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 156:sc= 1.94 USER MOD Set 1.2: A 15 CYS SG : rot -61:sc= 0.412 USER MOD Set 1.3: A 17 THR OG1 : rot 87:sc= -2.55! USER MOD Set 1.4: A 33 CYS SG : rot -134:sc= 1.35 USER MOD Set 1.5: A 36 CYS SG : rot 144:sc= 0.179 USER MOD Set 1.6: A 52 LYS NZ :NH3+ 180:sc= 0.913 (180deg=0.356) USER MOD Set 2.1: A 20 THR OG1 : rot -120:sc= -0.178 USER MOD Set 2.2: A 34 ASN : amide:sc= -3.31! C(o=-3.5!,f=-11!) USER MOD Set 3.1: A 13 THR OG1 : rot 53:sc= -0.143 USER MOD Set 3.2: A 14 ASN : amide:sc= -2.95 K(o=-3.1,f=-8!) USER MOD Single : A 11 THR OG1 : rot 34:sc= 0.192 USER MOD Single : A 18 GLN : amide:sc= -1.18! K(o=-1.2!,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.47 K(o=-1.5,f=-0.93) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= -0.133 (180deg=-0.776) USER MOD Single : A 43 HIS : no HE2:sc= -8.44! C(o=-8.4!,f=-11!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= -0.0383 (180deg=-0.427) USER MOD Single : A 60 ASN : amide:sc= -0.277 K(o=-0.28,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 11.676 7.096 31.635 1.00 0.00 N ATOM 971 CA THR A 11 11.236 5.673 31.749 1.00 0.00 C ATOM 972 C THR A 11 9.732 5.639 32.039 1.00 0.00 C ATOM 973 O THR A 11 9.229 6.423 32.819 1.00 0.00 O ATOM 974 CB THR A 11 11.997 5.019 32.909 1.00 0.00 C ATOM 975 OG1 THR A 11 13.393 5.165 32.694 1.00 0.00 O ATOM 976 CG2 THR A 11 11.649 3.530 33.006 1.00 0.00 C ATOM 0 HA THR A 11 11.440 5.136 30.823 1.00 0.00 H new ATOM 0 HB THR A 11 11.710 5.507 33.840 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.568 6.023 32.253 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.198 3.081 33.834 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.578 3.417 33.176 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.923 3.031 32.077 1.00 0.00 H new ATOM 984 N CYS A 12 9.004 4.747 31.422 1.00 0.00 N ATOM 985 CA CYS A 12 7.535 4.690 31.682 1.00 0.00 C ATOM 986 C CYS A 12 7.288 4.169 33.097 1.00 0.00 C ATOM 987 O CYS A 12 7.496 3.007 33.388 1.00 0.00 O ATOM 988 CB CYS A 12 6.854 3.763 30.676 1.00 0.00 C ATOM 989 SG CYS A 12 5.082 4.136 30.643 1.00 0.00 S ATOM 0 H CYS A 12 9.358 4.061 30.755 1.00 0.00 H new ATOM 0 HA CYS A 12 7.120 5.693 31.579 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.287 3.899 29.685 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.015 2.721 30.954 1.00 0.00 H new ATOM 0 HG CYS A 12 4.583 3.773 29.499 1.00 0.00 H new ATOM 994 N THR A 13 6.838 5.020 33.973 1.00 0.00 N ATOM 995 CA THR A 13 6.579 4.586 35.372 1.00 0.00 C ATOM 996 C THR A 13 5.435 3.573 35.413 1.00 0.00 C ATOM 997 O THR A 13 5.177 2.972 36.437 1.00 0.00 O ATOM 998 CB THR A 13 6.205 5.801 36.223 1.00 0.00 C ATOM 999 OG1 THR A 13 4.956 6.317 35.786 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.283 6.875 36.076 1.00 0.00 C ATOM 0 H THR A 13 6.638 6.001 33.780 1.00 0.00 H new ATOM 0 HA THR A 13 7.482 4.119 35.766 1.00 0.00 H new ATOM 0 HB THR A 13 6.128 5.505 37.269 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.292 5.596 35.769 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.018 7.742 36.682 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.241 6.477 36.411 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.360 7.173 35.030 1.00 0.00 H new ATOM 1008 N ASN A 14 4.732 3.384 34.324 1.00 0.00 N ATOM 1009 CA ASN A 14 3.590 2.420 34.326 1.00 0.00 C ATOM 1010 C ASN A 14 3.987 1.086 33.683 1.00 0.00 C ATOM 1011 O ASN A 14 3.488 0.050 34.074 1.00 0.00 O ATOM 1012 CB ASN A 14 2.425 3.025 33.544 1.00 0.00 C ATOM 1013 CG ASN A 14 1.922 4.273 34.272 1.00 0.00 C ATOM 1014 OD1 ASN A 14 2.624 4.838 35.087 1.00 0.00 O ATOM 1015 ND2 ASN A 14 0.722 4.723 34.023 1.00 0.00 N ATOM 0 H ASN A 14 4.900 3.855 33.435 1.00 0.00 H new ATOM 0 HA ASN A 14 3.301 2.231 35.360 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.745 3.283 32.534 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.620 2.297 33.447 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.375 5.548 34.512 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.132 4.250 33.339 1.00 0.00 H new ATOM 1022 N CYS A 15 4.849 1.086 32.691 1.00 0.00 N ATOM 1023 CA CYS A 15 5.224 -0.211 32.033 1.00 0.00 C ATOM 1024 C CYS A 15 6.730 -0.273 31.760 1.00 0.00 C ATOM 1025 O CYS A 15 7.194 -1.117 31.020 1.00 0.00 O ATOM 1026 CB CYS A 15 4.445 -0.364 30.720 1.00 0.00 C ATOM 1027 SG CYS A 15 5.212 0.624 29.413 1.00 0.00 S ATOM 0 H CYS A 15 5.304 1.916 32.312 1.00 0.00 H new ATOM 0 HA CYS A 15 4.969 -1.029 32.707 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.420 -1.413 30.425 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.412 -0.049 30.864 1.00 0.00 H new ATOM 0 HG CYS A 15 5.190 1.880 29.749 1.00 0.00 H new ATOM 1032 N PHE A 16 7.499 0.591 32.366 1.00 0.00 N ATOM 1033 CA PHE A 16 8.980 0.564 32.173 1.00 0.00 C ATOM 1034 C PHE A 16 9.381 0.678 30.696 1.00 0.00 C ATOM 1035 O PHE A 16 10.551 0.622 30.376 1.00 0.00 O ATOM 1036 CB PHE A 16 9.550 -0.740 32.742 1.00 0.00 C ATOM 1037 CG PHE A 16 9.242 -0.837 34.217 1.00 0.00 C ATOM 1038 CD1 PHE A 16 9.981 -0.081 35.134 1.00 0.00 C ATOM 1039 CD2 PHE A 16 8.221 -1.682 34.671 1.00 0.00 C ATOM 1040 CE1 PHE A 16 9.702 -0.170 36.503 1.00 0.00 C ATOM 1041 CE2 PHE A 16 7.943 -1.772 36.040 1.00 0.00 C ATOM 1042 CZ PHE A 16 8.682 -1.016 36.956 1.00 0.00 C ATOM 0 H PHE A 16 7.162 1.322 32.993 1.00 0.00 H new ATOM 0 HA PHE A 16 9.388 1.427 32.699 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.123 -1.594 32.216 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.628 -0.775 32.584 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.767 0.572 34.785 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.648 -2.264 33.964 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.273 0.414 37.210 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.157 -2.426 36.389 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.466 -1.085 38.012 1.00 0.00 H new ATOM 1052 N THR A 17 8.457 0.810 29.782 1.00 0.00 N ATOM 1053 CA THR A 17 8.869 0.887 28.347 1.00 0.00 C ATOM 1054 C THR A 17 9.856 2.038 28.140 1.00 0.00 C ATOM 1055 O THR A 17 9.627 3.153 28.562 1.00 0.00 O ATOM 1056 CB THR A 17 7.651 1.125 27.442 1.00 0.00 C ATOM 1057 OG1 THR A 17 6.839 -0.036 27.421 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.115 1.434 26.014 1.00 0.00 C ATOM 0 H THR A 17 7.454 0.867 29.959 1.00 0.00 H new ATOM 0 HA THR A 17 9.339 -0.061 28.086 1.00 0.00 H new ATOM 0 HB THR A 17 7.081 