USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=15 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 158:sc= 1.13 USER MOD Set 1.2: A 15 CYS SG : rot 83:sc= 0.683 USER MOD Set 1.3: A 17 THR OG1 : rot 127:sc= -0.752! USER MOD Set 1.4: A 33 CYS SG : rot -133:sc= 1.3 USER MOD Set 1.5: A 36 CYS SG : rot 145:sc= 0.202 USER MOD Set 2.1: A 20 THR OG1 : rot -117:sc= -0.782 USER MOD Set 2.2: A 34 ASN : amide:sc= -10.9! K(o=-12!,f=-0.35) USER MOD Single : A 11 THR OG1 : rot 32:sc= 0.0579 USER MOD Single : A 13 THR OG1 : rot 170:sc= 0.00326 USER MOD Single : A 14 ASN : amide:sc= -3.97! C(o=-4!,f=-3.9!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.45 X(o=-1.5,f=-1.2) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0865) USER MOD Single : A 43 HIS : no HE2:sc= -9.26! C(o=-9.3!,f=-13!) USER MOD Single : A 50 SER OG : rot -43:sc= 0.0748 USER MOD Single : A 52 LYS NZ :NH3+ 155:sc= -0.856 (180deg=-1.53) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0322 (180deg=-0.445) USER MOD Single : A 60 ASN : amide:sc= -0.387 K(o=-0.39,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.492 7.436 31.765 1.00 0.00 N ATOM 971 CA THR A 11 10.995 6.026 31.797 1.00 0.00 C ATOM 972 C THR A 11 9.494 6.009 32.094 1.00 0.00 C ATOM 973 O THR A 11 8.987 6.832 32.830 1.00 0.00 O ATOM 974 CB THR A 11 11.729 5.243 32.888 1.00 0.00 C ATOM 975 OG1 THR A 11 13.117 5.197 32.585 1.00 0.00 O ATOM 976 CG2 THR A 11 11.171 3.820 32.961 1.00 0.00 C ATOM 0 HA THR A 11 11.180 5.566 30.827 1.00 0.00 H new ATOM 0 HB THR A 11 11.584 5.736 33.849 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.377 6.018 32.118 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.695 3.263 33.738 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.107 3.858 33.196 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.313 3.324 32.001 1.00 0.00 H new ATOM 984 N CYS A 12 8.782 5.071 31.531 1.00 0.00 N ATOM 985 CA CYS A 12 7.316 4.997 31.786 1.00 0.00 C ATOM 986 C CYS A 12 7.070 4.468 33.199 1.00 0.00 C ATOM 987 O CYS A 12 7.270 3.304 33.483 1.00 0.00 O ATOM 988 CB CYS A 12 6.657 4.064 30.774 1.00 0.00 C ATOM 989 SG CYS A 12 4.879 4.400 30.755 1.00 0.00 S ATOM 0 H CYS A 12 9.152 4.354 30.907 1.00 0.00 H new ATOM 0 HA CYS A 12 6.886 5.994 31.687 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.082 4.220 29.783 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.843 3.024 31.041 1.00 0.00 H new ATOM 0 HG CYS A 12 4.372 3.989 29.631 1.00 0.00 H new ATOM 994 N THR A 13 6.627 5.316 34.082 1.00 0.00 N ATOM 995 CA THR A 13 6.365 4.878 35.480 1.00 0.00 C ATOM 996 C THR A 13 5.212 3.869 35.526 1.00 0.00 C ATOM 997 O THR A 13 4.950 3.280 36.555 1.00 0.00 O ATOM 998 CB THR A 13 6.019 6.094 36.344 1.00 0.00 C ATOM 999 OG1 THR A 13 5.029 6.877 35.692 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.276 6.937 36.567 1.00 0.00 C ATOM 0 H THR A 13 6.434 6.300 33.895 1.00 0.00 H new ATOM 0 HA THR A 13 7.263 4.396 35.866 1.00 0.00 H new ATOM 0 HB THR A 13 5.634 5.756 37.306 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.693 7.560 36.309 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.029 7.802 37.182 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.032 6.336 37.073 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.664 7.274 35.605 1.00 0.00 H new ATOM 1008 N ASN A 14 4.507 3.669 34.438 1.00 0.00 N ATOM 1009 CA ASN A 14 3.361 2.704 34.450 1.00 0.00 C ATOM 1010 C ASN A 14 3.749 1.365 33.813 1.00 0.00 C ATOM 1011 O ASN A 14 3.232 0.336 34.202 1.00 0.00 O ATOM 1012 CB ASN A 14 2.188 3.306 33.673 1.00 0.00 C ATOM 1013 CG ASN A 14 1.564 4.447 34.481 1.00 0.00 C ATOM 1014 OD1 ASN A 14 0.693 5.141 33.996 1.00 0.00 O ATOM 1015 ND2 ASN A 14 1.970 4.674 35.702 1.00 0.00 N ATOM 0 H ASN A 14 4.675 4.131 33.544 1.00 0.00 H new ATOM 0 HA ASN A 14 3.081 2.521 35.487 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.531 3.677 32.707 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.440 2.539 33.472 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.556 5.432 36.245 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.701 4.093 36.113 1.00 0.00 H new ATOM 1022 N CYS A 15 4.625 1.348 32.832 1.00 0.00 N ATOM 1023 CA CYS A 15 4.992 0.041 32.185 1.00 0.00 C ATOM 1024 C CYS A 15 6.501 -0.039 31.939 1.00 0.00 C ATOM 1025 O CYS A 15 6.979 -0.949 31.296 1.00 0.00 O ATOM 1026 CB CYS A 15 4.235 -0.111 30.859 1.00 0.00 C ATOM 1027 SG CYS A 15 5.028 0.870 29.559 1.00 0.00 S ATOM 0 H CYS A 15 5.097 2.170 32.455 1.00 0.00 H new ATOM 0 HA CYS A 15 4.711 -0.770 32.857 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.210 -1.161 30.566 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.201 0.210 30.985 1.00 0.00 H new ATOM 0 HG CYS A 15 6.017 0.197 29.050 1.00 0.00 H new ATOM 1032 N PHE A 16 7.256 0.885 32.468 1.00 0.00 N ATOM 1033 CA PHE A 16 8.741 0.854 32.301 1.00 0.00 C ATOM 1034 C PHE A 16 9.154 0.959 30.825 1.00 0.00 C ATOM 1035 O PHE A 16 10.326 0.907 30.513 1.00 0.00 O ATOM 1036 CB PHE A 16 9.297 -0.452 32.879 1.00 0.00 C ATOM 1037 CG PHE A 16 8.688 -0.719 34.238 1.00 0.00 C ATOM 1038 CD1 PHE A 16 9.109 0.015 35.355 1.00 0.00 C ATOM 1039 CD2 PHE A 16 7.706 -1.708 34.384 1.00 0.00 C ATOM 1040 CE1 PHE A 16 8.548 -0.239 36.613 1.00 0.00 C ATOM 1041 CE2 PHE A 16 7.145 -1.961 35.641 1.00 0.00 C ATOM 1042 CZ PHE A 16 7.565 -1.226 36.755 1.00 0.00 C ATOM 0 H PHE A 16 6.905 1.670 33.016 1.00 0.00 H new ATOM 0 HA PHE A 16 9.149 1.714 32.833 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.078 -1.280 32.205 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.382 -0.389 32.964 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.867 0.777 35.246 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.381 -2.276 33.525 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.874 0.326 37.474 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.388 -2.723 35.751 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.131 -1.420 37.725 1.00 0.00 H new ATOM 1052 N THR A 17 8.231 1.083 29.907 1.00 0.00 N ATOM 1053 CA THR A 17 8.638 1.158 28.470 1.00 0.00 C ATOM 1054 C THR A 17 9.674 2.271 28.283 1.00 0.00 C ATOM 1055 O THR A 17 9.481 3.390 28.712 1.00 0.00 O ATOM 1056 CB THR A 17 7.405 1.460 27.600 1.00 0.00 C ATOM 1057 OG1 THR A 17 6.619 0.286 27.474 1.00 0.00 O ATOM 1058 CG2 THR A 17 7.826 1.929 26.200 1.00 0.00 C ATOM 0 H THR A 17 7.228 1.135 30.084 1.00 0.00 H new ATOM 0 HA THR A 17 9.072 0.204 28.171 1.00 0.00 H new ATOM 0 HB THR A 17 6.830 2.252 28.080 