USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=17 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 156:sc= 1.22 USER MOD Set 1.2: A 15 CYS SG : rot 73:sc= -1.5! USER MOD Set 1.3: A 17 THR OG1 : rot 125:sc= -0.666! USER MOD Set 1.4: A 20 THR OG1 : rot -123:sc= -0.21 USER MOD Set 1.5: A 33 CYS SG : rot -134:sc= 0.825 USER MOD Set 1.6: A 34 ASN : amide:sc= -2.6! C(o=-3!,f=-14!) USER MOD Set 1.7: A 36 CYS SG : rot 153:sc= 0.241 USER MOD Set 1.8: A 52 LYS NZ :NH3+ 156:sc= -0.326 (180deg=-1.43!) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 30 GLN : amide:sc= -5.99! C(o=-6!,f=-5.9!) USER MOD Set 3.1: A 11 THR OG1 : rot -71:sc= 0.383 USER MOD Set 3.2: A 18 GLN :FLIP amide:sc= -1.8 F(o=-2.2!,f=-1.4) USER MOD Single : A 14 ASN : amide:sc= -2.01 K(o=-2,f=-4.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -1.97 F(o=-12!,f=-2) USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= -0.034 (180deg=-0.483) USER MOD Single : A 43 HIS : no HE2:sc= -10.6! C(o=-11!,f=-17!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 155:sc= -0.145 (180deg=-0.773) USER MOD Single : A 60 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 12.005 7.268 31.849 1.00 0.00 N ATOM 971 CA THR A 11 11.537 5.854 31.961 1.00 0.00 C ATOM 972 C THR A 11 10.038 5.823 32.283 1.00 0.00 C ATOM 973 O THR A 11 9.568 6.516 33.164 1.00 0.00 O ATOM 974 CB THR A 11 12.332 5.168 33.078 1.00 0.00 C ATOM 975 OG1 THR A 11 13.717 5.234 32.769 1.00 0.00 O ATOM 976 CG2 THR A 11 11.915 3.702 33.205 1.00 0.00 C ATOM 0 HA THR A 11 11.696 5.331 31.018 1.00 0.00 H new ATOM 0 HB THR A 11 12.131 5.676 34.021 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.915 4.630 32.023 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.488 3.228 34.002 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.852 3.645 33.439 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.107 3.186 32.264 1.00 0.00 H new ATOM 984 N CYS A 12 9.282 5.023 31.574 1.00 0.00 N ATOM 985 CA CYS A 12 7.815 4.948 31.840 1.00 0.00 C ATOM 986 C CYS A 12 7.585 4.468 33.274 1.00 0.00 C ATOM 987 O CYS A 12 7.846 3.330 33.611 1.00 0.00 O ATOM 988 CB CYS A 12 7.155 3.972 30.860 1.00 0.00 C ATOM 989 SG CYS A 12 5.361 4.231 30.870 1.00 0.00 S ATOM 0 H CYS A 12 9.618 4.420 30.823 1.00 0.00 H new ATOM 0 HA CYS A 12 7.374 5.936 31.708 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.550 4.125 29.856 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.387 2.945 31.141 1.00 0.00 H new ATOM 0 HG CYS A 12 4.857 3.819 29.745 1.00 0.00 H new ATOM 994 N THR A 13 7.099 5.334 34.117 1.00 0.00 N ATOM 995 CA THR A 13 6.858 4.949 35.535 1.00 0.00 C ATOM 996 C THR A 13 5.778 3.871 35.621 1.00 0.00 C ATOM 997 O THR A 13 5.555 3.301 36.672 1.00 0.00 O ATOM 998 CB THR A 13 6.412 6.179 36.333 1.00 0.00 C ATOM 999 OG1 THR A 13 5.258 6.745 35.728 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.542 7.209 36.350 1.00 0.00 C ATOM 0 H THR A 13 6.857 6.297 33.884 1.00 0.00 H new ATOM 0 HA THR A 13 7.785 4.554 35.951 1.00 0.00 H new ATOM 0 HB THR A 13 6.174 5.885 37.355 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.972 7.531 36.240 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.227 8.085 36.917 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.425 6.773 36.817 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.780 7.505 35.328 1.00 0.00 H new ATOM 1008 N ASN A 14 5.092 3.587 34.541 1.00 0.00 N ATOM 1009 CA ASN A 14 4.015 2.551 34.581 1.00 0.00 C ATOM 1010 C ASN A 14 4.497 1.235 33.963 1.00 0.00 C ATOM 1011 O ASN A 14 4.089 0.172 34.387 1.00 0.00 O ATOM 1012 CB ASN A 14 2.799 3.062 33.805 1.00 0.00 C ATOM 1013 CG ASN A 14 2.114 4.165 34.613 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.626 4.596 35.627 1.00 0.00 O ATOM 1015 ND2 ASN A 14 0.963 4.634 34.213 1.00 0.00 N ATOM 0 H ASN A 14 5.232 4.029 33.632 1.00 0.00 H new ATOM 0 HA ASN A 14 3.748 2.365 35.621 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.108 3.446 32.833 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.102 2.245 33.619 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.494 5.362 34.752 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.533 4.272 33.362 1.00 0.00 H new ATOM 1022 N CYS A 15 5.340 1.278 32.961 1.00 0.00 N ATOM 1023 CA CYS A 15 5.808 0.002 32.330 1.00 0.00 C ATOM 1024 C CYS A 15 7.290 0.115 31.956 1.00 0.00 C ATOM 1025 O CYS A 15 7.800 -0.654 31.166 1.00 0.00 O ATOM 1026 CB CYS A 15 4.965 -0.294 31.083 1.00 0.00 C ATOM 1027 SG CYS A 15 5.568 0.669 29.673 1.00 0.00 S ATOM 0 H CYS A 15 5.722 2.132 32.555 1.00 0.00 H new ATOM 0 HA CYS A 15 5.691 -0.816 33.040 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.009 -1.358 30.851 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.920 -0.053 31.277 1.00 0.00 H new ATOM 0 HG CYS A 15 6.691 0.167 29.253 1.00 0.00 H new ATOM 1032 N PHE A 16 7.980 1.066 32.523 1.00 0.00 N ATOM 1033 CA PHE A 16 9.432 1.249 32.241 1.00 0.00 C ATOM 1034 C PHE A 16 9.766 1.155 30.748 1.00 0.00 C ATOM 1035 O PHE A 16 10.923 1.094 30.380 1.00 0.00 O ATOM 1036 CB PHE A 16 10.256 0.227 33.033 1.00 0.00 C ATOM 1037 CG PHE A 16 10.030 -1.164 32.494 1.00 0.00 C ATOM 1038 CD1 PHE A 16 10.851 -1.662 31.475 1.00 0.00 C ATOM 1039 CD2 PHE A 16 9.010 -1.961 33.025 1.00 0.00 C ATOM 1040 CE1 PHE A 16 10.648 -2.956 30.982 1.00 0.00 C ATOM 1041 CE2 PHE A 16 8.805 -3.255 32.532 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.624 -3.753 31.511 1.00 0.00 C ATOM 0 H PHE A 16 7.590 1.738 33.184 1.00 0.00 H new ATOM 0 HA PHE A 16 9.692 2.259 32.559 1.00 0.00 H new ATOM 0 HB2 PHE A 16 11.315 0.479 32.973 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.979 0.265 34.086 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.641 -1.047 31.069 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.381 -1.578 33.815 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.280 -3.340 30.195 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.015 -3.869 32.939 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.466 -4.752 31.131 1.00 0.00 H new ATOM 1052 N THR A 17 8.797 1.129 29.876 1.00 0.00 N ATOM 1053 CA THR A 17 9.127 1.021 28.426 1.00 0.00 C ATOM 1054 C THR A 17 10.143 2.098 28.040 1.00 0.00 C ATOM 1055 O THR A 17 9.973 3.262 28.330 1.00 0.00 O ATOM 1056 CB THR A 17 7.846 1.211 27.603 1.00 0.00 C ATOM 1057 OG1 THR A 17 7.122 -0.003 27.610 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.176 1.593 26.156 1.00 0.00 C ATOM 0 H THR A 17 7.803 1.177 30.099 