1.968 27.832 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.206 -0.006 28.168 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.246 1.602 25.377 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.739 2.328 26.020 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.690 0.592 25.628 1.00 0.00 H new ATOM 1066 N GLN A 18 10.946 1.760 27.472 1.00 0.00 N ATOM 1067 CA GLN A 18 11.967 2.813 27.191 1.00 0.00 C ATOM 1068 C GLN A 18 11.910 3.192 25.707 1.00 0.00 C ATOM 1069 O GLN A 18 12.454 4.199 25.298 1.00 0.00 O ATOM 1070 CB GLN A 18 13.356 2.277 27.543 1.00 0.00 C ATOM 1071 CG GLN A 18 13.474 2.164 29.064 1.00 0.00 C ATOM 1072 CD GLN A 18 14.857 1.628 29.445 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.224 1.635 30.603 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.645 1.162 28.515 1.00 0.00 N ATOM 0 H GLN A 18 11.174 0.836 27.105 1.00 0.00 H new ATOM 0 HA GLN A 18 11.762 3.698 27.793 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.512 1.303 27.080 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.126 2.943 27.154 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.314 3.140 29.523 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.699 1.501 29.449 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.338 1.156 27.542 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.568 0.804 28.761 1.00 0.00 H new ATOM 1083 N THR A 19 11.247 2.398 24.901 1.00 0.00 N ATOM 1084 CA THR A 19 11.137 2.705 23.437 1.00 0.00 C ATOM 1085 C THR A 19 9.699 3.121 23.113 1.00 0.00 C ATOM 1086 O THR A 19 8.755 2.434 23.449 1.00 0.00 O ATOM 1087 CB THR A 19 11.498 1.457 22.624 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.754 0.957 23.061 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.583 1.826 21.142 1.00 0.00 C ATOM 0 H THR A 19 10.773 1.544 25.195 1.00 0.00 H new ATOM 0 HA THR A 19 11.820 3.516 23.183 1.00 0.00 H new ATOM 0 HB THR A 19 10.734 0.693 22.766 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.986 0.158 22.543 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.840 0.940 20.561 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.620 2.213 20.808 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.350 2.588 21.000 1.00 0.00 H new ATOM 1097 N THR A 20 9.520 4.246 22.468 1.00 0.00 N ATOM 1098 CA THR A 20 8.139 4.703 22.135 1.00 0.00 C ATOM 1099 C THR A 20 8.203 5.823 21.083 1.00 0.00 C ATOM 1100 O THR A 20 9.135 6.602 21.071 1.00 0.00 O ATOM 1101 CB THR A 20 7.481 5.241 23.411 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.219 5.812 23.100 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.378 6.309 24.043 1.00 0.00 C ATOM 0 H THR A 20 10.269 4.866 22.159 1.00 0.00 H new ATOM 0 HA THR A 20 7.560 3.871 21.735 1.00 0.00 H new ATOM 0 HB THR A 20 7.343 4.418 24.113 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.215 6.758 23.357 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.907 6.689 24.950 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.345 5.871 24.292 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.521 7.128 23.338 1.00 0.00 H new ATOM 1111 N PRO A 21 7.223 5.924 20.212 1.00 0.00 N ATOM 1112 CA PRO A 21 7.191 6.990 19.167 1.00 0.00 C ATOM 1113 C PRO A 21 6.978 8.382 19.778 1.00 0.00 C ATOM 1114 O PRO A 21 7.296 9.389 19.178 1.00 0.00 O ATOM 1115 CB PRO A 21 6.007 6.595 18.270 1.00 0.00 C ATOM 1116 CG PRO A 21 5.118 5.776 19.148 1.00 0.00 C ATOM 1117 CD PRO A 21 6.046 5.042 20.115 1.00 0.00 C ATOM 0 HA PRO A 21 8.132 7.058 18.622 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.487 7.475 17.892 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.341 6.025 17.403 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.412 6.408 19.687 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.530 5.071 18.560 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.575 4.895 21.087 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.316 4.055 19.739 1.00 0.00 H new ATOM 1125 N VAL A 22 6.435 8.445 20.964 1.00 0.00 N ATOM 1126 CA VAL A 22 6.197 9.771 21.602 1.00 0.00 C ATOM 1127 C VAL A 22 5.943 9.589 23.101 1.00 0.00 C ATOM 1128 O VAL A 22 5.266 8.673 23.525 1.00 0.00 O ATOM 1129 CB VAL A 22 4.981 10.441 20.953 1.00 0.00 C ATOM 1130 CG1 VAL A 22 3.713 9.650 21.284 1.00 0.00 C ATOM 1131 CG2 VAL A 22 4.835 11.873 21.478 1.00 0.00 C ATOM 0 H VAL A 22 6.147 7.638 21.517 1.00 0.00 H new ATOM 0 HA VAL A 22 7.077 10.399 21.462 1.00 0.00 H new ATOM 0 HB VAL A 22 5.124 10.462 19.873 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.852 10.131 20.820 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.809 8.633 20.904 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.574 9.621 22.365 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.969 12.344 21.013 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.700 11.852 22.559 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.732 12.443 21.235 1.00 0.00 H new ATOM 1141 N TRP A 23 6.481 10.470 23.901 1.00 0.00 N ATOM 1142 CA TRP A 23 6.278 10.370 25.376 1.00 0.00 C ATOM 1143 C TRP A 23 4.997 11.106 25.764 1.00 0.00 C ATOM 1144 O TRP A 23 4.776 12.241 25.390 1.00 0.00 O ATOM 1145 CB TRP A 23 7.468 10.991 26.112 1.00 0.00 C ATOM 1146 CG TRP A 23 8.636 10.062 26.031 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.724 10.248 25.252 1.00 0.00 C ATOM 1148 CD2 TRP A 23 8.843 8.801 26.730 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.591 9.187 25.434 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.091 8.268 26.334 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.079 8.076 27.662 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.565 7.056 26.841 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.550 6.857 28.175 1.00 0.00 C ATOM 1154 CH2 TRP A 23 9.790 6.347 27.765 1.00 0.00 C ATOM 0 H TRP A 23 7.054 11.257 23.596 1.00 0.00 H new ATOM 0 HA TRP A 23 6.196 9.320 25.655 1.00 0.00 H new ATOM 0 HB2 TRP A 23 7.723 11.954 25.669 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.209 11.178 27.154 1.00 0.00 H new ATOM 0 HD1 TRP A 23 9.889 11.089 24.594 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.490 9.095 24.961 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.123 8.460 27.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.522 6.669 26.