USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 407 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 CYS SG : rot 162:sc= 1.3 USER MOD Set 1.2: A 15 CYS SG : rot -61:sc= 0.167! USER MOD Set 1.3: A 17 THR OG1 : rot 92:sc= -0.239! USER MOD Set 1.4: A 33 CYS SG : rot -133:sc= 1.11 USER MOD Set 1.5: A 36 CYS SG : rot 144:sc= -2.57! USER MOD Set 2.1: A 20 THR OG1 : rot -74:sc= 0.555 USER MOD Set 2.2: A 34 ASN : amide:sc= -7.92! C(o=-7.4!,f=-19!) USER MOD Set 3.1: A 13 THR OG1 : rot -77:sc= 0.159 USER MOD Set 3.2: A 14 ASN : amide:sc= -5.2! C(o=-5!,f=-4.7!) USER MOD Single : A 11 THR OG1 : rot 26:sc= 0.151 USER MOD Single : A 18 GLN : amide:sc= -1.42! K(o=-1.4!,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -7.71! K(o=-7.7!,f=-1.9) USER MOD Single : A 30 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.68) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= -0.118 (180deg=-0.968) USER MOD Single : A 43 HIS : no HE2:sc= -9.71! C(o=-9.7!,f=-13!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 140:sc= -0.74 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= -0.0553 K(o=-0.055,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 970 N THR A 11 12.036 6.843 31.448 1.00 0.00 N ATOM 971 CA THR A 11 11.482 5.453 31.529 1.00 0.00 C ATOM 972 C THR A 11 9.967 5.508 31.752 1.00 0.00 C ATOM 973 O THR A 11 9.476 6.303 32.528 1.00 0.00 O ATOM 974 CB THR A 11 12.152 4.722 32.697 1.00 0.00 C ATOM 975 OG1 THR A 11 13.561 4.740 32.516 1.00 0.00 O ATOM 976 CG2 THR A 11 11.666 3.273 32.750 1.00 0.00 C ATOM 0 HA THR A 11 11.680 4.922 30.598 1.00 0.00 H new ATOM 0 HB THR A 11 11.894 5.222 33.631 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.810 5.513 31.967 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.146 2.758 33.582 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.585 3.257 32.888 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.920 2.770 31.817 1.00 0.00 H new ATOM 984 N CYS A 12 9.220 4.664 31.087 1.00 0.00 N ATOM 985 CA CYS A 12 7.742 4.677 31.292 1.00 0.00 C ATOM 986 C CYS A 12 7.449 4.133 32.686 1.00 0.00 C ATOM 987 O CYS A 12 7.635 2.966 32.966 1.00 0.00 O ATOM 988 CB CYS A 12 7.034 3.810 30.252 1.00 0.00 C ATOM 989 SG CYS A 12 5.250 4.116 30.346 1.00 0.00 S ATOM 0 H CYS A 12 9.565 3.975 30.419 1.00 0.00 H new ATOM 0 HA CYS A 12 7.375 5.698 31.187 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.404 4.042 29.253 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.245 2.756 30.433 1.00 0.00 H new ATOM 0 HG CYS A 12 4.681 3.708 29.250 1.00 0.00 H new ATOM 994 N THR A 13 7.006 4.981 33.563 1.00 0.00 N ATOM 995 CA THR A 13 6.722 4.549 34.956 1.00 0.00 C ATOM 996 C THR A 13 5.601 3.511 35.001 1.00 0.00 C ATOM 997 O THR A 13 5.364 2.911 36.030 1.00 0.00 O ATOM 998 CB THR A 13 6.305 5.769 35.774 1.00 0.00 C ATOM 999 OG1 THR A 13 5.117 6.320 35.223 1.00 0.00 O ATOM 1000 CG2 THR A 13 7.423 6.810 35.726 1.00 0.00 C ATOM 0 H THR A 13 6.826 5.967 33.374 1.00 0.00 H new ATOM 0 HA THR A 13 7.623 4.095 35.368 1.00 0.00 H new ATOM 0 HB THR A 13 6.123 5.477 36.808 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.336 6.822 34.411 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.132 7.684 36.308 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.335 6.384 36.143 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.601 7.106 34.692 1.00 0.00 H new ATOM 1008 N ASN A 14 4.894 3.292 33.919 1.00 0.00 N ATOM 1009 CA ASN A 14 3.782 2.292 33.949 1.00 0.00 C ATOM 1010 C ASN A 14 4.204 0.971 33.305 1.00 0.00 C ATOM 1011 O ASN A 14 3.704 -0.070 33.675 1.00 0.00 O ATOM 1012 CB ASN A 14 2.574 2.841 33.187 1.00 0.00 C ATOM 1013 CG ASN A 14 1.948 3.991 33.979 1.00 0.00 C ATOM 1014 OD1 ASN A 14 1.015 4.621 33.522 1.00 0.00 O ATOM 1015 ND2 ASN A 