1.00 0.00 H new ATOM 0 HA THR A 17 9.555 0.039 28.225 1.00 0.00 H new ATOM 0 HB THR A 17 7.257 2.015 28.044 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.214 0.159 27.942 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.251 1.722 25.594 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.740 2.526 26.145 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.772 0.803 25.698 1.00 0.00 H new ATOM 1066 N GLN A 18 11.194 1.701 27.371 1.00 0.00 N ATOM 1067 CA GLN A 18 12.238 2.671 26.928 1.00 0.00 C ATOM 1068 C GLN A 18 12.061 2.944 25.431 1.00 0.00 C ATOM 1069 O GLN A 18 12.571 3.912 24.901 1.00 0.00 O ATOM 1070 CB GLN A 18 13.620 2.053 27.159 1.00 0.00 C ATOM 1071 CG GLN A 18 13.811 1.756 28.648 1.00 0.00 C ATOM 1072 CD GLN A 18 14.045 3.064 29.404 1.00 0.00 C ATOM 1073 OE1 GLN A 18 13.469 3.250 30.559 1.00 0.00 O flip ATOM 1074 NE2 GLN A 18 14.763 3.927 28.938 1.00 0.00 N flip ATOM 0 H GLN A 18 11.375 0.732 27.109 1.00 0.00 H new ATOM 0 HA GLN A 18 12.145 3.600 27.490 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.720 1.135 26.580 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.396 2.735 26.812 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.932 1.247 29.044 1.00 0.00 H new ATOM 0 HG3 GLN A 18 14.658 1.085 28.790 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.214 3.782 28.035 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.915 4.796 29.450 1.00 0.00 H new ATOM 1083 N THR A 19 11.348 2.084 24.748 1.00 0.00 N ATOM 1084 CA THR A 19 11.131 2.257 23.277 1.00 0.00 C ATOM 1085 C THR A 19 9.683 2.686 23.017 1.00 0.00 C ATOM 1086 O THR A 19 8.748 1.999 23.377 1.00 0.00 O ATOM 1087 CB THR A 19 11.395 0.922 22.571 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.648 0.406 22.999 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.427 1.141 21.059 1.00 0.00 C ATOM 0 H THR A 19 10.902 1.260 25.151 1.00 0.00 H new ATOM 0 HA THR A 19 11.809 3.020 22.896 1.00 0.00 H new ATOM 0 HB THR A 19 10.602 0.216 22.818 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.820 -0.449 22.551 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.615 0.191 20.558 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.469 1.542 20.729 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.220 1.846 20.810 1.00 0.00 H new ATOM 1097 N THR A 20 9.491 3.824 22.403 1.00 0.00 N ATOM 1098 CA THR A 20 8.104 4.301 22.134 1.00 0.00 C ATOM 1099 C THR A 20 8.141 5.388 21.052 1.00 0.00 C ATOM 1100 O THR A 20 9.084 6.150 20.976 1.00 0.00 O ATOM 1101 CB THR A 20 7.514 4.889 23.424 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.275 5.521 23.136 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.475 5.924 24.020 1.00 0.00 C ATOM 0 H THR A 20 10.234 4.442 22.077 1.00 0.00 H new ATOM 0 HA THR A 20 7.489 3.468 21.794 1.00 0.00 H new ATOM 0 HB THR A 20 7.362 4.082 24.140 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.309 6.456 23.429 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.046 6.334 24.934 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.428 5.447 24.248 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.635 6.728 23.302 1.00 0.00 H new ATOM 1111 N PRO A 21 7.129 5.479 20.220 1.00 0.00 N ATOM 1112 CA PRO A 21 7.076 6.512 19.145 1.00 0.00 C ATOM 1113 C PRO A 21 6.803 7.902 19.727 1.00 0.00 C ATOM 1114 O PRO A 21 7.027 8.912 19.090 1.00 0.00 O ATOM 1115 CB PRO A 21 5.914 6.049 18.258 1.00 0.00 C ATOM 1116 CG PRO A 21 5.011 5.305 19.184 1.00 0.00 C ATOM 1117 CD PRO A 21 5.928 4.622 20.201 1.00 0.00 C ATOM 0 HA PRO A 21 8.016 6.603 18.600 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.403 6.896 17.800 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.264 5.411 17.447 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.314 5.982 19.678 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.413 4.572 18.642 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.462 4.564 21.185 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.169 3.602 19.901 1.00 0.00 H new ATOM 1125 N VAL A 22 6.309 7.956 20.934 1.00 0.00 N ATOM 1126 CA VAL A 22 6.009 9.275 21.551 1.00 0.00 C ATOM 1127 C VAL A 22 5.782 9.114 23.059 1.00 0.00 C ATOM 1128 O VAL A 22 5.257 8.120 23.519 1.00 0.00 O ATOM 1129 CB VAL A 22 4.764 9.866 20.888 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.519 9.093 21.332 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.625 11.337 21.285 1.00 0.00 C ATOM 0 H VAL A 22 6.101 7.145 21.517 1.00 0.00 H new ATOM 0 HA VAL A 22 6.853 9.948 21.401 1.00 0.00 H new ATOM 0 HB VAL A 22 4.863 9.789 19.805 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.637 9.520 20.856 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.618 8.047 21.042 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.415 9.161 22.415 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.738 11.759 20.813 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.531 11.414 22.368 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.507 11.887 20.957 1.00 0.00 H new ATOM 1141 N TRP A 23 6.192 10.090 23.825 1.00 0.00 N ATOM 1142 CA TRP A 23 6.030 10.020 25.309 1.00 0.00 C ATOM 1143 C TRP A 23 4.737 10.715 25.749 1.00 0.00 C ATOM 1144 O TRP A 23 4.436 11.818 25.335 1.00 0.00 O ATOM 1145 CB TRP A 23 7.230 10.699 25.972 1.00 0.00 C ATOM 1146 CG TRP A 23 8.430 9.820 25.825 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.395 9.966 24.887 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.801 8.656 26.618 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.335 8.965 25.055 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.014 8.134 26.109 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.210 8.012 27.718 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.617 7.008 26.674 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.814 6.883 28.288 1.00 0.00 C ATOM 1154 CH2 TRP A 23 10.013 6.383 27.767 1.00 0.00 C ATOM 0 H TRP A 23 6.637 10.942 23.483 1.00 0.00 H new ATOM 0 HA TRP A 23 5.976 8.974 25.611 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.415 11.669 25.511 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.024 10.881 27.027 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.426 10.737 24.132 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.164 8.855 24.471 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.284 8.389 28.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.542 6.624 26.