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.694 0.482 27.732 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.938 2.136 25.603 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.426 2.835 26.285 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.414 1.149 25.716 1.00 0.00 H new ATOM 1066 N GLN A 18 10.766 1.963 27.626 1.00 0.00 N ATOM 1067 CA GLN A 18 11.828 2.985 27.375 1.00 0.00 C ATOM 1068 C GLN A 18 11.805 3.355 25.887 1.00 0.00 C ATOM 1069 O GLN A 18 12.294 4.394 25.489 1.00 0.00 O ATOM 1070 CB GLN A 18 13.192 2.394 27.746 1.00 0.00 C ATOM 1071 CG GLN A 18 14.295 3.427 27.498 1.00 0.00 C ATOM 1072 CD GLN A 18 15.645 2.835 27.910 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.701 1.778 28.506 1.00 0.00 O ATOM 1074 NE2 GLN A 18 16.742 3.488 27.639 1.00 0.00 N ATOM 0 H GLN A 18 10.968 1.037 27.249 1.00 0.00 H new ATOM 0 HA GLN A 18 11.651 3.876 27.978 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.194 2.092 28.793 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.382 1.498 27.155 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.315 3.709 26.445 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.094 4.334 28.067 1.00 0.00 H new ATOM 0 HE21 GLN A 18 16.697 4.376 27.139 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.645 3.111 27.928 1.00 0.00 H new ATOM 1083 N THR A 19 11.229 2.511 25.067 1.00 0.00 N ATOM 1084 CA THR A 19 11.149 2.793 23.600 1.00 0.00 C ATOM 1085 C THR A 19 9.712 3.188 23.260 1.00 0.00 C ATOM 1086 O THR A 19 8.776 2.482 23.580 1.00 0.00 O ATOM 1087 CB THR A 19 11.529 1.531 22.818 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.765 1.028 23.304 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.666 1.871 21.333 1.00 0.00 C ATOM 0 H THR A 19 10.806 1.629 25.355 1.00 0.00 H new ATOM 0 HA THR A 19 11.833 3.600 23.335 1.00 0.00 H new ATOM 0 HB THR A 19 10.753 0.777 22.947 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.008 0.220 22.806 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.936 0.973 20.778 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.718 2.257 20.959 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.442 2.625 21.203 1.00 0.00 H new ATOM 1097 N THR A 20 9.518 4.314 22.626 1.00 0.00 N ATOM 1098 CA THR A 20 8.127 4.734 22.295 1.00 0.00 C ATOM 1099 C THR A 20 8.158 5.870 21.258 1.00 0.00 C ATOM 1100 O THR A 20 9.063 6.680 21.258 1.00 0.00 O ATOM 1101 CB THR A 20 7.456 5.226 23.581 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.165 5.737 23.291 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.312 6.325 24.213 1.00 0.00 C ATOM 0 H THR A 20 10.254 4.954 22.326 1.00 0.00 H new ATOM 0 HA THR A 20 7.571 3.895 21.877 1.00 0.00 H new ATOM 0 HB THR A 20 7.360 4.392 24.276 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.135 6.692 23.507 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.836 6.676 25.128 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.300 5.928 24.447 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.412 7.156 23.514 1.00 0.00 H new ATOM 1111 N PRO A 21 7.182 5.939 20.379 1.00 0.00 N ATOM 1112 CA PRO A 21 7.120 7.008 19.335 1.00 0.00 C ATOM 1113 C PRO A 21 6.933 8.408 19.939 1.00 0.00 C ATOM 1114 O PRO A 21 7.289 9.402 19.336 1.00 0.00 O ATOM 1115 CB PRO A 21 5.918 6.608 18.460 1.00 0.00 C ATOM 1116 CG PRO A 21 5.073 5.734 19.331 1.00 0.00 C ATOM 1117 CD PRO A 21 6.039 5.014 20.270 1.00 0.00 C ATOM 0 HA PRO A 21 8.050 7.076 18.770 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.364 7.486 18.127 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.242 6.077 17.565 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.351 6.326 19.893 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.505 5.021 18.734 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.584 4.824 21.242 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.343 4.048 19.866 1.00 0.00 H new ATOM 1125 N VAL A 22 6.378 8.502 21.119 1.00 0.00 N ATOM 1126 CA VAL A 22 6.178 9.846 21.736 1.00 0.00 C ATOM 1127 C VAL A 22 5.839 9.701 23.227 1.00 0.00 C ATOM 1128 O VAL A 22 5.119 8.811 23.631 1.00 0.00 O ATOM 1129 CB VAL A 22 5.045 10.579 21.010 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.719 9.855 21.250 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.946 12.014 21.531 1.00 0.00 C ATOM 0 H VAL A 22 6.057 7.712 21.679 1.00 0.00 H new ATOM 0 HA VAL A 22 7.099 10.422 21.643 1.00 0.00 H new ATOM 0 HB VAL A 22 5.257 10.594 19.941 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.918 10.381 20.731 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.788 8.835 20.872 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.505 9.832 22.319 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.140 12.534 21.014 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.740 11.999 22.601 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.887 12.533 21.350 1.00 0.00 H new ATOM 1141 N TRP A 23 6.378 10.572 24.042 1.00 0.00 N ATOM 1142 CA TRP A 23 6.124 10.498 25.515 1.00 0.00 C ATOM 1143 C TRP A 23 4.859 11.285 25.893 1.00 0.00 C ATOM 1144 O TRP A 23 4.660 12.408 25.475 1.00 0.00 O ATOM 1145 CB TRP A 23 7.332 11.075 26.260 1.00 0.00 C ATOM 1146 CG TRP A 23 8.478 10.115 26.170 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.510 10.210 25.300 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.722 8.917 26.963 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.369 9.147 25.507 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.928 8.322 26.522 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.021 8.295 28.011 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.420 7.150 27.100 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.512 7.118 28.595 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.709 6.546 28.140 1.00 0.00 C ATOM 0 H TRP A 23 6.987 11.336 23.749 1.00 0.00 H new ATOM 0 HA TRP A 23 5.974 9.455 25.795 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.614 12.036 25.829 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.076 11.256 27.304 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.641 10.989 24.564 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.225 8.991 24.974 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.098 8.726 28.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.343 6.714 26.