USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 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= 1.18 USER MOD Set 1.2: A 15 CYS SG : rot -60:sc= 0.208 USER MOD Set 1.3: A 17 THR OG1 : rot 95:sc= -0.33 USER MOD Set 1.4: A 33 CYS SG : rot -133:sc= 1.18 USER MOD Set 1.5: A 36 CYS SG : rot 83:sc= 0.199 USER MOD Set 2.1: A 20 THR OG1 : rot -124:sc= -0.211 USER MOD Set 2.2: A 34 ASN : amide:sc= -9.72! K(o=-9.9!,f=-1.2) USER MOD Set 3.1: A 13 THR OG1 : rot 150:sc= 0 USER MOD Set 3.2: A 14 ASN : amide:sc= -5.32! K(o=-5.3!,f=-4) USER MOD Single : A 11 THR OG1 : rot 31:sc= 0.0447 USER MOD Single : A 18 GLN : amide:sc= -4.47! C(o=-4.5!,f=-7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.1) USER MOD Single : A 30 GLN : amide:sc= -8.4! C(o=-8.4!,f=-6.3!) USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= -0.0566 (180deg=-0.435) USER MOD Single : A 43 HIS : no HD1:sc= -12.4! C(o=-12!,f=-12!) USER MOD Single : A 50 SER OG : rot -26:sc= 0.31 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 61:sc= -0.644 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= -0.162 (180deg=-1.16) USER MOD Single : A 60 ASN : amide:sc= -0.0371 K(o=-0.037,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.557 7.439 31.474 1.00 0.00 N ATOM 971 CA THR A 11 11.248 5.978 31.544 1.00 0.00 C ATOM 972 C THR A 11 9.767 5.800 31.899 1.00 0.00 C ATOM 973 O THR A 11 9.240 6.486 32.754 1.00 0.00 O ATOM 974 CB THR A 11 12.121 5.332 32.622 1.00 0.00 C ATOM 975 OG1 THR A 11 13.486 5.418 32.238 1.00 0.00 O ATOM 976 CG2 THR A 11 11.726 3.866 32.774 1.00 0.00 C ATOM 0 HA THR A 11 11.452 5.504 30.584 1.00 0.00 H new ATOM 0 HB THR A 11 11.979 5.850 33.570 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.626 6.230 31.707 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.345 3.400 33.541 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.677 3.800 33.064 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.873 3.349 31.826 1.00 0.00 H new ATOM 984 N CYS A 12 9.085 4.894 31.251 1.00 0.00 N ATOM 985 CA CYS A 12 7.638 4.696 31.560 1.00 0.00 C ATOM 986 C CYS A 12 7.485 4.102 32.956 1.00 0.00 C ATOM 987 O CYS A 12 7.813 2.957 33.191 1.00 0.00 O ATOM 988 CB CYS A 12 7.024 3.729 30.548 1.00 0.00 C ATOM 989 SG CYS A 12 5.218 3.831 30.623 1.00 0.00 S ATOM 0 H CYS A 12 9.464 4.285 30.525 1.00 0.00 H new ATOM 0 HA CYS A 12 7.132 5.660 31.510 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.370 3.971 29.543 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.349 2.711 30.760 1.00 0.00 H new ATOM 0 HG CYS A 12 4.713 3.422 29.497 1.00 0.00 H new ATOM 994 N THR A 13 6.985 4.869 33.881 1.00 0.00 N ATOM 995 CA THR A 13 6.815 4.350 35.264 1.00 0.00 C ATOM 996 C THR A 13 5.765 3.229 35.284 1.00 0.00 C ATOM 997 O THR A 13 5.618 2.540 36.277 1.00 0.00 O ATOM 998 CB THR A 13 6.349 5.481 36.189 1.00 0.00 C ATOM 999 OG1 THR A 13 5.091 5.959 35.741 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.358 6.636 36.191 1.00 0.00 C ATOM 0 H THR A 13 6.686 5.834 33.739 1.00 0.00 H new ATOM 0 HA THR A 13 7.772 3.959 35.608 1.00 0.00 H new ATOM 0 HB THR A 13 6.266 5.091 37.204 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.576 6.290 36.506 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.005 7.426 36.854 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.325 6.274 36.540 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.462 7.030 35.180 1.00 0.00 H new ATOM 1008 N ASN A 14 5.020 3.035 34.218 1.00 0.00 N ATOM 1009 CA ASN A 14 3.974 1.961 34.218 1.00 0.00 C ATOM 1010 C ASN A 14 4.482 0.681 33.552 1.00 0.00 C ATOM 1011 O ASN A 14 4.041 -0.391 33.903 1.00 0.00 O ATOM 1012 CB ASN A 14 2.739 2.450 33.461 1.00 0.00 C ATOM 1013 CG ASN A 14 2.004 3.482 34.315 1.00 0.00 C ATOM 1014 OD1 ASN A 14 0.916 3.903 33.980 1.00 0.00 O ATOM 1015 ND2 ASN A 14 2.565 3.908 35.413 1.00 0.00 N ATOM 0 H ASN A 14 5.091 3.571 33.353 1.00 0.00 H new ATOM 0 HA ASN A 14 3.726 1.739 35.256 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.032 2.891 32.508 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.080 1.611 33.235 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.089 4.598 35.994 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.479 3.551 35.690 1.00 0.00 H new ATOM 1022 N CYS A 15 5.363 0.758 32.578 1.00 0.00 N ATOM 1023 CA CYS A 15 5.832 -0.506 31.909 1.00 0.00 C ATOM 1024 C CYS A 15 7.338 -0.466 31.623 1.00 0.00 C ATOM 1025 O CYS A 15 7.858 -1.335 30.954 1.00 0.00 O ATOM 1026 CB CYS A 15 5.068 -0.723 30.596 1.00 0.00 C ATOM 1027 SG CYS A 15 5.710 0.369 29.302 1.00 0.00 S ATOM 0 H CYS A 15 5.772 1.622 32.222 1.00 0.00 H new ATOM 0 HA CYS A 15 5.635 -1.333 32.591 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.161 -1.763 30.282 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.006 -0.530 30.750 1.00 0.00 H new ATOM 0 HG CYS A 15 5.579 1.607 29.675 1.00 0.00 H new ATOM 1032 N PHE A 16 8.047 0.507 32.134 1.00 0.00 N ATOM 1033 CA PHE A 16 9.528 0.582 31.918 1.00 0.00 C ATOM 1034 C PHE A 16 9.886 0.692 30.430 1.00 0.00 C ATOM 1035 O PHE A 16 11.048 0.662 30.076 1.00 0.00 O ATOM 1036 CB PHE A 16 10.227 -0.653 32.506 1.00 0.00 C ATOM 1037 CG PHE A 16 9.921 -0.764 33.985 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.688 -0.053 34.918 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.856 -1.565 34.422 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.389 -0.142 36.285 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.555 -1.647 35.788 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.322 -0.936 36.719 1.00 0.00 C ATOM 0 H PHE A 16 7.660 1.263 32.699 1.00 0.00 H new ATOM 0 HA PHE A 16 9.873 1.482 32.427 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.892 -1.552 31.988 1.00 0.00 H new ATOM 0 HB3 PHE A 16 11.304 -0.579 32.353 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.509 0.564 34.584 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.268 -2.119 33.705 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.983 0.403 37.004 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.731 -2.259 36.123 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.090 -1.001 37.772 1.00 0.00 H new ATOM 1052 N THR A 17 8.933 0.799 29.547 1.00 0.00 N ATOM 1053 CA THR A 17 9.293 0.888 28.100 1.00 0.00 C ATOM 1054 C THR A 17 10.172 2.125 27.860 1.00 0.00 C ATOM 1055 O THR A 17 9.822 3.231 28.221 1.00 0.00 O ATOM 1056 CB THR A 17 8.010 0.996 27.265 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.359 -0.268 27.226 