USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 CYS SG : rot 155:sc= 1.3 USER MOD Set 1.2: A 15 CYS SG : rot -58:sc= 0.026 USER MOD Set 1.3: A 17 THR OG1 : rot 103:sc= 1.15 USER MOD Set 1.4: A 33 CYS SG : rot -132:sc= 1.19 USER MOD Set 1.5: A 36 CYS SG : rot 84:sc= -3.78! USER MOD Set 1.6: A 52 LYS NZ :NH3+ -154:sc= 0.871 (180deg=-0.875) USER MOD Set 2.1: A 20 THR OG1 : rot 84:sc= 0.595 USER MOD Set 2.2: A 34 ASN : amide:sc= -17.4! C(o=-17!,f=-13!) USER MOD Single : A 11 THR OG1 : rot 29:sc= 0.399 USER MOD Single : A 13 THR OG1 : rot 160:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -2.8! C(o=-2.8!,f=-3.4!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.4) USER MOD Single : A 30 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.54) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= -0.0367 (180deg=-0.436) USER MOD Single : A 43 HIS : no HE2:sc= -6.24! C(o=-6.2!,f=-10!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -144:sc= -0.0943 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0259 X(o=-0.026,f=0) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.626 7.673 31.221 1.00 0.00 N ATOM 971 CA THR A 11 11.257 6.224 31.167 1.00 0.00 C ATOM 972 C THR A 11 9.781 6.063 31.548 1.00 0.00 C ATOM 973 O THR A 11 9.289 6.721 32.444 1.00 0.00 O ATOM 974 CB THR A 11 12.131 5.442 32.159 1.00 0.00 C ATOM 975 OG1 THR A 11 13.480 5.859 32.011 1.00 0.00 O ATOM 976 CG2 THR A 11 12.046 3.927 31.890 1.00 0.00 C ATOM 0 HA THR A 11 11.417 5.840 30.159 1.00 0.00 H new ATOM 0 HB THR A 11 11.774 5.639 33.170 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.503 6.791 31.709 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.673 3.395 32.605 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.013 3.596 31.997 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.392 3.717 30.878 1.00 0.00 H new ATOM 984 N CYS A 12 9.067 5.199 30.876 1.00 0.00 N ATOM 985 CA CYS A 12 7.624 5.010 31.208 1.00 0.00 C ATOM 986 C CYS A 12 7.485 4.485 32.638 1.00 0.00 C ATOM 987 O CYS A 12 7.805 3.349 32.927 1.00 0.00 O ATOM 988 CB CYS A 12 6.990 4.013 30.237 1.00 0.00 C ATOM 989 SG CYS A 12 5.190 4.213 30.274 1.00 0.00 S ATOM 0 H CYS A 12 9.418 4.618 30.115 1.00 0.00 H new ATOM 0 HA CYS A 12 7.114 5.970 31.122 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.366 4.180 29.228 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.261 2.994 30.514 1.00 0.00 H new ATOM 0 HG CYS A 12 4.684 3.795 29.152 1.00 0.00 H new ATOM 994 N THR A 13 7.001 5.301 33.533 1.00 0.00 N ATOM 995 CA THR A 13 6.843 4.852 34.943 1.00 0.00 C ATOM 996 C THR A 13 5.792 3.743 35.026 1.00 0.00 C ATOM 997 O THR A 13 5.669 3.081 36.036 1.00 0.00 O ATOM 998 CB THR A 13 6.402 6.026 35.820 1.00 0.00 C ATOM 999 OG1 THR A 13 5.144 6.506 35.368 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.439 7.147 35.740 1.00 0.00 C ATOM 0 H THR A 13 6.708 6.260 33.348 1.00 0.00 H new ATOM 0 HA THR A 13 7.802 4.472 35.296 1.00 0.00 H new ATOM 0 HB THR A 13 6.314 5.693 36.854 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.712 7.017 36.084 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.122 7.981 36.366 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.403 6.777 36.090 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.533 7.483 34.707 1.00 0.00 H new ATOM 1008 N ASN A 14 5.027 3.528 33.984 1.00 0.00 N ATOM 1009 CA ASN A 14 3.985 2.456 34.030 1.00 0.00 C ATOM 1010 C ASN A 14 4.517 1.173 33.384 1.00 0.00 C ATOM 1011 O ASN A 14 4.157 0.086 33.792 1.00 0.00 O ATOM 1012 CB ASN A 14 2.732 2.920 33.280 1.00 0.00 C ATOM 1013 CG ASN A 14 1.971 3.941 34.130 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.320 4.180 35.269 1.00 0.00 O ATOM 1015 ND2 ASN A 14 0.929 4.546 33.626 1.00 0.00 N ATOM 0 H ASN A 14 5.079 4.046 33.107 1.00 0.00 H new ATOM 0 HA ASN A 14 3.735 2.255 35.072 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.012 3.364 32.325 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.091 2.066 33.059 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.408 5.219 34.189 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.636 4.346 32.670 1.00 0.00 H new ATOM 1022 N CYS A 15 5.356 1.268 32.377 1.00 0.00 N ATOM 1023 CA CYS A 15 5.878 0.023 31.725 1.00 0.00 C ATOM 1024 C CYS A 15 7.360 0.188 31.363 1.00 0.00 C ATOM 1025 O CYS A 15 7.888 -0.537 30.543 1.00 0.00 O ATOM 1026 CB CYS A 15 5.050 -0.297 30.471 1.00 0.00 C ATOM 1027 SG CYS A 15 5.594 0.705 29.062 1.00 0.00 S ATOM 0 H CYS A 15 5.698 2.144 31.982 1.00 0.00 H new ATOM 0 HA CYS A 15 5.789 -0.806 32.427 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.145 -1.355 30.228 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.995 -0.109 30.670 1.00 0.00 H new ATOM 0 HG CYS A 15 5.497 1.966 29.363 1.00 0.00 H new ATOM 1032 N PHE A 16 8.034 1.119 31.982 1.00 0.00 N ATOM 1033 CA PHE A 16 9.489 1.334 31.720 1.00 0.00 C ATOM 1034 C PHE A 16 9.835 1.351 30.227 1.00 0.00 C ATOM 1035 O PHE A 16 10.996 1.394 29.869 1.00 0.00 O ATOM 1036 CB PHE A 16 10.318 0.263 32.440 1.00 0.00 C ATOM 1037 CG PHE A 16 10.114 -1.095 31.809 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.930 -1.503 30.747 1.00 0.00 C ATOM 1039 CD2 PHE A 16 9.130 -1.959 32.307 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.758 -2.772 30.180 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.955 -3.225 31.737 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.770 -3.632 30.674 1.00 0.00 C ATOM 0 H PHE A 16 7.631 1.753 32.672 1.00 0.00 H new ATOM 0 HA PHE A 16 9.736 2.321 32.111 1.00 0.00 H new ATOM 0 HB2 PHE A 16 11.374 0.530 32.403 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.035 0.225 33.492 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.692 -0.839 30.365 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.506 -1.648 33.132 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.388 -3.087 29.361 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.192 -3.888 32.117 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.636 -4.610 30.235 1.00 0.00 H new ATOM 1052 N THR A 17 8.878 1.315 29.341 1.00 0.00 N ATOM 1053 CA THR A 17 9.237 1.323 27.892 1.00 0.00 C ATOM 1054 C THR A 17 10.140 2.528 27.606 1.00 0.00 C ATOM 1055 O THR A 17 9.750 3.661 27.788 1.00 0.00 O ATOM 1056 CB THR A 17 7.954 1.427 27.052 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.335 0.151 26.980 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.273 1.918 25.633 1.00 0.00 C ATOM 0 H THR A 17 7.880 1.281 29.550 1.00 