14 2.423 4.290 35.157 1.00 0.00 N ATOM 0 H ASN A 14 5.037 3.758 33.023 1.00 0.00 H new ATOM 0 HA ASN A 14 3.526 2.110 34.993 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.881 3.190 32.201 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.839 2.051 33.031 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.011 5.053 35.694 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.206 3.761 35.540 1.00 0.00 H new ATOM 1022 N CYS A 15 5.083 0.986 32.329 1.00 0.00 N ATOM 1023 CA CYS A 15 5.469 -0.303 31.665 1.00 0.00 C ATOM 1024 C CYS A 15 6.977 -0.365 31.388 1.00 0.00 C ATOM 1025 O CYS A 15 7.440 -1.247 30.693 1.00 0.00 O ATOM 1026 CB CYS A 15 4.682 -0.438 30.359 1.00 0.00 C ATOM 1027 SG CYS A 15 5.410 0.615 29.081 1.00 0.00 S ATOM 0 H CYS A 15 5.544 1.821 31.967 1.00 0.00 H new ATOM 0 HA CYS A 15 5.230 -1.130 32.334 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.685 -1.477 30.030 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.641 -0.158 30.522 1.00 0.00 H new ATOM 0 HG CYS A 15 5.360 1.857 29.462 1.00 0.00 H new ATOM 1032 N PHE A 16 7.747 0.537 31.937 1.00 0.00 N ATOM 1033 CA PHE A 16 9.228 0.509 31.730 1.00 0.00 C ATOM 1034 C PHE A 16 9.597 0.557 30.244 1.00 0.00 C ATOM 1035 O PHE A 16 10.759 0.478 29.898 1.00 0.00 O ATOM 1036 CB PHE A 16 9.825 -0.755 32.360 1.00 0.00 C ATOM 1037 CG PHE A 16 9.715 -0.681 33.866 1.00 0.00 C ATOM 1038 CD1 PHE A 16 8.574 -1.176 34.511 1.00 0.00 C ATOM 1039 CD2 PHE A 16 10.758 -0.129 34.620 1.00 0.00 C ATOM 1040 CE1 PHE A 16 8.476 -1.117 35.906 1.00 0.00 C ATOM 1041 CE2 PHE A 16 10.659 -0.068 36.015 1.00 0.00 C ATOM 1042 CZ PHE A 16 9.518 -0.562 36.659 1.00 0.00 C ATOM 0 H PHE A 16 7.412 1.300 32.526 1.00 0.00 H new ATOM 0 HA PHE A 16 9.640 1.396 32.212 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.302 -1.637 31.991 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.870 -0.859 32.068 1.00 0.00 H new ATOM 0 HD1 PHE A 16 7.769 -1.604 33.931 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.640 0.250 34.125 1.00 0.00 H new ATOM 0 HE1 PHE A 16 7.596 -1.500 36.402 1.00 0.00 H new ATOM 0 HE2 PHE A 16 11.463 0.360 36.595 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.442 -0.515 37.735 1.00 0.00 H new ATOM 1052 N THR A 17 8.650 0.669 29.353 1.00 0.00 N ATOM 1053 CA THR A 17 9.021 0.698 27.908 1.00 0.00 C ATOM 1054 C THR A 17 10.006 1.845 27.670 1.00 0.00 C ATOM 1055 O THR A 17 9.731 2.981 27.987 1.00 0.00 O ATOM 1056 CB THR A 17 7.767 0.926 27.057 1.00 0.00 C ATOM 1057 OG1 THR A 17 6.954 -0.239 27.084 1.00 0.00 O ATOM 1058 CG2 THR A 17 8.167 1.242 25.614 1.00 0.00 C ATOM 0 H THR A 17 7.653 0.741 29.556 1.00 0.00 H new ATOM 0 HA THR A 17 9.478 -0.251 27.630 1.00 0.00 H new ATOM 0 HB THR A 17 7.207 1.768 27.464 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.306 -0.169 27.815 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.271 1.403 25.015 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.782 2.142 25.596 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.734 0.407 25.202 1.00 0.00 H new ATOM 1066 N GLN A 18 11.150 1.543 27.116 1.00 0.00 N ATOM 1067 CA GLN A 18 12.176 2.596 26.850 1.00 0.00 C ATOM 1068 C GLN A 18 12.093 3.026 25.385 1.00 0.00 C ATOM 1069 O GLN A 18 12.724 3.980 24.969 1.00 0.00 O ATOM 1070 CB GLN A 18 13.561 2.013 27.121 1.00 0.00 C ATOM 1071 CG GLN A 18 13.724 1.774 28.622 1.00 0.00 C ATOM 1072 CD GLN A 18 15.110 1.189 28.890 1.00 0.00 C ATOM 1073 OE1 GLN A 18 15.576 1.182 30.011 1.00 0.00 O ATOM 1074 NE2 GLN A 18 15.792 0.692 27.895 1.00 0.00 N ATOM 0 H GLN A 18 11.421 0.601 26.833 1.00 0.00 H new ATOM 0 HA GLN A 18 11.998 3.457 27.494 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.687 1.077 26.576 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.332 2.696 