 50 1.664 -7.421 31.348 1.00 0.00 N ATOM 1577 CA SER A 50 2.196 -8.600 30.610 1.00 0.00 C ATOM 1578 C SER A 50 1.904 -8.441 29.116 1.00 0.00 C ATOM 1579 O SER A 50 2.431 -9.163 28.293 1.00 0.00 O ATOM 1580 CB SER A 50 1.522 -9.872 31.128 1.00 0.00 C ATOM 1581 OG SER A 50 1.869 -10.063 32.494 1.00 0.00 O ATOM 0 H SER A 50 0.962 -7.635 32.057 1.00 0.00 H new ATOM 0 HA SER A 50 3.273 -8.670 30.765 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.440 -9.793 31.023 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.838 -10.732 30.537 1.00 0.00 H new ATOM 0 HG SER A 50 1.438 -10.876 32.830 1.00 0.00 H new ATOM 1587 N LEU A 51 1.082 -7.494 28.755 1.00 0.00 N ATOM 1588 CA LEU A 51 0.781 -7.288 27.309 1.00 0.00 C ATOM 1589 C LEU A 51 1.954 -6.551 26.672 1.00 0.00 C ATOM 1590 O LEU A 51 2.355 -6.830 25.559 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.465 -6.416 27.153 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.655 -7.042 27.885 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.722 -5.968 28.105 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.254 -8.177 27.048 1.00 0.00 C ATOM 0 H LEU A 51 0.608 -6.857 29.395 1.00 0.00 H new ATOM 0 HA LEU A 51 0.616 -8.255 26.834 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.270 -5.420 27.550 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.703 -6.297 26.096 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.317 -7.444 28.840 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.575 -6.404 28.626 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.305 -5.159 28.704 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.047 -5.576 27.142 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.099 -8.614 27.579 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.592 -7.783 26.090 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.497 -8.943 26.879 1.00 0.00 H new ATOM 1606 N LYS A 52 2.499 -5.598 27.374 1.00 0.00 N ATOM 1607 CA LYS A 52 3.641 -4.816 26.829 1.00 0.00 C ATOM 1608 C LYS A 52 4.686 -5.757 26.233 1.00 0.00 C ATOM 1609 O LYS A 52 4.776 -6.917 26.585 1.00 0.00 O ATOM 1610 CB LYS A 52 4.271 -3.991 27.957 1.00 0.00 C ATOM 1611 CG LYS A 52 5.388 -3.076 27.406 1.00 0.00 C ATOM 1612 CD LYS A 52 6.771 -3.707 27.639 1.00 0.00 C ATOM 1613 CE LYS A 52 7.256 -3.393 29.057 1.00 0.00 C ATOM 1614 NZ LYS A 52 8.441 -4.238 29.376 1.00 0.00 N ATOM 0 H LYS A 52 2.199 -5.326 28.310 1.00 0.00 H new ATOM 0 HA LYS A 52 3.280 -4.151 26.044 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.505 -3.386 28.443 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.681 -4.657 28.716 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.234 -2.908 26.340 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.340 -2.102 27.893 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.717 -4.786 27.495 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.483 -3.323 26.909 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.516 -2.338 29.138 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.458 -3.581 29.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.770 -4.025 30.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.178 -5.242 29.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.203 -4.038 28.697 1.00 0.00 H new ATOM 1628 N THR A 53 5.494 -5.248 25.345 1.00 0.00 N ATOM 1629 CA THR A 53 6.566 -6.071 24.721 1.00 0.00 C ATOM 1630 C THR A 53 7.747 -5.158 24.394 1.00 0.00 C ATOM 1631 O THR A 53 7.643 -3.950 24.477 1.00 0.00 O ATOM 1632 CB THR A 53 6.041 -6.721 23.442 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.133 -7.223 22.688 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.267 -5.690 22.618 1.00 0.00 C ATOM 0 H THR A 53 5.456 -4.282 25.021 1.00 0.00 H new ATOM 0 HA THR A 53 6.882 -6.857 25.407 1.00 0.00 H new ATOM 0 HB THR A 53 5.372 -7.542 23.698 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.893 -8.091 22.302 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.894 -6.158 21.707 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.427 -5.314 23.202 