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.340 1.442 25.840 1.00 0.00 C ATOM 0 H THR A 17 7.935 0.829 29.757 1.00 0.00 H new ATOM 0 HA THR A 17 9.845 -0.005 27.806 1.00 0.00 H new ATOM 0 HB THR A 17 7.353 1.734 27.724 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.683 -0.310 27.934 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.420 1.514 25.259 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.829 2.416 25.868 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.006 0.714 25.376 1.00 0.00 H new ATOM 1066 N GLN A 18 11.300 1.941 27.224 1.00 0.00 N ATOM 1067 CA GLN A 18 12.211 3.089 26.920 1.00 0.00 C ATOM 1068 C GLN A 18 12.092 3.427 25.434 1.00 0.00 C ATOM 1069 O GLN A 18 12.611 4.419 24.960 1.00 0.00 O ATOM 1070 CB GLN A 18 13.655 2.688 27.249 1.00 0.00 C ATOM 1071 CG GLN A 18 14.056 1.429 26.469 1.00 0.00 C ATOM 1072 CD GLN A 18 13.358 0.204 27.064 1.00 0.00 C ATOM 1073 OE1 GLN A 18 13.041 0.179 28.236 1.00 0.00 O ATOM 1074 NE2 GLN A 18 13.091 -0.815 26.293 1.00 0.00 N ATOM 0 H GLN A 18 11.634 1.034 26.898 1.00 0.00 H new ATOM 0 HA GLN A 18 11.937 3.958 27.517 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.331 3.507 27.002 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.753 2.506 28.319 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.784 1.539 25.419 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.137 1.296 26.506 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.357 -0.793 25.309 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.616 -1.633 26.675 1.00 0.00 H new ATOM 1083 N THR A 19 11.407 2.590 24.700 1.00 0.00 N ATOM 1084 CA THR A 19 11.228 2.810 23.234 1.00 0.00 C ATOM 1085 C THR A 19 9.779 3.207 22.952 1.00 0.00 C ATOM 1086 O THR A 19 8.856 2.485 23.272 1.00 0.00 O ATOM 1087 CB THR A 19 11.546 1.510 22.488 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.781 0.986 22.957 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.650 1.802 20.990 1.00 0.00 C ATOM 0 H THR A 19 10.956 1.749 25.061 1.00 0.00 H new ATOM 0 HA THR A 19 11.897 3.603 22.899 1.00 0.00 H new ATOM 0 HB THR A 19 10.754 0.782 22.664 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.985 0.153 22.482 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.876 0.880 20.454 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.704 2.207 20.632 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.444 2.527 20.815 1.00 0.00 H new ATOM 1097 N THR A 20 9.564 4.345 22.350 1.00 0.00 N ATOM 1098 CA THR A 20 8.165 4.761 22.054 1.00 0.00 C ATOM 1099 C THR A 20 8.155 5.911 21.038 1.00 0.00 C ATOM 1100 O THR A 20 9.040 6.746 21.036 1.00 0.00 O ATOM 1101 CB THR A 20 7.494 5.232 23.345 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.235 5.817 23.038 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.379 6.269 24.044 1.00 0.00 C ATOM 0 H THR A 20 10.289 4.998 22.053 1.00 0.00 H new ATOM 0 HA THR A 20 7.625 3.911 21.638 1.00 0.00 H new ATOM 0 HB THR A 20 7.351 4.377 24.006 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.203 6.730 23.393 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.895 6.600 24.963 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.344 5.822 24.283 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.529 7.124 23.384 1.00 0.00 H new ATOM 1111 N PRO A 21 7.157 5.970 20.188 1.00 0.00 N ATOM 1112 CA PRO A 21 7.038 7.057 19.171 1.00 0.00 C ATOM 1113 C PRO A 21 6.689 8.411 19.810 1.00 0.00 C ATOM 1114 O PRO A 21 6.923 9.455 19.234 1.00 0.00 O ATOM 1115 CB PRO A 21 5.909 6.568 18.251 1.00 0.00 C ATOM 1116 CG PRO A 21 5.074 5.673 19.107 1.00 0.00 C ATOM 1117 CD PRO A 21 6.038 5.013 20.091 1.00 0.00 C ATOM 0 HA PRO A 21 7.975 7.233 18.642 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.324 7.403 17.865 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.306 6.032 17.389 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.307 6.241 19.634 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.559 4.925 18.504 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.568 4.848 21.061 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.374 4.041 19.730 1.00 0.00 H new ATOM 1125 N VAL A 22 6.128 8.398 20.990 1.00 0.00 N ATOM 1126 CA VAL A 22 5.759 9.682 21.658 1.00 0.00 C ATOM 1127 C VAL A 22 5.539 9.436 23.155 1.00 0.00 C ATOM 1128 O VAL A 22 5.034 8.407 23.562 1.00 0.00 O ATOM 1129 CB VAL A 22 4.478 10.233 21.027 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.351 9.210 21.188 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.085 11.542 21.719 1.00 0.00 C ATOM 0 H VAL A 22 5.909 7.555 21.521 1.00 0.00 H new ATOM 0 HA VAL A 22 6.564 10.406 21.530 1.00 0.00 H new ATOM 0 HB VAL A 22 4.649 10.423 19.967 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.438 9.601 20.739 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.630 8.280 20.692 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.181 9.019 22.248 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.173 11.932 21.268 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.915 11.356 22.779 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.888 12.270 21.603 1.00 0.00 H new ATOM 1141 N TRP A 23 5.929 10.378 23.973 1.00 0.00 N ATOM 1142 CA TRP A 23 5.775 10.221 25.450 1.00 0.00 C ATOM 1143 C TRP A 23 4.470 10.854 25.935 1.00 0.00 C ATOM 1144 O TRP A 23 4.160 11.991 25.638 1.00 0.00 O ATOM 1145 CB TRP A 23 6.957 10.893 26.153 1.00 0.00 C ATOM 1146 CG TRP A 23 8.188 10.075 25.938 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.183 10.381 25.078 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.567 8.821 26.573 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.156 9.400 25.149 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.821 8.414 26.055 1.00 0.00 C ATOM 1151 CE3 TRP A 23 7.952 8.008 27.540 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.439 7.237 26.483 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.570 6.824 27.970 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.809 6.440 27.445 1.00 0.00 C ATOM 0 H TRP A 23 6.352 11.258 23.678 1.00 0.00 H new ATOM 0 HA TRP A 23 5.751 9.157 25.686 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.103 11.900 25.762 1.00 0.00 H new ATOM 0 HB3 TRP A 23 6.753 10.991 27.219 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.214 11.251 24.438 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.015 9.405 24.599 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.997 8.296 27.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.395 6.944 26.