USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=16 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 159:sc= 0.716 USER MOD Set 1.2: A 15 CYS SG : rot -63:sc= 0.0631 USER MOD Set 1.3: A 17 THR OG1 : rot 93:sc= 0.685! USER MOD Set 1.4: A 33 CYS SG : rot -134:sc= 1.07 USER MOD Set 1.5: A 34 ASN : amide:sc= -2.62! C(o=2.1!,f=-8.5!) USER MOD Set 1.6: A 36 CYS SG : rot 84:sc= 0.213 USER MOD Set 1.7: A 52 LYS NZ :NH3+ -144:sc= 2.02 (180deg=0.422) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.00807 USER MOD Set 2.2: A 30 GLN : amide:sc= 0 K(o=0.0081,f=-0.9) USER MOD Single : A 11 THR OG1 : rot 34:sc= 0.0879 USER MOD Single : A 14 ASN : amide:sc= -4.25! C(o=-4.2!,f=-3.7!) USER MOD Single : A 18 GLN : amide:sc=-0.000354 K(o=-0.00035,f=-1.3) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -131:sc= 1.02 USER MOD Single : A 26 ASN : amide:sc= -1.85 K(o=-1.8,f=-12!) USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.203) USER MOD Single : A 43 HIS : no HE2:sc= -6.66! C(o=-6.7!,f=-12!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -143:sc= 0.202 USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0737) USER MOD Single : A 58 LYS NZ :NH3+ -116:sc= -1.59 (180deg=-3.9!) USER MOD Single : A 60 ASN : amide:sc= -0.626 K(o=-0.63,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.471 7.156 31.546 1.00 0.00 N ATOM 971 CA THR A 11 11.094 5.712 31.629 1.00 0.00 C ATOM 972 C THR A 11 9.597 5.606 31.925 1.00 0.00 C ATOM 973 O THR A 11 9.067 6.323 32.751 1.00 0.00 O ATOM 974 CB THR A 11 11.893 5.053 32.756 1.00 0.00 C ATOM 975 OG1 THR A 11 13.278 5.127 32.451 1.00 0.00 O ATOM 976 CG2 THR A 11 11.474 3.589 32.897 1.00 0.00 C ATOM 0 HA THR A 11 11.314 5.210 30.687 1.00 0.00 H new ATOM 0 HB THR A 11 11.697 5.572 33.694 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.462 5.957 31.963 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.045 3.123 33.700 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.410 3.536 33.129 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.668 3.063 31.962 1.00 0.00 H new ATOM 984 N CYS A 12 8.906 4.724 31.253 1.00 0.00 N ATOM 985 CA CYS A 12 7.443 4.584 31.496 1.00 0.00 C ATOM 986 C CYS A 12 7.205 4.022 32.898 1.00 0.00 C ATOM 987 O CYS A 12 7.458 2.864 33.168 1.00 0.00 O ATOM 988 CB CYS A 12 6.844 3.641 30.452 1.00 0.00 C ATOM 989 SG CYS A 12 5.046 3.842 30.423 1.00 0.00 S ATOM 0 H CYS A 12 9.292 4.096 30.548 1.00 0.00 H new ATOM 0 HA CYS A 12 6.966 5.561 31.418 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.261 3.857 29.468 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.102 2.609 30.688 1.00 0.00 H new ATOM 0 HG CYS A 12 4.579 3.411 29.289 1.00 0.00 H new ATOM 994 N THR A 13 6.724 4.841 33.791 1.00 0.00 N ATOM 995 CA THR A 13 6.478 4.377 35.183 1.00 0.00 C ATOM 996 C THR A 13 5.394 3.297 35.207 1.00 0.00 C ATOM 997 O THR A 13 5.171 2.670 36.223 1.00 0.00 O ATOM 998 CB THR A 13 6.026 5.564 36.042 1.00 0.00 C ATOM 999 OG1 THR A 13 5.007 6.281 35.359 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.212 6.493 36.320 1.00 0.00 C ATOM 0 H THR A 13 6.490 5.818 33.614 1.00 0.00 H new ATOM 0 HA THR A 13 7.402 3.957 35.580 1.00 0.00 H new ATOM 0 HB THR A 13 5.638 5.192 36.990 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.716 7.039 35.908 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.881 7.333 36.931 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.989 5.942 36.851 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.611 6.865 35.377 1.00 0.00 H new ATOM 1008 N ASN A 14 4.709 3.070 34.113 1.00 0.00 N ATOM 1009 CA ASN A 14 3.635 2.029 34.106 1.00 0.00 C ATOM 1010 C ASN A 14 4.130 0.724 33.477 1.00 0.00 C ATOM 1011 O ASN A 14 3.647 -0.335 33.824 1.00 0.00 O ATOM 1012 CB ASN A 14 2.435 2.528 33.299 1.00 0.00 C ATOM 1013 CG ASN A 14 1.733 3.657 34.054 1.00 0.00 C ATOM 1014 OD1 ASN A 14 1.986 3.872 35.223 1.00 0.00 O ATOM 1015 ND2 ASN A 14 0.836 4.376 33.436 1.00 0.00 N ATOM 0 H ASN A 14 4.846 3.558 33.228 1.00 0.00 H new ATOM 0 HA ASN A 14 3.350 1.841 35.141 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.765 2.882 32.322 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.738 1.709 33.123 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.346 5.119 33.934 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.625 4.195 32.455 1.00 0.00 H new ATOM 1022 N CYS A 15 5.045 0.767 32.534 1.00 0.00 N ATOM 1023 CA CYS A 15 5.489 -0.512 31.888 1.00 0.00 C ATOM 1024 C CYS A 15 7.000 -0.529 31.606 1.00 0.00 C ATOM 1025 O CYS A 15 7.491 -1.417 30.939 1.00 0.00 O ATOM 1026 CB CYS A 15 4.698 -0.701 30.588 1.00 0.00 C ATOM 1027 SG CYS A 15 5.415 0.295 29.254 1.00 0.00 S ATOM 0 H CYS A 15 5.496 1.615 32.189 1.00 0.00 H new ATOM 0 HA CYS A 15 5.293 -1.335 32.576 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.700 -1.754 30.305 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.658 -0.415 30.744 1.00 0.00 H new ATOM 0 HG CYS A 15 5.335 1.555 29.562 1.00 0.00 H new ATOM 1032 N PHE A 16 7.746 0.407 32.130 1.00 0.00 N ATOM 1033 CA PHE A 16 9.231 0.415 31.930 1.00 0.00 C ATOM 1034 C PHE A 16 9.625 0.478 30.446 1.00 0.00 C ATOM 1035 O PHE A 16 10.793 0.404 30.120 1.00 0.00 O ATOM 1036 CB PHE A 16 9.850 -0.837 32.564 1.00 0.00 C ATOM 1037 CG PHE A 16 9.471 -0.918 34.026 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.116 -0.102 34.965 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.477 -1.811 34.445 1.00 0.00 C ATOM 1040 CE1 PHE A 16 9.766 -0.178 36.318 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.128 -1.888 35.800 1.00 0.00 C ATOM 1042 CZ PHE A 16 8.773 -1.072 36.736 1.00 0.00 C ATOM 0 H PHE A 16 7.388 1.177 32.695 1.00 0.00 H new ATOM 0 HA PHE A 16 9.613 1.315 32.413 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.505 -1.728 32.040 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.935 -0.808 32.462 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.884 0.586 34.644 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.979 -2.441 33.723 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.262 0.453 37.040 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.361 -2.577 36.122 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.505 -1.132 37.780 1.00 0.00 H new ATOM 1052 N THR A 17 8.695 0.600 29.538 1.00 0.00 N ATOM 1053 CA THR A 17 9.086 0.646 28.094 1.00 0.00 C ATOM 1054 C THR A 17 10.014 1.842 27.847 1.00 0.00 C ATOM 1055 O THR A 17 9.734 2.953 28.253 1.00 0.00 O ATOM 1056 CB THR A 17 7.824 0.783 27.234 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.090 -0.433 27.280 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.203 1.096 25.783 1.00 0.00 C ATOM 0 H THR A 17 7.695 0.669 29.726 1.00 0.00 H new ATOM 0 HA THR A 17 9.611 -0.272 27.828 1.00 0.00 H new ATOM 0 HB THR A 17 7.214 1.598 27.623 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.419 -0.383 27.992 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.298 1.191 25.183 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.762 2.031 25.747 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.819 0.289 25.386 1.00 0.00 H new ATOM 1066 N GLN A 18 11.128 1.611 27.196 1.00 0.00 N ATOM 1067 CA GLN A 18 12.104 2.713 26.922 1.00 0.00 C ATOM 1068 C GLN A 18 12.029 3.144 25.454 1.00 0.00 C ATOM 1069 O GLN A 18 12.572 4.162 25.074 1.00 0.00 O ATOM 1070 CB GLN A 18 13.516 2.206 27.214 1.00 0.00 C ATOM 1071 CG GLN A 18 13.654 1.918 28.709 1.00 0.00 C ATOM 1072 CD GLN A 18 15.045 1.345 28.991 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.658 0.754 28.125 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.571 1.497 30.175 1.00 0.00 N ATOM 0 H GLN A 18 11.406 0.697 26.839 1.00 0.00 H new ATOM 0 HA GLN A 18 11.862 3.566 27.556 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.716 1.302 26.639 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.252 2.949 26.906 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.503 2.833 29.282 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.887 1.212 29.027 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.056 1.993 30.902 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.497 1.119 30.374 1.00 0.00 H new ATOM 1083 N THR A 19 11.371 2.374 24.624 1.00 0.00 N ATOM 1084 CA THR A 19 11.270 2.723 23.171 1.00 0.00 C ATOM 1085 C THR A 19 9.825 3.106 22.840 1.00 0.00 C ATOM 1086 O THR A 19 8.895 2.399 23.173 1.00 0.00 O ATOM 1087 CB THR A 19 11.682 1.504 22.339 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.989 1.099 22.721 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.679 1.862 20.851 1.00 0.00 C ATOM 0 H THR A 19 10.896 1.512 24.891 1.00 0.00 H new ATOM 0 HA THR A 19 11.926 3.563 22.943 1.00 0.00 H new ATOM 0 HB THR A 19 10.975 0.693 22.514 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.257 0.318 22.193 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.973 0.990 20.266 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.679 2.177 20.555 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.383 2.674 20.671 1.00 0.00 H new ATOM 1097 N THR A 20 9.628 4.224 22.192 1.00 0.00 N ATOM 1098 CA THR A 20 8.241 4.648 21.850 1.00 0.00 C ATOM 1099 C THR A 20 8.282 5.744 20.776 1.00 0.00 C ATOM 1100 O THR A 20 9.201 6.537 20.740 1.00 0.00 O ATOM 1101 CB THR A 20 7.564 5.211 23.105 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.424 5.971 22.728 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.543 6.112 23.867 1.00 0.00 C ATOM 0 H THR A 20 10.365 4.859 21.886 1.00 0.00 H new ATOM 0 HA THR A 20 7.685 3.789 21.474 1.00 0.00 H new ATOM 0 HB THR A 20 7.260 4.385 23.747 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.446 6.840 23.180 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.055 6.508 24.757 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.418 5.532 24.161 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.853 6.937 23.226 1.00 0.00 H new ATOM 1111 N PRO A 21 7.289 5.812 19.920 1.00 0.00 N ATOM 1112 CA PRO A 21 7.226 6.857 18.858 1.00 0.00 C ATOM 1113 C PRO A 21 6.994 8.238 19.476 1.00 0.00 C ATOM 1114 O PRO A 21 7.261 9.260 18.877 1.00 0.00 O ATOM 1115 CB PRO A 21 6.042 6.424 17.982 1.00 0.00 C ATOM 1116 CG PRO A 21 5.176 5.604 18.883 1.00 0.00 C ATOM 1117 CD PRO A 21 6.123 4.913 19.866 1.00 0.00 C ATOM 0 HA PRO A 21 8.150 6.942 18.286 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.502 7.287 17.593 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.378 5.844 17.122 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.457 6.231 19.410 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.603 4.872 18.313 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.664 4.794 20.847 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.401 3.917 19.521 1.00 0.00 H new ATOM 1125 N VAL A 22 6.486 8.263 20.678 1.00 0.00 N ATOM 1126 CA VAL A 22 6.223 9.562 21.354 1.00 0.00 C ATOM 1127 C VAL A 22 5.993 9.327 22.847 1.00 0.00 C ATOM 1128 O VAL A 22 5.444 8.322 23.254 1.00 0.00 O ATOM 1129 CB VAL A 22 4.986 10.213 20.738 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.782 9.284 20.906 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.714 11.541 21.444 1.00 0.00 C ATOM 0 H VAL A 22 6.241 7.435 21.222 1.00 0.00 H new ATOM 0 HA VAL A 22 7.082 10.220 21.224 1.00 0.00 H new ATOM 0 HB VAL A 22 5.155 10.392 19.676 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.900 9.749 20.466 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.981 8.337 20.405 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.607 9.104 21.967 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.832 12.011 21.009 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.542 11.360 22.505 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.573 12.200 21.322 1.00 0.00 H new ATOM 1141 N TRP A 23 6.428 10.245 23.665 1.00 0.00 N ATOM 1142 CA TRP A 23 6.262 10.084 25.139 1.00 0.00 C ATOM 1143 C TRP A 23 4.955 10.723 25.609 1.00 0.00 C ATOM 1144 O TRP A 23 4.695 11.890 25.384 1.00 0.00 O ATOM 1145 CB TRP A 23 7.449 10.741 25.854 1.00 0.00 C ATOM 1146 CG TRP A 23 8.645 9.856 25.720 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.712 10.089 24.922 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.898 8.585 26.380 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.608 9.044 25.057 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.150 8.090 25.946 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.167 7.825 27.308 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.657 6.878 26.418 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.673 6.608 27.784 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.913 6.135 27.340 1.00 0.00 C ATOM 0 H TRP A 23 6.894 11.105 23.375 1.00 0.00 H new ATOM 0 HA TRP A 23 6.228 9.021 25.378 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.654 11.720 25.422 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.214 10.900 26.906 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.843 10.950 24.284 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.498 8.985 24.561 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.209 8.181 27.