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.927 -4.863 22.357 1.00 0.00 H new ATOM 1642 N ASP A 54 8.874 -5.713 24.040 1.00 0.00 N ATOM 1643 CA ASP A 54 10.065 -4.864 23.731 1.00 0.00 C ATOM 1644 C ASP A 54 10.161 -4.633 22.220 1.00 0.00 C ATOM 1645 O ASP A 54 11.136 -4.100 21.729 1.00 0.00 O ATOM 1646 CB ASP A 54 11.330 -5.578 24.211 1.00 0.00 C ATOM 1647 CG ASP A 54 11.363 -5.590 25.740 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.969 -4.596 26.330 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.786 -6.590 26.296 1.00 0.00 O ATOM 0 H ASP A 54 9.024 -6.718 23.951 1.00 0.00 H new ATOM 0 HA ASP A 54 9.964 -3.904 24.237 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.351 -6.599 23.829 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.214 -5.073 23.822 1.00 0.00 H new ATOM 1654 N VAL A 55 9.152 -5.022 21.484 1.00 0.00 N ATOM 1655 CA VAL A 55 9.158 -4.829 20.002 1.00 0.00 C ATOM 1656 C VAL A 55 7.852 -4.137 19.599 1.00 0.00 C ATOM 1657 O VAL A 55 6.808 -4.399 20.164 1.00 0.00 O ATOM 1658 CB VAL A 55 9.272 -6.195 19.316 1.00 0.00 C ATOM 1659 CG1 VAL A 55 7.959 -6.975 19.458 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.600 -6.001 17.832 1.00 0.00 C ATOM 0 H VAL A 55 8.313 -5.471 21.852 1.00 0.00 H new ATOM 0 HA VAL A 55 10.005 -4.214 19.698 1.00 0.00 H new ATOM 0 HB VAL A 55 10.071 -6.763 19.794 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.056 -7.943 18.966 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.738 -7.126 20.515 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.149 -6.412 18.995 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.680 -6.974 17.347 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.807 -5.423 17.357 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.546 -5.468 17.735 1.00 0.00 H new ATOM 1670 N ILE A 56 7.903 -3.254 18.634 1.00 0.00 N ATOM 1671 CA ILE A 56 6.669 -2.533 18.189 1.00 0.00 C ATOM 1672 C ILE A 56 6.360 -2.932 16.745 1.00 0.00 C ATOM 1673 O ILE A 56 7.240 -2.983 15.909 1.00 0.00 O ATOM 1674 CB ILE A 56 6.903 -1.020 18.246 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.383 -0.621 19.644 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.586 -0.296 17.950 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.867 0.831 19.617 1.00 0.00 C ATOM 0 H ILE A 56 8.753 -2.999 18.131 1.00 0.00 H new ATOM 0 HA ILE A 56 5.837 -2.796 18.843 1.00 0.00 H new ATOM 0 HB ILE A 56 7.658 -0.745 17.509 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.573 -0.733 20.365 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.190 -1.279 19.966 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.746 0.781 17.989 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.233 -0.574 16.957 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.840 -0.579 18.693 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.210 1.119 20.611 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.689 0.927 18.908 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.047 1.482 19.313 1.00 0.00 H new ATOM 1689 N LYS A 57 5.125 -3.217 16.439 1.00 0.00 N ATOM 1690 CA LYS A 57 4.787 -3.612 15.042 1.00 0.00 C ATOM 1691 C LYS A 57 4.700 -2.351 14.181 1.00 0.00 C ATOM 1692 O LYS A 57 4.028 -1.399 14.524 1.00 0.00 O ATOM 1693 CB LYS A 57 3.444 -4.347 15.033 1.00 0.00 C ATOM 1694 CG LYS A 57 3.154 -4.880 13.628 1.00 0.00 C ATOM 1695 CD LYS A 57 1.813 -5.622 13.629 1.00 0.00 C ATOM 1696 CE LYS A 57 1.527 -6.181 12.233 1.00 0.00 C ATOM 1697 NZ LYS A 57 1.008 -5.093 11.358 1.00 0.00 N ATOM 0 H LYS A 57 4.340 -3.194 17.090 1.00 0.00 H new ATOM 0 HA LYS A 57 5.555 -4.274 14.642 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.465 -5.170 15.747 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.648 -3.672 15.347 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.126 -4.057 12.914 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.952 -5.550 13.310 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.836 -6.433 14.357 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.013 -4.946 13.930 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.436 -6.603 11.806 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.799 -6.990 12.