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.352 6.396 29.134 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.472 5.512 28.211 1.00 0.00 H new ATOM 1165 N ARG A 24 3.975 10.066 26.592 1.00 0.00 N ATOM 1166 CA ARG A 24 2.691 10.648 27.095 1.00 0.00 C ATOM 1167 C ARG A 24 2.859 11.057 28.560 1.00 0.00 C ATOM 1168 O ARG A 24 3.860 10.767 29.186 1.00 0.00 O ATOM 1169 CB ARG A 24 1.584 9.591 27.009 1.00 0.00 C ATOM 1170 CG ARG A 24 1.360 9.153 25.554 1.00 0.00 C ATOM 1171 CD ARG A 24 0.455 10.155 24.826 1.00 0.00 C ATOM 1172 NE ARG A 24 0.400 9.820 23.377 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.564 10.300 22.640 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.500 11.027 23.187 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.596 10.045 21.362 1.00 0.00 N ATOM 0 H ARG A 24 4.192 9.140 26.960 1.00 0.00 H new ATOM 0 HA ARG A 24 2.428 11.516 26.490 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.852 8.727 27.617 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.658 9.994 27.419 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.318 9.078 25.039 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.907 8.162 25.532 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.548 10.131 25.253 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.835 11.168 24.961 1.00 0.00 H new ATOM 0 HE ARG A 24 1.112 9.219 22.962 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.477 11.219 24.189 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.254 11.403 22.613 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.132 9.470 20.938 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.349 10.420 20.786 1.00 0.00 H new ATOM 1189 N ARG A 25 1.879 11.721 29.112 1.00 0.00 N ATOM 1190 CA ARG A 25 1.959 12.149 30.542 1.00 0.00 C ATOM 1191 C ARG A 25 0.566 12.117 31.170 1.00 0.00 C ATOM 1192 O ARG A 25 -0.428 11.946 30.493 1.00 0.00 O ATOM 1193 CB ARG A 25 2.532 13.564 30.634 1.00 0.00 C ATOM 1194 CG ARG A 25 1.676 14.530 29.815 1.00 0.00 C ATOM 1195 CD ARG A 25 2.357 15.899 29.788 1.00 0.00 C ATOM 1196 NE ARG A 25 1.531 16.849 28.989 1.00 0.00 N ATOM 1197 CZ ARG A 25 1.774 18.132 29.035 1.00 0.00 C ATOM 1198 NH1 ARG A 25 2.753 18.587 29.767 1.00 0.00 N ATOM 1199 NH2 ARG A 25 1.041 18.959 28.341 1.00 0.00 N ATOM 0 H ARG A 25 1.020 11.988 28.631 1.00 0.00 H new ATOM 0 HA ARG A 25 2.614 11.464 31.080 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.563 13.886 31.675 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.558 13.574 30.267 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.549 14.153 28.800 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.681 14.613 30.251 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.483 16.275 30.803 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.353 15.813 29.354 1.00 0.00 H new ATOM 0 HE ARG A 25 0.773 16.496 28.404 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.331 17.941 30.305 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.941 19.589 29.801 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.279 18.604 27.763 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.230 19.961 28.376 1.00 0.00 H new ATOM 1213 N ASN A 26 0.494 12.285 32.467 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.820 12.276 33.180 1.00 0.00 C ATOM 1215 C ASN A 26 -0.886 13.546 34.043 1.00 0.00 C ATOM 1216 O ASN A 26 0.132 14.000 34.527 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.885 11.018 34.060 1.00 0.00 C ATOM 1218 CG ASN A 26 -2.008 11.131 35.094 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -1.847 11.894 36.140 1.00 0.00 O flip ATOM 1220 ND2 ASN A 26 -3.048 10.520 34.946 1.00 0.00 N flip ATOM 0 H ASN A 26 1.303 12.430 33.071 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.659 12.262 32.485 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.048 10.140 33.435 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.069 10.875 34.568 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.177 9.923 34.129 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.792 10.604 35.639 1.00 0.00 H new ATOM 1227 N PRO A 27 -2.046 14.141 34.227 1.00 0.00 N ATOM 1228 CA PRO A 27 -2.183 15.393 35.038 1.00 0.00 C ATOM 1229 C PRO A 27 -1.483 15.326 36.407 1.00 0.00 C ATOM 1230 O PRO A 27 -1.551 16.261 37.181 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.705 15.597 35.193 1.00 0.00 C ATOM 1232 CG PRO A 27 -4.348 14.350 34.668 1.00 0.00 C ATOM 1233 CD PRO A 27 -3.355 13.723 33.690 1.00 0.00 C ATOM 0 HA PRO A 27 -1.692 16.227 34.537 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.971 15.763 36.237 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.039 16.472 34.636 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.578 13.661 35.481 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.289 14.580 34.169 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.450 12.638 33.660 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.508 14.085 32.673 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.788 14.260 36.709 1.00 0.00 N ATOM 1242 CA GLU A 28 -0.066 14.180 38.015 1.00 0.00 C ATOM 1243 C GLU A 28 1.375 14.631 37.778 1.00 0.00 C ATOM 1244 O GLU A 28 2.106 14.955 38.694 1.00 0.00 O ATOM 1245 CB GLU A 28 -0.095 12.739 38.529 1.00 0.00 C ATOM 1246 CG GLU A 28 0.803 11.849 37.664 1.00 0.00 C ATOM 1247 CD GLU A 28 0.420 10.382 37.869 1.00 0.00 C ATOM 1248 OE1 GLU A 28 0.747 9.844 38.913 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -0.193 9.822 36.975 1.00 0.00 O ATOM 0 H GLU A 28 -0.689 13.442 36.108 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.540 14.818 38.761 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.241 12.708 39.566 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.117 12.361 38.514 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.697 12.120 36.613 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.849 12.003 37.929 1.00 0.00 H new ATOM 1256 N GLY A 29 1.764 14.681 36.532 1.00 0.00 N ATOM 1257 CA GLY A 29 3.137 15.140 36.169 1.00 0.00 C ATOM 1258 C GLY A 29 4.098 13.960 35.995 1.00 0.00 C ATOM 1259 O GLY A 29 5.273 14.150 35.752 1.00 0.00 O ATOM 0 H GLY A 29 1.180 14.419 35.738 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.096 15.716 35.245 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.515 15.807 36.944 1.00 0.00 H new ATOM 1263 N GLN A 30 3.629 12.743 36.098 1.00 0.00 N ATOM 1264 CA GLN A 30 4.557 11.584 35.910 1.00 0.00 C ATOM 1265 C GLN A 30 4.682 11.283 34.408 1.00 0.00 C ATOM 1266 O GLN A 30 3.711 