0.00 H new ATOM 0 HA THR A 17 9.763 0.404 27.635 1.00 0.00 H new ATOM 0 HB THR A 17 7.282 2.143 27.526 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.573 0.122 27.596 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.351 1.985 25.055 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.741 2.901 25.685 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.954 1.217 25.150 1.00 0.00 H new ATOM 1066 N GLN A 18 11.341 2.282 27.148 1.00 0.00 N ATOM 1067 CA GLN A 18 12.278 3.403 26.836 1.00 0.00 C ATOM 1068 C GLN A 18 12.183 3.742 25.345 1.00 0.00 C ATOM 1069 O GLN A 18 12.785 4.690 24.881 1.00 0.00 O ATOM 1070 CB GLN A 18 13.710 2.974 27.165 1.00 0.00 C ATOM 1071 CG GLN A 18 13.868 2.813 28.679 1.00 0.00 C ATOM 1072 CD GLN A 18 15.283 2.321 28.992 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.798 1.450 28.318 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.942 2.847 29.989 1.00 0.00 N ATOM 0 H GLN A 18 11.714 1.349 26.976 1.00 0.00 H new ATOM 0 HA GLN A 18 12.012 4.278 27.430 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.942 2.034 26.664 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.416 3.716 26.793 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.683 3.764 29.178 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.132 2.105 29.059 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.512 3.578 30.556 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.887 2.527 30.201 1.00 0.00 H new ATOM 1083 N THR A 19 11.430 2.975 24.594 1.00 0.00 N ATOM 1084 CA THR A 19 11.281 3.240 23.128 1.00 0.00 C ATOM 1085 C THR A 19 9.805 3.498 22.817 1.00 0.00 C ATOM 1086 O THR A 19 8.940 2.732 23.195 1.00 0.00 O ATOM 1087 CB THR A 19 11.755 2.013 22.342 1.00 0.00 C ATOM 1088 OG1 THR A 19 13.118 1.757 22.645 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.603 2.274 20.844 1.00 0.00 C ATOM 0 H THR A 19 10.907 2.169 24.937 1.00 0.00 H new ATOM 0 HA THR A 19 11.877 4.108 22.846 1.00 0.00 H new ATOM 0 HB THR A 19 11.152 1.148 22.619 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.422 0.971 22.144 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.941 1.400 20.286 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.556 2.469 20.613 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.204 3.139 20.562 1.00 0.00 H new ATOM 1097 N THR A 20 9.504 4.578 22.145 1.00 0.00 N ATOM 1098 CA THR A 20 8.078 4.883 21.835 1.00 0.00 C ATOM 1099 C THR A 20 8.002 5.997 20.777 1.00 0.00 C ATOM 1100 O THR A 20 8.845 6.871 20.750 1.00 0.00 O ATOM 1101 CB THR A 20 7.404 5.366 23.122 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.032 5.638 22.878 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.100 6.641 23.607 1.00 0.00 C ATOM 0 H THR A 20 10.181 5.258 21.799 1.00 0.00 H new ATOM 0 HA THR A 20 7.580 3.993 21.450 1.00 0.00 H new ATOM 0 HB THR A 20 7.482 4.590 23.884 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.517 4.807 22.944 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.624 6.989 24.524 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.151 6.430 23.802 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.021 7.413 22.841 1.00 0.00 H new ATOM 1111 N PRO A 21 7.005 5.991 19.919 1.00 0.00 N ATOM 1112 CA PRO A 21 6.860 7.052 18.878 1.00 0.00 C ATOM 1113 C PRO A 21 6.809 8.458 19.495 1.00 0.00 C ATOM 1114 O PRO A 21 7.213 9.426 18.882 1.00 0.00 O ATOM 1115 CB PRO A 21 5.548 6.707 18.143 1.00 0.00 C ATOM 1116 CG PRO A 21 4.851 5.682 18.987 1.00 0.00 C ATOM 1117 CD PRO A 21 5.925 4.993 19.832 1.00 0.00 C ATOM 0 HA PRO A 21 7.715 7.072 18.202 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.928 7.594 18.017 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.752 6.317 17.146 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.102 6.152 19.624 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.329 4.958 18.362 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.547 4.727 20.819 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.270 4.071 19.364 1.00 0.00 H new ATOM 1125 N VAL A 22 6.333 8.577 20.706 1.00 0.00 N ATOM 1126 CA VAL A 22 6.280 9.922 21.355 1.00 0.00 C ATOM 1127 C VAL A 22 5.974 9.761 22.847 1.00 0.00 C ATOM 1128 O VAL A 22 5.418 8.771 23.277 1.00 0.00 O ATOM 1129 CB VAL A 22 5.217 10.804 20.682 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.829 10.168 20.803 1.00 0.00 C ATOM 1131 CG2 VAL A 22 5.197 12.178 21.355 1.00 0.00 C ATOM 0 H VAL A 22 5.980 7.806 21.273 1.00 0.00 H new ATOM 0 HA VAL A 22 7.248 10.410 21.240 1.00 0.00 H new ATOM 0 HB VAL A 22 5.468 10.905 19.626 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.092 10.809 20.320 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.833 9.191 20.319 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.573 10.051 21.856 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.443 12.805 20.879 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.958 12.062 22.412 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.176 12.647 21.254 1.00 0.00 H new ATOM 1141 N TRP A 23 6.350 10.724 23.645 1.00 0.00 N ATOM 1142 CA TRP A 23 6.097 10.623 25.114 1.00 0.00 C ATOM 1143 C TRP A 23 4.790 11.320 25.484 1.00 0.00 C ATOM 1144 O TRP A 23 4.520 12.431 25.073 1.00 0.00 O ATOM 1145 CB TRP A 23 7.260 11.256 25.882 1.00 0.00 C ATOM 1146 CG TRP A 23 8.438 10.340 25.810 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.479 10.473 24.959 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.699 9.141 26.594 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.366 9.435 25.173 1.00 0.00 N ATOM 1150 CE2 TRP A 23 9.931 8.587 26.171 1.00 0.00 C ATOM 1151 CE3 TRP A 23 7.996 8.489 27.622 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.445 7.425 26.747 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.509 7.320 28.203 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.731 6.789 27.767 1.00 0.00 C ATOM 0 H TRP A 23 6.822 11.577 23.344 1.00 0.00 H new ATOM 0 HA TRP A 23 6.015 9.570 25.383 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.510 12.227 25.455 1.00 0.00 H new ATOM 0 HB3 TRP A 23 6.978 11.427 26.921 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.598 11.261 24.231 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.236 9.311 24.656 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.055 8.891 27.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.387 7.020 26.