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.954 6.309 28.890 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.146 5.408 28.162 1.00 0.00 H new ATOM 1165 N ARG A 24 4.153 10.456 26.515 1.00 0.00 N ATOM 1166 CA ARG A 24 2.875 11.088 26.950 1.00 0.00 C ATOM 1167 C ARG A 24 3.061 11.648 28.357 1.00 0.00 C ATOM 1168 O ARG A 24 3.986 11.291 29.058 1.00 0.00 O ATOM 1169 CB ARG A 24 1.771 10.025 26.963 1.00 0.00 C ATOM 1170 CG ARG A 24 1.497 9.517 25.540 1.00 0.00 C ATOM 1171 CD ARG A 24 0.573 10.479 24.785 1.00 0.00 C ATOM 1172 NE ARG A 24 0.404 10.005 23.384 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.602 10.424 22.669 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.513 11.188 23.206 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -0.707 10.063 21.419 1.00 0.00 N ATOM 0 H ARG A 24 4.295 9.503 26.850 1.00 0.00 H new ATOM 0 HA ARG A 24 2.598 11.891 26.267 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.067 9.193 27.602 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.859 10.445 27.388 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.438 9.411 25.000 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.041 8.528 25.584 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.396 10.535 25.281 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.993 11.485 24.792 1.00 0.00 H new ATOM 0 HE ARG A 24 1.077 9.351 22.983 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.439 11.458 24.187 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.300 11.515 22.645 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.002 9.454 21.003 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.494 10.390 20.858 1.00 0.00 H new ATOM 1189 N ARG A 25 2.188 12.526 28.773 1.00 0.00 N ATOM 1190 CA ARG A 25 2.302 13.124 30.136 1.00 0.00 C ATOM 1191 C ARG A 25 0.927 13.132 30.796 1.00 0.00 C ATOM 1192 O ARG A 25 -0.088 12.984 30.144 1.00 0.00 O ATOM 1193 CB ARG A 25 2.817 14.558 30.034 1.00 0.00 C ATOM 1194 CG ARG A 25 4.197 14.567 29.374 1.00 0.00 C ATOM 1195 CD ARG A 25 4.694 16.008 29.282 1.00 0.00 C ATOM 1196 NE ARG A 25 5.834 16.088 28.317 1.00 0.00 N ATOM 1197 CZ ARG A 25 6.921 15.387 28.484 1.00 0.00 C ATOM 1198 NH1 ARG A 25 7.117 14.722 29.590 1.00 0.00 N ATOM 1199 NH2 ARG A 25 7.842 15.392 27.558 1.00 0.00 N ATOM 0 H ARG A 25 1.395 12.857 28.223 1.00 0.00 H new ATOM 0 HA ARG A 25 2.998 12.533 30.731 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.122 15.163 29.453 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.875 15.005 31.027 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.896 13.964 29.954 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.142 14.123 28.380 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.884 16.662 28.958 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.012 16.357 30.265 1.00 0.00 H new ATOM 0 HE ARG A 25 5.759 16.706 27.509 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.417 14.748 30.332 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.970 14.176 29.713 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.709 15.942 26.710 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.694 14.846 27.683 1.00 0.00 H new ATOM 1213 N ASN A 26 0.895 13.289 32.092 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.398 13.295 32.835 1.00 0.00 C ATOM 1215 C ASN A 26 -0.430 14.531 33.748 1.00 0.00 C ATOM 1216 O ASN A 26 0.597 14.920 34.262 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.446 12.023 33.694 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.886 11.702 34.092 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.584 11.005 33.383 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -2.362 12.181 35.209 1.00 0.00 N ATOM 0 H ASN A 26 1.722 13.415 32.675 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.247 13.324 32.152 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.020 11.186 33.140 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.164 12.157 34.588 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.320 11.970 35.487 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.775 12.766 35.804 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.574 15.143 33.975 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.676 16.327 34.884 1.00 0.00 C ATOM 1229 C PRO A 27 -0.936 16.135 36.219 1.00 0.00 C ATOM 1230 O PRO A 27 -0.906 17.022 37.049 1.00 0.00 O ATOM 1231 CB PRO A 27 -3.182 16.463 35.119 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.794 15.962 33.857 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.894 14.815 33.388 1.00 0.00 C ATOM 0 HA PRO A 27 -1.212 17.209 34.443 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.506 15.877 35.979 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.463 17.498 35.315 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.814 15.616 34.027 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.846 16.751 33.107 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.260 13.850 33.739 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.847 14.762 32.300 1.00 0.00 H new ATOM 1241 N GLU A 28 -0.310 15.003 36.423 1.00 0.00 N ATOM 1242 CA GLU A 28 0.456 14.776 37.684 1.00 0.00 C ATOM 1243 C GLU A 28 1.927 15.093 37.403 1.00 0.00 C ATOM 1244 O GLU A 28 2.717 15.314 38.299 1.00 0.00 O ATOM 1245 CB GLU A 28 0.318 13.313 38.115 1.00 0.00 C ATOM 1246 CG GLU A 28 -1.114 13.054 38.590 1.00 0.00 C ATOM 1247 CD GLU A 28 -1.306 11.558 38.842 1.00 0.00 C ATOM 1248 OE1 GLU A 28 -0.356 10.818 38.654 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -2.405 11.177 39.212 1.00 0.00 O ATOM 0 H GLU A 28 -0.297 14.223 35.766 1.00 0.00 H new ATOM 0 HA GLU A 28 0.074 15.413 38.482 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.561 12.653 37.282 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.024 13.090 38.915 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.313 13.616 39.503 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.825 13.401 37.841 1.00 0.00 H new ATOM 1256 N GLY A 29 2.288 15.122 36.148 1.00 0.00 N ATOM 1257 CA GLY A 29 3.694 15.433 35.757 1.00 0.00 C ATOM 1258 C GLY A 29 4.522 14.150 35.661 1.00 0.00 C ATOM 1259 O GLY A 29 5.722 14.195 35.472 1.00 0.00 O ATOM 0 H GLY A 29 1.659 14.941 35.366 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.704 15.952 34.798 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.140 16.106 36.489 1.00 0.00 H new ATOM 1263 N GLN A 30 3.901 13.006 35.768 1.00 0.00 N ATOM 1264 CA GLN A 30 4.670 11.732 35.657 1.00 0.00 C ATOM 1265 C GLN A 30 4.816 11.374 34.169 1.00 0.00 C ATOM 1266 O GLN A 30 3.901 11.589 33.400 1.00 0.00 O ATOM 1267 CB GLN A 30 3.913 10.614 36.380 1.00 