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.965 6.649 29.400 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.081 5.639 28.593 1.00 0.00 H new ATOM 1165 N ARG A 24 4.005 10.686 26.690 1.00 0.00 N ATOM 1166 CA ARG A 24 2.735 11.355 27.126 1.00 0.00 C ATOM 1167 C ARG A 24 2.897 11.884 28.556 1.00 0.00 C ATOM 1168 O ARG A 24 3.869 11.594 29.224 1.00 0.00 O ATOM 1169 CB ARG A 24 1.597 10.328 27.121 1.00 0.00 C ATOM 1170 CG ARG A 24 1.251 9.893 25.690 1.00 0.00 C ATOM 1171 CD ARG A 24 0.271 10.879 25.041 1.00 0.00 C ATOM 1172 NE ARG A 24 0.077 10.516 23.609 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.971 10.943 22.960 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.866 11.671 23.569 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.129 10.633 21.702 1.00 0.00 N ATOM 0 H ARG A 24 4.136 9.746 27.063 1.00 0.00 H new ATOM 0 HA ARG A 24 2.511 12.176 26.445 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.886 9.457 27.709 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.715 10.756 27.598 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.161 9.833 25.094 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.813 8.895 25.705 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.684 10.857 25.565 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.655 11.896 25.121 1.00 0.00 H new ATOM 0 HE ARG A 24 0.766 9.932 23.135 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.747 11.907 24.554 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.685 12.004 23.060 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.433 10.057 21.227 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.948 10.966 21.194 1.00 0.00 H new ATOM 1189 N ARG A 25 1.952 12.660 29.033 1.00 0.00 N ATOM 1190 CA ARG A 25 2.047 13.211 30.422 1.00 0.00 C ATOM 1191 C ARG A 25 0.669 13.170 31.094 1.00 0.00 C ATOM 1192 O ARG A 25 -0.346 13.026 30.442 1.00 0.00 O ATOM 1193 CB ARG A 25 2.542 14.657 30.360 1.00 0.00 C ATOM 1194 CG ARG A 25 4.008 14.665 29.928 1.00 0.00 C ATOM 1195 CD ARG A 25 4.513 16.106 29.862 1.00 0.00 C ATOM 1196 NE ARG A 25 5.853 16.128 29.212 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.354 17.256 28.796 1.00 0.00 C ATOM 1198 NH1 ARG A 25 5.691 18.366 28.970 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.519 17.275 28.207 1.00 0.00 N ATOM 0 H ARG A 25 1.116 12.936 28.518 1.00 0.00 H new ATOM 0 HA ARG A 25 2.746 12.608 31.002 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.939 15.231 29.656 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.434 15.134 31.334 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.609 14.090 30.633 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.114 14.187 28.954 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.813 16.724 29.299 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.576 16.528 30.865 1.00 0.00 H new ATOM 0 HE ARG A 25 6.377 15.261 29.093 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.781 18.350 29.431 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.082 19.250 28.645 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.037 16.407 28.073 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.911 18.158 27.881 1.00 0.00 H new ATOM 1213 N ASN A 26 0.632 13.280 32.401 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.666 13.235 33.147 1.00 0.00 C ATOM 1215 C ASN A 26 -0.715 14.422 34.127 1.00 0.00 C ATOM 1216 O ASN A 26 0.310 14.805 34.654 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.709 11.917 33.935 1.00 0.00 C ATOM 1218 CG ASN A 26 -2.143 11.591 34.354 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.934 11.132 33.554 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.515 11.810 35.586 1.00 0.00 N ATOM 0 H ASN A 26 1.456 13.401 32.989 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.513 13.295 32.463 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.309 11.108 33.324 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.074 11.993 34.818 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.469 11.596 35.876 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.852 12.195 36.258 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.871 15.010 34.385 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.991 16.158 35.342 1.00 0.00 C ATOM 1229 C PRO A 27 -1.227 15.957 36.662 1.00 0.00 C ATOM 1230 O PRO A 27 -1.229 16.820 37.515 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.496 16.244 35.608 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.123 15.768 34.343 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.191 14.680 33.796 1.00 0.00 C ATOM 0 HA PRO A 27 -1.554 17.062 34.918 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.786 15.621 36.454 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.800 17.264 35.843 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.121 15.371 34.527 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.231 16.585 33.629 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.523 13.685 34.092 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.157 14.694 32.707 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.557 14.846 36.835 1.00 0.00 N ATOM 1242 CA GLU A 28 0.221 14.621 38.090 1.00 0.00 C ATOM 1243 C GLU A 28 1.683 14.992 37.822 1.00 0.00 C ATOM 1244 O GLU A 28 2.462 15.205 38.731 1.00 0.00 O ATOM 1245 CB GLU A 28 0.131 13.146 38.486 1.00 0.00 C ATOM 1246 CG GLU A 28 -1.316 12.805 38.849 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.434 11.305 39.123 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -1.609 10.563 38.171 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -1.349 10.924 40.279 1.00 0.00 O ATOM 0 H GLU A 28 -0.515 14.083 36.159 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.180 15.232 38.899 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.469 12.516 37.664 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.787 12.945 39.333 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.625 13.371 39.728 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.983 13.090 38.035 1.00 0.00 H new ATOM 1256 N GLY A 29 2.051 15.073 36.571 1.00 0.00 N ATOM 1257 CA GLY A 29 3.453 15.432 36.207 1.00 0.00 C ATOM 1258 C GLY A 29 4.298 14.166 36.065 1.00 0.00 C ATOM 1259 O GLY A 29 5.503 14.225 35.910 1.00 0.00 O ATOM 0 H GLY A 29 1.433 14.904 35.777 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.462 15.992 35.272 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.881 16.081 36.971 1.00 0.00 H new ATOM 1263 N GLN A 30 3.679 13.017 36.096 1.00 0.00 N ATOM 1264 CA GLN A 30 4.444 11.746 35.943 1.00 0.00 C ATOM 1265 C GLN A 30 4.624 11.446 34.444 1.00 0.00 C ATOM 1266 O GLN A 30 3.729 11.698 