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.615 6.517 26.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.103 6.032 28.498 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.296 5.195 27.710 1.00 0.00 H new ATOM 1165 N ARG A 24 4.143 9.957 26.289 1.00 0.00 N ATOM 1166 CA ARG A 24 2.852 10.480 26.821 1.00 0.00 C ATOM 1167 C ARG A 24 3.054 10.802 28.302 1.00 0.00 C ATOM 1168 O ARG A 24 4.044 10.423 28.895 1.00 0.00 O ATOM 1169 CB ARG A 24 1.763 9.409 26.686 1.00 0.00 C ATOM 1170 CG ARG A 24 1.509 9.070 25.209 1.00 0.00 C ATOM 1171 CD ARG A 24 0.591 10.113 24.563 1.00 0.00 C ATOM 1172 NE ARG A 24 0.330 9.735 23.144 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.682 10.254 22.503 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.539 11.010 23.133 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.854 9.995 21.236 1.00 0.00 N ATOM 0 H ARG A 24 4.324 8.976 26.501 1.00 0.00 H new ATOM 0 HA ARG A 24 2.547 11.368 26.267 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.063 8.509 27.224 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.840 9.762 27.146 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.457 9.030 24.672 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.056 8.082 25.130 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.348 10.176 25.112 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.054 11.099 24.609 1.00 0.00 H new ATOM 0 HE ARG A 24 0.943 9.070 22.673 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.419 11.197 24.129 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.329 11.414 22.630 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.198 9.387 20.746 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.645 10.401 20.735 1.00 0.00 H new ATOM 1189 N ARG A 25 2.129 11.494 28.907 1.00 0.00 N ATOM 1190 CA ARG A 25 2.275 11.836 30.354 1.00 0.00 C ATOM 1191 C ARG A 25 0.904 11.828 31.024 1.00 0.00 C ATOM 1192 O ARG A 25 -0.118 11.739 30.373 1.00 0.00 O ATOM 1193 CB ARG A 25 2.919 13.217 30.505 1.00 0.00 C ATOM 1194 CG ARG A 25 2.135 14.253 29.696 1.00 0.00 C ATOM 1195 CD ARG A 25 2.987 15.510 29.521 1.00 0.00 C ATOM 1196 NE ARG A 25 3.221 16.150 30.845 1.00 0.00 N ATOM 1197 CZ ARG A 25 4.156 17.050 30.969 1.00 0.00 C ATOM 1198 NH1 ARG A 25 4.889 17.366 29.936 1.00 0.00 N ATOM 1199 NH2 ARG A 25 4.360 17.631 32.119 1.00 0.00 N ATOM 0 H ARG A 25 1.277 11.839 28.464 1.00 0.00 H new ATOM 0 HA ARG A 25 2.914 11.094 30.833 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.940 13.504 31.556 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.954 13.184 30.163 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.867 13.843 28.722 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.203 14.500 30.205 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.940 15.253 29.058 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.486 16.210 28.852 1.00 0.00 H new ATOM 0 HE ARG A 25 2.653 15.886 31.650 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.729 16.910 29.038 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.622 18.069 30.027 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.787 17.382 32.925 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.093 18.335 32.212 1.00 0.00 H new ATOM 1213 N ASN A 26 0.884 11.911 32.329 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.403 11.899 33.087 1.00 0.00 C ATOM 1215 C ASN A 26 -0.528 13.228 33.849 1.00 0.00 C ATOM 1216 O ASN A 26 0.468 13.769 34.281 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.352 10.726 34.076 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.450 10.854 35.132 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.438 11.768 35.933 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.406 9.966 35.168 1.00 0.00 N ATOM 0 H ASN A 26 1.718 11.988 32.911 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.259 11.785 32.422 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.468 9.786 33.537 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.623 10.697 34.562 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.144 10.039 35.869 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.415 9.199 34.495 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.722 13.761 34.014 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.936 15.045 34.752 1.00 0.00 C ATOM 1229 C PRO A 27 -1.118 15.172 36.048 1.00 0.00 C ATOM 1230 O PRO A 27 -1.149 16.198 36.697 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.433 15.026 35.073 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.053 14.252 33.958 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.005 13.227 33.504 1.00 0.00 C ATOM 0 HA PRO A 27 -1.610 15.893 34.150 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.625 14.554 36.037 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.839 16.036 35.127 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.964 13.754 34.291 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.332 14.911 33.136 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.214 12.238 33.912 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.991 13.128 32.419 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.366 14.166 36.421 1.00 0.00 N ATOM 1242 CA GLU A 28 0.469 14.262 37.657 1.00 0.00 C ATOM 1243 C GLU A 28 1.908 14.587 37.252 1.00 0.00 C ATOM 1244 O GLU A 28 2.775 14.776 38.081 1.00 0.00 O ATOM 1245 CB GLU A 28 0.428 12.927 38.408 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.965 12.722 39.010 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.195 13.746 40.124 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -0.216 14.250 40.649 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.346 14.012 40.430 1.00 0.00 O ATOM 0 H GLU A 28 -0.295 13.280 35.921 1.00 0.00 H new ATOM 0 HA GLU A 28 0.084 15.046 38.309 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.666 12.108 37.729 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.181 12.918 39.196 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.726 12.832 38.238 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.056 11.711 39.406 1.00 0.00 H new ATOM 1256 N GLY A 29 2.158 14.659 35.972 1.00 0.00 N ATOM 1257 CA GLY A 29 3.530 14.979 35.479 1.00 0.00 C ATOM 1258 C GLY A 29 4.376 13.709 35.381 1.00 0.00 C ATOM 1259 O GLY A 29 5.569 13.769 35.157 1.00 0.00 O ATOM 0 H GLY A 29 1.464 14.508 35.240 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.469 15.458 34.502 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.008 15.690 36.153 1.00 0.00 H new ATOM 1263 