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.086 6.205 28.711 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.279 5.528 27.783 1.00 0.00 H new ATOM 1165 N ARG A 24 3.714 10.109 26.698 1.00 0.00 N ATOM 1166 CA ARG A 24 2.424 10.616 27.252 1.00 0.00 C ATOM 1167 C ARG A 24 2.631 10.920 28.736 1.00 0.00 C ATOM 1168 O ARG A 24 3.641 10.575 29.316 1.00 0.00 O ATOM 1169 CB ARG A 24 1.342 9.536 27.099 1.00 0.00 C ATOM 1170 CG ARG A 24 1.095 9.227 25.617 1.00 0.00 C ATOM 1171 CD ARG A 24 0.162 10.265 24.983 1.00 0.00 C ATOM 1172 NE ARG A 24 0.160 10.074 23.506 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.805 10.572 22.788 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.793 11.198 23.363 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.790 10.440 21.491 1.00 0.00 N ATOM 0 H ARG A 24 3.941 9.151 26.966 1.00 0.00 H new ATOM 0 HA ARG A 24 2.110 11.514 26.720 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.650 8.629 27.619 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.416 9.872 27.565 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.045 9.213 25.082 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.659 8.233 25.518 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.848 10.156 25.379 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.494 11.273 25.232 1.00 0.00 H new ATOM 0 HE ARG A 24 0.914 9.554 23.057 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.811 11.299 24.378 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.548 11.587 22.798 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.021 9.946 21.038 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.547 10.831 20.930 1.00 0.00 H new ATOM 1189 N ARG A 25 1.681 11.564 29.351 1.00 0.00 N ATOM 1190 CA ARG A 25 1.800 11.900 30.798 1.00 0.00 C ATOM 1191 C ARG A 25 0.421 11.809 31.453 1.00 0.00 C ATOM 1192 O ARG A 25 -0.576 11.621 30.786 1.00 0.00 O ATOM 1193 CB ARG A 25 2.369 13.309 30.947 1.00 0.00 C ATOM 1194 CG ARG A 25 1.450 14.315 30.262 1.00 0.00 C ATOM 1195 CD ARG A 25 2.174 15.657 30.173 1.00 0.00 C ATOM 1196 NE ARG A 25 1.212 16.704 29.733 1.00 0.00 N ATOM 1197 CZ ARG A 25 1.501 17.969 29.863 1.00 0.00 C ATOM 1198 NH1 ARG A 25 2.680 18.332 30.296 1.00 0.00 N ATOM 1199 NH2 ARG A 25 0.611 18.867 29.533 1.00 0.00 N ATOM 0 H ARG A 25 0.817 11.876 28.909 1.00 0.00 H new ATOM 0 HA ARG A 25 2.472 11.196 31.289 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.473 13.559 32.003 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.366 13.356 30.508 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.181 13.964 29.266 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.522 14.423 30.824 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.598 15.920 31.142 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.004 15.590 29.470 1.00 0.00 H new ATOM 0 HE ARG A 25 0.318 16.429 29.326 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.376 17.625 30.533 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.904 19.322 30.397 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.300 18.576 29.178 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.827 19.859 29.631 1.00 0.00 H new ATOM 1213 N ASN A 26 0.367 11.909 32.755 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.933 11.797 33.487 1.00 0.00 C ATOM 1215 C ASN A 26 -1.053 12.964 34.489 1.00 0.00 C ATOM 1216 O ASN A 26 -0.059 13.380 35.049 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.908 10.466 34.250 1.00 0.00 C ATOM 1218 CG ASN A 26 -2.316 10.053 34.675 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -3.070 9.512 33.891 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.703 10.278 35.901 1.00 0.00 N ATOM 0 H ASN A 26 1.179 12.066 33.352 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.778 11.835 32.799 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.472 9.690 33.621 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.271 10.559 35.130 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.638 10.000 36.200 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.071 10.732 36.560 1.00 0.00 H new ATOM 1227 N PRO A 27 -2.238 13.495 34.723 1.00 0.00 N ATOM 1228 CA PRO A 27 -2.452 14.620 35.693 1.00 0.00 C ATOM 1229 C PRO A 27 -1.679 14.485 37.017 1.00 0.00 C ATOM 1230 O PRO A 27 -1.726 15.372 37.849 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.957 14.560 35.957 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.531 14.109 34.660 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.520 13.112 34.085 1.00 0.00 C ATOM 0 HA PRO A 27 -2.088 15.560 35.278 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.194 13.864 36.762 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.350 15.533 36.251 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.505 13.640 34.804 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.679 14.951 33.983 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.793 12.084 34.323 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.462 13.183 32.999 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.962 13.410 37.227 1.00 0.00 N ATOM 1242 CA GLU A 28 -0.180 13.257 38.497 1.00 0.00 C ATOM 1243 C GLU A 28 1.271 13.644 38.218 1.00 0.00 C ATOM 1244 O GLU A 28 2.062 13.860 39.117 1.00 0.00 O ATOM 1245 CB GLU A 28 -0.256 11.807 38.967 1.00 0.00 C ATOM 1246 CG GLU A 28 -1.719 11.465 39.237 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.832 10.016 39.711 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -0.859 9.291 39.575 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.889 9.658 40.205 1.00 0.00 O ATOM 0 H GLU A 28 -0.883 12.630 36.575 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.589 13.899 39.277 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.156 11.140 38.209 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.339 11.669 39.870 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.126 12.137 39.992 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.309 11.608 38.332 1.00 0.00 H new ATOM 1256 N GLY A 29 1.608 13.742 36.961 1.00 0.00 N ATOM 1257 CA GLY A 29 2.990 14.130 36.559 1.00 0.00 C ATOM 1258 C GLY A 29 3.878 12.899 36.352 1.00 0.00 C ATOM 1259 O GLY A 29 5.077 13.018 36.204 1.00 0.00 O ATOM 0 H GLY A 29 0.973 13.566 36.182 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.953 14.713 35.639 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.427 14.771 37.325 1.00 0.00 H new ATOM 1263 N GLN A 30 3.312 11.722 36.323 