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.814 -5.473 10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.130 -4.710 11.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.717 -4.335 11.289 1.00 0.00 H new ATOM 1711 N LYS A 58 5.375 -2.335 13.060 1.00 0.00 N ATOM 1712 CA LYS A 58 5.327 -1.132 12.179 1.00 0.00 C ATOM 1713 C LYS A 58 4.084 -1.197 11.290 1.00 0.00 C ATOM 1714 O LYS A 58 3.870 -2.154 10.572 1.00 0.00 O ATOM 1715 CB LYS A 58 6.588 -1.066 11.312 1.00 0.00 C ATOM 1716 CG LYS A 58 7.794 -0.723 12.193 1.00 0.00 C ATOM 1717 CD LYS A 58 9.038 -0.492 11.325 1.00 0.00 C ATOM 1718 CE LYS A 58 9.596 -1.823 10.809 1.00 0.00 C ATOM 1719 NZ LYS A 58 9.733 -2.790 11.935 1.00 0.00 N ATOM 0 H LYS A 58 5.955 -3.101 12.718 1.00 0.00 H new ATOM 0 HA LYS A 58 5.279 -0.236 12.798 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.749 -2.021 10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.468 -0.314 10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.581 0.170 12.781 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.980 -1.533 12.899 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.785 0.152 10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.801 0.027 11.905 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.934 -2.233 10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.565 -1.662 10.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.453 -3.501 11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.020 -2.282 12.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.821 -3.262 12.100 1.00 0.00 H new ATOM 1733 N ARG A 59 3.250 -0.192 11.359 1.00 0.00 N ATOM 1734 CA ARG A 59 1.994 -0.178 10.555 1.00 0.00 C ATOM 1735 C ARG A 59 2.183 0.729 9.334 1.00 0.00 C ATOM 1736 O ARG A 59 3.257 1.245 9.098 1.00 0.00 O ATOM 1737 CB ARG A 59 0.862 0.341 11.444 1.00 0.00 C ATOM 1738 CG ARG A 59 0.605 -0.684 12.554 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.465 -0.173 13.521 1.00 0.00 C ATOM 1740 NE ARG A 59 -0.668 -1.189 14.595 1.00 0.00 N ATOM 1741 CZ ARG A 59 -1.313 -0.880 15.687 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -1.847 0.303 15.826 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -1.433 -1.765 16.639 1.00 0.00 N ATOM 0 H ARG A 59 3.389 0.630 11.947 1.00 0.00 H new ATOM 0 HA ARG A 59 1.749 -1.180 10.203 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.131 1.306 11.874 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.042 0.495 10.855 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.286 -1.630 12.116 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.530 -0.880 13.097 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.158 0.779 13.955 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.400 0.006 12.989 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.300 -2.133 14.475 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.762 0.992 15.079 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.350 0.538 16.682 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.024 -2.693 16.528 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.936 -1.529 17.494 1.00 0.00 H new ATOM 1757 N ASN A 60 1.171 0.881 8.521 1.00 0.00 N ATOM 1758 CA ASN A 60 1.328 1.700 7.282 1.00 0.00 C ATOM 1759 C ASN A 60 1.314 3.198 7.597 1.00 0.00 C ATOM 1760 O ASN A 60 1.263 3.613 8.737 1.00 0.00 O ATOM 1761 CB ASN A 60 0.201 1.372 6.296 1.00 0.00 C ATOM 1762 CG ASN A 60 -1.132 1.917 6.814 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -1.200 2.472 7.892 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -2.204 1.783 6.079 1.00 0.00 N ATOM 0 H ASN A 60 0.246 0.475 8.660 1.00 0.00 H new ATOM 0 HA ASN A 60 2.292 1.455 6.837 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.424 1.804 5.321 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.132 0.293 6.158 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.098 2.145 6.411 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.147 1.317 5.174 1.00 0.00 H new