26.764 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.599 2.710 29.167 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.953 1.092 28.980 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.399 0.699 26.954 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.718 0.297 28.058 1.00 0.00 H new ATOM 1083 N THR A 19 11.318 2.323 24.600 1.00 0.00 N ATOM 1084 CA THR A 19 11.173 2.662 23.152 1.00 0.00 C ATOM 1085 C THR A 19 9.706 3.014 22.893 1.00 0.00 C ATOM 1086 O THR A 19 8.813 2.276 23.256 1.00 0.00 O ATOM 1087 CB THR A 19 11.566 1.434 22.318 1.00 0.00 C ATOM 1088 OG1 THR A 19 12.907 1.074 22.617 1.00 0.00 O ATOM 1089 CG2 THR A 19 11.456 1.757 20.827 1.00 0.00 C ATOM 0 H THR A 19 10.772 1.517 24.905 1.00 0.00 H new ATOM 0 HA THR A 19 11.812 3.503 22.881 1.00 0.00 H new ATOM 0 HB THR A 19 10.895 0.609 22.559 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.161 0.289 22.088 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.737 0.880 20.243 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.430 2.037 20.590 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.123 2.584 20.584 1.00 0.00 H new ATOM 1097 N THR A 20 9.437 4.138 22.283 1.00 0.00 N ATOM 1098 CA THR A 20 8.014 4.512 22.038 1.00 0.00 C ATOM 1099 C THR A 20 7.937 5.620 20.976 1.00 0.00 C ATOM 1100 O THR A 20 8.757 6.515 20.969 1.00 0.00 O ATOM 1101 CB THR A 20 7.411 5.028 23.349 1.00 0.00 C ATOM 1102 OG1 THR A 20 6.018 5.250 23.178 1.00 0.00 O ATOM 1103 CG2 THR A 20 8.092 6.338 23.757 1.00 0.00 C ATOM 0 H THR A 20 10.131 4.806 21.948 1.00 0.00 H new ATOM 0 HA THR A 20 7.463 3.641 21.683 1.00 0.00 H new ATOM 0 HB THR A 20 7.568 4.285 24.131 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.879 6.058 22.641 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.658 6.699 24.690 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.159 6.165 23.896 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.944 7.084 22.976 1.00 0.00 H new ATOM 1111 N PRO A 21 6.964 5.588 20.090 1.00 0.00 N ATOM 1112 CA PRO A 21 6.824 6.638 19.042 1.00 0.00 C ATOM 1113 C PRO A 21 7.022 8.040 19.621 1.00 0.00 C ATOM 1114 O PRO A 21 7.614 8.906 19.009 1.00 0.00 O ATOM 1115 CB PRO A 21 5.385 6.473 18.539 1.00 0.00 C ATOM 1116 CG PRO A 21 5.020 5.050 18.820 1.00 0.00 C ATOM 1117 CD PRO A 21 5.902 4.569 19.982 1.00 0.00 C ATOM 0 HA PRO A 21 7.570 6.529 18.255 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.710 7.159 19.051 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.315 6.692 17.474 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.965 4.969 19.080 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.179 4.432 17.937 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.331 4.492 20.907 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.319 3.582 19.781 1.00 0.00 H new ATOM 1125 N VAL A 22 6.518 8.259 20.803 1.00 0.00 N ATOM 1126 CA VAL A 22 6.658 9.597 21.444 1.00 0.00 C ATOM 1127 C VAL A 22 6.327 9.479 22.935 1.00 0.00 C ATOM 1128 O VAL A 22 5.619 8.586 23.356 1.00 0.00 O ATOM 1129 CB VAL A 22 5.710 10.599 20.773 1.00 0.00 C ATOM 1130 CG1 VAL A 22 4.278 10.060 20.784 1.00 0.00 C ATOM 1131 CG2 VAL A 22 5.758 11.927 21.533 1.00 0.00 C ATOM 0 H VAL A 22 6.013 7.566 21.355 1.00 0.00 H new ATOM 0 HA VAL A 22 7.682 9.952 21.327 1.00 0.00 H new ATOM 0 HB VAL A 22 6.024 10.750 19.740 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.615 10.780 20.305 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.241 9.115 20.241 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.957 9.900 21.813 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.085 12.642 21.059 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.448 11.767 22.566 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.775 12.319 21.516 