N GLN A 30 3.780 12.558 35.531 1.00 0.00 N ATOM 1264 CA GLN A 30 4.568 11.296 35.428 1.00 0.00 C ATOM 1265 C GLN A 30 4.719 10.923 33.943 1.00 0.00 C ATOM 1266 O GLN A 30 3.802 11.112 33.169 1.00 0.00 O ATOM 1267 CB GLN A 30 3.835 10.184 36.180 1.00 0.00 C ATOM 1268 CG GLN A 30 3.874 10.497 37.677 1.00 0.00 C ATOM 1269 CD GLN A 30 3.142 9.405 38.459 1.00 0.00 C ATOM 1270 OE1 GLN A 30 3.136 8.256 38.062 1.00 0.00 O ATOM 1271 NE2 GLN A 30 2.523 9.718 39.564 1.00 0.00 N ATOM 0 H GLN A 30 2.785 12.436 35.720 1.00 0.00 H new ATOM 0 HA GLN A 30 5.556 11.430 35.868 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.803 10.111 35.836 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.305 9.221 35.983 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.908 10.567 38.015 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.410 11.465 37.867 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.529 10.682 39.896 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.033 8.998 40.096 1.00 0.00 H new ATOM 1280 N PRO A 31 5.855 10.411 33.528 1.00 0.00 N ATOM 1281 CA PRO A 31 6.086 10.036 32.099 1.00 0.00 C ATOM 1282 C PRO A 31 5.438 8.695 31.725 1.00 0.00 C ATOM 1283 O PRO A 31 5.424 7.763 32.501 1.00 0.00 O ATOM 1284 CB PRO A 31 7.610 9.938 32.014 1.00 0.00 C ATOM 1285 CG PRO A 31 8.015 9.456 33.366 1.00 0.00 C ATOM 1286 CD PRO A 31 7.051 10.127 34.350 1.00 0.00 C ATOM 0 HA PRO A 31 5.645 10.757 31.410 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.923 9.245 31.233 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.060 10.903 31.783 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.948 8.370 33.431 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.048 9.725 33.585 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.815 9.472 35.189 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.476 11.040 34.768 1.00 0.00 H new ATOM 1294 N LEU A 32 4.931 8.600 30.523 1.00 0.00 N ATOM 1295 CA LEU A 32 4.299 7.325 30.055 1.00 0.00 C ATOM 1296 C LEU A 32 4.686 7.078 28.597 1.00 0.00 C ATOM 1297 O LEU A 32 4.880 8.004 27.835 1.00 0.00 O ATOM 1298 CB LEU A 32 2.773 7.429 30.130 1.00 0.00 C ATOM 1299 CG LEU A 32 2.308 7.672 31.568 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.808 7.977 31.550 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.554 6.427 32.430 1.00 0.00 C ATOM 0 H LEU A 32 4.927 9.356 29.838 1.00 0.00 H new ATOM 0 HA LEU A 32 4.645 6.511 30.692 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.429 8.242 29.491 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.324 6.512 29.749 1.00 0.00 H new ATOM 0 HG LEU A 32 2.867 8.507 31.990 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.460 8.153 32.568 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.625 8.865 30.945 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.270 7.130 31.124 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.218 6.618 33.449 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.001 5.583 32.017 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.619 6.194 32.437 1.00 0.00 H new ATOM 1313 N CYS A 33 4.771 5.840 28.190 1.00 0.00 N ATOM 1314 CA CYS A 33 5.115 5.556 26.771 1.00 0.00 C ATOM 1315 C CYS A 33 3.887 5.853 25.906 1.00 0.00 C ATOM 1316 O CYS A 33 2.960 6.508 26.340 1.00 0.00 O ATOM 1317 CB CYS A 33 5.567 4.099 26.615 1.00 0.00 C ATOM 1318 SG CYS A 33 4.176 2.968 26.851 1.00 0.00 S ATOM 0 H CYS A 33 4.618 5.019 28.776 1.00 0.00 H new ATOM 0 HA CYS A 33 5.942 6.189 26.449 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.998 3.951 25.625 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.350 3.876 27.340 1.00 0.00 H new ATOM 0 HG CYS A 33 4.537 1.994 27.632 1.00 0.00 H new ATOM 1323 N ASN A 34 3.873 5.409 24.681 1.00 0.00 N ATOM 1324 CA ASN A 34 2.706 5.708 23.802 1.00 0.00 C ATOM 1325 C ASN A 34 1.486 4.852 24.169 1.00 0.00 C ATOM 1326 O ASN A 34 0.383 5.351 24.280 1.00 0.00 O ATOM 1327 CB ASN A 34 3.096 5.443 22.345 1.00 0.00 C ATOM 1328 CG ASN A 34 3.529 3.984 22.179 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.748 3.288 23.150 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.670 3.492 20.978 1.00 0.00 N ATOM 0 H ASN A 34 4.614 4.855 24.251 1.00 0.00 H new ATOM 0 HA ASN A 34 2.434 6.754 23.940 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.253 5.658 21.689 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.907 6.108 22.050 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.964 2.523 20.855 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.486 4.077 20.163 1.00 0.00 H new ATOM 1337 N ALA A 35 1.660 3.569 24.323 1.00 0.00 N ATOM 1338 CA ALA A 35 0.500 2.681 24.638 1.00 0.00 C ATOM 1339 C ALA A 35 -0.126 2.991 26.008 1.00 0.00 C ATOM 1340 O ALA A 35 -1.328 3.136 26.118 1.00 0.00 O ATOM 1341 CB ALA A 35 0.964 1.226 24.600 1.00 0.00 C ATOM 0 H ALA A 35 2.559 3.093 24.244 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.270 2.860 23.888 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.124 0.570 24.829 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.347 0.992 23.607 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.753 1.076 25.337 1.00 0.00 H new ATOM 1347 N CYS A 36 0.651 3.069 27.059 1.00 0.00 N ATOM 1348 CA CYS A 36 0.048 3.340 28.403 1.00 0.00 C ATOM 1349 C CYS A 36 -0.705 4.669 28.385 1.00 0.00 C ATOM 1350 O CYS A 36 -1.789 4.785 28.920 1.00 0.00 O ATOM 1351 CB CYS A 36 1.136 3.422 29.476 1.00 0.00 C ATOM 1352 SG CYS A 36 1.995 1.836 29.628 1.00 0.00 S ATOM 0 H CYS A 36 1.665 2.959 27.048 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.635 2.522 28.632 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.849 4.206 29.220 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.692 3.695 30.433 1.00 0.00 H new ATOM 0 HG CYS A 36 2.923 1.757 28.722 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.139 5.678 27.787 1.00 0.00 N ATOM 1358 CA GLY A 37 -0.831 6.994 27.758 1.00 0.00 C ATOM 1359 C GLY A 37 -2.186 6.841 27.066 1.00 0.00 C ATOM 1360 O GLY A 37 -3.202 7.281 27.565 1.00 0.00 O ATOM 0 H GLY A 37 0.767 5.649 27.320 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.969 7.367 28.773 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.221 7.726 27.229 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.203 6.229 25.916 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.485 6.052 25.177 1.00 0.00 C ATOM 1366 C LEU A 38 -4.411 5.062 25.895 1.00 0.00 C ATOM 1367 O LEU A 38 -5.584 5.316 26.071 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.174 5.510 23.780 