33.660 1.00 0.00 O ATOM 1267 CB GLN A 30 3.661 10.613 36.609 1.00 0.00 C ATOM 1268 CG GLN A 30 3.479 10.939 38.093 1.00 0.00 C ATOM 1269 CD GLN A 30 2.855 9.742 38.812 1.00 0.00 C ATOM 1270 OE1 GLN A 30 3.500 9.095 39.612 1.00 0.00 O ATOM 1271 NE2 GLN A 30 1.615 9.420 38.560 1.00 0.00 N ATOM 0 H GLN A 30 2.673 12.903 36.221 1.00 0.00 H new ATOM 0 HA GLN A 30 5.423 11.836 36.413 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.690 10.493 36.128 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.193 9.669 36.493 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.442 11.184 38.542 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.842 11.816 38.207 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.073 9.964 37.888 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.188 8.625 39.035 1.00 0.00 H new ATOM 1280 N PRO A 31 5.755 10.920 34.028 1.00 0.00 N ATOM 1281 CA PRO A 31 6.006 10.603 32.590 1.00 0.00 C ATOM 1282 C PRO A 31 5.355 9.279 32.161 1.00 0.00 C ATOM 1283 O PRO A 31 5.341 8.319 32.903 1.00 0.00 O ATOM 1284 CB PRO A 31 7.530 10.500 32.527 1.00 0.00 C ATOM 1285 CG PRO A 31 7.906 9.943 33.859 1.00 0.00 C ATOM 1286 CD PRO A 31 6.923 10.564 34.860 1.00 0.00 C ATOM 0 HA PRO A 31 5.583 11.351 31.920 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.853 9.848 31.715 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.990 11.473 32.357 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.834 8.855 33.863 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.935 10.196 34.113 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.654 9.859 35.647 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.349 11.440 35.348 1.00 0.00 H new ATOM 1294 N LEU A 32 4.824 9.225 30.965 1.00 0.00 N ATOM 1295 CA LEU A 32 4.173 7.965 30.476 1.00 0.00 C ATOM 1296 C LEU A 32 4.519 7.730 29.004 1.00 0.00 C ATOM 1297 O LEU A 32 4.706 8.657 28.242 1.00 0.00 O ATOM 1298 CB LEU A 32 2.648 8.083 30.598 1.00 0.00 C ATOM 1299 CG LEU A 32 2.227 8.311 32.055 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.739 8.668 32.090 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.448 7.038 32.882 1.00 0.00 C ATOM 0 H LEU A 32 4.812 10.000 30.302 1.00 0.00 H new ATOM 0 HA LEU A 32 4.536 7.135 31.081 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.293 8.908 29.980 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.178 7.176 30.218 1.00 0.00 H new ATOM 0 HG LEU A 32 2.827 9.118 32.475 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.428 8.832 33.122 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.569 9.576 31.511 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.159 7.851 31.662 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.144 7.217 33.913 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.854 6.225 32.465 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.503 6.766 32.856 1.00 0.00 H new ATOM 1313 N CYS A 33 4.575 6.488 28.592 1.00 0.00 N ATOM 1314 CA CYS A 33 4.874 6.189 27.165 1.00 0.00 C ATOM 1315 C CYS A 33 3.620 6.474 26.339 1.00 0.00 C ATOM 1316 O CYS A 33 2.624 6.944 26.853 1.00 0.00 O ATOM 1317 CB CYS A 33 5.304 4.725 27.005 1.00 0.00 C ATOM 1318 SG CYS A 33 3.885 3.620 27.220 1.00 0.00 S ATOM 0 H CYS A 33 4.426 5.671 29.185 1.00 0.00 H new ATOM 0 HA CYS A 33 5.695 6.817 26.817 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.743 4.575 26.019 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.074 4.484 27.737 1.00 0.00 H new ATOM 0 HG CYS A 33 4.211 2.645 28.016 1.00 0.00 H new ATOM 1323 N ASN A 34 3.654 6.211 25.064 1.00 0.00 N ATOM 1324 CA ASN A 34 2.457 6.491 24.225 1.00 0.00 C ATOM 1325 C ASN A 34 1.323 5.505 24.531 1.00 0.00 C ATOM 1326 O ASN A 34 0.175 5.885 24.632 1.00 0.00 O ATOM 1327 CB ASN A 34 2.842 6.380 22.748 1.00 0.00 C ATOM 1328 CG ASN A 34 3.266 4.945 22.424 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.051 4.471 21.326 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.870 4.228 23.333 1.00 0.00 N ATOM 0 H ASN A 34 4.454 5.817 24.568 1.00 0.00 H new ATOM 0 HA ASN A 34 2.105 7.498 24.450 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.998 6.669 22.121 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.657 7.068 22.523 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.160 3.273 23.120 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.052 4.623 24.256 1.00 0.00 H new ATOM 1337 N ALA A 35 1.622 4.242 24.650 1.00 0.00 N ATOM 1338 CA ALA A 35 0.552 3.233 24.909 1.00 0.00 C ATOM 1339 C ALA A 35 -0.193 3.506 26.224 1.00 0.00 C ATOM 1340 O ALA A 35 -1.407 3.573 26.250 1.00 0.00 O ATOM 1341 CB ALA A 35 1.192 1.845 24.960 1.00 0.00 C ATOM 0 H ALA A 35 2.566 3.861 24.579 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.179 3.294 24.103 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.423 1.096 25.149 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.678 1.633 24.008 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.932 1.815 25.760 1.00 0.00 H new ATOM 1347 N CYS A 36 0.507 3.633 27.318 1.00 0.00 N ATOM 1348 CA CYS A 36 -0.189 3.863 28.619 1.00 0.00 C ATOM 1349 C CYS A 36 -1.083 5.099 28.534 1.00 0.00 C ATOM 1350 O CYS A 36 -2.173 5.125 29.069 1.00 0.00 O ATOM 1351 CB CYS A 36 0.840 4.083 29.730 1.00 0.00 C ATOM 1352 SG CYS A 36 1.719 2.539 30.063 1.00 0.00 S ATOM 0 H CYS A 36 1.525 3.588 27.369 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.797 2.986 28.840 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.547 4.859 29.435 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.343 4.432 30.635 1.00 0.00 H new ATOM 0 HG CYS A 36 2.957 2.800 30.363 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.632 6.126 27.875 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.460 7.358 27.774 1.00 0.00 C ATOM 1359 C GLY A 37 -2.754 7.064 27.014 1.00 0.00 C ATOM 1360 O GLY A 37 -3.830 7.444 27.432 1.00 0.00 O ATOM 0 H GLY A 37 0.271 6.167 27.403 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.692 7.732 28.771 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.899 8.141 27.263 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.658 6.406 25.892 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.879 6.108 25.094 1.00 0.00 C ATOM 1366 C LEU A 38 -4.763 5.068 25.798 1.00 0.00 C ATOM 1367 O LEU A 38 -5.932 5.294 26.031 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.447 5.569 23.728 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.546 6.602 23.036 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -2.014 6.027 