1.00 0.00 H new ATOM 1141 N TRP A 23 6.856 10.362 23.737 1.00 0.00 N ATOM 1142 CA TRP A 23 6.601 10.290 25.209 1.00 0.00 C ATOM 1143 C TRP A 23 5.364 11.104 25.589 1.00 0.00 C ATOM 1144 O TRP A 23 5.201 12.244 25.201 1.00 0.00 O ATOM 1145 CB TRP A 23 7.818 10.827 25.958 1.00 0.00 C ATOM 1146 CG TRP A 23 8.946 9.867 25.778 1.00 0.00 C ATOM 1147 CD1 TRP A 23 9.980 10.037 24.925 1.00 0.00 C ATOM 1148 CD2 TRP A 23 9.158 8.583 26.430 1.00 0.00 C ATOM 1149 NE1 TRP A 23 10.820 8.944 25.020 1.00 0.00 N ATOM 1150 CE2 TRP A 23 10.357 8.021 25.933 1.00 0.00 C ATOM 1151 CE3 TRP A 23 8.435 7.862 27.397 1.00 0.00 C ATOM 1152 CZ2 TRP A 23 10.822 6.785 26.379 1.00 0.00 C ATOM 1153 CZ3 TRP A 23 8.901 6.619 27.847 1.00 0.00 C ATOM 1154 CH2 TRP A 23 10.090 6.084 27.339 1.00 0.00 C ATOM 0 H TRP A 23 7.455 11.132 23.439 1.00 0.00 H new ATOM 0 HA TRP A 23 6.424 9.250 25.482 1.00 0.00 H new ATOM 0 HB2 TRP A 23 8.093 11.811 25.578 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.588 10.948 27.017 1.00 0.00 H new ATOM 0 HD1 TRP A 23 10.126 10.888 24.276 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.678 8.834 24.480 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.517 8.268 27.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 11.740 6.374 25.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 8.340 6.071 28.590 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.443 5.126 27.691 1.00 0.00 H new ATOM 1165 N ARG A 24 4.494 10.508 26.361 1.00 0.00 N ATOM 1166 CA ARG A 24 3.250 11.203 26.806 1.00 0.00 C ATOM 1167 C ARG A 24 3.470 11.781 28.205 1.00 0.00 C ATOM 1168 O ARG A 24 4.393 11.413 28.903 1.00 0.00 O ATOM 1169 CB ARG A 24 2.103 10.186 26.877 1.00 0.00 C ATOM 1170 CG ARG A 24 1.681 9.728 25.471 1.00 0.00 C ATOM 1171 CD ARG A 24 0.665 10.705 24.862 1.00 0.00 C ATOM 1172 NE ARG A 24 0.338 10.284 23.468 1.00 0.00 N ATOM 1173 CZ ARG A 24 -0.752 10.716 22.885 1.00 0.00 C ATOM 1174 NH1 ARG A 24 -1.602 11.457 23.543 1.00 0.00 N ATOM 1175 NH2 ARG A 24 -1.002 10.390 21.643 1.00 0.00 N ATOM 0 H ARG A 24 4.595 9.554 26.707 1.00 0.00 H new ATOM 0 HA ARG A 24 3.006 11.999 26.103 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.414 9.323 27.466 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.250 10.631 27.389 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.558 9.660 24.827 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.246 8.730 25.524 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.241 10.728 25.468 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.073 11.716 24.861 1.00 0.00 H new ATOM 0 HE ARG A 24 0.967 9.656 22.967 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.419 11.702 24.516 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.450 11.791 23.084 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.348 9.800 21.129 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.851 10.726 21.188 1.00 0.00 H new ATOM 1189 N ARG A 25 2.618 12.678 28.619 1.00 0.00 N ATOM 1190 CA ARG A 25 2.747 13.284 29.977 1.00 0.00 C ATOM 1191 C ARG A 25 1.350 13.368 30.596 1.00 0.00 C ATOM 1192 O ARG A 25 0.353 13.275 29.908 1.00 0.00 O ATOM 1193 CB ARG A 25 3.369 14.680 29.869 1.00 0.00 C ATOM 1194 CG ARG A 25 4.837 14.543 29.452 1.00 0.00 C ATOM 1195 CD ARG A 25 5.528 15.908 29.534 1.00 0.00 C ATOM 1196 NE ARG A 25 6.796 15.898 28.734 1.00 0.00 N ATOM 1197 CZ ARG A 25 7.741 15.016 28.938 1.00 0.00 C ATOM 1198 NH1 ARG A 25 7.679 14.194 29.948 1.00 0.00 N ATOM 1199 NH2 ARG A 25 8.784 14.993 28.152 1.00 0.00 N ATOM 0 H ARG A 25 1.830 13.021 28.070 1.00 0.00 H new ATOM 0 HA ARG A 25 3.395 12.673 30.605 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.825 15.279 29.139 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.296 15.199 30.825 