11.378 33.684 1.00 0.00 O ATOM 1267 CB GLN A 30 4.031 10.346 36.657 1.00 0.00 C ATOM 1268 CG GLN A 30 2.863 9.692 35.905 1.00 0.00 C ATOM 1269 CD GLN A 30 2.302 8.544 36.745 1.00 0.00 C ATOM 1270 OE1 GLN A 30 1.268 7.991 36.427 1.00 0.00 O ATOM 1271 NE2 GLN A 30 2.947 8.157 37.812 1.00 0.00 N ATOM 0 H GLN A 30 2.659 12.502 36.301 1.00 0.00 H new ATOM 0 HA GLN A 30 5.536 11.835 36.317 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.837 9.623 36.779 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.706 10.633 37.657 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.084 10.429 35.708 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.201 9.319 34.938 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.815 8.621 38.079 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.583 7.391 38.378 1.00 0.00 H new ATOM 1280 N PRO A 31 5.845 10.905 33.929 1.00 0.00 N ATOM 1281 CA PRO A 31 6.035 10.575 32.486 1.00 0.00 C ATOM 1282 C PRO A 31 5.437 9.206 32.128 1.00 0.00 C ATOM 1283 O PRO A 31 5.462 8.282 32.915 1.00 0.00 O ATOM 1284 CB PRO A 31 7.558 10.566 32.324 1.00 0.00 C ATOM 1285 CG PRO A 31 8.073 10.156 33.664 1.00 0.00 C ATOM 1286 CD PRO A 31 7.103 10.752 34.687 1.00 0.00 C ATOM 0 HA PRO A 31 5.534 11.284 31.827 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.871 9.868 31.548 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.933 11.549 32.038 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.114 9.070 33.751 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.085 10.527 33.824 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.975 10.095 35.547 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.460 11.709 35.067 1.00 0.00 H new ATOM 1294 N LEU A 32 4.909 9.077 30.939 1.00 0.00 N ATOM 1295 CA LEU A 32 4.312 7.773 30.508 1.00 0.00 C ATOM 1296 C LEU A 32 4.675 7.511 29.046 1.00 0.00 C ATOM 1297 O LEU A 32 4.838 8.427 28.268 1.00 0.00 O ATOM 1298 CB LEU A 32 2.785 7.831 30.630 1.00 0.00 C ATOM 1299 CG LEU A 32 2.360 8.014 32.091 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.859 8.315 32.136 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.646 6.740 32.899 1.00 0.00 C ATOM 0 H LEU A 32 4.864 9.821 30.243 1.00 0.00 H new ATOM 0 HA LEU A 32 4.701 6.977 31.144 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.399 8.654 30.029 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.349 6.914 30.232 1.00 0.00 H new ATOM 0 HG LEU A 32 2.925 8.838 32.526 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.545 8.447 33.171 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.654 9.227 31.575 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.308 7.485 31.693 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.338 6.889 33.934 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.090 5.905 32.471 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.713 6.520 32.866 1.00 0.00 H new ATOM 1313 N CYS A 33 4.794 6.268 28.660 1.00 0.00 N ATOM 1314 CA CYS A 33 5.132 5.967 27.240 1.00 0.00 C ATOM 1315 C CYS A 33 3.892 6.177 26.364 1.00 0.00 C ATOM 1316 O CYS A 33 2.965 6.865 26.739 1.00 0.00 O ATOM 1317 CB CYS A 33 5.653 4.534 27.108 1.00 0.00 C ATOM 1318 SG CYS A 33 4.307 3.353 27.355 1.00 0.00 S ATOM 0 H CYS A 33 4.673 5.454 29.263 1.00 0.00 H new ATOM 0 HA CYS A 33 5.919 6.643 26.906 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.096 4.390 26.123 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.440 4.357 27.841 1.00 0.00 H new ATOM 0 HG CYS A 33 4.702 2.405 28.152 1.00 0.00 H new ATOM 1323 N ASN A 34 3.883 5.623 25.183 1.00 0.00 N ATOM 1324 CA ASN A 34 2.724 5.828 24.262 1.00 0.00 C ATOM 1325 C ASN A 34 1.511 4.960 24.630 1.00 0.00 C ATOM 1326 O ASN A 34 0.410 5.455 24.779 1.00 0.00 O ATOM 1327 CB ASN A 34 3.169 5.463 22.844 1.00 0.00 C ATOM 1328 CG ASN A 34 3.531 3.975 22.794 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.874 3.385 23.800 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.474 3.339 21.657 1.00 0.00 N ATOM 0 H ASN A 34 4.630 5.035 24.813 1.00 0.00 H new ATOM 0 HA ASN A 34 2.417 6.871 24.340 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.371 5.679 22.133 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.028 6.068 22.553 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.717 2.349 21.614 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.187 3.831 20.811 1.00 0.00 H new ATOM 1337 N ALA A 35 1.687 3.672 24.725 1.00 0.00 N ATOM 1338 CA ALA A 35 0.535 2.766 25.021 1.00 0.00 C ATOM 1339 C ALA A 35 -0.070 3.016 26.411 1.00 0.00 C ATOM 1340 O ALA A 35 -1.274 2.981 26.578 1.00 0.00 O ATOM 1341 CB ALA A 35 1.012 1.316 24.914 1.00 0.00 C ATOM 0 H ALA A 35 2.585 3.202 24.610 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.251 2.970 24.294 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.182 0.643 25.128 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.381 1.128 23.906 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.813 1.143 25.632 1.00 0.00 H new ATOM 1347 N CYS A 36 0.735 3.232 27.416 1.00 0.00 N ATOM 1348 CA CYS A 36 0.173 3.440 28.786 1.00 0.00 C ATOM 1349 C CYS A 36 -0.822 4.605 28.796 1.00 0.00 C ATOM 1350 O CYS A 36 -1.878 4.525 29.388 1.00 0.00 O ATOM 1351 CB CYS A 36 1.304 3.774 29.767 1.00 0.00 C ATOM 1352 SG CYS A 36 2.217 2.278 30.215 1.00 0.00 S ATOM 0 H CYS A 36 1.752 3.274 27.351 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.334 2.522 29.082 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.982 4.499 29.317 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.891 4.237 30.663 1.00 0.00 H new ATOM 0 HG CYS A 36 3.434 2.595 30.543 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.478 5.692 28.172 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.381 6.879 28.177 1.00 0.00 C ATOM 1359 C GLY A 37 -2.672 6.618 27.393 1.00 0.00 C ATOM 1360 O GLY A 37 -3.747 6.994 27.818 1.00 0.00 O ATOM 0 H GLY A 37 0.393 5.814 27.655 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.628 7.143 29.205 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.860 7.733 27.745 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.582 6.015 26.240 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.813 5.782 25.427 1.00 0.00 C ATOM 1366 C LEU A 38 -4.763 4.788 26.103 1.00 0.00 C ATOM 1367 O LEU A 38 -5.940 5.049 26.251 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.411 5.214 24.064 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.497 6.196 23.322 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.894 