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.959 6.826 28.991 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.121 5.889 28.219 1.00 0.00 H new ATOM 1165 N ARG A 24 3.983 10.664 26.274 1.00 0.00 N ATOM 1166 CA ARG A 24 2.684 11.254 26.711 1.00 0.00 C ATOM 1167 C ARG A 24 2.852 11.778 28.136 1.00 0.00 C ATOM 1168 O ARG A 24 3.839 11.511 28.793 1.00 0.00 O ATOM 1169 CB ARG A 24 1.598 10.171 26.702 1.00 0.00 C ATOM 1170 CG ARG A 24 1.274 9.731 25.267 1.00 0.00 C ATOM 1171 CD ARG A 24 0.292 10.707 24.605 1.00 0.00 C ATOM 1172 NE ARG A 24 0.037 10.278 23.202 1.00 0.00 N ATOM 1173 CZ ARG A 24 -1.025 10.704 22.573 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.883 11.471 23.187 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.234 10.352 21.334 1.00 0.00 N ATOM 0 H ARG A 24 4.172 9.731 26.640 1.00 0.00 H new ATOM 0 HA ARG A 24 2.394 12.060 26.037 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.931 9.311 27.284 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.696 10.551 27.182 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.192 9.679 24.682 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.846 8.729 25.277 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.643 10.734 25.164 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.701 11.717 24.619 1.00 0.00 H new ATOM 0 HE ARG A 24 0.691 9.652 22.733 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.724 11.738 24.159 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.713 11.804 22.696 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.568 9.744 20.857 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.063 10.685 20.842 1.00 0.00 H new ATOM 1189 N ARG A 25 1.893 12.520 28.620 1.00 0.00 N ATOM 1190 CA ARG A 25 1.975 13.069 30.006 1.00 0.00 C ATOM 1191 C ARG A 25 0.620 12.915 30.692 1.00 0.00 C ATOM 1192 O ARG A 25 -0.387 12.671 30.057 1.00 0.00 O ATOM 1193 CB ARG A 25 2.384 14.541 29.954 1.00 0.00 C ATOM 1194 CG ARG A 25 3.876 14.630 29.632 1.00 0.00 C ATOM 1195 CD ARG A 25 4.255 16.078 29.332 1.00 0.00 C ATOM 1196 NE ARG A 25 3.741 16.968 30.409 1.00 0.00 N ATOM 1197 CZ ARG A 25 4.183 18.192 30.502 1.00 0.00 C ATOM 1198 NH1 ARG A 25 5.073 18.628 29.653 1.00 0.00 N ATOM 1199 NH2 ARG A 25 3.732 18.981 31.439 1.00 0.00 N ATOM 0 H ARG A 25 1.047 12.772 28.109 1.00 0.00 H new ATOM 0 HA ARG A 25 2.725 12.520 30.576 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.803 15.067 29.196 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.175 15.024 30.908 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.462 14.258 30.473 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.111 13.998 28.775 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.338 16.172 29.257 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.841 16.380 28.370 1.00 0.00 H new ATOM 0 HE ARG A 25 3.046 16.622 31.071 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.422 18.012 28.918 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.420 19.585 29.724 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.033 18.641 32.100 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.078 19.938 31.511 1.00 0.00 H new ATOM 1213 N ASN A 26 0.602 13.022 31.992 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.667 12.850 32.765 1.00 0.00 C ATOM 1215 C ASN A 26 -0.806 14.009 33.765 1.00 0.00 C ATOM 1216 O ASN A 26 0.188 14.498 34.258 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.556 11.520 33.528 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.940 11.026 33.946 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.663 10.461 33.150 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.345 11.221 35.171 1.00 0.00 N ATOM 0 H ASN A 26 1.423 13.224 32.562 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.535 12.846 32.106 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.071 10.773 32.900 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.072 11.651 34.410 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.269 10.899 35.460 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.738 11.695 35.839 1.00 0.00 H new ATOM 1227 N PRO A 27 -2.007 14.453 34.084 1.00 0.00 N ATOM 1228 CA PRO A 27 -2.204 15.558 35.073 1.00 0.00 C ATOM 1229 C PRO A 27 -1.368 15.387 36.352 1.00 0.00 C ATOM 1230 O PRO A 27 -1.371 16.242 37.216 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.699 15.488 35.400 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.332 14.945 34.162 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.305 13.990 33.541 1.00 0.00 C ATOM 0 HA PRO A 27 -1.883 16.515 34.662 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.887 14.842 36.257 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.096 16.472 35.649 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.259 14.421 34.396 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.585 15.748 33.470 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.506 12.955 33.816 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.322 14.039 32.452 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.629 14.312 36.472 1.00 0.00 N ATOM 1242 CA GLU A 28 0.231 14.110 37.678 1.00 0.00 C ATOM 1243 C GLU A 28 1.661 14.513 37.313 1.00 0.00 C ATOM 1244 O GLU A 28 2.489 14.773 38.164 1.00 0.00 O ATOM 1245 CB GLU A 28 0.199 12.635 38.088 1.00 0.00 C ATOM 1246 CG GLU A 28 -1.183 12.290 38.649 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.268 10.787 38.921 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -0.238 10.134 38.863 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.360 10.315 39.191 1.00 0.00 O ATOM 0 H GLU A 28 -0.585 13.562 35.782 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.131 14.714 38.510 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.422 12.003 37.229 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.966 12.438 38.837 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.362 12.847 39.569 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.958 12.586 37.942 1.00 0.00 H new ATOM 1256 N GLY A 29 1.945 14.559 36.039 1.00 0.00 N ATOM 1257 CA GLY A 29 3.309 14.935 35.568 1.00 0.00 C ATOM 1258 C GLY A 29 4.195 13.693 35.497 1.00 0.00 C ATOM 1259 O GLY A 29 5.398 13.787 35.357 1.00 0.00 O ATOM 0 H GLY A 29 1.280 14.349 35.295 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.248 15.405 34.587 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.748 15.667 36.245 1.00 0.00 H new ATOM 1263 N GLN A 30 3.613 12.526 35.566 1.00 0.00 N ATOM 1264 CA GLN A 30 4.426 11.279 35.478 1.00 0.00 C ATOM 1265 C GLN A 30 4.596 10.910 33.992 1.00 0.00 C ATOM 1266 O