1.00 0.00 N ATOM 1264 CA GLN A 30 4.142 10.496 36.101 1.00 0.00 C ATOM 1265 C GLN A 30 4.279 10.248 34.584 1.00 0.00 C ATOM 1266 O GLN A 30 3.297 9.955 33.932 1.00 0.00 O ATOM 1267 CB GLN A 30 3.432 9.294 36.750 1.00 0.00 C ATOM 1268 CG GLN A 30 3.677 9.284 38.267 1.00 0.00 C ATOM 1269 CD GLN A 30 3.478 10.691 38.834 1.00 0.00 C ATOM 1270 OE1 GLN A 30 2.467 10.980 39.438 1.00 0.00 O ATOM 1271 NE2 GLN A 30 4.414 11.583 38.663 1.00 0.00 N ATOM 0 H GLN A 30 2.313 11.554 36.443 1.00 0.00 H new ATOM 0 HA GLN A 30 5.130 10.627 36.542 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.362 9.343 36.548 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.797 8.366 36.310 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.992 8.587 38.750 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.688 8.936 38.479 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.264 11.339 38.155 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.296 12.524 39.037 1.00 0.00 H new ATOM 1280 N PRO A 31 5.462 10.342 33.999 1.00 0.00 N ATOM 1281 CA PRO A 31 5.628 10.092 32.533 1.00 0.00 C ATOM 1282 C PRO A 31 5.110 8.704 32.124 1.00 0.00 C ATOM 1283 O PRO A 31 5.185 7.751 32.875 1.00 0.00 O ATOM 1284 CB PRO A 31 7.146 10.191 32.301 1.00 0.00 C ATOM 1285 CG PRO A 31 7.658 11.016 33.435 1.00 0.00 C ATOM 1286 CD PRO A 31 6.750 10.708 34.626 1.00 0.00 C ATOM 0 HA PRO A 31 5.057 10.804 31.937 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.609 9.204 32.291 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.369 10.658 31.341 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.695 10.768 33.661 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.631 12.077 33.188 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.146 9.893 35.232 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.645 11.571 35.283 1.00 0.00 H new ATOM 1294 N LEU A 32 4.591 8.595 30.929 1.00 0.00 N ATOM 1295 CA LEU A 32 4.063 7.283 30.440 1.00 0.00 C ATOM 1296 C LEU A 32 4.444 7.109 28.971 1.00 0.00 C ATOM 1297 O LEU A 32 4.509 8.064 28.223 1.00 0.00 O ATOM 1298 CB LEU A 32 2.532 7.259 30.557 1.00 0.00 C ATOM 1299 CG LEU A 32 2.093 7.374 32.025 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.575 7.575 32.090 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.461 6.096 32.791 1.00 0.00 C ATOM 0 H LEU A 32 4.509 9.364 30.264 1.00 0.00 H new ATOM 0 HA LEU A 32 4.488 6.479 31.041 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.106 8.080 29.980 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.145 6.334 30.129 1.00 0.00 H new ATOM 0 HG LEU A 32 2.602 8.224 32.478 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.263 7.657 33.131 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.306 8.487 31.558 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.075 6.724 31.627 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.145 6.191 33.830 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.960 5.242 32.335 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.540 5.947 32.753 1.00 0.00 H new ATOM 1313 N CYS A 33 4.658 5.897 28.528 1.00 0.00 N ATOM 1314 CA CYS A 33 4.990 5.708 27.094 1.00 0.00 C ATOM 1315 C CYS A 33 3.713 5.944 26.289 1.00 0.00 C ATOM 1316 O CYS A 33 2.727 6.423 26.810 1.00 0.00 O ATOM 1317 CB CYS A 33 5.548 4.303 26.835 1.00 0.00 C ATOM 1318 SG CYS A 33 4.263 3.052 27.049 1.00 0.00 S ATOM 0 H CYS A 33 4.617 5.047 29.090 1.00 0.00 H new ATOM 0 HA CYS A 33 5.764 6.414 26.793 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.951 4.248 25.824 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.374 4.103 27.518 1.00 0.00 H new ATOM 0 HG CYS A 33 4.721 2.080 27.781 1.00 0.00 H new ATOM 1323 N ASN A 34 3.725 5.642 25.028 1.00 0.00 N ATOM 1324 CA ASN A 34 2.514 5.885 24.196 1.00 0.00 C ATOM 1325 C ASN A 34 1.401 4.877 24.528 1.00 0.00 C ATOM 1326 O ASN A 34 0.259 5.247 24.716 1.00 0.00 O ATOM 1327 CB ASN A 34 2.910 5.773 22.723 1.00 0.00 C ATOM 1328 CG ASN A 34 3.398 4.355 22.407 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.153 3.849 21.331 1.00 0.00 O ATOM 1330 ND2 ASN A 34 4.097 3.691 23.291 1.00 0.00 N ATOM 0 H ASN A 34 4.519 5.237 24.533 1.00 0.00 H new ATOM 0 HA ASN A 34 2.125 6.881 24.407 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.057 6.020 22.091 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.695 6.494 22.495 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.433 2.753 23.075 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.306 4.112 24.197 1.00 0.00 H new ATOM 1337 N ALA A 35 1.720 3.610 24.583 1.00 0.00 N ATOM 1338 CA ALA A 35 0.684 2.569 24.876 1.00 0.00 C ATOM 1339 C ALA A 35 0.026 2.763 26.253 1.00 0.00 C ATOM 1340 O ALA A 35 -1.184 2.770 26.366 1.00 0.00 O ATOM 1341 CB ALA A 35 1.336 1.186 24.825 1.00 0.00 C ATOM 0 H ALA A 35 2.662 3.247 24.436 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.097 2.663 24.122 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.587 0.423 25.037 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.755 1.017 23.833 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.131 1.131 25.568 1.00 0.00 H new ATOM 1347 N CYS A 36 0.792 2.875 27.306 1.00 0.00 N ATOM 1348 CA CYS A 36 0.162 3.021 28.656 1.00 0.00 C ATOM 1349 C CYS A 36 -0.749 4.256 28.696 1.00 0.00 C ATOM 1350 O CYS A 36 -1.821 4.226 29.268 1.00 0.00 O ATOM 1351 CB CYS A 36 1.244 3.175 29.732 1.00 0.00 C ATOM 1352 SG CYS A 36 2.239 1.668 29.841 1.00 0.00 S ATOM 0 H CYS A 36 1.812 2.872 27.294 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.429 2.126 28.849 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.884 4.025 29.495 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.781 3.384 30.696 1.00 0.00 H new ATOM 0 HG CYS A 36 3.156 1.686 28.920 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.326 5.344 28.105 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.155 6.590 28.121 1.00 0.00 C ATOM 1359 C GLY A 37 -2.490 6.382 27.395 1.00 0.00 C ATOM 1360 O GLY A 37 -3.517 6.877 27.815 1.00 0.00 O ATOM 0 H GLY A 37 0.562 5.425 27.609 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.342 6.891 29.152 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.604 7.402 27.647 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.479 5.685 26.293 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.738 5.477 25.514 1.00 0.00 C ATOM 1366 C LEU A 38 -4.758 4.612 26.274 1.00 0.00 C ATOM 1367 O LEU A 38 -5.899 4.996 26.448 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.371 4.770 