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.344 13.829 30.101 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.901 14.153 28.436 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.860 16.684 29.160 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.748 16.150 30.574 1.00 0.00 H new ATOM 0 HE ARG A 25 6.926 16.602 28.007 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.887 14.234 30.590 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.422 13.511 30.096 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.859 15.660 27.384 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.524 14.308 28.306 1.00 0.00 H new ATOM 1213 N ASN A 26 1.271 13.514 31.893 1.00 0.00 N ATOM 1214 CA ASN A 26 -0.057 13.571 32.579 1.00 0.00 C ATOM 1215 C ASN A 26 -0.040 14.713 33.609 1.00 0.00 C ATOM 1216 O ASN A 26 0.993 14.986 34.178 1.00 0.00 O ATOM 1217 CB ASN A 26 -0.262 12.230 33.295 1.00 0.00 C ATOM 1218 CG ASN A 26 -1.447 12.311 34.258 1.00 0.00 C ATOM 1219 OD1 ASN A 26 -2.547 11.920 33.920 1.00 0.00 O ATOM 1220 ND2 ASN A 26 -1.269 12.810 35.450 1.00 0.00 N ATOM 0 H ASN A 26 2.077 13.597 32.513 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.862 13.750 31.866 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.435 11.443 32.562 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.641 11.962 33.843 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.053 12.872 36.099 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.346 13.138 35.733 1.00 0.00 H new ATOM 1227 N PRO A 27 -1.153 15.379 33.861 1.00 0.00 N ATOM 1228 CA PRO A 27 -1.224 16.491 34.867 1.00 0.00 C ATOM 1229 C PRO A 27 -0.472 16.214 36.181 1.00 0.00 C ATOM 1230 O PRO A 27 -0.414 17.060 37.051 1.00 0.00 O ATOM 1231 CB PRO A 27 -2.724 16.615 35.125 1.00 0.00 C ATOM 1232 CG PRO A 27 -3.333 16.306 33.803 1.00 0.00 C ATOM 1233 CD PRO A 27 -2.471 15.189 33.208 1.00 0.00 C ATOM 0 HA PRO A 27 -0.744 17.393 34.488 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.058 15.917 35.893 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.991 17.615 35.465 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.369 15.986 33.913 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.338 17.185 33.158 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.887 14.204 33.423 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.397 15.274 32.124 1.00 0.00 H new ATOM 1241 N GLU A 28 0.133 15.064 36.323 1.00 0.00 N ATOM 1242 CA GLU A 28 0.919 14.754 37.556 1.00 0.00 C ATOM 1243 C GLU A 28 2.406 14.937 37.229 1.00 0.00 C ATOM 1244 O GLU A 28 3.237 15.099 38.099 1.00 0.00 O ATOM 1245 CB GLU A 28 0.648 13.308 37.976 1.00 0.00 C ATOM 1246 CG GLU A 28 -0.779 13.191 38.517 1.00 0.00 C ATOM 1247 CD GLU A 28 -0.858 13.829 39.906 1.00 0.00 C ATOM 1248 OE1 GLU A 28 0.138 13.794 40.610 1.00 0.00 O ATOM 1249 OE2 GLU A 28 -1.914 14.338 40.244 1.00 0.00 O ATOM 0 H GLU A 28 0.116 14.317 35.629 1.00 0.00 H new ATOM 0 HA GLU A 28 0.633 15.416 38.373 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.781 12.640 37.125 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.363 13.000 38.738 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.477 13.684 37.840 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.073 12.143 38.570 1.00 0.00 H new ATOM 1256 N GLY A 29 2.730 14.907 35.963 1.00 0.00 N ATOM 1257 CA GLY A 29 4.146 15.076 35.522 1.00 0.00 C ATOM 1258 C GLY A 29 4.875 13.731 35.521 1.00 0.00 C ATOM 1259 O GLY A 29 6.087 13.681 35.496 1.00 0.00 O ATOM 0 H GLY A 29 2.062 14.770 35.204 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.172 15.510 34.523 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.658 15.773 36.185 1.00 0.00 H new ATOM 1263 N GLN A 30 4.157 12.636 35.533 1.00 0.00 N ATOM 1264 CA GLN A 30 4.833 11.303 35.515 