GLN A 30 3.614 10.675 33.319 1.00 0.00 O ATOM 1267 CB GLN A 30 3.677 10.146 36.182 1.00 0.00 C ATOM 1268 CG GLN A 30 3.429 10.519 37.646 1.00 0.00 C ATOM 1269 CD GLN A 30 2.637 9.399 38.323 1.00 0.00 C ATOM 1270 OE1 GLN A 30 2.337 9.475 39.499 1.00 0.00 O ATOM 1271 NE2 GLN A 30 2.283 8.355 37.625 1.00 0.00 N ATOM 0 H GLN A 30 2.610 12.382 35.680 1.00 0.00 H new ATOM 0 HA GLN A 30 5.398 11.430 35.947 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.728 9.958 35.679 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.256 9.224 36.125 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.378 10.672 38.160 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.878 11.458 37.706 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.535 8.292 36.639 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.754 7.602 38.066 1.00 0.00 H new ATOM 1280 N PRO A 31 5.799 10.844 33.460 1.00 0.00 N ATOM 1281 CA PRO A 31 5.994 10.474 32.022 1.00 0.00 C ATOM 1282 C PRO A 31 5.382 9.105 31.672 1.00 0.00 C ATOM 1283 O PRO A 31 5.492 8.153 32.419 1.00 0.00 O ATOM 1284 CB PRO A 31 7.523 10.433 31.839 1.00 0.00 C ATOM 1285 CG PRO A 31 8.097 11.208 32.984 1.00 0.00 C ATOM 1286 CD PRO A 31 7.084 11.129 34.130 1.00 0.00 C ATOM 0 HA PRO A 31 5.497 11.189 31.366 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.889 9.406 31.841 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.814 10.873 30.885 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.057 10.792 33.289 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.275 12.244 32.697 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.346 10.344 34.839 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.042 12.063 34.690 1.00 0.00 H new ATOM 1294 N LEU A 32 4.752 9.010 30.527 1.00 0.00 N ATOM 1295 CA LEU A 32 4.134 7.714 30.089 1.00 0.00 C ATOM 1296 C LEU A 32 4.407 7.497 28.599 1.00 0.00 C ATOM 1297 O LEU A 32 4.473 8.436 27.831 1.00 0.00 O ATOM 1298 CB LEU A 32 2.616 7.760 30.291 1.00 0.00 C ATOM 1299 CG LEU A 32 2.270 7.990 31.764 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.769 8.273 31.880 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.619 6.748 32.596 1.00 0.00 C ATOM 0 H LEU A 32 4.637 9.781 29.869 1.00 0.00 H new ATOM 0 HA LEU A 32 4.565 6.906 30.680 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.188 8.557 29.684 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.171 6.825 29.950 1.00 0.00 H new ATOM 0 HG LEU A 32 2.845 8.836 32.141 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.510 8.439 32.926 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.520 9.161 31.299 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.207 7.421 31.498 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.367 6.928 33.641 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.053 5.893 32.228 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.686 6.541 32.510 1.00 0.00 H new ATOM 1313 N CYS A 33 4.538 6.267 28.173 1.00 0.00 N ATOM 1314 CA CYS A 33 4.773 6.004 26.725 1.00 0.00 C ATOM 1315 C CYS A 33 3.438 6.113 25.981 1.00 0.00 C ATOM 1316 O CYS A 33 2.408 6.370 26.574 1.00 0.00 O ATOM 1317 CB CYS A 33 5.395 4.617 26.530 1.00 0.00 C ATOM 1318 SG CYS A 33 4.147 3.330 26.765 1.00 0.00 S ATOM 0 H CYS A 33 4.492 5.437 28.764 1.00 0.00 H new ATOM 0 HA CYS A 33 5.470 6.740 26.324 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.822 4.540 25.530 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.212 4.475 27.238 1.00 0.00 H new ATOM 0 HG CYS A 33 4.617 2.408 27.552 1.00 0.00 H new ATOM 1323 N ASN A 34 3.447 5.944 24.689 1.00 0.00 N ATOM 1324 CA ASN A 34 2.184 6.064 23.901 1.00 0.00 C ATOM 1325 C ASN A 34 1.133 5.025 24.320 1.00 0.00 C ATOM 1326 O ASN A 34 -0.022 5.353 24.507 1.00 0.00 O ATOM 1327 CB ASN A 34 2.517 5.898 22.411 1.00 0.00 C ATOM 1328 CG ASN A 34 3.025 7.223 21.850 1.00 0.00 C ATOM 1329 OD1 ASN A 34 2.247 8.108 21.559 1.00 0.00 O ATOM 1330 ND2 ASN A 34 4.305 7.391 21.691 1.00 0.00 N ATOM 0 H ASN A 34 4.278 5.727 24.140 1.00 0.00 H new ATOM 0 HA ASN A 34 1.754 7.047 24.094 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.272 5.123 22.281 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.631 5.575 21.864 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.662 8.271 21.319 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.952 6.642 21.938 1.00 0.00 H new ATOM 1337 N ALA A 35 1.494 3.778 24.432 1.00 0.00 N ATOM 1338 CA ALA A 35 0.477 2.747 24.794 1.00 0.00 C ATOM 1339 C ALA A 35 -0.150 3.024 26.169 1.00 0.00 C ATOM 1340 O ALA A 35 -1.356 3.021 26.313 1.00 0.00 O ATOM 1341 CB ALA A 35 1.130 1.366 24.791 1.00 0.00 C ATOM 0 H ALA A 35 2.441 3.428 24.290 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.321 2.785 24.053 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.388 0.612 25.055 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.526 1.153 23.798 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.942 1.346 25.518 1.00 0.00 H new ATOM 1347 N CYS A 36 0.642 3.244 27.184 1.00 0.00 N ATOM 1348 CA CYS A 36 0.057 3.494 28.537 1.00 0.00 C ATOM 1349 C CYS A 36 -0.789 4.771 28.528 1.00 0.00 C ATOM 1350 O CYS A 36 -1.884 4.802 29.052 1.00 0.00 O ATOM 1351 CB CYS A 36 1.171 3.635 29.578 1.00 0.00 C ATOM 1352 SG CYS A 36 2.137 2.104 29.664 1.00 0.00 S ATOM 0 H CYS A 36 1.661 3.262 27.138 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.577 2.646 28.795 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.821 4.470 29.317 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.741 3.859 30.554 1.00 0.00 H new ATOM 0 HG CYS A 36 3.044 2.111 28.733 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.292 5.830 27.949 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.078 7.096 27.931 1.00 0.00 C ATOM 1359 C GLY A 37 -2.402 6.875 27.196 1.00 0.00 C ATOM 1360 O GLY A 37 -3.460 7.217 27.686 1.00 0.00 O ATOM 0 H GLY A 37 0.618 5.874 27.491 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.269 7.430 28.951 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.506 7.883 27.440 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.349 6.316 26.019 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.601 6.081 25.245 1.00 0.00 C ATOM 1366 C LEU A 38 -4.465 5.004 25.915 1.00 0.00 C ATOM 1367 O LEU A 38 -5.667 5.144 26.024 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.233 5.606 23.835 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.494 6.710 23.068 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.925 6.124 