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.291 6.503 23.015 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.816 5.852 21.712 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.081 7.783 22.698 1.00 0.00 C ATOM 0 H LEU A 38 -1.381 5.842 25.453 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.989 7.017 25.121 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.668 4.548 23.859 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.101 5.339 23.233 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.431 6.768 23.630 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.187 6.553 21.163 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.243 4.954 21.942 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.680 5.585 21.103 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.442 8.480 22.155 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.948 7.533 22.087 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.413 8.245 23.628 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.908 3.920 26.277 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.778 2.906 26.945 1.00 0.00 C ATOM 1385 C PHE A 39 -5.214 3.364 28.337 1.00 0.00 C ATOM 1386 O PHE A 39 -6.378 3.318 28.682 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.999 1.601 27.099 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.924 0.514 27.596 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.219 0.406 28.962 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.486 -0.392 26.688 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.076 -0.606 29.417 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.339 -1.404 27.142 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.635 -1.511 28.506 1.00 0.00 C ATOM 0 H PHE A 39 -2.934 3.644 26.156 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.664 2.770 26.326 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.562 1.312 26.143 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.174 1.738 27.798 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.786 1.103 29.664 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.261 -0.309 25.635 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.305 -0.688 30.469 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.769 -2.103 26.440 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.294 -2.291 28.856 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.278 3.753 29.153 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.614 4.154 30.547 1.00 0.00 C ATOM 1405 C LEU A 40 -5.584 5.339 30.566 1.00 0.00 C ATOM 1406 O LEU A 40 -6.594 5.306 31.240 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.317 4.535 31.264 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.563 4.708 32.770 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.623 3.341 33.465 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.419 5.525 33.377 1.00 0.00 C ATOM 0 H LEU A 40 -3.288 3.811 28.914 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.101 3.319 31.051 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.564 3.764 31.099 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.922 5.461 30.846 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.513 5.222 32.914 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.798 3.482 34.532 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.435 2.752 33.039 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.679 2.817 33.319 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.589 5.651 34.446 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.475 5.003 33.219 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.377 6.504 32.899 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.293 6.391 29.852 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.214 7.563 29.871 1.00 0.00 C ATOM 1424 C LYS A 41 -7.575 7.154 29.298 1.00 0.00 C ATOM 1425 O LYS A 41 -8.610 7.544 29.798 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.613 8.700 29.034 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.445 9.983 29.184 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.213 10.625 30.560 1.00 0.00 C ATOM 1429 CE LYS A 41 -6.671 12.085 30.530 1.00 0.00 C ATOM 1430 NZ LYS A 41 -8.116 12.148 30.174 1.00 0.00 N ATOM 0 H LYS A 41 -4.467 6.491 29.262 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.347 7.907 30.897 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.587 8.887 29.350 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.575 8.406 27.985 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.177 10.689 28.398 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.503 9.753 29.059 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.762 10.077 31.325 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.157 10.570 30.825 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.505 12.549 31.502 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.082 12.647 29.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.480 13.103 30.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.235 11.929 29.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.644 11.456 30.743 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.583 6.377 28.249 1.00 0.00 N ATOM 1445 CA LEU A 42 -8.879 5.955 27.644 1.00 0.00 C ATOM 1446 C LEU A 42 -9.611 4.977 28.571 1.00 0.00 C ATOM 1447 O LEU A 42 -10.818 5.026 28.699 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.634 5.281 26.290 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.161 6.313 25.255 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.745 5.581 23.974 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.286 7.317 24.936 1.00 0.00 C ATOM 0 H LEU A 42 -6.749 6.016 27.785 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.495 6.843 27.503 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.886 4.496 26.398 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.550 4.803 25.944 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.313 6.864 25.663 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.408 6.306 23.234 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.934 4.888 24.198 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.597 5.028 23.578 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.931 8.040 24.201 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.147 6.783 24.534 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.577 7.839 25.847 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.907 4.068 29.195 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.594 