24.204 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.553 5.714 23.312 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.934 4.924 22.153 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.446 6.831 22.748 1.00 0.00 C ATOM 0 H LEU A 38 -1.649 5.247 25.894 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.198 6.449 25.337 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.797 3.868 24.416 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.276 4.457 23.684 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.763 6.163 23.914 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.354 5.598 21.522 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.281 4.147 22.550 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.726 4.465 21.562 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.849 7.491 22.118 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.248 6.391 22.155 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.875 7.404 23.570 1.00 0.00 H new ATOM 1383 N PHE A 39 -4.370 3.439 26.695 1.00 0.00 N ATOM 1384 CA PHE A 39 -5.338 2.541 27.400 1.00 0.00 C ATOM 1385 C PHE A 39 -5.589 2.960 28.854 1.00 0.00 C ATOM 1386 O PHE A 39 -6.699 2.877 29.345 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.812 1.103 27.375 1.00 0.00 C ATOM 1388 CG PHE A 39 -5.783 0.214 28.120 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.735 0.144 29.517 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -6.748 -0.516 27.417 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.644 -0.663 30.210 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -7.659 -1.322 28.110 1.00 0.00 C ATOM 1393 CZ PHE A 39 -7.608 -1.394 29.507 1.00 0.00 C ATOM 0 H PHE A 39 -3.429 3.062 26.583 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.288 2.617 26.871 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.700 0.760 26.346 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.826 1.054 27.836 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.996 0.713 30.061 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.790 -0.458 26.339 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.602 -0.722 31.288 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.401 -1.888 27.567 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.312 -2.014 30.042 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.569 3.362 29.560 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.746 3.724 30.997 1.00 0.00 C ATOM 1405 C LEU A 40 -5.745 4.876 31.143 1.00 0.00 C ATOM 1406 O LEU A 40 -6.674 4.807 31.924 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.382 4.164 31.536 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.437 4.415 33.049 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.585 3.094 33.819 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.138 5.101 33.473 1.00 0.00 C ATOM 0 H LEU A 40 -3.618 3.456 29.204 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.130 2.867 31.551 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.638 3.398 31.319 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.062 5.072 31.026 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.299 5.043 33.275 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.622 3.299 34.889 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.505 2.596 33.513 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.734 2.449 33.602 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.159 5.288 34.547 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.292 4.458 33.233 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.036 6.048 32.942 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.565 5.938 30.413 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.507 7.085 30.536 1.00 0.00 C ATOM 1424 C LYS A 41 -7.917 6.655 30.128 1.00 0.00 C ATOM 1425 O LYS A 41 -8.893 7.046 30.735 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.037 8.226 29.629 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.997 9.419 29.742 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.502 10.578 28.869 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.477 11.754 28.978 1.00 0.00 C ATOM 1430 NZ LYS A 41 -8.788 11.374 28.379 1.00 0.00 N ATOM 0 H LYS A 41 -4.810 6.063 29.739 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.526 7.422 31.572 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.029 8.532 29.909 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.990 7.884 28.595 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.998 9.121 29.431 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.069 9.741 30.781 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.506 10.887 29.187 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.419 10.256 27.831 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.611 12.033 30.023 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.070 12.625 28.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.331 12.233 28.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.627 10.832 27.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.322 10.791 29.054 1.00 0.00 H new ATOM 1444 N LEU A 42 -8.037 5.879 29.092 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.394 5.467 28.635 1.00 0.00 C ATOM 1446 C LEU A 42 -10.058 4.514 29.634 1.00 0.00 C ATOM 1447 O LEU A 42 -11.254 4.565 29.837 1.00 0.00 O ATOM 1448 CB LEU A 42 -9.290 4.753 27.287 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.869 5.728 26.182 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -8.680 4.931 24.889 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.944 6.813 25.972 1.00 0.00 C ATOM 0 H LEU A 42 -7.260 5.512 28.542 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.000 6.369 28.549 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.566 3.941 27.356 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.250 4.303 27.034 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.941 6.224 26.466 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.380 5.605 24.087 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.908 4.176 25.037 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.618 4.444 24.622 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.624 7.494 25.183 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.885 6.343 25.686 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.084 7.371 26.898 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.319 3.620 30.233 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.946 