0.00 C ATOM 1268 CG GLN A 30 2.505 10.481 35.795 1.00 0.00 C ATOM 1269 CD GLN A 30 1.733 9.403 36.558 1.00 0.00 C ATOM 1270 OE1 GLN A 30 2.288 8.716 37.394 1.00 0.00 O ATOM 1271 NE2 GLN A 30 0.466 9.222 36.302 1.00 0.00 N ATOM 0 H GLN A 30 2.899 12.898 35.927 1.00 0.00 H new ATOM 0 HA GLN A 30 5.654 11.849 36.110 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.451 9.672 36.276 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.855 10.832 37.446 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.981 11.434 35.862 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.562 10.222 34.738 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.000 9.798 35.601 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.058 8.505 36.803 1.00 0.00 H new ATOM 1280 N PRO A 31 5.936 10.835 33.745 1.00 0.00 N ATOM 1281 CA PRO A 31 6.136 10.461 32.315 1.00 0.00 C ATOM 1282 C PRO A 31 5.474 9.121 31.964 1.00 0.00 C ATOM 1283 O PRO A 31 5.501 8.182 32.733 1.00 0.00 O ATOM 1284 CB PRO A 31 7.658 10.361 32.197 1.00 0.00 C ATOM 1285 CG PRO A 31 8.096 9.880 33.540 1.00 0.00 C ATOM 1286 CD PRO A 31 7.134 10.521 34.550 1.00 0.00 C ATOM 0 HA PRO A 31 5.686 11.181 31.631 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.952 9.667 31.410 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.103 11.326 31.954 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.055 8.792 33.598 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.127 10.172 33.743 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.899 9.839 35.367 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.562 11.418 34.997 1.00 0.00 H new ATOM 1294 N LEU A 32 4.898 9.033 30.794 1.00 0.00 N ATOM 1295 CA LEU A 32 4.239 7.763 30.353 1.00 0.00 C ATOM 1296 C LEU A 32 4.607 7.494 28.891 1.00 0.00 C ATOM 1297 O LEU A 32 4.780 8.410 28.113 1.00 0.00 O ATOM 1298 CB LEU A 32 2.716 7.902 30.456 1.00 0.00 C ATOM 1299 CG LEU A 32 2.285 8.127 31.911 1.00 0.00 C ATOM 1300 CD1 LEU A 32 0.783 8.442 31.948 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.571 6.872 32.752 1.00 0.00 C ATOM 0 H LEU A 32 4.854 9.794 30.116 1.00 0.00 H new ATOM 0 HA LEU A 32 4.575 6.944 30.989 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.380 8.736 29.840 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.237 7.004 30.065 1.00 0.00 H new ATOM 0 HG LEU A 32 2.849 8.962 32.327 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.470 8.603 32.980 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.585 9.341 31.364 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.225 7.606 31.526 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.260 7.046 33.782 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.017 6.026 32.344 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.638 6.653 32.727 1.00 0.00 H new ATOM 1313 N CYS A 33 4.709 6.250 28.499 1.00 0.00 N ATOM 1314 CA CYS A 33 5.043 5.952 27.078 1.00 0.00 C ATOM 1315 C CYS A 33 3.809 6.227 26.219 1.00 0.00 C ATOM 1316 O CYS A 33 2.820 6.748 26.696 1.00 0.00 O ATOM 1317 CB CYS A 33 5.489 4.493 26.929 1.00 0.00 C ATOM 1318 SG CYS A 33 4.075 3.382 27.110 1.00 0.00 S ATOM 0 H CYS A 33 4.576 5.435 29.098 1.00 0.00 H new ATOM 0 HA CYS A 33 5.866 6.587 26.751 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.953 4.346 25.954 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.243 4.258 27.680 1.00 0.00 H new ATOM 0 HG CYS A 33 4.395 2.397 27.896 1.00 0.00 H new ATOM 1323 N ASN A 34 3.850 5.909 24.955 1.00 0.00 N ATOM 1324 CA ASN A 34 2.669 6.190 24.091 1.00 0.00 C ATOM 1325 C ASN A 34 1.512 5.232 24.400 1.00 0.00 C ATOM 1326 O ASN A 34 0.375 5.643 24.512 1.00 0.00 O ATOM 1327 CB ASN A 34 3.063 6.049 22.620 1.00 0.00 C ATOM 1328 CG ASN A 34 3.374 4.587 22.297 1.00 0.00 C ATOM 1329 OD1 ASN A 34 3.743 3.820 23.163 1.00 0.00 O ATOM 1330 ND2 ASN A 34 3.255 4.171 21.065 1.00 0.00 N ATOM 0 H ASN A 34 4.643 5.471 24.486 1.00 0.00 H new ATOM 0 HA ASN A 34 2.336 7.208 24.294 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.254 6.406 21.983 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.934 6.670 22.408 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.472 3.202 20.831 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.945 4.815 20.337 1.00 0.00 H new ATOM 1337 N ALA A 35 1.779 3.960 24.503 1.00 0.00 N ATOM 1338 CA ALA A 35 0.682 2.983 24.762 1.00 0.00 C ATOM 1339 C ALA A 35 -0.029 3.260 26.096 1.00 0.00 C ATOM 1340 O ALA A 35 -1.241 3.338 26.145 1.00 0.00 O ATOM 1341 CB ALA A 35 1.265 1.570 24.749 1.00 0.00 C ATOM 0 H ALA A 35 2.711 3.553 24.419 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.067 3.085 23.977 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.471 0.847 24.937 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.714 1.371 23.776 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.026 1.483 25.524 1.00 0.00 H new ATOM 1347 N CYS A 36 0.688 3.388 27.182 1.00 0.00 N ATOM 1348 CA CYS A 36 0.001 3.632 28.490 1.00 0.00 C ATOM 1349 C CYS A 36 -0.851 4.897 28.408 1.00 0.00 C ATOM 1350 O CYS A 36 -1.956 4.943 28.908 1.00 0.00 O ATOM 1351 CB CYS A 36 1.023 3.824 29.613 1.00 0.00 C ATOM 1352 SG CYS A 36 1.901 2.277 29.929 1.00 0.00 S ATOM 0 H CYS A 36 1.706 3.335 27.223 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.623 2.764 28.702 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.733 4.604 29.339 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.519 4.156 30.520 1.00 0.00 H new ATOM 0 HG CYS A 36 3.139 2.535 30.231 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.351 5.926 27.787 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.147 7.180 27.692 1.00 0.00 C ATOM 1359 C GLY A 37 -2.455 6.892 26.959 1.00 0.00 C ATOM 1360 O GLY A 37 -3.523 7.268 27.397 1.00 0.00 O ATOM 0 H GLY A 37 0.567 5.954 27.344 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.353 7.570 28.689 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.580 7.945 27.162 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.376 6.222 25.844 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.606 5.902 25.074 1.00 0.00 C ATOM 1366 C LEU A 38 -4.451 4.868 25.825 1.00 0.00 C ATOM 1367 O LEU A 38 -5.628 5.065 26.057 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.188 5.330 23.718 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.394 6.384 22.936 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.718 5.721 21.730 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.328 7.511 22.459 1.00 