3.078 30.078 1.00 0.00 C ATOM 1465 C HIS A 43 -9.821 3.663 31.476 1.00 0.00 C ATOM 1466 O HIS A 43 -10.853 3.445 32.077 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.744 1.808 30.169 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.747 1.119 28.832 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.043 1.613 27.748 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.370 -0.023 28.387 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.256 0.782 26.712 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.058 -0.233 27.047 1.00 0.00 N ATOM 0 H HIS A 43 -7.894 3.968 29.132 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.567 2.837 29.651 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.724 2.058 30.461 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.142 1.143 30.936 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.467 2.455 27.737 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.004 -0.660 28.986 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.830 0.919 25.729 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.889 4.412 32.006 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.099 5.005 33.360 1.00 0.00 C ATOM 1482 C GLY A 44 -9.050 3.928 34.448 1.00 0.00 C ATOM 1483 O GLY A 44 -9.471 4.159 35.564 1.00 0.00 O ATOM 0 H GLY A 44 -7.998 4.637 31.564 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.334 5.757 33.554 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.062 5.515 33.392 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.558 2.756 34.143 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.506 1.670 35.172 1.00 0.00 C ATOM 1489 C VAL A 45 -7.184 0.908 35.067 1.00 0.00 C ATOM 1490 O VAL A 45 -6.366 1.172 34.208 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.669 0.699 34.944 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.975 1.356 35.397 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.764 0.345 33.455 1.00 0.00 C ATOM 0 H VAL A 45 -8.189 2.502 33.227 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.583 2.116 36.164 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.498 -0.211 35.519 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.804 0.667 35.236 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.910 1.603 36.457 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.143 2.267 34.822 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.592 -0.346 33.297 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.933 1.252 32.875 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.834 -0.124 33.132 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.972 -0.039 35.941 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.707 -0.827 35.905 1.00 0.00 C ATOM 1505 C VAL A 46 -5.475 -1.340 34.484 1.00 0.00 C ATOM 1506 O VAL A 46 -6.407 -1.653 33.770 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.810 -2.020 36.857 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -5.892 -1.523 38.301 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -7.065 -2.831 36.524 1.00 0.00 C ATOM 0 H VAL A 46 -7.623 -0.301 36.681 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.878 -0.190 36.212 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.928 -2.650 36.743 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.965 -2.376 38.976 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.997 -0.948 38.539 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.772 -0.891 38.419 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.139 -3.681 37.202 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.946 -2.200 36.636 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.004 -3.190 35.497 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.237 -1.410 34.064 1.00 0.00 N ATOM 1520 CA ARG A 47 -3.924 -1.883 32.681 1.00 0.00 C ATOM 1521 C ARG A 47 -3.053 -3.149 32.744 1.00 0.00 C ATOM 1522 O ARG A 47 -1.917 -3.083 33.170 1.00 0.00 O ATOM 1523 CB ARG A 47 -3.128 -0.768 31.986 1.00 0.00 C ATOM 1524 CG ARG A 47 -2.569 -1.241 30.638 1.00 0.00 C ATOM 1525 CD ARG A 47 -1.813 -0.083 29.983 1.00 0.00 C ATOM 1526 NE ARG A 47 -1.252 -0.512 28.662 1.00 0.00 N ATOM 1527 CZ ARG A 47 -0.412 -1.508 28.558 1.00 0.00 C ATOM 1528 NH1 ARG A 47 0.095 -2.063 29.624 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -0.036 -1.915 27.378 1.00 0.00 N ATOM 0 H ARG A 47 -3.423 -1.158 34.625 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.843 -2.113 32.142 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.771 0.099 31.832 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.309 -0.447 32.630 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.903 -2.092 30.783 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.379 -1.577 29.991 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.483 0.765 29.843 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.008 0.251 30.637 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.534 -0.012 27.819 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.163 -1.720 30.549 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.750 -2.840 29.532 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.397 -1.457 26.541 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.619 -2.692 27.291 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.531 -4.283 32.279 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.703 -5.524 32.255 1.00 0.00 C ATOM 1545 C PRO A 48 -1.335 -5.247 31.618 1.00 0.00 C ATOM 1546 O PRO A 48 -1.167 -5.337 30.418 1.00 0.00 O ATOM 1547 CB PRO A 48 -3.528 -6.492 31.397 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.941 -6.054 31.594 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.887 -4.531 31.751 1.00 0.00 C ATOM 0 HA PRO A 48 -2.494 -5.920 33.249 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.238 -6.438 30.348 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.385 -7.525 31.714 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.561 -6.338 30.743 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.377 -6.523 32.476 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.045 -4.024 30.799 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.655 -4.171 32.435 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.364 -4.889 32.409 1.00 0.00 N ATOM 1558 CA LEU A 49 0.978 -4.581 31.841 1.00 0.00 C ATOM 1559 C LEU A 49 1.521 -5.807 31.099 1.00 0.00 C ATOM 1560 O LEU A 49 2.458 -5.712 30.333 1.00 0.00 O ATOM 1561 CB LEU A 49 1.934 -4.174 32.965 1.00 0.00 C ATOM 1562 CG LEU A 49 1.328 -3.018 33.776 