1.00 0.00 C ATOM 1265 C GLN A 30 5.029 10.856 34.054 1.00 0.00 C ATOM 1266 O GLN A 30 4.060 10.685 33.342 1.00 0.00 O ATOM 1267 CB GLN A 30 3.960 10.277 36.249 1.00 0.00 C ATOM 1268 CG GLN A 30 2.577 10.174 35.592 1.00 0.00 C ATOM 1269 CD GLN A 30 1.560 9.663 36.618 1.00 0.00 C ATOM 1270 OE1 GLN A 30 1.519 10.139 37.735 1.00 0.00 O ATOM 1271 NE2 GLN A 30 0.735 8.707 36.287 1.00 0.00 N ATOM 0 H GLN A 30 3.138 12.607 35.554 1.00 0.00 H new ATOM 0 HA GLN A 30 5.801 11.376 36.011 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.448 9.302 36.237 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.851 10.566 37.294 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.269 11.149 35.213 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.618 9.499 34.737 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.768 8.306 35.350 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.057 8.361 36.966 1.00 0.00 H new ATOM 1280 N PRO A 31 6.244 10.651 33.584 1.00 0.00 N ATOM 1281 CA PRO A 31 6.473 10.204 32.173 1.00 0.00 C ATOM 1282 C PRO A 31 5.728 8.906 31.824 1.00 0.00 C ATOM 1283 O PRO A 31 5.694 7.964 32.589 1.00 0.00 O ATOM 1284 CB PRO A 31 7.990 9.969 32.098 1.00 0.00 C ATOM 1285 CG PRO A 31 8.570 10.810 33.184 1.00 0.00 C ATOM 1286 CD PRO A 31 7.523 10.844 34.299 1.00 0.00 C ATOM 0 HA PRO A 31 6.102 10.946 31.466 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.233 8.916 32.243 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.385 10.256 31.124 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.509 10.389 33.544 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.789 11.815 32.824 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.694 10.057 35.033 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.542 11.792 34.837 1.00 0.00 H new ATOM 1294 N LEU A 32 5.143 8.868 30.655 1.00 0.00 N ATOM 1295 CA LEU A 32 4.400 7.649 30.201 1.00 0.00 C ATOM 1296 C LEU A 32 4.662 7.438 28.706 1.00 0.00 C ATOM 1297 O LEU A 32 4.827 8.384 27.962 1.00 0.00 O ATOM 1298 CB LEU A 32 2.895 7.839 30.424 1.00 0.00 C ATOM 1299 CG LEU A 32 2.578 7.982 31.919 1.00 0.00 C ATOM 1300 CD1 LEU A 32 1.118 8.412 32.078 1.00 0.00 C ATOM 1301 CD2 LEU A 32 2.800 6.648 32.648 1.00 0.00 C ATOM 0 H LEU A 32 5.147 9.638 29.986 1.00 0.00 H new ATOM 0 HA LEU A 32 4.740 6.784 30.771 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.553 8.725 29.889 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.352 6.988 30.012 1.00 0.00 H new ATOM 0 HG LEU A 32 3.241 8.730 32.354 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.883 8.516 33.137 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.963 9.367 31.576 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.467 7.659 31.634 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.570 6.769 33.707 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.148 5.887 32.220 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.840 6.340 32.535 1.00 0.00 H new ATOM 1313 N CYS A 33 4.686 6.212 28.249 1.00 0.00 N ATOM 1314 CA CYS A 33 4.918 5.962 26.798 1.00 0.00 C ATOM 1315 C CYS A 33 3.618 6.198 26.022 1.00 0.00 C ATOM 1316 O CYS A 33 2.634 6.659 26.567 1.00 0.00 O ATOM 1317 CB CYS A 33 5.409 4.526 26.582 1.00 0.00 C ATOM 1318 SG CYS A 33 4.057 3.354 26.858 1.00 0.00 S ATOM 0 H CYS A 33 4.555 5.376 28.818 1.00 0.00 H new ATOM 0 HA CYS A 33 5.682 6.649 26.434 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.795 4.415 25.569 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.232 4.309 27.263 1.00 0.00 H new ATOM 0 HG CYS A 33 4.471 2.385 27.620 1.00 0.00 H new ATOM 1323 N ASN A 34 3.608 5.892 24.752 1.00 0.00 N ATOM 1324 CA ASN A 34 2.377 6.108 23.934 1.00 0.00 C ATOM 1325 C ASN A 34 1.257 5.142 24.350 1.00 0.00 C ATOM 1326 O ASN A 34 0.127 5.544 