0.00 C ATOM 0 H LEU A 38 -1.507 5.881 25.432 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.201 6.805 24.942 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.582 4.436 23.861 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.070 5.030 23.151 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.634 6.815 23.588 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.153 6.469 21.173 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.042 4.939 22.076 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.478 5.283 21.082 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.751 8.252 21.906 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.100 7.094 21.812 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.795 7.986 23.322 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.868 3.756 26.187 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.647 2.703 26.901 1.00 0.00 C ATOM 1385 C PHE A 39 -5.096 3.171 28.290 1.00 0.00 C ATOM 1386 O PHE A 39 -6.246 3.031 28.654 1.00 0.00 O ATOM 1387 CB PHE A 39 -3.782 1.446 27.059 1.00 0.00 C ATOM 1388 CG PHE A 39 -4.541 0.431 27.882 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -4.442 0.460 29.277 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.365 -0.514 27.257 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -5.159 -0.457 30.050 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.086 -1.430 28.032 1.00 0.00 C ATOM 1393 CZ PHE A 39 -5.983 -1.401 29.428 1.00 0.00 C ATOM 0 H PHE A 39 -2.887 3.532 26.019 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.535 2.488 26.307 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.537 1.031 26.081 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.839 1.696 27.545 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.810 1.192 29.757 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.444 -0.536 26.180 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.077 -0.437 31.127 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.722 -2.160 27.553 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.540 -2.108 30.025 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.197 3.680 29.087 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.582 4.097 30.467 1.00 0.00 C ATOM 1405 C LEU A 40 -5.665 5.175 30.417 1.00 0.00 C ATOM 1406 O LEU A 40 -6.666 5.094 31.101 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.354 4.650 31.197 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.648 4.781 32.698 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.783 3.390 33.348 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.504 5.555 33.360 1.00 0.00 C ATOM 0 H LEU A 40 -3.217 3.825 28.845 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.970 3.228 30.998 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.501 3.990 31.042 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.084 5.622 30.785 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.589 5.314 32.835 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.991 3.504 34.412 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.600 2.845 32.875 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.854 2.836 33.218 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.702 5.655 34.427 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.568 5.017 33.213 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.427 6.545 32.911 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.463 6.192 29.631 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.470 7.287 29.557 1.00 0.00 C ATOM 1424 C LYS A 41 -7.818 6.733 29.079 1.00 0.00 C ATOM 1425 O LYS A 41 -8.854 7.018 29.647 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.960 8.355 28.579 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.919 9.554 28.504 1.00 0.00 C ATOM 1428 CD LYS A 41 -6.872 10.362 29.806 1.00 0.00 C ATOM 1429 CE LYS A 41 -7.580 11.703 29.599 1.00 0.00 C ATOM 1430 NZ LYS A 41 -6.804 12.533 28.635 1.00 0.00 N ATOM 0 H LYS A 41 -4.644 6.314 29.035 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.612 7.727 30.544 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.973 8.696 28.893 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.845 7.917 27.588 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.647 10.192 27.663 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.935 9.204 28.323 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.353 9.805 30.610 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.838 10.527 30.107 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.590 11.539 29.223 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.676 12.226 30.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.981 13.540 28.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.789 12.334 28.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.099 12.305 27.664 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.818 5.967 28.020 1.00 0.00 N ATOM 1445 CA LEU A 42 -9.101 5.423 27.484 1.00 0.00 C ATOM 1446 C LEU A 42 -9.690 4.341 28.398 1.00 0.00 C ATOM 1447 O LEU A 42 -10.885 4.295 28.614 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.856 4.815 26.102 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.452 5.909 25.107 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -8.013 5.249 23.796 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.632 6.862 24.843 1.00 0.00 C ATOM 0 H LEU A 42 -6.983 5.694 27.502 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.811 6.248 27.427 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.072 4.060 26.162 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.757 4.311 25.753 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.630 6.490 25.525 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.723 6.019 23.080 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.164 4.592 23.986 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.839 4.666 23.388 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.326 7.632 24.134 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.469 6.299 24.429 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.938 7.331 25.778 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.885 3.447 28.909 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.446 2.358 29.763 1.00 0.00 C ATOM 1465 C HIS A 43 -9.682 2.857 31.189 1.00 0.00 C ATOM 1466 O HIS A 43 -10.721 2.610 31.769 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.474 1.176 