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.318 -2.586 34.866 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.014 -1.826 32.857 1.00 0.00 C ATOM 0 H LEU A 49 -0.440 -4.796 33.422 1.00 0.00 H new ATOM 0 HA LEU A 49 0.891 -3.754 31.136 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.125 -5.026 33.617 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.894 -3.872 32.546 1.00 0.00 H new ATOM 0 HG LEU A 49 0.400 -3.356 34.237 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.890 -1.766 35.442 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.520 -3.428 35.528 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.248 -2.257 34.403 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.585 -1.015 33.446 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.932 -1.482 32.381 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.302 -2.134 32.092 1.00 0.00 H new ATOM 1576 N SER A 50 0.937 -6.953 31.311 1.00 0.00 N ATOM 1577 CA SER A 50 1.421 -8.173 30.605 1.00 0.00 C ATOM 1578 C SER A 50 1.286 -7.961 29.094 1.00 0.00 C ATOM 1579 O SER A 50 1.792 -8.728 28.298 1.00 0.00 O ATOM 1580 CB SER A 50 0.584 -9.380 31.030 1.00 0.00 C ATOM 1581 OG SER A 50 -0.727 -9.256 30.494 1.00 0.00 O ATOM 0 H SER A 50 0.148 -7.098 31.941 1.00 0.00 H new ATOM 0 HA SER A 50 2.465 -8.355 30.860 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.048 -10.301 30.677 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.540 -9.442 32.117 1.00 0.00 H new ATOM 0 HG SER A 50 -1.265 -10.029 30.764 1.00 0.00 H new ATOM 1587 N LEU A 51 0.606 -6.920 28.699 1.00 0.00 N ATOM 1588 CA LEU A 51 0.429 -6.635 27.244 1.00 0.00 C ATOM 1589 C LEU A 51 1.705 -6.008 26.692 1.00 0.00 C ATOM 1590 O LEU A 51 2.100 -6.249 25.569 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.700 -5.624 27.070 1.00 0.00 C ATOM 1592 CG LEU A 51 -2.015 -6.194 27.613 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.974 -5.039 27.906 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.655 -7.128 26.579 1.00 0.00 C ATOM 0 H LEU A 51 0.162 -6.249 29.325 1.00 0.00 H new ATOM 0 HA LEU A 51 0.203 -7.564 26.720 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.453 -4.700 27.593 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.813 -5.373 26.015 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.812 -6.757 28.524 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.913 -5.435 28.293 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.528 -4.375 28.646 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.165 -4.483 26.988 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.588 -7.526 26.977 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.859 -6.572 25.664 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.974 -7.950 26.360 1.00 0.00 H new ATOM 1606 N LYS A 52 2.332 -5.180 27.474 1.00 0.00 N ATOM 1607 CA LYS A 52 3.569 -4.495 27.012 1.00 0.00 C ATOM 1608 C LYS A 52 4.518 -5.490 26.345 1.00 0.00 C ATOM 1609 O LYS A 52 4.553 -6.661 26.668 1.00 0.00 O ATOM 1610 CB LYS A 52 4.254 -3.844 28.219 1.00 0.00 C ATOM 1611 CG LYS A 52 5.583 -3.173 27.795 1.00 0.00 C ATOM 1612 CD LYS A 52 6.788 -4.049 28.168 1.00 0.00 C ATOM 1613 CE LYS A 52 8.070 -3.221 28.074 1.00 0.00 C ATOM 1614 NZ LYS A 52 8.183 -2.622 26.714 1.00 0.00 N ATOM 0 H LYS A 52 2.039 -4.945 28.422 1.00 0.00 H new ATOM 0 HA LYS A 52 3.307 -3.733 26.278 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.591 -3.102 28.663 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.448 -4.596 28.983 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.577 -2.995 26.720 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.673 -2.200 28.278 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.668 -4.439 29.179 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.847 -4.908 27.499 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.062 -2.435 28.829 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.936 -3.850 28.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.181 -2.606 26.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.635 -3.191 26.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.812 -1.651 26.731 1.00 0.00 H new ATOM 1628 N THR A 53 5.307 -5.006 25.425 1.00 0.00 N ATOM 1629 CA THR A 53 6.296 -5.865 24.717 1.00 0.00 C ATOM 1630 C THR A 53 7.501 -5.001 24.356 1.00 0.00 C ATOM 1631 O THR A 53 7.436 -3.790 24.412 1.00 0.00 O ATOM 1632 CB THR A 53 5.681 -6.429 23.434 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.715 -6.914 22.590 1.00 0.00 O ATOM 1634 CG2 THR A 53 4.901 -5.330 22.713 1.00 0.00 C ATOM 0 H THR A 53 5.307 -4.030 25.129 1.00 0.00 H new ATOM 0 HA THR A 53 6.592 -6.695 25.359 1.00 0.00 H new ATOM 0 HB THR A 53 5.003 -7.245 23.683 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.489 -6.727 21.655 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.464 -5.733 21.800 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.108 -4.961 23.363 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.575 -4.511 22.462 1.00 0.00 H new ATOM 1642 N ASP A 54 8.595 -5.602 23.978 1.00 0.00 N ATOM 1643 CA ASP A 54 9.797 -4.796 23.605 1.00 0.00 C ATOM 1644 C ASP A 54 9.825 -4.621 22.087 1.00 0.00 C ATOM 1645 O ASP A 54 10.705 -3.981 21.545 1.00 0.00 O ATOM 1646 CB ASP A 54 11.066 -5.518 24.062 1.00 0.00 C ATOM 1647 CG ASP A 54 11.154 -5.480 25.590 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.789 -4.464 26.158 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.583 -6.466 26.165 1.00 0.00 O ATOM 0 H ASP A 54 8.711 -6.613 23.911 1.00 0.00 H new ATOM 0 HA ASP A 54 9.750 -3.821 24.089 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.055 -6.551 23.714 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.944 -5.043 23.625 1.00 0.00 H new ATOM 1654 N VAL A 55 8.858 -5.176 21.399 1.00 0.00 N ATOM 1655 CA VAL A 55 8.795 -5.048 19.910 1.00 0.00 C ATOM 1656 C VAL A 55 7.509 -4.312 19.527 1.00 0.00 C ATOM 1657 O VAL A 55 6.453 -4.566 20.072 1.00 0.00 O ATOM 1658 CB VAL A 55 8.785 -6.438 19.267 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.819 -6.297 17.741 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.007 -7.234 19.735 1.00 0.00 C ATOM 0 H VAL A 55 8.100 -5.719 21.812 1.00 0.00 H new ATOM 0 HA VAL A 55 9.665 -4.494 19.558 1.00 0.00 H new ATOM 0 HB VAL A 55 7.878 -6.965 19.563 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.812 -7.287 17.284 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.945 -5.737 17.408 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.724 -5.767 17.445 