24.544 1.00 0.00 O ATOM 1327 CB ASN A 34 2.716 5.877 22.449 1.00 0.00 C ATOM 1328 CG ASN A 34 3.176 7.183 21.797 1.00 0.00 C ATOM 1329 OD1 ASN A 34 4.349 7.375 21.546 1.00 0.00 O ATOM 1330 ND2 ASN A 34 2.285 8.093 21.509 1.00 0.00 N ATOM 0 H ASN A 34 4.401 5.501 24.244 1.00 0.00 H new ATOM 0 HA ASN A 34 2.029 7.128 24.095 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.499 5.124 22.361 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.842 5.490 21.926 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.573 8.968 21.072 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.301 7.928 21.721 1.00 0.00 H new ATOM 1337 N ALA A 35 1.542 3.872 24.438 1.00 0.00 N ATOM 1338 CA ALA A 35 0.468 2.896 24.784 1.00 0.00 C ATOM 1339 C ALA A 35 -0.157 3.198 26.155 1.00 0.00 C ATOM 1340 O ALA A 35 -1.357 3.356 26.266 1.00 0.00 O ATOM 1341 CB ALA A 35 1.051 1.483 24.781 1.00 0.00 C ATOM 0 H ALA A 35 2.466 3.469 24.286 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.321 2.980 24.036 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.269 0.766 25.033 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.447 1.255 23.791 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.853 1.419 25.516 1.00 0.00 H new ATOM 1347 N CYS A 36 0.626 3.268 27.203 1.00 0.00 N ATOM 1348 CA CYS A 36 0.037 3.538 28.552 1.00 0.00 C ATOM 1349 C CYS A 36 -0.779 4.831 28.527 1.00 0.00 C ATOM 1350 O CYS A 36 -1.863 4.903 29.073 1.00 0.00 O ATOM 1351 CB CYS A 36 1.142 3.701 29.600 1.00 0.00 C ATOM 1352 SG CYS A 36 2.076 2.164 29.785 1.00 0.00 S ATOM 0 H CYS A 36 1.639 3.151 27.184 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.601 2.692 28.808 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.813 4.508 29.306 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.704 3.984 30.557 1.00 0.00 H new ATOM 0 HG CYS A 36 3.327 2.440 30.008 1.00 0.00 H new ATOM 1357 N GLY A 37 -0.267 5.857 27.911 1.00 0.00 N ATOM 1358 CA GLY A 37 -1.020 7.139 27.870 1.00 0.00 C ATOM 1359 C GLY A 37 -2.332 6.925 27.118 1.00 0.00 C ATOM 1360 O GLY A 37 -3.384 7.365 27.539 1.00 0.00 O ATOM 0 H GLY A 37 0.636 5.864 27.436 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.220 7.490 28.882 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.426 7.908 27.377 1.00 0.00 H new ATOM 1364 N LEU A 38 -2.271 6.254 26.002 1.00 0.00 N ATOM 1365 CA LEU A 38 -3.503 6.005 25.205 1.00 0.00 C ATOM 1366 C LEU A 38 -4.440 5.039 25.940 1.00 0.00 C ATOM 1367 O LEU A 38 -5.621 5.286 26.069 1.00 0.00 O ATOM 1368 CB LEU A 38 -3.102 5.387 23.860 1.00 0.00 C ATOM 1369 CG LEU A 38 -2.339 6.411 23.006 1.00 0.00 C ATOM 1370 CD1 LEU A 38 -1.628 5.684 21.857 1.00 0.00 C ATOM 1371 CD2 LEU A 38 -3.307 7.452 22.421 1.00 0.00 C ATOM 0 H LEU A 38 -1.415 5.865 25.606 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.025 6.950 25.055 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.480 4.508 24.028 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.992 5.051 23.327 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.610 6.920 23.637 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.085 6.408 21.249 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.927 4.956 22.265 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.365 5.171 21.239 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.749 8.169 21.819 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.046 6.951 21.796 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.813 7.975 23.233 1.00 0.00 H new ATOM 1383 N PHE A 39 -3.936 3.921 26.388 1.00 0.00 N ATOM 1384 CA PHE A 39 -4.814 2.926 27.071 1.00 0.00 C ATOM 1385 C PHE A 39 -5.216 3.380 28.480 1.00 0.00 C ATOM 1386 O PHE A 39 -6.371 3.316 28.851 1.00 0.00 O ATOM 1387 CB PHE A 39 -4.082 1.584 27.166 1.00 0.00 C ATOM 