2.639 31.173 1.00 0.00 C ATOM 1465 C HIS A 43 -9.904 3.124 32.625 1.00 0.00 C ATOM 1466 O HIS A 43 -10.762 2.773 33.412 1.00 0.00 O ATOM 1467 CB HIS A 43 -9.203 1.312 31.028 1.00 0.00 C ATOM 1468 CG HIS A 43 -9.613 0.677 29.728 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -9.293 1.224 28.493 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -10.322 -0.463 29.461 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -9.809 0.416 27.549 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -10.447 -0.627 28.084 1.00 0.00 N ATOM 0 H HIS A 43 -8.310 3.524 30.114 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.999 2.522 30.919 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.126 1.477 31.046 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.439 0.652 31.863 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.724 -1.134 30.206 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.718 0.590 26.487 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.924 -1.382 27.590 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.951 3.923 33.009 1.00 0.00 N ATOM 1481 CA GLY A 44 -8.927 4.404 34.418 1.00 0.00 C ATOM 1482 C GLY A 44 -8.572 3.273 35.392 1.00 0.00 C ATOM 1483 O GLY A 44 -8.772 3.406 36.583 1.00 0.00 O ATOM 0 H GLY A 44 -8.194 4.262 32.416 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.201 5.211 34.516 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.901 4.818 34.679 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.053 2.164 34.921 1.00 0.00 N ATOM 1488 CA VAL A 45 -7.700 1.047 35.857 1.00 0.00 C ATOM 1489 C VAL A 45 -6.389 0.390 35.431 1.00 0.00 C ATOM 1490 O VAL A 45 -6.053 0.340 34.265 1.00 0.00 O ATOM 1491 CB VAL A 45 -8.824 0.005 35.866 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -9.966 0.518 36.744 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.328 -0.221 34.435 1.00 0.00 C ATOM 0 H VAL A 45 -7.859 1.984 33.936 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.577 1.455 36.860 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.452 -0.940 36.263 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.772 -0.216 36.758 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.602 0.676 37.759 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.339 1.460 36.342 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.127 -0.962 34.444 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.708 0.717 34.031 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.508 -0.579 33.813 1.00 0.00 H new ATOM 1503 N VAL A 46 -5.640 -0.109 36.379 1.00 0.00 N ATOM 1504 CA VAL A 46 -4.344 -0.757 36.046 1.00 0.00 C ATOM 1505 C VAL A 46 -4.564 -1.743 34.900 1.00 0.00 C ATOM 1506 O VAL A 46 -5.680 -2.113 34.595 1.00 0.00 O ATOM 1507 CB VAL A 46 -3.829 -1.521 37.271 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -3.264 -0.552 38.311 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -4.986 -2.298 37.898 1.00 0.00 C ATOM 0 H VAL A 46 -5.874 -0.094 37.372 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.617 0.001 35.754 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.039 -2.202 36.953 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.903 -1.113 39.173 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.439 0.011 37.874 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.046 0.138 38.628 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.627 -2.844 38.770 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.769 -1.603 38.202 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.389 -3.002 37.170 1.00 0.00 H new ATOM 1519 N ARG A 47 -3.508 -2.146 34.245 1.00 0.00 N ATOM 1520 CA ARG A 47 -3.650 -3.087 33.097 1.00 0.00 C ATOM 1521 C ARG A 47 -2.482 -4.085 33.083 1.00 0.00 C ATOM 1522 O ARG A 47 -1.339 -3.685 33.189 1.00 0.00 O ATOM 1523 CB ARG A 47 -3.614 -2.274 31.804 1.00 0.00 C ATOM 1524 CG ARG A 47 -3.976 -3.168 30.614 1.00 0.00 C ATOM 1525 CD ARG A 47 -3.602 -2.473 29.301 1.00 0.00 C ATOM 1526 NE ARG A 47 -4.532 -2.925 28.229 1.00 0.00 N ATOM 1527 CZ ARG A 47 -4.544 -2.311 27.080 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -3.694 -1.347 26.853 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -5.402 -2.657 26.160 1.00 0.00 N ATOM 0 H ARG A 47 -2.551 -1.863 34.456 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.588 -3.635 33.188 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.313 -1.440 31.869 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.621 -1.847 31.660 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.452 -4.121 30.692 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.043 -3.389 30.626 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.661 -1.391 29.418 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.573 -2.709 29.030 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.158 -3.713 28.394 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.024 -1.077 27.574 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.699 -0.863 25.955 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.066 -3.410 26.339 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.409 -2.174 25.262 1.00 0.00 H new ATOM 1543 N PRO A 48 -2.742 -5.364 32.921 1.00 0.00 N ATOM 1544 CA PRO A 48 -1.664 -6.389 32.858 1.00 0.00 C ATOM 1545 C PRO A 48 -0.433 -5.870 32.102 1.00 0.00 C ATOM 1546 O PRO A 48 -0.351 -5.964 30.894 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.338 -7.537 32.101 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.772 -7.472 32.522 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.075 -5.992 32.791 1.00 0.00 C ATOM 0 HA PRO A 48 -1.288 -6.677 33.840 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.235 -7.416 31.023 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.892 -8.498 32.358 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.424 -7.867 31.743 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.943 -8.072 33.416 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.646 -5.548 31.975 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.665 -5.865 33.699 1.00 0.00 H new ATOM 1557 N LEU A 49 0.516 -5.313 32.805 1.00 0.00 N ATOM 1558 CA LEU A 49 1.733 -4.776 32.126 1.00 0.00 C ATOM 1559 C LEU A 49 2.403 -5.909 31.347 1.00 0.00 C ATOM 1560 O LEU A 49 3.252 -5.689 30.509 1.00 0.00 O ATOM 1561 CB LEU A 49 2.707 -4.206 33.165 1.00 0.00 C ATOM 1562 CG LEU A 49 1.997 -3.145 34.019 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.941 -2.652 35.124 