5.492 22.104 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.299 7.415 22.847 1.00 0.00 C ATOM 0 H LEU A 38 -1.715 5.674 25.825 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.329 6.736 25.322 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.899 4.261 24.197 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.302 5.016 23.468 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.709 6.529 23.997 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.242 6.183 21.570 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.316 4.628 22.432 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.694 5.162 21.441 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.637 8.104 22.322 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.092 7.089 22.174 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.738 7.919 23.708 1.00 0.00 H new ATOM 1383 N PHE A 39 -4.283 3.640 26.486 1.00 0.00 N ATOM 1384 CA PHE A 39 -5.192 2.638 27.112 1.00 0.00 C ATOM 1385 C PHE A 39 -5.610 3.075 28.518 1.00 0.00 C ATOM 1386 O PHE A 39 -6.765 2.989 28.888 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.485 1.285 27.203 1.00 0.00 C ATOM 1388 CG PHE A 39 -5.499 0.217 27.533 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.938 0.047 28.852 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -6.007 -0.600 26.517 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.883 -0.944 29.153 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.950 -1.590 26.817 1.00 0.00 C ATOM 1393 CZ PHE A 39 -7.388 -1.762 28.136 1.00 0.00 C ATOM 0 H PHE A 39 -3.309 3.352 26.395 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.083 2.557 26.489 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.991 1.055 26.259 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.710 1.317 27.969 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.549 0.679 29.637 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.671 -0.467 25.499 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.221 -1.076 30.170 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.340 -2.221 26.032 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.115 -2.526 28.368 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.675 3.508 29.317 1.00 0.00 N ATOM 1404 CA LEU A 40 -5.012 3.909 30.712 1.00 0.00 C ATOM 1405 C LEU A 40 -6.031 5.054 30.706 1.00 0.00 C ATOM 1406 O LEU A 40 -7.043 4.999 31.377 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.729 4.366 31.409 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.980 4.574 32.910 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -4.212 3.221 33.607 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.760 5.265 33.532 1.00 0.00 C ATOM 0 H LEU A 40 -3.691 3.602 29.064 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.448 3.062 31.241 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.945 3.623 31.265 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.375 5.294 30.961 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.868 5.193 33.041 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.388 3.385 34.670 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.079 2.729 33.167 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.333 2.590 33.478 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.931 5.416 34.598 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.877 4.641 33.391 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.603 6.230 33.050 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.772 6.096 29.964 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.723 7.245 29.926 1.00 0.00 C ATOM 1424 C LYS A 41 -8.078 6.791 29.379 1.00 0.00 C ATOM 1425 O LYS A 41 -9.119 7.195 29.857 1.00 0.00 O ATOM 1426 CB LYS A 41 -6.150 8.340 29.021 1.00 0.00 C ATOM 1427 CG LYS A 41 -7.023 9.593 29.110 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.444 10.681 28.202 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.313 11.939 28.285 1.00 0.00 C ATOM 1430 NZ LYS A 41 -7.275 12.486 29.671 1.00 0.00 N ATOM 0 H LYS A 41 -4.942 6.202 29.381 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.861 7.630 30.936 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.129 8.575 29.320 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.107 7.988 27.990 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.045 9.360 28.811 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.066 9.948 30.140 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.422 10.913 28.502 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.401 10.324 27.173 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.954 12.688 27.578 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.340 11.703 28.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.581 13.480 29.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.912 11.934 30.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.305 12.427 30.041 1.00 0.00 H new ATOM 1444 N LEU A 42 -8.072 5.965 28.369 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.357 5.491 27.770 1.00 0.00 C ATOM 1446 C LEU A 42 -10.098 4.543 28.719 1.00 0.00 C ATOM 1447 O LEU A 42 -11.312 4.551 28.781 1.00 0.00 O ATOM 1448 CB LEU A 42 -9.070 4.754 26.456 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.601 5.736 25.370 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -8.062 4.940 24.176 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.772 6.619 24.901 1.00 0.00 C ATOM 0 H LEU A 42 -7.229 5.595 27.929 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.985 6.363 27.588 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.306 3.994 26.620 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.969 4.236 26.121 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.820 6.375 25.782 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.727 5.629 23.401 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.224 4.322 24.499 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.851 4.302 23.778 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.423 7.308 24.132 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.562 5.989 24.492 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.162 7.186 25.747 1.00 0.00 H new ATOM 1463 N HIS A 43 -9.400 3.692 29.423 1.00 0.00 N ATOM 1464 CA HIS A 43 -10.098 2.715 30.316 1.00 0.00 C ATOM 1465 C HIS A 43 -10.254 3.254 31.741 1.00 0.00 C ATOM 1466 O HIS A 43 -11.179 2.887 32.438 1.00 0.00 O ATOM 1467 CB HIS