21.717 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.336 7.894 22.772 1.00 0.00 C ATOM 0 H LEU A 38 -1.785 6.061 25.493 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.460 7.023 24.981 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.913 4.627 23.849 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.322 5.363 23.112 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.702 6.834 23.686 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.375 6.764 21.230 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.437 5.125 21.920 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.851 5.783 21.063 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.690 8.622 22.281 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.189 7.674 22.130 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.690 8.304 23.718 1.00 0.00 H new ATOM 1383 N PHE A 39 -4.224 3.921 26.112 1.00 0.00 N ATOM 1384 CA PHE A 39 -5.049 2.861 26.768 1.00 0.00 C ATOM 1385 C PHE A 39 -5.492 3.268 28.176 1.00 0.00 C ATOM 1386 O PHE A 39 -6.648 3.142 28.529 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.232 1.572 26.868 1.00 0.00 C ATOM 1388 CG PHE A 39 -5.119 0.451 27.363 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.410 0.337 28.730 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.656 -0.471 26.457 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.235 -0.698 29.187 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.480 -1.507 26.915 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.770 -1.620 28.279 1.00 0.00 C ATOM 0 H PHE A 39 -3.250 3.670 25.944 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.940 2.713 26.157 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.814 1.317 25.894 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.392 1.713 27.548 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.998 1.048 29.431 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.435 -0.383 25.404 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.459 -0.785 30.240 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.892 -2.219 26.215 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.406 -2.418 28.632 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.585 3.714 29.004 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.977 4.070 30.399 1.00 0.00 C ATOM 1405 C LEU A 40 -6.030 5.182 30.387 1.00 0.00 C ATOM 1406 O LEU A 40 -7.048 5.084 31.039 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.746 4.530 31.189 1.00 0.00 C ATOM 1408 CG LEU A 40 -4.034 4.464 32.699 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -4.040 3.004 33.193 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.957 5.255 33.449 1.00 0.00 C ATOM 0 H LEU A 40 -3.599 3.846 28.778 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.401 3.187 30.878 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.891 3.899 30.946 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.481 5.549 30.905 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.017 4.895 32.889 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.246 2.983 34.263 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.811 2.444 32.664 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.067 2.551 33.001 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.154 5.213 34.520 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.978 4.822 33.243 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.971 6.293 33.118 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.797 6.243 29.666 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.797 7.348 29.643 1.00 0.00 C ATOM 1424 C LYS A 41 -8.114 6.849 29.041 1.00 0.00 C ATOM 1425 O LYS A 41 -9.183 7.171 29.521 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.251 8.523 28.823 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.269 9.670 28.811 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.713 10.841 27.998 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.725 11.990 27.996 1.00 0.00 C ATOM 1430 NZ LYS A 41 -8.862 11.654 27.094 1.00 0.00 N ATOM 0 H LYS A 41 -4.965 6.393 29.096 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.984 7.684 30.663 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.308 8.867 29.248 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.042 8.200 27.803 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.211 9.330 28.380 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.483 9.991 29.831 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.767 11.176 28.424 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.507 10.522 26.976 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.090 12.168 29.007 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.244 12.910 27.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.450 12.499 26.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.494 11.325 26.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.437 10.903 27.526 1.00 0.00 H new ATOM 1444 N LEU A 42 -8.053 6.080 27.988 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.316 5.587 27.366 1.00 0.00 C ATOM 1446 C LEU A 42 -9.995 4.564 28.280 1.00 0.00 C ATOM 1447 O LEU A 42 -11.203 4.538 28.400 1.00 0.00 O ATOM 1448 CB LEU A 42 -9.003 4.928 26.018 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.566 5.988 24.997 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -8.025 5.287 23.747 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.750 6.894 24.610 1.00 0.00 C ATOM 0 H LEU A 42 -7.192 5.774 27.535 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.986 6.434 27.217 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.214 4.186 26.142 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.883 4.400 25.650 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.789 6.609 25.443 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.713 6.034 23.017 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.171 4.666 24.019 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.806 4.661 23.314 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.418 7.638 23.886 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.543 6.289 24.171 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.129 7.398 25.499 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.238 3.700 28.905 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.854 2.658 29.778 1.00 0.00 C ATOM 1465 C HIS A 43 -10.076 3.190 31.200 1.00 0.00 C ATOM 1466 O HIS A 43 -11.100 2.936 31.802 