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.569 -1.961 33.136 1.00 0.00 C ATOM 0 H LEU A 49 0.502 -5.206 33.819 1.00 0.00 H new ATOM 0 HA LEU A 49 1.450 -3.976 31.442 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.083 -5.007 33.802 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.569 -3.766 32.665 1.00 0.00 H new ATOM 0 HG LEU A 49 1.111 -3.589 34.474 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.433 -1.899 35.727 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.229 -3.491 35.757 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.832 -2.215 34.673 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.066 -1.213 33.749 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.449 -1.517 32.671 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.888 -2.313 32.361 1.00 0.00 H new ATOM 1576 N SER A 50 2.027 -7.126 31.626 1.00 0.00 N ATOM 1577 CA SER A 50 2.640 -8.279 30.910 1.00 0.00 C ATOM 1578 C SER A 50 2.341 -8.187 29.410 1.00 0.00 C ATOM 1579 O SER A 50 2.863 -8.943 28.618 1.00 0.00 O ATOM 1580 CB SER A 50 2.075 -9.583 31.471 1.00 0.00 C ATOM 1581 OG SER A 50 2.786 -10.678 30.912 1.00 0.00 O ATOM 0 H SER A 50 1.321 -7.372 32.320 1.00 0.00 H new ATOM 0 HA SER A 50 3.720 -8.258 31.055 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.162 -9.594 32.557 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.014 -9.665 31.236 1.00 0.00 H new ATOM 0 HG SER A 50 3.148 -10.421 30.038 1.00 0.00 H new ATOM 1587 N LEU A 51 1.501 -7.272 29.010 1.00 0.00 N ATOM 1588 CA LEU A 51 1.177 -7.144 27.563 1.00 0.00 C ATOM 1589 C LEU A 51 2.344 -6.471 26.841 1.00 0.00 C ATOM 1590 O LEU A 51 2.716 -6.844 25.745 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.057 -6.253 27.404 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.293 -6.919 28.021 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.362 -5.853 28.282 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -1.864 -7.977 27.066 1.00 0.00 C ATOM 0 H LEU A 51 1.026 -6.609 29.622 1.00 0.00 H new ATOM 0 HA LEU A 51 0.992 -8.133 27.145 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.120 -5.290 27.883 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.235 -6.055 26.347 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.005 -7.401 28.955 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.243 -6.321 28.721 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.969 -5.104 28.969 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.636 -5.374 27.342 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.741 -8.440 27.519 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.148 -7.503 26.126 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.109 -8.739 26.874 1.00 0.00 H new ATOM 1606 N LYS A 52 2.907 -5.467 27.449 1.00 0.00 N ATOM 1607 CA LYS A 52 4.039 -4.728 26.814 1.00 0.00 C ATOM 1608 C LYS A 52 5.035 -5.700 26.177 1.00 0.00 C ATOM 1609 O LYS A 52 5.090 -6.869 26.510 1.00 0.00 O ATOM 1610 CB LYS A 52 4.771 -3.883 27.865 1.00 0.00 C ATOM 1611 CG LYS A 52 5.831 -2.977 27.192 1.00 0.00 C ATOM 1612 CD LYS A 52 7.237 -3.582 27.338 1.00 0.00 C ATOM 1613 CE LYS A 52 7.805 -3.268 28.727 1.00 0.00 C ATOM 1614 NZ LYS A 52 8.890 -4.239 29.041 1.00 0.00 N ATOM 0 H LYS A 52 2.631 -5.121 28.368 1.00 0.00 H new ATOM 0 HA LYS A 52 3.626 -4.082 26.040 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.054 -3.270 28.411 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.252 -4.535 28.594 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.592 -2.852 26.136 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.808 -1.985 27.644 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.194 -4.661 27.190 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.896 -3.180 26.568 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.193 -2.250 28.753 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.017 -3.329 29.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.280 -4.031 29.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.505 -5.205 29.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.644 -4.159 28.329 1.00 0.00 H new ATOM 1628 N THR A 53 5.844 -5.202 25.275 1.00 0.00 N ATOM 1629 CA THR A 53 6.871 -6.054 24.613 1.00 0.00 C ATOM 1630 C THR A 53 8.092 -5.198 24.260 1.00 0.00 C ATOM 1631 O THR A 53 8.056 -3.986 24.342 1.00 0.00 O ATOM 1632 CB THR A 53 6.302 -6.673 23.337 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.358 -7.266 22.599 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.620 -5.601 22.483 1.00 0.00 C ATOM 0 H THR A 53 5.834 -4.229 24.968 1.00 0.00 H new ATOM 0 HA THR A 53 7.162 -6.852 25.296 1.00 0.00 H new ATOM 0 HB THR A 53 5.564 -7.429 23.604 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.776 -7.972 23.135 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.220 -6.057 21.578 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.808 -5.147 23.050 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.346 -4.835 22.212 1.00 0.00 H new ATOM 1642 N ASP A 54 9.181 -5.815 23.887 1.00 0.00 N ATOM 1643 CA ASP A 54 10.414 -5.040 23.547 1.00 0.00 C ATOM 1644 C ASP A 54 10.451 -4.744 22.041 1.00 0.00 C ATOM 1645 O ASP A 54 11.379 -4.128 21.548 1.00 0.00 O ATOM 1646 CB ASP A 54 11.641 -5.875 23.934 1.00 0.00 C ATOM 1647 CG ASP A 54 11.777 -5.924 25.460 1.00 0.00 C ATOM 1648 OD1 ASP A 54 11.137 -5.120 26.120 1.00 0.00 O ATOM 1649 OD2 ASP A 54 12.523 -6.763 25.940 1.00 0.00 O ATOM 0 H ASP A 54 9.272 -6.827 23.802 1.00 0.00 H new ATOM 0 HA ASP A 54 10.414 -4.096 24.091 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.545 -6.885 23.536 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.540 -5.443 23.494 1.00 0.00 H new ATOM 1654 N VAL A 55 9.443 -5.162 21.312 1.00 0.00 N ATOM 1655 CA VAL A 55 9.390 -4.896 19.837 1.00 0.00 C ATOM 1656 C VAL A 55 8.127 -4.088 19.540 1.00 0.00 C ATOM 1657 O VAL A 55 7.080 -4.342 20.099 1.00 0.00 O ATOM 1658 CB VAL A 55 9.346 -6.221 19.059 1.00 0.00 C ATOM 1659 CG1 VAL A 55 7.968 -6.884 19.191 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.624 -5.950 17.576 1.00 0.00 C ATOM 0 H VAL A 55 8.646 -5.682 21.680 1.00 0.00 H new ATOM 0 HA VAL A 55 10.278 -4.343 19.530 1.00 0.00 H new ATOM 0 HB VAL A 55 10.103 -6.888 19.472 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.960 -7.820 18.633 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.761 -7.086 20.242 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.204 -6.217 18.792 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.593 -6.889 