A 43 -9.292 1.417 30.341 1.00 0.00 C ATOM 1468 CG HIS A 43 -9.335 0.807 28.968 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.534 1.265 27.936 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -10.103 -0.197 28.431 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.837 0.549 26.838 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.786 -0.358 27.085 1.00 0.00 N ATOM 0 H HIS A 43 -8.382 3.629 29.420 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.100 2.540 29.923 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.262 1.616 30.636 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.706 0.727 31.076 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.840 2.010 27.997 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.840 -0.773 28.970 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.370 0.690 25.875 1.00 0.00 H new ATOM 1480 N GLY A 44 -9.386 4.114 32.196 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.539 4.643 33.581 1.00 0.00 C ATOM 1482 C GLY A 44 -9.221 3.556 34.612 1.00 0.00 C ATOM 1483 O GLY A 44 -9.441 3.738 35.794 1.00 0.00 O ATOM 0 H GLY A 44 -8.585 4.471 31.675 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.875 5.495 33.726 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.557 5.004 33.728 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.714 2.428 34.186 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.394 1.335 35.157 1.00 0.00 C ATOM 1489 C VAL A 45 -7.096 0.631 34.753 1.00 0.00 C ATOM 1490 O VAL A 45 -6.748 0.561 33.591 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.540 0.321 35.177 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -10.760 0.954 35.848 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.899 -0.082 33.741 1.00 0.00 C ATOM 0 H VAL A 45 -8.507 2.215 33.210 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.267 1.768 36.149 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.232 -0.565 35.733 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.580 0.236 35.865 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.507 1.239 36.869 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.065 1.839 35.289 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.715 -0.804 33.759 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.208 0.801 33.182 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.029 -0.530 33.260 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.369 0.120 35.713 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.085 -0.566 35.395 1.00 0.00 C ATOM 1505 C VAL A 46 -5.305 -1.567 34.261 1.00 0.00 C ATOM 1506 O VAL A 46 -6.375 -2.121 34.106 1.00 0.00 O ATOM 1507 CB VAL A 46 -4.567 -1.304 36.637 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.263 -0.292 37.742 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -5.623 -2.294 37.137 1.00 0.00 C ATOM 0 H VAL A 46 -6.611 0.149 36.703 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.350 0.177 35.086 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.660 -1.848 36.374 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.895 -0.816 38.624 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.505 0.410 37.394 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.172 0.253 37.997 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.247 -2.813 38.018 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.534 -1.754 37.395 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.841 -3.020 36.354 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.289 -1.799 33.473 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.390 -2.760 32.335 1.00 0.00 C ATOM 1521 C ARG A 47 -3.314 -3.837 32.523 1.00 0.00 C ATOM 1522 O ARG A 47 -2.163 -3.505 32.721 1.00 0.00 O ATOM 1523 CB ARG A 47 -4.112 -1.999 31.031 1.00 0.00 C ATOM 1524 CG ARG A 47 -3.987 -2.977 29.849 1.00 0.00 C ATOM 1525 CD ARG A 47 -3.788 -2.211 28.524 1.00 0.00 C ATOM 1526 NE ARG A 47 -2.634 -2.788 27.761 1.00 0.00 N ATOM 1527 CZ ARG A 47 -1.442 -2.880 28.288 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -1.202 -2.369 29.465 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -0.480 -3.460 27.623 1.00 0.00 N ATOM 0 H ARG A 47 -3.376 -1.355 33.572 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.380 -3.215 32.298 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.917 -1.289 30.839 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.194 -1.420 31.130 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.146 -3.650 30.015 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.882 -3.595 29.786 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.696 -2.268 27.923 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.607 -1.156 28.729 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.783 -3.117 26.807 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.947 -1.896 29.977 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.270 -2.443 29.873 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.660 -3.840 26.694 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.451 -3.533 28.033 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.648 -5.107 32.448 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.632 -6.184 32.597 1.00 0.00 C ATOM 1545 C PRO A 48 -1.333 -5.809 31.873 1.00 0.00 C ATOM 1546 O PRO A 48 -1.181 -6.020 30.686 1.00 0.00 O ATOM 1547 CB PRO A 48 -3.308 -7.397 31.956 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.771 -7.186 32.194 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.995 -5.665 32.219 1.00 0.00 C ATOM 0 HA PRO A 48 -2.342 -6.367 33.632 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.085 -7.458 30.891 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.963 -8.327 32.408 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.363 -7.652 31.407 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.080 -7.639 33.136 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.420 -5.309 31.280 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.686 -5.377 33.011 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.409 -5.230 32.587 1.00 0.00 N ATOM 1558 CA LEU A 49 0.875 -4.809 31.959 1.00 0.00 C ATOM 1559 C LEU A 49 1.543 -6.025 31.311 1.00 0.00 C ATOM 1560 O LEU A 49 2.452 -5.896 30.515 1.00 0.00 O ATOM 1561 CB LEU A 49 1.789 -4.204 33.031 1.00 0.00 C ATOM 1562 CG LEU A 49 1.104 -2.995 33.688 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.026 -2.417 34.766 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.801 -1.909 32.642 1.00 0.00 C ATOM 0 H LEU A 49 -0.488 -5.029 33.584 1.00 0.00 H new ATOM 0 HA LEU A 49 0.687 -4.058 31.191 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.023 -4.954 33.786 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.734 -3.897 32.583 1.00 0.00 H new ATOM 0 HG LEU A 49 0.165 -3.323 34.134 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.544 -1.559 35.235 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.226 -3.178 35.520 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.965 -2.102 34.311 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.316 -1.062 33.127 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.732 -1.579 32.180 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.140 -2.316 31.876 1.00 0.00 H new ATOM 1576 N SER A 50 1.096 -7.204 31.647 1.00 0.00 N ATOM 1577 CA SER A 50 1.696 -8.438 31.059 1.00 0.00 C ATOM 1578 C SER A 50 1.432 -8.485 29.549 1.00 0.00 C ATOM 1579 O SER A 50 2.023 -9.271 28.836 1.00 0.00 O ATOM 1580 CB SER A 50 1.074 -9.670 31.716 1.00 0.00 C ATOM 1581 OG SER A 50 1.359 -9.654 33.107 1.00 0.00 O ATOM 0 H SER A 50 0.336 -7.368 32.308 1.00 0.00 H new ATOM 0 HA SER A 50 2.772 -8.427 31.235 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.004 -9.678 31.554 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.471 -10.578 31.262 1.00 0.00 H new ATOM 0 HG SER A 50 0.960 -10.442 33.532 1.00 0.00 H new ATOM 1587 N LEU A 51 0.551 -7.659 29.054 1.00 0.00 N ATOM 1588 CA LEU A 51 0.260 -7.674 27.588 1.00 0.00 C ATOM 1589 C LEU A 51 1.411 -7.022 26.833 1.00 0.00 C ATOM 1590 O LEU A 51 1.793 -7.454 25.762 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.992 -6.845 27.301 1.00 0.00 C ATOM 1592 CG LEU A 51 -2.223 -7.469 27.966 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -3.311 -6.401 28.091 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.757 -8.630 27.120 1.00 0.00 C ATOM 0 H LEU A 51 0.021 -6.977 29.596 1.00 0.00 H new ATOM 0 HA LEU A 51 0.121 -8.709 27.274 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.852 -5.828 27.667 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.150 -6.777 26.225 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.944 -7.847 28.950 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.193 -6.834 28.563 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.942 -5.575 28.699 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.574 -6.032 27.100 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.631 -9.062 27.606 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.036 -8.262 26.132 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.984 -9.392 27.019 1.00 0.00 H new ATOM 1606 N LYS A 52 1.942 -5.963 27.370 1.00 0.00 N ATOM 1607 CA LYS A 52 3.043 -5.247 26.672 1.00 0.00 C ATOM 1608 C LYS A 52 4.079 -6.234 26.135 1.00 0.00 C ATOM 1609 O LYS A 52 4.162 -7.372 26.553 1.00 0.00 O ATOM 1610 CB LYS A 52 3.730 -4.260 27.622 1.00 0.00 C ATOM 1611 CG LYS A 52 4.836 -3.529 26.847 1.00 0.00 C ATOM 1612 CD LYS A 52 5.296 -2.273 27.590 1.00 0.00 C ATOM 1613 CE LYS A 52 6.310 -2.633 28.682 1.00 0.00 C ATOM 1614 NZ LYS A 52 7.455 -3.376 28.083 1.00 0.00 N ATOM 0 H LYS A 52 1.661 -5.561 28.264 1.00 0.00 H new ATOM 0 HA LYS A 52 2.606 -4.700 25.837 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.006 -3.545 28.014 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.152 -4.788 28.477 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.684 -4.198 26.700 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.470 -3.256 25.857 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.745 -1.572 26.887 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.436 -1.772 28.035 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.668 -1.727 29.171 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.831 -3.241 29.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.294 -3.267 28.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.212 -4.384 28.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.659 -2.996 27.137 1.00 0.00 H new ATOM 1628 N THR A 53 4.894 -5.771 25.227 1.00 0.00 N ATOM 1629 CA THR A 53 5.975 -6.612 24.649 1.00 0.00 C ATOM 1630 C THR A 53 7.152 -5.696 24.324 1.00 0.00 C ATOM 1631 O THR A 53 7.038 -4.488 24.387 1.00 0.00 O ATOM 1632 CB THR A 53 5.495 -7.295 23.367 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.619 -7.778 22.647 1.00 0.00 O ATOM 1634 CG2 THR A 53 4.715 -6.301 22.499 1.00 0.00 C ATOM 0 H THR A 53 4.853 -4.822 24.855 1.00 0.00 H new ATOM 0 HA THR A 53 6.265 -7.385 25.361 1.00 0.00 H new ATOM 0 HB THR A 53 4.838 -8.125 23.626 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.317 -8.218 21.825 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.378 -6.798 21.589 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.851 -5.934 23.053 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.360 -5.463 22.237 1.00 0.00 H new ATOM 1642 N ASP A 54 8.285 -6.244 23.988 1.00 0.00 N ATOM 1643 CA ASP A 54 9.462 -5.382 23.676 1.00 0.00 C ATOM 1644 C ASP A 54 9.502 -5.113 22.170 1.00 0.00 C ATOM 1645 O ASP A 54 10.418 -4.496 21.664 1.00 0.00 O ATOM 1646 CB ASP A 54 10.740 -6.110 24.103 1.00 0.00 C ATOM 1647 CG ASP A 54 10.801 -6.166 25.631 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.106 -5.386 26.260 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.535 -6.994 26.145 1.00 0.00 O ATOM 0 H ASP A 54 8.449 -7.248 23.915 1.00 0.00 H new ATOM 0 HA ASP A 54 9.385 -4.436 24.211 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.754 -7.118 23.689 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.616 -5.593 23.711 1.00 0.00 H new ATOM 1654 N VAL A 55 8.498 -5.562 21.459 1.00 0.00 N ATOM 1655 CA VAL A 55 8.432 -5.338 19.982 1.00 0.00 C ATOM 1656 C VAL A 55 7.220 -4.458 19.666 1.00 0.00 C ATOM 1657 O VAL A 55 6.132 -4.688 20.157 1.00 0.00 O ATOM 1658 CB VAL A 55 8.278 -6.679 19.259 1.00 0.00 C ATOM 1659 CG1 VAL A 55 8.173 -6.440 17.752 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.497 -7.559 19.546 1.00 0.00 C ATOM 0 H VAL A 55 7.710 -6.082 21.845 1.00 0.00 H new ATOM 0 HA VAL A 55 9.348 -4.851 19.648 1.00 0.00 H new ATOM 0 HB VAL A 55 7.376 -7.177 19.614 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.063 -7.395 17.239 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.306 -5.814 17.542 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.075 -5.940 17.399 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.386 -8.513 19.031 