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.996 -8.222 19.275 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.917 -6.709 19.444 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.980 -7.338 20.820 1.00 0.00 H new ATOM 1670 N ILE A 56 7.595 -3.409 18.584 1.00 0.00 N ATOM 1671 CA ILE A 56 6.393 -2.641 18.131 1.00 0.00 C ATOM 1672 C ILE A 56 6.164 -2.915 16.643 1.00 0.00 C ATOM 1673 O ILE A 56 7.075 -2.833 15.842 1.00 0.00 O ATOM 1674 CB ILE A 56 6.638 -1.142 18.345 1.00 0.00 C ATOM 1675 CG1 ILE A 56 6.887 -0.879 19.832 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.411 -0.342 17.891 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.420 0.543 20.020 1.00 0.00 C ATOM 0 H ILE A 56 8.460 -3.167 18.101 1.00 0.00 H new ATOM 0 HA ILE A 56 5.517 -2.948 18.702 1.00 0.00 H new ATOM 0 HB ILE A 56 7.505 -0.833 17.762 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.962 -1.009 20.394 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.603 -1.601 20.224 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.592 0.722 18.046 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.226 -0.528 16.833 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.541 -0.650 18.471 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.597 0.728 21.080 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.355 0.657 19.471 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.689 1.258 19.644 1.00 0.00 H new ATOM 1689 N LYS A 57 4.958 -3.235 16.263 1.00 0.00 N ATOM 1690 CA LYS A 57 4.685 -3.505 14.823 1.00 0.00 C ATOM 1691 C LYS A 57 4.524 -2.168 14.099 1.00 0.00 C ATOM 1692 O LYS A 57 3.884 -1.258 14.587 1.00 0.00 O ATOM 1693 CB LYS A 57 3.406 -4.331 14.677 1.00 0.00 C ATOM 1694 CG LYS A 57 3.269 -4.803 13.227 1.00 0.00 C ATOM 1695 CD LYS A 57 1.991 -5.630 13.075 1.00 0.00 C ATOM 1696 CE LYS A 57 1.844 -6.087 11.620 1.00 0.00 C ATOM 1697 NZ LYS A 57 2.815 -7.182 11.336 1.00 0.00 N ATOM 0 H LYS A 57 4.153 -3.321 16.884 1.00 0.00 H new ATOM 0 HA LYS A 57 5.512 -4.067 14.390 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.435 -5.189 15.349 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.540 -3.733 14.960 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.241 -3.945 12.556 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.136 -5.400 12.945 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.025 -6.495 13.737 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.125 -5.037 13.370 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.827 -6.434 11.439 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.019 -5.249 10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.601 -7.604 10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.781 -6.796 11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.741 -7.911 12.074 1.00 0.00 H new ATOM 1711 N LYS A 58 5.115 -2.039 12.942 1.00 0.00 N ATOM 1712 CA LYS A 58 5.016 -0.756 12.187 1.00 0.00 C ATOM 1713 C LYS A 58 3.777 -0.766 11.290 1.00 0.00 C ATOM 1714 O LYS A 58 3.573 -1.678 10.513 1.00 0.00 O ATOM 1715 CB LYS A 58 6.265 -0.594 11.319 1.00 0.00 C ATOM 1716 CG LYS A 58 7.504 -0.575 12.216 1.00 0.00 C ATOM 1717 CD LYS A 58 8.757 -0.318 11.373 1.00 0.00 C ATOM 1718 CE LYS A 58 8.945 -1.433 10.336 1.00 0.00 C ATOM 1719 NZ LYS A 58 8.153 -1.112 9.115 1.00 0.00 N ATOM 0 H LYS A 58 5.663 -2.768 12.486 1.00 0.00 H new ATOM 0 HA LYS A 58 4.937 0.072 12.892 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.333 -1.413 10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.205 0.329 10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.401 0.200 12.976 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.598 -1.526 12.741 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.672 0.645 10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.633 -0.263 12.020 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.000 -1.535 10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.624 -2.388 10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.413 -1.830 8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.712 -0.176 9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.781 -1.105 8.286 1.00 0.00 H new ATOM 1733 N ARG A 59 2.952 0.246 11.374 1.00 0.00 N ATOM 1734 CA ARG A 59 1.736 0.296 10.508 1.00 0.00 C ATOM 1735 C ARG A 59 2.058 1.135 9.271 1.00 0.00 C ATOM 1736 O ARG A 59 3.159 1.626 9.113 1.00 0.00 O ATOM 1737 CB ARG A 59 0.567 0.944 11.258 1.00 0.00 C ATOM 1738 CG ARG A 59 0.123 0.044 12.415 1.00 0.00 C ATOM 1739 CD ARG A 59 -1.245 0.509 12.924 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.251 1.993 13.053 1.00 0.00 N ATOM 1741 CZ ARG A 59 -2.381 2.635 13.175 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -3.507 1.976 13.235 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -2.385 3.938 13.250 1.00 0.00 N ATOM 0 H ARG A 59 3.068 1.039 12.004 1.00 0.00 H new ATOM 0 HA ARG A 59 1.453 -0.718 10.227 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.866 1.920 11.640 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.266 1.110 10.575 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.067 -0.993 12.083 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.855 0.081 13.221 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.028 0.190 12.236 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.461 0.049 13.888 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.371 2.508 13.046 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.505 0.957 13.187 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.389 2.480 13.330 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.506 4.454 13.213 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.267 4.441 13.345 1.00 0.00 H new ATOM 1757 N ASN A 60 1.122 1.271 8.377 1.00 0.00 N ATOM 1758 CA ASN A 60 1.385 2.041 7.128 1.00 0.00 C ATOM 1759 C ASN A 60 1.398 3.545 7.409 1.00 0.00 C ATOM 1760 O ASN A 60 1.277 3.987 8.534 1.00 0.00 O ATOM 1761 CB ASN A 60 0.280 1.733 6.119 1.00 0.00 C ATOM 1762 CG ASN A 60 -1.059 2.202 6.689 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -1.170 2.457 7.872 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -2.086 2.328 5.897 1.00 0.00 N ATOM 0 H ASN A 60 0.183 0.882 8.456 1.00 0.00 H new ATOM 0 HA ASN A 60 2.359 1.752 6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.483 2.235 5.173 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.247 0.663 5.911 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.982 2.641 6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.993 2.114 4.904 1.00 0.00 H new