21.771 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.452 7.866 22.733 1.00 0.00 C ATOM 0 H LEU A 38 -1.491 6.011 25.559 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.165 7.013 25.206 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.606 4.717 23.897 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.136 5.322 23.294 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.686 7.096 23.689 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.398 6.903 21.220 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.233 5.317 22.010 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.739 5.735 21.160 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.911 8.641 22.189 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.270 7.493 22.117 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.854 8.284 23.656 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.875 3.914 26.326 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.686 2.820 26.942 1.00 0.00 C ATOM 1385 C PHE A 39 -5.144 3.165 28.363 1.00 0.00 C ATOM 1386 O PHE A 39 -6.302 3.021 28.698 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.858 1.537 27.006 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.767 0.395 27.397 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.001 0.115 28.748 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.387 -0.373 26.406 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.854 -0.936 29.108 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.241 -1.423 26.764 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.474 -1.705 28.115 1.00 0.00 C ATOM 0 H PHE A 39 -2.873 3.733 26.263 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.569 2.688 26.316 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.394 1.338 26.040 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.051 1.643 27.731 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.524 0.709 29.513 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.207 -0.156 25.364 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.034 -1.153 30.151 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.720 -2.015 25.998 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.132 -2.516 28.392 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.242 3.566 29.215 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.634 3.857 30.624 1.00 0.00 C ATOM 1405 C LEU A 40 -5.688 4.968 30.666 1.00 0.00 C ATOM 1406 O LEU A 40 -6.697 4.850 31.335 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.389 4.280 31.414 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.706 4.356 32.915 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.869 2.946 33.508 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.560 5.081 33.629 1.00 0.00 C ATOM 0 H LEU A 40 -3.255 3.705 28.999 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.064 2.961 31.072 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.582 3.567 31.242 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.039 5.250 31.061 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.641 4.899 33.054 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.093 3.022 34.572 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.685 2.430 33.001 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.945 2.385 33.371 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.776 5.140 34.696 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.631 4.532 33.476 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.457 6.087 33.223 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.465 6.050 29.972 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.456 7.168 29.987 1.00 0.00 C ATOM 1424 C LYS A 41 -7.800 6.706 29.415 1.00 0.00 C ATOM 1425 O LYS A 41 -8.849 7.013 29.947 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.921 8.325 29.138 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.902 9.502 29.177 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.355 10.649 28.326 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.305 11.844 28.413 1.00 0.00 C ATOM 1430 NZ LYS A 41 -7.267 12.405 29.793 1.00 0.00 N ATOM 0 H LYS A 41 -4.640 6.210 29.394 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.605 7.491 31.017 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.947 8.641 29.511 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.777 7.995 28.109 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.877 9.190 28.802 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.047 9.835 30.205 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.362 10.934 28.674 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.249 10.329 27.289 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.015 12.607 27.690 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.320 11.535 28.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.623 13.382 29.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.863 11.827 30.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.288 12.398 30.144 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.781 6.004 28.318 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.062 5.562 27.696 1.00 0.00 C ATOM 1446 C LEU A 42 -9.740 4.495 28.559 1.00 0.00 C ATOM 1447 O LEU A 42 -10.951 4.440 28.646 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.785 4.988 26.301 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.327 6.102 25.346 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.892 5.474 24.016 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.467 7.106 25.097 1.00 0.00 C ATOM 0 H LEU A 42 -6.936 5.717 27.824 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.725 6.423 27.617 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.018 4.216 26.364 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.685 4.513 25.911 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.491 6.636 25.797 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.566 6.258 23.333 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.069 4.781 24.193 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.732 4.936 23.576 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.123 7.887 24.419 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.317 6.588 24.653 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.770 7.555 26.043 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.987 3.622 29.172 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.614 2.541 29.989 1.00 0.00 C ATOM 