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.398 -7.058 19.193 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.576 -7.733 20.619 1.00 0.00 H new ATOM 1670 N ILE A 56 7.400 -3.458 18.844 1.00 0.00 N ATOM 1671 CA ILE A 56 6.266 -2.556 18.476 1.00 0.00 C ATOM 1672 C ILE A 56 5.905 -2.818 17.014 1.00 0.00 C ATOM 1673 O ILE A 56 6.763 -2.844 16.154 1.00 0.00 O ATOM 1674 CB ILE A 56 6.706 -1.099 18.633 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.116 -0.842 20.084 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.531 -0.182 18.279 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.786 0.529 20.189 1.00 0.00 C ATOM 0 H ILE A 56 8.292 -3.225 18.407 1.00 0.00 H new ATOM 0 HA ILE A 56 5.407 -2.744 19.120 1.00 0.00 H new ATOM 0 HB ILE A 56 7.550 -0.900 17.973 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.241 -0.882 20.733 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.800 -1.620 20.423 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.836 0.859 18.388 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.225 -0.364 17.249 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.695 -0.387 18.948 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.078 0.713 21.223 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.670 0.552 19.552 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.087 1.301 19.867 1.00 0.00 H new ATOM 1689 N LYS A 57 4.652 -3.031 16.717 1.00 0.00 N ATOM 1690 CA LYS A 57 4.267 -3.312 15.303 1.00 0.00 C ATOM 1691 C LYS A 57 4.195 -2.002 14.516 1.00 0.00 C ATOM 1692 O LYS A 57 3.520 -1.067 14.898 1.00 0.00 O ATOM 1693 CB LYS A 57 2.900 -4.010 15.283 1.00 0.00 C ATOM 1694 CG LYS A 57 2.425 -4.272 13.843 1.00 0.00 C ATOM 1695 CD LYS A 57 3.365 -5.247 13.127 1.00 0.00 C ATOM 1696 CE LYS A 57 2.693 -5.750 11.848 1.00 0.00 C ATOM 1697 NZ LYS A 57 3.584 -6.736 11.172 1.00 0.00 N ATOM 0 H LYS A 57 3.882 -3.023 17.386 1.00 0.00 H new ATOM 0 HA LYS A 57 5.013 -3.959 14.842 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.964 -4.954 15.824 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.167 -3.393 15.803 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.414 -4.679 13.858 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.382 -3.332 13.293 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.306 -4.752 12.887 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.604 -6.086 13.780 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.735 -6.213 12.086 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.486 -4.914 11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.127 -7.078 10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.487 -6.280 10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.760 -7.539 11.809 1.00 0.00 H new ATOM 1711 N LYS A 58 4.884 -1.943 13.408 1.00 0.00 N ATOM 1712 CA LYS A 58 4.862 -0.712 12.569 1.00 0.00 C ATOM 1713 C LYS A 58 3.663 -0.761 11.620 1.00 0.00 C ATOM 1714 O LYS A 58 3.501 -1.695 10.860 1.00 0.00 O ATOM 1715 CB LYS A 58 6.149 -0.635 11.741 1.00 0.00 C ATOM 1716 CG LYS A 58 7.338 -0.342 12.660 1.00 0.00 C ATOM 1717 CD LYS A 58 8.652 -0.568 11.905 1.00 0.00 C ATOM 1718 CE LYS A 58 8.744 0.369 10.696 1.00 0.00 C ATOM 1719 NZ LYS A 58 8.361 1.751 11.098 1.00 0.00 N ATOM 0 H LYS A 58 5.464 -2.700 13.047 1.00 0.00 H new ATOM 0 HA LYS A 58 4.785 0.162 13.215 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.309 -1.574 11.212 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.060 0.145 10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.287 0.686 13.018 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.298 -0.987 13.538 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.496 -0.394 12.572 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.715 -1.605 11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.758 0.364 10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.087 0.017 9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.806 2.436 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.327 1.852 11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.682 1.931 12.071 1.00 0.00 H new ATOM 1733 N ARG A 59 2.825 0.240 11.654 1.00 0.00 N ATOM 1734 CA ARG A 59 1.635 0.263 10.752 1.00 0.00 C ATOM 1735 C ARG A 59 1.951 1.131 9.539 1.00 0.00 C ATOM 1736 O ARG A 59 3.038 1.656 9.402 1.00 0.00 O ATOM 1737 CB ARG A 59 0.432 0.858 11.494 1.00 0.00 C ATOM 1738 CG ARG A 59 -0.124 -0.143 12.516 1.00 0.00 C ATOM 1739 CD ARG A 59 -1.011 -1.184 11.818 1.00 0.00 C ATOM 1740 NE ARG A 59 -1.844 -1.902 12.834 1.00 0.00 N ATOM 1741 CZ ARG A 59 -1.307 -2.527 13.848 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -0.017 -2.698 13.916 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -2.075 -3.032 14.773 1.00 0.00 N ATOM 0 H ARG A 59 2.913 1.048 12.271 1.00 0.00 H new ATOM 0 HA ARG A 59 1.398 -0.753 10.437 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.729 1.776 12.001 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.346 1.126 10.779 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.698 -0.642 13.030 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.701 0.385 13.275 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.654 -0.695 11.086 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.392 -1.896 11.273 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.859 -1.903 12.732 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.584 -2.342 13.173 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.391 -3.187 14.712 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.088 -2.938 14.702 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.663 -3.521 15.567 1.00 0.00 H new ATOM 1757 N ASN A 60 1.016 1.262 8.643 1.00 0.00 N ATOM 1758 CA ASN A 60 1.268 2.069 7.423 1.00 0.00 C ATOM 1759 C ASN A 60 1.226 3.555 7.764 1.00 0.00 C ATOM 1760 O ASN A 60 1.254 3.950 8.914 1.00 0.00 O ATOM 1761 CB ASN A 60 0.189 1.769 6.381 1.00 0.00 C ATOM 1762 CG ASN A 60 0.297 0.311 5.936 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -0.667 -0.427 5.987 1.00 0.00 O ATOM 1764 ND2 ASN A 60 1.440 -0.138 5.498 1.00 0.00 N ATOM 0 H ASN A 60 0.088 0.844 8.704 1.00 0.00 H new ATOM 0 HA ASN A 60 2.251 1.814 7.026 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.799 1.959 6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.304 2.431 5.523 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.525 -1.109 5.198 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.249 0.482 5.455 1.00 0.00 H new