29.789 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.508 0.470 28.461 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -7.773 0.907 27.371 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.193 -0.640 28.030 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.029 0.072 26.348 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -8.888 -0.889 26.695 1.00 0.00 N ATOM 0 H HIS A 43 -7.874 3.423 28.774 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.401 2.042 29.342 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.464 1.527 30.001 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.746 0.485 30.587 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.151 1.715 27.348 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.866 -1.230 28.635 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.592 0.168 25.365 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.747 3.555 31.768 1.00 0.00 N ATOM 1481 CA GLY A 44 -8.960 4.055 33.154 1.00 0.00 C ATOM 1482 C GLY A 44 -8.941 2.897 34.155 1.00 0.00 C ATOM 1483 O GLY A 44 -9.224 3.087 35.322 1.00 0.00 O ATOM 0 H GLY A 44 -7.851 3.800 31.346 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.183 4.776 33.409 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.914 4.579 33.214 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.623 1.701 33.723 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.603 0.544 34.673 1.00 0.00 C ATOM 1489 C VAL A 45 -7.383 -0.338 34.408 1.00 0.00 C ATOM 1490 O VAL A 45 -6.998 -0.575 33.280 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.877 -0.283 34.500 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -11.076 0.524 35.001 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -10.078 -0.621 33.021 1.00 0.00 C ATOM 0 H VAL A 45 -8.378 1.476 32.759 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.549 0.926 35.692 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.788 -1.206 35.073 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.986 -0.063 34.879 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.938 0.764 36.055 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.159 1.446 34.426 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.987 -1.210 32.903 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.166 0.301 32.446 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.224 -1.194 32.660 1.00 0.00 H new ATOM 1503 N VAL A 46 -6.770 -0.812 35.456 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.562 -1.673 35.308 1.00 0.00 C ATOM 1505 C VAL A 46 -5.889 -2.947 34.527 1.00 0.00 C ATOM 1506 O VAL A 46 -6.951 -3.523 34.657 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.015 -2.048 36.689 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -4.488 -0.793 37.387 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -6.123 -2.677 37.538 1.00 0.00 C ATOM 0 H VAL A 46 -7.057 -0.638 36.419 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.810 -1.109 34.756 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.205 -2.768 36.569 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.099 -1.059 38.370 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.691 -0.351 36.789 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.298 -0.073 37.501 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.725 -2.941 38.518 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.939 -1.964 37.657 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.495 -3.575 37.044 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.956 -3.393 33.732 1.00 0.00 N ATOM 1520 CA ARG A 47 -5.147 -4.642 32.939 1.00 0.00 C ATOM 1521 C ARG A 47 -3.756 -5.261 32.733 1.00 0.00 C ATOM 1522 O ARG A 47 -2.818 -4.538 32.462 1.00 0.00 O ATOM 1523 CB ARG A 47 -5.790 -4.288 31.590 1.00 0.00 C ATOM 1524 CG ARG A 47 -6.210 -5.563 30.843 1.00 0.00 C ATOM 1525 CD ARG A 47 -6.809 -5.205 29.472 1.00 0.00 C ATOM 1526 NE ARG A 47 -7.910 -6.157 29.125 1.00 0.00 N ATOM 1527 CZ ARG A 47 -7.755 -7.452 29.220 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -6.587 -7.966 29.489 1.00 0.00 N ATOM 1529 NH2 ARG A 47 -8.771 -8.240 28.996 1.00 0.00 N ATOM 0 H ARG A 47 -4.054 -2.937 33.596 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.801 -5.349 33.450 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.659 -3.651 31.751 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.086 -3.719 30.983 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.348 -6.216 30.711 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.941 -6.115 31.434 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.192 -4.185 29.490 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.033 -5.241 28.707 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.805 -5.786 28.806 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.781 -7.356 29.628 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.479 -8.978 29.560 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.678 -7.845 28.749 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.658 -9.251 29.068 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.592 -6.560 32.876 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.275 -7.236 32.721 1.00 0.00 C ATOM 1545 C PRO A 48 -1.270 -6.480 31.849 1.00 0.00 C ATOM 1546 O PRO A 48 -1.287 -6.568 30.641 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.679 -8.552 32.071 1.00 0.00 C ATOM 1548 CG PRO A 48 -3.980 -8.902 32.733 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.617 -7.575 33.199 1.00 0.00 C ATOM 0 HA PRO A 48 -1.749 -7.325 33.672 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.796 -8.445 30.993 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.928 -9.325 32.234 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.639 -9.424 32.039 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.816 -9.570 33.579 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.554 -7.377 32.679 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -4.841 -7.592 34.265 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.369 -5.765 32.461 1.00 0.00 N ATOM 1558 CA LEU A 49 0.660 -5.045 31.663 1.00 0.00 C ATOM 1559 C LEU A 49 1.433 -6.100 30.872 1.00 0.00 C ATOM 1560 O LEU A 49 2.183 -5.800 29.964 1.00 0.00 O ATOM 1561 CB LEU A 49 1.607 -4.272 32.588 1.00 0.00 C ATOM 1562 CG LEU A 49 0.866 -3.106 33.258 1.00 0.00 C ATOM 1563 CD1 LEU A 49 1.755 -2.510 34.353 1.00 0.00 C ATOM 1564 CD2 LEU A 49 0.530 -2.011 32.230 1.00 0.00 C ATOM 0 H LEU A 