1465 C HIS A 43 -9.866 2.998 31.432 1.00 0.00 C ATOM 1466 O HIS A 43 -10.870 2.651 32.022 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.688 1.324 29.971 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.694 0.746 28.584 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -7.990 1.329 27.541 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.341 -0.336 28.042 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.233 0.605 26.435 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.049 -0.423 26.683 1.00 0.00 N ATOM 0 H HIS A 43 -7.967 3.610 29.143 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.583 2.287 29.560 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.677 1.612 30.258 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.024 0.580 30.694 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.396 2.156 27.602 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.979 -1.016 28.586 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.818 0.828 25.463 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.993 3.775 32.013 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.235 4.237 33.411 1.00 0.00 C ATOM 1482 C GLY A 44 -9.045 3.091 34.412 1.00 0.00 C ATOM 1483 O GLY A 44 -9.378 3.226 35.573 1.00 0.00 O ATOM 0 H GLY A 44 -8.129 4.108 31.585 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.551 5.051 33.652 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.246 4.634 33.496 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.525 1.968 33.985 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.327 0.818 34.925 1.00 0.00 C ATOM 1489 C VAL A 45 -6.942 0.202 34.709 1.00 0.00 C ATOM 1490 O VAL A 45 -6.242 0.528 33.771 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.404 -0.246 34.684 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.753 0.266 35.197 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.511 -0.549 33.186 1.00 0.00 C ATOM 0 H VAL A 45 -8.228 1.796 33.025 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.404 1.182 35.949 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.132 -1.157 35.217 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.518 -0.491 35.025 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.681 0.474 36.265 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.021 1.180 34.667 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.278 -1.306 33.022 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.778 0.361 32.649 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.553 -0.918 32.820 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.545 -0.686 35.582 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.208 -1.333 35.458 1.00 0.00 C ATOM 1505 C VAL A 46 -5.047 -1.953 34.065 1.00 0.00 C ATOM 1506 O VAL A 46 -5.996 -2.429 33.473 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.076 -2.425 36.524 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -5.077 -1.788 37.918 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.251 -3.401 36.407 1.00 0.00 C ATOM 0 H VAL A 46 -7.097 -0.993 36.383 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.432 -0.581 35.600 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.140 -2.964 36.374 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.983 -2.567 38.674 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.238 -1.097 38.003 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.010 -1.246 38.070 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.156 -4.178 37.166 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.187 -2.863 36.554 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.247 -3.858 35.418 1.00 0.00 H new ATOM 1519 N ARG A 47 -3.843 -1.949 33.545 1.00 0.00 N ATOM 1520 CA ARG A 47 -3.577 -2.534 32.191 1.00 0.00 C ATOM 1521 C ARG A 47 -2.554 -3.672 32.325 1.00 0.00 C ATOM 1522 O ARG A 47 -1.435 -3.431 32.732 1.00 0.00 O ATOM 1523 CB ARG A 47 -2.972 -1.445 31.295 1.00 0.00 C ATOM 1524 CG ARG A 47 -2.677 -1.997 29.890 1.00 0.00 C ATOM 1525 CD ARG A 47 -1.854 -0.978 29.097 1.00 0.00 C ATOM 1526 NE ARG A 47 -0.422 -1.088 29.498 1.00 0.00 N ATOM 1527 CZ ARG A 47 0.508 -0.512 28.786 1.00 0.00 C ATOM 1528 NH1 ARG A 47 0.194 0.134 27.696 1.00 0.00 N ATOM 1529 NH2 ARG A 47 1.756 -0.588 29.160 1.00 0.00 N ATOM 0 H ARG A 47 -3.021 -1.560 34.008 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.506 -2.912 31.763 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.660 -0.603 31.223 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.053 -1.068 31.743 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.133 -2.938 29.966 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.611 -2.209 29.369 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.960 -1.160 28.028 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.221 0.031 29.287 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.168 -1.616 30.333 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.780 0.190 27.399 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.923 0.583 27.142 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.004 -1.097 30.008 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.483 -0.138 28.604 1.00 0.00 H new ATOM 1543 N PRO A 48 -2.880 -4.892 31.962 1.00 0.00 N ATOM 1544 CA PRO A 48 -1.890 -6.004 32.039 1.00 0.00 C ATOM 1545 C PRO A 48 -0.567 -5.592 31.385 1.00 0.00 C ATOM 1546 O PRO A 48 -0.370 -5.752 30.196 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.563 -7.145 31.270 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.025 -6.891 31.434 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.184 -5.368 31.455 1.00 0.00 C ATOM 0 HA PRO A 48 -1.640 -6.286 33.062 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.274 -7.140 30.219 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.281 -8.117 31.674 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.593 -7.332 30.615 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.398 -7.336 32.356 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.397 -4.973 30.462 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.004 -5.059 32.103 1.00 0.00 H new ATOM 1557 N LEU A 49 0.335 -5.049 32.154 1.00 0.00 N ATOM 1558 CA LEU A 49 1.637 -4.610 31.583 1.00 0.00 C ATOM 1559 C LEU A 49 2.313 -5.801 30.901 1.00 0.00 C ATOM 1560 O LEU A 49 3.243 -5.645 30.134 1.00 0.00 O ATOM 1561 CB LEU A 49 2.528 -4.073 32.704 1.00 0.00 C ATOM 1562 CG LEU A 49 1.754 -3.029 33.516 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.644 -2.507 34.646 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.334 -1.861 32.610 1.00 0.00 C ATOM 0 H LEU A 49 0.226 -4.890 33.156 1.00 0.00 H new ATOM 0 HA LEU A 49 1.474 -3.820 30.850 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.847 -4.889 33.352 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.430 -3.627 32.284 1.00 0.00 H new ATOM 0 HG LEU A 49 0.860 -3.491 33.935 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.097 -1.764 35.226 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.931 -3.334 35.295 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.539 -2.050 34.223 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.785 -1.125 33.197 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.222 -1.395 32.182 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.697 -2.234 31.808 1.00 0.00 H new ATOM 1576 N SER A 50 1.848 -6.990 31.169 1.00 0.00 N ATOM 1577 CA SER A 50 2.460 -8.188 30.531 1.00 0.00 C ATOM 1578 C SER A 50 2.327 -8.061 29.011 1.00 0.00 C ATOM 1579 O SER A 50 2.941 -8.790 28.258 1.00 0.00 O ATOM 1580 CB SER A 50 1.744 -9.452 31.012 1.00 0.00 C ATOM 1581 OG SER A 50 1.808 -9.515 32.430 1.00 0.00 O ATOM 0 H SER A 50 1.072 -7.183 31.802 1.00 0.00 H new ATOM 0 HA SER A 50 3.513 -8.255 30.804 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.705 -9.443 30.683 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.209 -10.336 30.576 1.00 0.00 H new ATOM 0 HG SER A 50 1.349 -10.322 32.743 1.00 0.00 H new ATOM 1587 N LEU A 51 1.539 -7.122 28.557 1.00 0.00 N ATOM 1588 CA LEU A 51 1.375 -6.924 27.088 1.00 0.00 C ATOM 1589 C LEU A 51 2.580 -6.153 26.555 1.00 0.00 C ATOM 1590 O LEU A 51 3.024 -6.359 25.442 1.00 0.00 O ATOM 1591 CB LEU A 51 0.128 -6.082 26.816 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.134 -6.819 27.280 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.256 -5.797 27.465 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -1.565 -7.854 26.233 1.00 0.00 C ATOM 0 H LEU A 51 1.001 -6.483 29.142 1.00 0.00 H new ATOM 0 HA LEU A 51 1.287 -7.897 26.605 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.208 -5.126 27.334 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.056 -5.863 25.751 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.926 -7.334 28.218 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.161 -6.306 27.795 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.959 -5.062 28.214 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.448 -5.293 26.518 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.462 -8.368 26.578 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.775 -7.351 25.289 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.764 -8.579 26.087 1.00 0.00 H new ATOM 1606 N LYS A 52 3.096 -5.246 27.337 1.00 0.00 N ATOM 1607 CA LYS A 52 4.257 -4.428 26.882 1.00 0.00 C ATOM 1608 C LYS A 52 5.326 -5.322 26.251 1.00 0.00 C ATOM 1609 O LYS A 52 5.485 -6.474 26.603 1.00 0.00 O ATOM 1610 CB LYS A 52 4.863 -3.682 28.079 1.00 0.00 C ATOM 1611 CG LYS A 52 6.064 -2.813 27.631 1.00 0.00 C ATOM 1612 CD LYS A 52 7.392 -3.478 28.019 1.00 0.00 C ATOM 1613 CE LYS A 52 8.554 -2.536 27.688 1.00 0.00 C ATOM 1614 NZ LYS A 52 8.372 -1.981 26.318 1.00 0.00 N ATOM 0 H LYS A 52 2.762 -5.034 28.277 1.00 0.00 H new ATOM 0 HA LYS A 52 3.908 -3.712 26.138 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.104 -3.051 28.543 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.187 -4.398 28.834 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.028 -2.664 26.552 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.997 -1.827 28.091 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.394 -3.715 29.083 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.509 -4.419 27.482 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.598 -1.726 28.416 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.500 -3.073 27.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.299 -1.724 25.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.922 -2.696 25.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.768 -1.135 26.363 1.00 0.00 H new ATOM 1628 N THR A 53 6.079 -4.771 25.339 1.00 0.00 N ATOM 1629 CA THR A 53 7.176 -5.534 24.682 1.00 0.00 C ATOM 1630 C THR A 53 8.277 -4.551 24.294 1.00 0.00 C ATOM 1631 O THR A 53 8.090 -3.351 24.345 1.00 0.00 O ATOM 1632 CB THR A 53 6.664 -6.243 23.427 1.00 0.00 C ATOM 1633 OG1 THR A 53 7.771 -6.683 22.653 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.808 -5.283 22.598 1.00 0.00 C ATOM 0 H THR A 53 5.978 -3.809 25.017 1.00 0.00 H new ATOM 0 HA THR A 53 7.557 -6.288 25.371 1.00 0.00 H new ATOM 0 HB THR A 53 6.056 -7.099 23.719 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.558 -6.599 21.700 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.447 -5.795 21.706 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.958 -4.947 23.193 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.408 -4.422 22.304 1.00 0.00 H new ATOM 1642 N ASP A 54 9.418 -5.038 23.900 1.00 0.00 N ATOM 1643 CA ASP A 54 10.528 -4.122 23.502 1.00 0.00 C ATOM 1644 C ASP A 54 10.505 -3.951 21.983 1.00 0.00 C ATOM 1645 O ASP A 54 11.337 -3.275 21.409 1.00 0.00 O ATOM 1646 CB ASP A 54 11.867 -4.724 23.932 1.00 0.00 C ATOM 1647 CG ASP A 54 11.987 -4.670 25.455 1.00 0.00 C ATOM 1648 OD1 ASP A 54 11.204 -3.962 26.066 1.00 0.00 O ATOM 1649 OD2 ASP A 54 12.858 -5.338 25.987 1.00 0.00 O ATOM 0 H ASP A 54 9.633 -6.033 23.835 1.00 0.00 H new ATOM 0 HA ASP A 54 10.401 -3.153 23.985 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.941 -5.755 23.587 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.689 -4.175 23.472 1.00 0.00 H new ATOM 1654 N VAL A 55 9.555 -4.571 21.330 1.00 0.00 N ATOM 1655 CA VAL A 55 9.442 -4.478 19.842 1.00 0.00 C ATOM 1656 C VAL A 55 8.092 -3.854 19.475 1.00 0.00 C ATOM 1657 O VAL A 55 7.071 -4.196 20.036 1.00 0.00 O ATOM 1658 CB VAL A 55 9.528 -5.889 19.255 1.00 0.00 C ATOM 1659 CG1 VAL A 55 9.356 -5.830 17.736 1.00 0.00 C ATOM 1660 CG2 VAL A 55 10.893 -6.497 19.595 1.00 0.00 C ATOM 0 H VAL A 55 8.840 -5.148 21.773 1.00 0.00 H new ATOM 0 HA VAL A 55 10.246 -3.859 19.443 1.00 0.00 H new ATOM 0 HB VAL A 55 8.737 -6.507 19.680 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.418 -6.837 17.323 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.384 -5.399 17.496 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.143 -5.212 17.304 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.958 -7.502 19.178 