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.928 1.441 29.807 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.900 0.819 28.438 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.269 1.428 27.365 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.426 -0.351 27.950 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.432 0.631 26.294 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.130 -0.467 26.595 1.00 0.00 N ATOM 0 H HIS A 43 -8.220 3.671 28.848 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.828 2.380 29.376 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.923 1.739 30.107 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.279 0.718 30.543 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.772 2.318 27.384 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.984 -1.072 28.529 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.045 0.852 25.310 1.00 0.00 H new ATOM 1480 N GLY A 44 -9.153 3.934 31.746 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.352 4.478 33.120 1.00 0.00 C ATOM 1482 C GLY A 44 -9.241 3.377 34.181 1.00 0.00 C ATOM 1483 O GLY A 44 -9.638 3.569 35.313 1.00 0.00 O ATOM 0 H GLY A 44 -8.271 4.188 31.301 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.610 5.251 33.317 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.331 4.952 33.187 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.711 2.233 33.839 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.582 1.128 34.841 1.00 0.00 C ATOM 1489 C VAL A 45 -7.220 0.454 34.677 1.00 0.00 C ATOM 1490 O VAL A 45 -6.474 0.752 33.766 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.700 0.097 34.637 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -11.044 0.696 35.063 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.771 -0.295 33.160 1.00 0.00 C ATOM 0 H VAL A 45 -8.360 2.013 32.907 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.666 1.542 35.846 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.487 -0.784 35.242 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.834 -0.041 34.916 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.000 0.976 36.116 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.256 1.580 34.461 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.565 -1.027 33.016 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.979 0.590 32.558 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.819 -0.727 32.852 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.885 -0.446 35.560 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.567 -1.136 35.468 1.00 0.00 C ATOM 1505 C VAL A 46 -5.400 -1.764 34.082 1.00 0.00 C ATOM 1506 O VAL A 46 -6.361 -2.166 33.454 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.491 -2.223 36.539 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -5.407 -1.570 37.921 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.744 -3.098 36.467 1.00 0.00 C ATOM 0 H VAL A 46 -7.470 -0.734 36.344 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.769 -0.411 35.625 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.607 -2.838 36.371 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.353 -2.344 38.686 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.516 -0.944 37.974 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.292 -0.956 38.088 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.690 -3.874 37.231 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.628 -2.483 36.636 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.808 -3.562 35.483 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.183 -1.857 33.605 1.00 0.00 N ATOM 1520 CA ARG A 47 -3.921 -2.465 32.262 1.00 0.00 C ATOM 1521 C ARG A 47 -2.862 -3.568 32.409 1.00 0.00 C ATOM 1522 O ARG A 47 -1.741 -3.281 32.778 1.00 0.00 O ATOM 1523 CB ARG A 47 -3.367 -1.389 31.321 1.00 0.00 C ATOM 1524 CG ARG A 47 -3.172 -1.973 29.914 1.00 0.00 C ATOM 1525 CD ARG A 47 -2.429 -0.966 29.032 1.00 0.00 C ATOM 1526 NE ARG A 47 -0.976 -1.005 29.362 1.00 0.00 N ATOM 1527 CZ ARG A 47 -0.104 -0.458 28.561 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -0.496 0.109 27.452 1.00 0.00 N ATOM 1529 NH2 ARG A 47 1.166 -0.485 28.865 1.00 0.00 N ATOM 0 H ARG A 47 -3.349 -1.533 34.095 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.847 -2.877 31.861 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.052 -0.542 31.281 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.418 -1.014 31.703 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.609 -2.904 29.972 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.139 -2.212 29.473 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.582 -1.204 27.979 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.824 0.037 29.192 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.662 -1.462 30.218 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.487 0.125 27.210 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.189 0.536 26.828 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.474 -0.933 29.728 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.849 -0.058 28.240 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.165 -4.809 32.099 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.146 -5.893 32.191 1.00 0.00 C ATOM 1545 C PRO A 48 -0.850 -5.482 31.484 1.00 0.00 C ATOM 1546 O PRO A 48 -0.708 -5.619 30.286 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.813 -7.084 31.491 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.278 -6.849 31.657 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.471 -5.330 31.646 1.00 0.00 C ATOM 0 HA PRO A 48 -1.860 -6.123 33.217 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.536 -7.130 30.438 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.510 -8.029 31.942 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.841 -7.319 30.851 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.638 -7.280 32.591 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.724 -4.966 30.650 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.277 -5.024 32.312 1.00 0.00 H new ATOM 1557 N LEU A 49 0.086 -4.961 32.224 1.00 0.00 N ATOM 1558 CA LEU A 49 1.372 -4.516 31.616 1.00 0.00 C ATOM 1559 C LEU A 49 2.049 -5.705 30.927 1.00 0.00 C ATOM 1560 O LEU A 49 2.914 -5.542 30.089 1.00 0.00 O ATOM 1561 CB LEU A 49 2.276 -3.973 32.722 1.00 0.00 C ATOM 1562 CG LEU A 49 1.513 -2.920 33.535 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.404 -2.417 34.674 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.106 -1.743 32.631 1.00 0.00 C ATOM 0 H LEU A 49 0.016 -4.823 33.232 1.00 0.00 H new ATOM 0 HA LEU A 49 1.187 -3.736 30.877 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.601 -4.785 33.373 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.174 -3.533 32.289 1.00 0.00 H new ATOM 0 HG LEU A 49 0.611 -3.370 33.949 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.865 -1.668 35.254 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.674 -3.252 35.321 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.309 -1.972 34.259 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.565 -1.002 33.220 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.999 -1.286 32.205 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.465 -2.106 31.827 1.00 0.00 H new ATOM 1576 N SER A 50 1.667 -6.899 31.288 1.00 0.00 N ATOM 1577 CA SER A 50 2.287 -8.111 30.677 1.00 0.00 C ATOM 1578 C SER A 50 2.063 -8.123 29.162 1.00 0.00 C ATOM 1579 O SER A 50 2.639 -8.924 28.452 1.00 0.00 O ATOM 1580 CB SER A 50 1.658 -9.362 31.288 1.00 0.00 C ATOM 1581 OG SER A 50 2.453 -10.493 30.961 1.00 0.00 O ATOM 0 H SER A 50 0.947 -7.089 31.985 1.00 0.00 H new ATOM 0 HA SER A 50 3.359 -8.095 30.875 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.585 -9.255 32.370 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.644 -9.494 30.911 1.00 0.00 H new ATOM 0 HG SER A 50 2.729 -10.439 30.022 1.00 0.00 H new ATOM 1587 N LEU A 51 1.238 -7.249 28.654 1.00 0.00 N ATOM 1588 CA LEU A 51 0.993 -7.228 27.182 1.00 0.00 C ATOM 1589 C LEU A 51 2.218 -6.621 26.496 1.00 0.00 C ATOM 1590 O LEU A 51 2.599 -7.007 25.409 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.212 -6.336 26.879 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.456 -6.844 27.619 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.473 -5.706 27.731 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.099 -8.011 26.859 1.00 0.00 C ATOM 0 H LEU A 51 0.724 -6.551 29.191 1.00 0.00 H new ATOM 0 HA LEU A 51 0.807 -8.241 26.826 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.003 -5.310 27.178 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.401 -6.322 25.806 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.157 -7.188 28.609 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.360 -6.061 28.256 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.032 -4.877 28.284 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.753 -5.369 26.733 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.980 -8.357 27.400 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.392 -7.679 25.863 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.382 -8.828 26.773 1.00 0.00 H new ATOM 1606 N LYS A 52 2.820 -5.654 27.130 1.00 0.00 N ATOM 1607 CA LYS A 52 4.012 -4.976 26.540 1.00 0.00 C ATOM 1608 C LYS A 52 4.996 -5.974 25.924 1.00 0.00 C ATOM 1609 O LYS A 52 5.032 -7.140 26.260 1.00 0.00 O ATOM 1610 CB LYS A 52 4.741 -4.182 27.628 1.00 0.00 C ATOM 1611 CG LYS A 52 5.964 -3.494 27.014 1.00 0.00 C ATOM 1612 CD LYS A 52 6.535 -2.467 27.989 1.00 0.00 C ATOM 1613 CE LYS A 52 7.004 -3.157 29.276 1.00 0.00 C ATOM 1614 NZ LYS A 52 7.630 -4.472 28.956 1.00 0.00 N ATOM 0 H LYS A 52 2.535 -5.299 28.043 1.00 0.00 H new ATOM 0 HA LYS A 52 3.652 -4.316 25.750 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.072 -3.440 28.064 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.049 -4.846 28.435 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.724 -4.236 26.770 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.685 -3.005 26.081 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.370 -1.941 27.526 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.778 -1.719 28.225 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.720 -2.522 29.797 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.158 -3.302 29.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.297 -4.732 29.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.891 -5.200 28.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.139 -4.403 28.052 1.00 0.00 H new ATOM 1628 N THR A 53 5.831 -5.473 25.052 1.00 0.00 N ATOM 1629 CA THR A 53 6.890 -6.298 24.406 1.00 0.00 C ATOM 1630 C THR A 53 8.079 -5.377 24.124 1.00 0.00 C ATOM 1631 O THR A 53 7.978 -4.175 24.267 1.00 0.00 O ATOM 1632 CB THR A 53 6.382 -6.906 23.097 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.489 -7.313 22.305 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.551 -5.877 22.329 1.00 0.00 C ATOM 0 H THR A 53 5.821 -4.498 24.754 1.00 0.00 H new ATOM 0 HA THR A 53 7.178 -7.119 25.062 1.00 0.00 H new ATOM 0 HB THR A 53 5.756 -7.770 23.322 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.165 -7.704 21.467 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.194 -6.319 21.399 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.699 -5.571 22.936 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.167 -5.007 22.104 1.00 0.00 H new ATOM 1642 N ASP A 54 9.208 -5.909 23.739 1.00 0.00 N ATOM 1643 CA ASP A 54 10.392 -5.033 23.468 1.00 0.00 C ATOM 1644 C ASP A 54 10.440 -4.681 21.982 1.00 0.00 C ATOM 1645 O ASP A 54 11.372 -4.059 21.510 1.00 0.00 O ATOM 1646 CB ASP A 54 11.674 -5.778 23.846 1.00 0.00 C ATOM 1647 CG ASP A 54 11.761 -5.920 25.366 1.00 0.00 C ATOM 1648 OD1 ASP A 54 11.277 -5.035 26.052 1.00 0.00 O ATOM 1649 OD2 ASP A 54 12.307 -6.912 25.817 1.00 0.00 O ATOM 0 H ASP A 54 9.365 -6.907 23.600 1.00 0.00 H new ATOM 0 HA ASP A 54 10.307 -4.121 24.058 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.685 -6.763 23.378 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.543 -5.238 23.472 1.00 0.00 H new ATOM 1654 N VAL A 55 9.429 -5.065 21.250 1.00 0.00 N ATOM 1655 CA VAL A 55 9.366 -4.759 19.789 1.00 0.00 C ATOM 1656 C VAL A 55 8.046 -4.044 19.511 1.00 0.00 C ATOM 1657 O VAL A 55 7.030 -4.368 20.094 1.00 0.00 O ATOM 1658 CB VAL A 55 9.432 -6.058 18.987 1.00 0.00 C ATOM 1659 CG1 VAL A 55 9.297 -5.751 17.494 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.776 -6.741 19.244 1.00 0.00 C ATOM 0 H VAL A 55 8.629 -5.587 21.608 1.00 0.00 H new ATOM 0 HA VAL A 55 10.205 -4.127 19.497 1.00 0.00 H new ATOM 0 HB VAL A 55 8.619 -6.715 19.295 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.345 -6.680 16.926 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.341 -5.261 17.308 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.109 -5.093 17.183 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.828 -7.669 18.674 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.585 -6.079 18.935 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.874 -6.963 20.307 1.00 0.00 H new ATOM 1670 N ILE A 56 8.049 -3.075 18.632 1.00 0.00 N ATOM 1671 CA ILE A 56 6.790 -2.332 18.316 1.00 0.00 C ATOM 1672 C ILE A 56 6.434 -2.568 16.848 1.00 0.00 C ATOM 1673 O ILE A 56 7.254 -2.413 15.965 1.00 0.00 O ATOM 1674 CB ILE A 56 7.018 -0.841 18.579 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.386 -0.655 20.054 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.730 -0.066 18.282 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.862 0.779 20.301 1.00 0.00 C ATOM 0 H ILE A 56 8.873 -2.764 18.117 1.00 0.00 H new ATOM 0 HA ILE A 56 5.969 -2.682 18.941 1.00 0.00 H new ATOM 0 HB ILE A 56 7.819 -0.470 17.940 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.523 -0.873 20.682 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.169 -1.360 20.333 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.893 0.995 18.469 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.450 -0.212 17.239 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.930 -0.430 18.926 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.121 0.900 21.353 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.738 0.983 19.686 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.066 1.477 20.041 1.00 0.00 H new ATOM 1689 N LYS A 57 5.215 -2.952 16.582 1.00 0.00 N ATOM 1690 CA LYS A 57 4.802 -3.216 15.175 1.00 0.00 C ATOM 1691 C LYS A 57 4.546 -1.884 14.471 1.00 0.00 C ATOM 1692 O LYS A 57 3.853 -1.025 14.978 1.00 0.00 O ATOM 1693 CB LYS A 57 3.523 -4.060 15.173 1.00 0.00 C ATOM 1694 CG LYS A 57 3.155 -4.438 13.735 1.00 0.00 C ATOM 1695 CD LYS A 57 1.875 -5.287 13.729 1.00 0.00 C ATOM 1696 CE LYS A 57 2.189 -6.737 14.121 1.00 0.00 C ATOM 1697 NZ LYS A 57 1.046 -7.611 13.733 1.00 0.00 N ATOM 0 H LYS A 57 4.486 -3.094 17.281 1.00 0.00 H new ATOM 0 HA LYS A 57 5.590 -3.757 14.651 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.669 -4.960 15.770 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.707 -3.502 15.633 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.007 -3.537 13.139 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.972 -4.993 13.275 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.149 -4.865 14.424 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.420 -5.262 12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.101 -7.070 13.626 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.366 -6.805 15.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.256 -8.595 13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.186 -7.296 14.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.898 -7.553 12.705 1.00 0.00 H new ATOM 1711 N LYS A 58 5.099 -1.711 13.300 1.00 0.00 N ATOM 1712 CA LYS A 58 4.889 -0.438 12.551 1.00 0.00 C ATOM 1713 C LYS A 58 3.602 -0.549 11.732 1.00 0.00 C ATOM 1714 O LYS A 58 3.420 -1.482 10.975 1.00 0.00 O ATOM 1715 CB LYS A 58 6.077 -0.192 11.611 1.00 0.00 C ATOM 1716 CG LYS A 58 7.258 0.403 12.387 1.00 0.00 C ATOM 1717 CD LYS A 58 7.865 -0.650 13.318 1.00 0.00 C ATOM 1718 CE LYS A 58 9.180 -0.118 13.895 1.00 0.00 C ATOM 1719 NZ LYS A 58 8.929 1.165 14.614 1.00 0.00 N ATOM 0 H LYS A 58 5.688 -2.398 12.829 1.00 0.00 H new ATOM 0 HA LYS A 58 4.809 0.393 13.252 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.377 -1.129 11.141 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.781 0.486 10.810 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.015 0.763 11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.924 1.263 12.968 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.169 -0.884 14.124 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.043 -1.576 12.771 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.612 -0.850 14.577 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.903 0.038 13.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.741 1.385 15.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.798 1.931 13.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.072 1.075 15.197 1.00 0.00 H new ATOM 1733 N ARG A 59 2.702 0.387 11.881 1.00 0.00 N ATOM 1734 CA ARG A 59 1.419 0.325 11.119 1.00 0.00 C ATOM 1735 C ARG A 59 1.535 1.197 9.868 1.00 0.00 C ATOM 1736 O ARG A 59 2.521 1.876 9.660 1.00 0.00 O ATOM 1737 CB ARG A 59 0.278 0.843 12.002 1.00 0.00 C ATOM 1738 CG ARG A 59 0.160 -0.006 13.276 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.410 -1.391 12.953 1.00 0.00 C ATOM 1740 NE ARG A 59 -0.739 -2.100 14.221 1.00 0.00 N ATOM 1741 CZ ARG A 59 -1.539 -3.129 14.200 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -2.080 -3.510 13.076 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -1.801 -3.774 15.304 1.00 0.00 N ATOM 0 H ARG A 59 2.800 1.193 12.498 1.00 0.00 H new ATOM 0 HA ARG A 59 1.212 -0.705 10.828 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.459 1.885 12.267 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.661 0.813 11.449 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.140 -0.110 13.742 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.483 0.498 13.997 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.303 -1.294 12.336 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.313 -1.969 12.378 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.339 -1.781 15.104 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.877 -3.003 12.215 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.706 -4.315 13.058 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.380 -3.473 16.183 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.427 -4.579 15.288 1.00 0.00 H new ATOM 1757 N ASN A 60 0.543 1.164 9.021 1.00 0.00 N ATOM 1758 CA ASN A 60 0.601 1.966 7.767 1.00 0.00 C ATOM 1759 C ASN A 60 0.200 3.413 8.051 1.00 0.00 C ATOM 1760 O ASN A 60 0.208 3.863 9.180 1.00 0.00 O ATOM 1761 CB ASN A 60 -0.351 1.364 6.729 1.00 0.00 C ATOM 1762 CG ASN A 60 -1.797 1.517 7.203 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -2.048 1.694 8.379 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -2.766 1.458 6.329 1.00 0.00 N ATOM 0 H ASN A 60 -0.307 0.614 9.144 1.00 0.00 H new ATOM 0 HA ASN A 60 1.620 1.949 7.381 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.219 1.862 5.769 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.118 0.310 6.576 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.734 1.561 6.633 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.554 1.309 5.342 1.00 0.00 H new