49 -0.300 -5.648 33.472 1.00 0.00 H new ATOM 0 HA LEU A 49 0.194 -4.323 30.992 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.009 -4.941 33.349 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.454 -3.893 32.017 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.063 -3.481 33.686 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.235 -1.681 34.833 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.981 -3.276 35.095 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.683 -2.148 33.911 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.005 -1.195 32.726 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.451 -1.634 31.786 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.105 -2.428 31.448 1.00 0.00 H new ATOM 1576 N SER A 50 1.244 -7.344 31.226 1.00 0.00 N ATOM 1577 CA SER A 50 1.949 -8.450 30.523 1.00 0.00 C ATOM 1578 C SER A 50 1.615 -8.398 29.031 1.00 0.00 C ATOM 1579 O SER A 50 2.182 -9.118 28.235 1.00 0.00 O ATOM 1580 CB SER A 50 1.511 -9.793 31.109 1.00 0.00 C ATOM 1581 OG SER A 50 0.143 -10.022 30.797 1.00 0.00 O ATOM 0 H SER A 50 0.625 -7.641 31.980 1.00 0.00 H new ATOM 0 HA SER A 50 3.025 -8.339 30.655 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.127 -10.597 30.705 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.654 -9.795 32.190 1.00 0.00 H new ATOM 0 HG SER A 50 -0.138 -10.883 31.171 1.00 0.00 H new ATOM 1587 N LEU A 51 0.725 -7.527 28.640 1.00 0.00 N ATOM 1588 CA LEU A 51 0.396 -7.410 27.190 1.00 0.00 C ATOM 1589 C LEU A 51 1.577 -6.720 26.517 1.00 0.00 C ATOM 1590 O LEU A 51 1.940 -7.014 25.396 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.838 -6.528 26.998 1.00 0.00 C ATOM 1592 CG LEU A 51 -2.059 -7.148 27.684 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -3.106 -6.055 27.914 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.667 -8.246 26.804 1.00 0.00 C ATOM 0 H LEU A 51 0.214 -6.895 29.257 1.00 0.00 H new ATOM 0 HA LEU A 51 0.201 -8.397 26.770 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.649 -5.536 27.408 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.038 -6.401 25.934 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.750 -7.586 28.633 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.980 -6.486 28.402 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.684 -5.275 28.547 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.400 -5.625 26.956 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.534 -8.676 27.306 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.975 -7.819 25.850 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.925 -9.025 26.629 1.00 0.00 H new ATOM 1606 N LYS A 52 2.168 -5.789 27.211 1.00 0.00 N ATOM 1607 CA LYS A 52 3.327 -5.042 26.652 1.00 0.00 C ATOM 1608 C LYS A 52 4.330 -5.992 25.994 1.00 0.00 C ATOM 1609 O LYS A 52 4.366 -7.179 26.252 1.00 0.00 O ATOM 1610 CB LYS A 52 4.020 -4.266 27.781 1.00 0.00 C ATOM 1611 CG LYS A 52 5.373 -3.730 27.294 1.00 0.00 C ATOM 1612 CD LYS A 52 5.931 -2.721 28.295 1.00 0.00 C ATOM 1613 CE LYS A 52 7.442 -2.572 28.081 1.00 0.00 C ATOM 1614 NZ LYS A 52 7.717 -2.328 26.635 1.00 0.00 N ATOM 0 H LYS A 52 1.894 -5.511 28.153 1.00 0.00 H new ATOM 0 HA LYS A 52 2.961 -4.352 25.891 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.388 -3.440 28.107 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.166 -4.916 28.644 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.075 -4.554 27.168 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.256 -3.259 26.318 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.438 -1.757 28.169 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.728 -3.052 29.313 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.825 -1.746 28.680 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.958 -3.473 28.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.742 -2.227 26.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.365 -3.130 26.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.236 -1.457 26.332 1.00 0.00 H new ATOM 1628 N THR A 53 5.168 -5.431 25.166 1.00 0.00 N ATOM 1629 CA THR A 53 6.229 -6.215 24.475 1.00 0.00 C ATOM 1630 C THR A 53 7.424 -5.293 24.248 1.00 0.00 C ATOM 1631 O THR A 53 7.322 -4.092 24.408 1.00 0.00 O ATOM 1632 CB THR A 53 5.723 -6.717 23.121 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.820 -7.202 22.361 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.037 -5.576 22.365 1.00 0.00 C ATOM 0 H THR A 53 5.160 -4.438 24.935 1.00 0.00 H new ATOM 0 HA THR A 53 6.508 -7.074 25.085 1.00 0.00 H new ATOM 0 HB THR A 53 5.004 -7.520 23.279 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.499 -7.526 21.494 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.679 -5.941 21.402 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.194 -5.208 22.949 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.749 -4.766 22.205 1.00 0.00 H new ATOM 1642 N ASP A 54 8.550 -5.828 23.870 1.00 0.00 N ATOM 1643 CA ASP A 54 9.746 -4.964 23.629 1.00 0.00 C ATOM 1644 C ASP A 54 9.854 -4.697 22.128 1.00 0.00 C ATOM 1645 O ASP A 54 10.825 -4.144 21.651 1.00 0.00 O ATOM 1646 CB ASP A 54 11.007 -5.690 24.103 1.00 0.00 C ATOM 1647 CG ASP A 54 11.006 -5.775 25.630 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.250 -5.040 26.244 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.754 -6.579 26.159 1.00 0.00 O ATOM 0 H ASP A 54 8.697 -6.826 23.717 1.00 0.00 H new ATOM 0 HA ASP A 54 9.645 -4.026 24.175 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.046 -6.691 23.673 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.895 -5.160 23.759 1.00 0.00 H new ATOM 1654 N VAL A 55 8.853 -5.095 21.385 1.00 0.00 N ATOM 1655 CA VAL A 55 8.852 -4.887 19.905 1.00 0.00 C ATOM 1656 C VAL A 55 7.627 -4.055 19.523 1.00 0.00 C ATOM 1657 O VAL A 55 6.543 -4.266 20.030 1.00 0.00 O ATOM 1658 CB VAL A 55 8.786 -6.250 19.213 1.00 0.00 C ATOM 1659 CG1 VAL A 55 9.027 -6.079 17.712 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.860 -7.165 19.803 1.00 0.00 C ATOM 0 H VAL A 55 8.022 -5.563 21.748 1.00 0.00 H new ATOM 0 HA VAL A 55 9.758 -4.365 19.596 1.00 0.00 H new ATOM 0 HB VAL A 55 7.801 -6.691 19.369 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.979 -7.052 17.223 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.263 -5.424 17.293 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.011 -5.639 17.549 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.818 -8.138 19.314 