17.023 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.867 -5.271 17.182 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.609 -5.497 17.467 1.00 0.00 H new ATOM 1670 N ILE A 56 8.218 -3.128 18.657 1.00 0.00 N ATOM 1671 CA ILE A 56 7.023 -2.300 18.303 1.00 0.00 C ATOM 1672 C ILE A 56 6.623 -2.599 16.860 1.00 0.00 C ATOM 1673 O ILE A 56 7.455 -2.693 15.979 1.00 0.00 O ATOM 1674 CB ILE A 56 7.353 -0.815 18.447 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.756 -0.536 19.898 1.00 0.00 C ATOM 1676 CG2 ILE A 56 6.115 0.015 18.087 1.00 0.00 C ATOM 1677 CD1 ILE A 56 8.363 0.862 20.011 1.00 0.00 C ATOM 0 H ILE A 56 9.074 -2.879 18.162 1.00 0.00 H new ATOM 0 HA ILE A 56 6.200 -2.544 18.975 1.00 0.00 H new ATOM 0 HB ILE A 56 8.173 -0.547 17.780 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.885 -0.617 20.548 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.476 -1.282 20.234 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.346 1.075 18.188 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.822 -0.196 17.059 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.296 -0.244 18.758 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.647 1.053 21.046 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.245 0.928 19.374 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.630 1.604 19.693 1.00 0.00 H new ATOM 1689 N LYS A 57 5.357 -2.765 16.618 1.00 0.00 N ATOM 1690 CA LYS A 57 4.896 -3.070 15.240 1.00 0.00 C ATOM 1691 C LYS A 57 4.877 -1.772 14.430 1.00 0.00 C ATOM 1692 O LYS A 57 4.277 -0.790 14.820 1.00 0.00 O ATOM 1693 CB LYS A 57 3.488 -3.664 15.324 1.00 0.00 C ATOM 1694 CG LYS A 57 3.035 -4.156 13.949 1.00 0.00 C ATOM 1695 CD LYS A 57 1.627 -4.742 14.061 1.00 0.00 C ATOM 1696 CE LYS A 57 1.183 -5.230 12.682 1.00 0.00 C ATOM 1697 NZ LYS A 57 -0.167 -5.851 12.779 1.00 0.00 N ATOM 0 H LYS A 57 4.618 -2.702 17.318 1.00 0.00 H new ATOM 0 HA LYS A 57 5.562 -3.783 14.754 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.477 -4.490 16.035 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.791 -2.913 15.697 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.043 -3.333 13.235 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.727 -4.910 13.574 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.617 -5.567 14.774 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.934 -3.989 14.436 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.160 -4.396 11.981 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.900 -5.954 12.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.465 -6.182 11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.132 -6.658 13.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.848 -5.148 13.131 1.00 0.00 H new ATOM 1711 N LYS A 58 5.555 -1.757 13.316 1.00 0.00 N ATOM 1712 CA LYS A 58 5.613 -0.526 12.478 1.00 0.00 C ATOM 1713 C LYS A 58 4.426 -0.458 11.517 1.00 0.00 C ATOM 1714 O LYS A 58 4.224 -1.338 10.707 1.00 0.00 O ATOM 1715 CB LYS A 58 6.910 -0.548 11.672 1.00 0.00 C ATOM 1716 CG LYS A 58 8.084 -0.330 12.624 1.00 0.00 C ATOM 1717 CD LYS A 58 9.399 -0.353 11.846 1.00 0.00 C ATOM 1718 CE LYS A 58 10.559 -0.140 12.819 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.298 1.080 13.630 1.00 0.00 N ATOM 0 H LYS A 58 6.076 -2.552 12.947 1.00 0.00 H new ATOM 0 HA LYS A 58 5.576 0.347 13.130 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.016 -1.501 11.154 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.893 0.230 10.909 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.973 0.624 13.139 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.091 -1.106 13.389 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.513 -1.305 11.328 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.399 0.427 11.084 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.668 -1.008 13.470 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.495 -0.034 12.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.198 1.454 13.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.839 1.800 13.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.675 0.840 14.427 1.00 0.00 H new ATOM 1733 N ARG A 59 3.647 0.590 11.589 1.00 0.00 N ATOM 1734 CA ARG A 59 2.484 0.725 10.667 1.00 0.00 C ATOM 1735 C ARG A 59 2.897 1.611 9.494 1.00 0.00 C ATOM 1736 O ARG A 59 3.992 2.140 9.464 1.00 0.00 O ATOM 1737 CB ARG A 59 1.311 1.371 11.403 1.00 0.00 C ATOM 1738 CG ARG A 59 0.798 0.401 12.470 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.425 0.994 13.173 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.619 0.929 12.285 1.00 0.00 N ATOM 1741 CZ ARG A 59 -2.805 1.099 12.798 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -2.934 1.285 14.081 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -3.863 1.093 12.033 1.00 0.00 N ATOM 0 H ARG A 59 3.768 1.359 12.248 1.00 0.00 H new ATOM 0 HA ARG A 59 2.179 -0.258 10.309 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.626 2.307 11.865 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.514 1.614 10.701 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.537 -0.552 12.011 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.584 0.200 13.198 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.621 0.449 14.096 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.226 2.029 13.450 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.510 0.753 11.286 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.109 1.297 14.680 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.860 1.418 14.486 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.764 0.955 11.027 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.788 1.227 12.441 1.00 0.00 H new ATOM 1757 N ASN A 60 2.047 1.771 8.522 1.00 0.00 N ATOM 1758 CA ASN A 60 2.415 2.605 7.344 1.00 0.00 C ATOM 1759 C ASN A 60 2.366 4.092 7.693 1.00 0.00 C ATOM 1760 O ASN A 60 2.261 4.481 8.838 1.00 0.00 O ATOM 1761 CB ASN A 60 1.441 2.331 6.195 1.00 0.00 C ATOM 1762 CG ASN A 60 1.713 0.944 5.614 1.00 0.00 C ATOM 1763 OD1 ASN A 60 2.833 0.474 5.642 1.00 0.00 O ATOM 1764 ND2 ASN A 60 0.732 0.268 5.087 1.00 0.00 N ATOM 0 H ASN A 60 1.113 1.361 8.491 1.00 0.00 H new ATOM 0 HA ASN A 60 3.431 2.345 7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.413 2.391 6.553 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.554 3.090 5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.903 -0.659 4.696 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.207 0.665 5.065 1.00 0.00 H new