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.683 -5.877 19.171 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.011 -6.545 20.678 1.00 0.00 H new ATOM 1670 N ILE A 56 8.083 -2.942 18.532 1.00 0.00 N ATOM 1671 CA ILE A 56 6.807 -2.284 18.107 1.00 0.00 C ATOM 1672 C ILE A 56 6.578 -2.566 16.621 1.00 0.00 C ATOM 1673 O ILE A 56 7.478 -2.439 15.814 1.00 0.00 O ATOM 1674 CB ILE A 56 6.908 -0.773 18.331 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.159 -0.498 19.814 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.593 -0.105 17.919 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.508 0.978 20.010 1.00 0.00 C ATOM 0 H ILE A 56 8.914 -2.623 18.034 1.00 0.00 H new ATOM 0 HA ILE A 56 5.976 -2.677 18.692 1.00 0.00 H new ATOM 0 HB ILE A 56 7.727 -0.373 17.734 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.274 -0.753 20.396 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.972 -1.126 20.178 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.666 0.971 18.079 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.399 -0.303 16.865 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.777 -0.507 18.520 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.687 1.172 21.068 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.406 1.218 19.440 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.681 1.597 19.662 1.00 0.00 H new ATOM 1689 N LYS A 57 5.388 -2.950 16.247 1.00 0.00 N ATOM 1690 CA LYS A 57 5.123 -3.241 14.809 1.00 0.00 C ATOM 1691 C LYS A 57 4.928 -1.924 14.059 1.00 0.00 C ATOM 1692 O LYS A 57 4.179 -1.062 14.476 1.00 0.00 O ATOM 1693 CB LYS A 57 3.861 -4.094 14.676 1.00 0.00 C ATOM 1694 CG LYS A 57 3.695 -4.528 13.214 1.00 0.00 C ATOM 1695 CD LYS A 57 2.427 -5.379 13.045 1.00 0.00 C ATOM 1696 CE LYS A 57 2.711 -6.843 13.400 1.00 0.00 C ATOM 1697 NZ LYS A 57 1.421 -7.565 13.573 1.00 0.00 N ATOM 0 H LYS A 57 4.591 -3.074 16.871 1.00 0.00 H new ATOM 0 HA LYS A 57 5.968 -3.785 14.387 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.930 -4.969 15.322 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.989 -3.527 15.000 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.638 -3.649 12.572 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.568 -5.099 12.897 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.634 -4.991 13.684 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.070 -5.311 12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.301 -7.312 12.613 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.299 -6.900 14.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.609 -8.559 13.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.874 -7.121 14.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.877 -7.520 12.688 1.00 0.00 H new ATOM 1711 N LYS A 58 5.598 -1.764 12.949 1.00 0.00 N ATOM 1712 CA LYS A 58 5.459 -0.506 12.163 1.00 0.00 C ATOM 1713 C LYS A 58 4.256 -0.618 11.224 1.00 0.00 C ATOM 1714 O LYS A 58 4.133 -1.566 10.474 1.00 0.00 O ATOM 1715 CB LYS A 58 6.724 -0.280 11.329 1.00 0.00 C ATOM 1716 CG LYS A 58 7.937 -0.026 12.245 1.00 0.00 C ATOM 1717 CD LYS A 58 8.634 -1.347 12.599 1.00 0.00 C ATOM 1718 CE LYS A 58 9.938 -1.044 13.339 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.664 -2.316 13.616 1.00 0.00 N ATOM 0 H LYS A 58 6.237 -2.453 12.553 1.00 0.00 H new ATOM 0 HA LYS A 58 5.315 0.330 12.847 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.912 -1.150 10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.580 0.570 10.662 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.641 0.641 11.748 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.612 0.476 13.157 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.983 -1.961 13.221 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.840 -1.918 11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.562 -0.381 12.740 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.725 -0.524 14.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.550 -2.108 14.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.069 -2.934 14.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.880 -2.795 12.718 1.00 0.00 H new ATOM 1733 N ARG A 59 3.365 0.340 11.260 1.00 0.00 N ATOM 1734 CA ARG A 59 2.164 0.292 10.373 1.00 0.00 C ATOM 1735 C ARG A 59 2.388 1.208 9.172 1.00 0.00 C ATOM 1736 O ARG A 59 3.460 1.741 8.973 1.00 0.00 O ATOM 1737 CB ARG A 59 0.927 0.764 11.142 1.00 0.00 C ATOM 1738 CG ARG A 59 0.706 -0.120 12.376 1.00 0.00 C ATOM 1739 CD ARG A 59 0.514 -1.582 11.950 1.00 0.00 C ATOM 1740 NE ARG A 59 -0.322 -2.310 12.954 1.00 0.00 N ATOM 1741 CZ ARG A 59 -0.045 -2.284 14.231 1.00 0.00 C ATOM 1742 NH1 ARG A 59 1.051 -1.727 14.665 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -0.849 -2.869 15.075 1.00 0.00 N ATOM 0 H ARG A 59 3.418 1.157 11.868 1.00 0.00 H new ATOM 0 HA ARG A 59 2.008 -0.733 10.036 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.053 1.803 11.447 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.050 0.726 10.495 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.559 -0.038 13.049 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.169 0.224 12.928 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.036 -1.623 10.971 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.484 -2.070 11.852 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.131 -2.842 12.633 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.704 -1.305 14.005 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.255 -1.714 15.664 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.687 -3.342 14.737 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.640 -2.853 16.073 1.00 0.00 H new ATOM 1757 N ASN A 60 1.396 1.344 8.338 1.00 0.00 N ATOM 1758 CA ASN A 60 1.558 2.166 7.108 1.00 0.00 C ATOM 1759 C ASN A 60 1.681 3.654 7.438 1.00 0.00 C ATOM 1760 O ASN A 60 1.374 4.111 8.520 1.00 0.00 O ATOM 1761 CB ASN A 60 0.345 1.956 6.200 1.00 0.00 C ATOM 1762 CG ASN A 60 0.401 0.556 5.586 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -0.509 -0.232 5.754 1.00 0.00 O ATOM 1764 ND2 ASN A 60 1.440 0.214 4.875 1.00 0.00 N ATOM 0 H ASN A 60 0.476 0.919 8.456 1.00 0.00 H new ATOM 0 HA ASN A 60 2.473 1.850 6.608 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.575 2.077 6.771 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.333 2.709 5.412 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.490 -0.716 4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.203 0.877 4.735 1.00 0.00 H new