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.843 -6.721 19.645 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.686 -7.289 20.872 1.00 0.00 H new ATOM 1670 N ILE A 56 7.794 -3.110 18.632 1.00 0.00 N ATOM 1671 CA ILE A 56 6.652 -2.246 18.199 1.00 0.00 C ATOM 1672 C ILE A 56 6.390 -2.460 16.708 1.00 0.00 C ATOM 1673 O ILE A 56 7.296 -2.456 15.898 1.00 0.00 O ATOM 1674 CB ILE A 56 6.997 -0.779 18.463 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.252 -0.589 19.960 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.822 0.103 18.035 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.839 0.802 20.210 1.00 0.00 C ATOM 0 H ILE A 56 8.684 -2.898 18.181 1.00 0.00 H new ATOM 0 HA ILE A 56 5.756 -2.510 18.761 1.00 0.00 H new ATOM 0 HB ILE A 56 7.886 -0.501 17.897 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.321 -0.707 20.515 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.938 -1.355 20.322 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.065 1.149 18.222 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.628 -0.040 16.972 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.935 -0.171 18.606 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.019 0.934 21.277 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.779 0.903 19.668 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.137 1.561 19.864 1.00 0.00 H new ATOM 1689 N LYS A 57 5.152 -2.664 16.343 1.00 0.00 N ATOM 1690 CA LYS A 57 4.817 -2.898 14.909 1.00 0.00 C ATOM 1691 C LYS A 57 4.733 -1.566 14.161 1.00 0.00 C ATOM 1692 O LYS A 57 4.089 -0.631 14.592 1.00 0.00 O ATOM 1693 CB LYS A 57 3.472 -3.619 14.819 1.00 0.00 C ATOM 1694 CG LYS A 57 3.124 -3.861 13.349 1.00 0.00 C ATOM 1695 CD LYS A 57 1.946 -4.835 13.244 1.00 0.00 C ATOM 1696 CE LYS A 57 0.712 -4.244 13.930 1.00 0.00 C ATOM 1697 NZ LYS A 57 -0.500 -4.995 13.496 1.00 0.00 N ATOM 0 H LYS A 57 4.355 -2.679 16.980 1.00 0.00 H new ATOM 0 HA LYS A 57 5.597 -3.509 14.454 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.519 -4.567 15.354 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.694 -3.022 15.295 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.870 -2.917 12.866 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.989 -4.265 12.824 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.726 -5.040 12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.208 -5.786 13.707 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.821 -4.302 15.013 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.611 -3.189 13.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.341 -4.596 13.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.605 -4.918 12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.401 -5.996 13.760 1.00 0.00 H new ATOM 1711 N LYS A 58 5.388 -1.484 13.034 1.00 0.00 N ATOM 1712 CA LYS A 58 5.367 -0.229 12.232 1.00 0.00 C ATOM 1713 C LYS A 58 4.159 -0.230 11.295 1.00 0.00 C ATOM 1714 O LYS A 58 3.948 -1.164 10.546 1.00 0.00 O ATOM 1715 CB LYS A 58 6.642 -0.155 11.395 1.00 0.00 C ATOM 1716 CG LYS A 58 7.841 0.037 12.320 1.00 0.00 C ATOM 1717 CD LYS A 58 9.120 0.112 11.486 1.00 0.00 C ATOM 1718 CE LYS A 58 10.314 0.302 12.418 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.237 1.656 13.035 1.00 0.00 N ATOM 0 H LYS A 58 5.941 -2.241 12.632 1.00 0.00 H new ATOM 0 HA LYS A 58 5.303 0.628 12.903 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.761 -1.068 10.811 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.578 0.671 10.687 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.721 0.949 12.904 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.904 -0.789 13.028 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.241 -0.800 10.901 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.060 0.939 10.779 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.313 -0.465 13.192 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.246 0.194 11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.168 1.916 13.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.952 2.350 12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.537 1.648 13.804 1.00 0.00 H new ATOM 1733 N ARG A 59 3.365 0.807 11.330 1.00 0.00 N ATOM 1734 CA ARG A 59 2.165 0.873 10.444 1.00 0.00 C ATOM 1735 C ARG A 59 2.480 1.760 9.238 1.00 0.00 C ATOM 1736 O ARG A 59 3.580 2.252 9.087 1.00 0.00 O ATOM 1737 CB ARG A 59 0.987 1.462 11.230 1.00 0.00 C ATOM 1738 CG ARG A 59 0.503 0.463 12.305 1.00 0.00 C ATOM 1739 CD ARG A 59 -0.742 -0.297 11.823 1.00 0.00 C ATOM 1740 NE ARG A 59 -0.428 -1.081 10.595 1.00 0.00 N ATOM 1741 CZ ARG A 59 -1.238 -2.025 10.203 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -2.309 -2.293 10.899 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -0.978 -2.702 9.119 1.00 0.00 N ATOM 0 H ARG A 59 3.496 1.616 11.937 1.00 0.00 H new ATOM 0 HA ARG A 59 1.902 -0.127 10.099 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.288 2.397 11.703 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.169 1.698 10.549 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.300 -0.244 12.535 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.274 0.997 13.227 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.095 -0.965 12.609 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.548 0.407 11.617 1.00 0.00 H new ATOM 0 HE ARG A 59 0.418 -0.880 10.062 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.511 -1.765 11.748 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.944 -3.031 10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.140 -2.494 8.576 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.613 -3.440 8.814 1.00 0.00 H new ATOM 1757 N ASN A 60 1.536 1.931 8.355 1.00 0.00 N ATOM 1758 CA ASN A 60 1.792 2.743 7.133 1.00 0.00 C ATOM 1759 C ASN A 60 1.845 4.235 7.468 1.00 0.00 C ATOM 1760 O ASN A 60 1.805 4.635 8.615 1.00 0.00 O ATOM 1761 CB ASN A 60 0.668 2.492 6.123 1.00 0.00 C ATOM 1762 CG ASN A 60 -0.642 3.074 6.661 1.00 0.00 C ATOM 1763 OD1 ASN A 60 -0.866 3.090 7.856 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -1.518 3.560 5.826 1.00 0.00 N ATOM 0 H ASN A 60 0.596 1.542 8.427 1.00 0.00 H new ATOM 0 HA ASN A 60 2.754 2.449 6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.916 2.951 5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.557 1.422 5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.392 3.954 6.175 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.329 3.546 4.824 1.00 0.00 H new