1388 CG PHE A 39 -5.049 0.524 27.642 1.00 0.00 C ATOM 1389 CD1 PHE A 39 -5.420 0.462 28.992 1.00 0.00 C ATOM 1390 CD2 PHE A 39 -5.585 -0.393 26.729 1.00 0.00 C ATOM 1391 CE1 PHE A 39 -6.325 -0.511 29.427 1.00 0.00 C ATOM 1392 CE2 PHE A 39 -6.491 -1.367 27.166 1.00 0.00 C ATOM 1393 CZ PHE A 39 -6.861 -1.425 28.513 1.00 0.00 C ATOM 0 H PHE A 39 -2.955 3.653 26.311 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.724 2.828 26.479 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.673 1.310 26.194 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.241 1.663 27.855 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.006 1.167 29.698 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.300 -0.349 25.688 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.610 -0.557 30.468 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.904 -2.074 26.462 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.561 -2.176 28.848 1.00 0.00 H new ATOM 1403 N LEU A 40 -4.275 3.788 29.286 1.00 0.00 N ATOM 1404 CA LEU A 40 -4.609 4.184 30.687 1.00 0.00 C ATOM 1405 C LEU A 40 -5.609 5.342 30.679 1.00 0.00 C ATOM 1406 O LEU A 40 -6.622 5.306 31.348 1.00 0.00 O ATOM 1407 CB LEU A 40 -3.318 4.626 31.383 1.00 0.00 C ATOM 1408 CG LEU A 40 -3.511 4.707 32.906 1.00 0.00 C ATOM 1409 CD1 LEU A 40 -3.596 3.297 33.520 1.00 0.00 C ATOM 1410 CD2 LEU A 40 -2.318 5.457 33.509 1.00 0.00 C ATOM 0 H LEU A 40 -3.289 3.865 29.037 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.055 3.341 31.215 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.517 3.923 31.152 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.009 5.599 31.000 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.441 5.232 33.124 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.733 3.377 34.598 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.441 2.762 33.086 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.675 2.753 33.310 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.439 5.524 34.590 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.397 4.921 33.279 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.268 6.461 33.087 1.00 0.00 H new ATOM 1422 N LYS A 41 -5.329 6.372 29.933 1.00 0.00 N ATOM 1423 CA LYS A 41 -6.257 7.536 29.885 1.00 0.00 C ATOM 1424 C LYS A 41 -7.622 7.115 29.333 1.00 0.00 C ATOM 1425 O LYS A 41 -8.652 7.486 29.858 1.00 0.00 O ATOM 1426 CB LYS A 41 -5.662 8.615 28.983 1.00 0.00 C ATOM 1427 CG LYS A 41 -6.562 9.849 29.017 1.00 0.00 C ATOM 1428 CD LYS A 41 -5.927 10.968 28.192 1.00 0.00 C ATOM 1429 CE LYS A 41 -6.824 12.203 28.255 1.00 0.00 C ATOM 1430 NZ LYS A 41 -7.002 12.608 29.678 1.00 0.00 N ATOM 0 H LYS A 41 -4.495 6.459 29.352 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.391 7.921 30.896 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.657 8.873 29.318 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.572 8.244 27.962 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.547 9.604 28.620 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.706 10.179 30.046 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.935 11.203 28.577 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.800 10.648 27.158 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.380 13.019 27.685 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.792 11.988 27.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.340 13.591 29.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.698 11.983 30.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.092 12.534 30.176 1.00 0.00 H new ATOM 1444 N LEU A 42 -7.642 6.368 28.262 1.00 0.00 N ATOM 1445 CA LEU A 42 -8.949 5.962 27.670 1.00 0.00 C ATOM 1446 C LEU A 42 -9.692 5.002 28.596 1.00 0.00 C ATOM 1447 O LEU A 42 -10.897 5.070 28.729 1.00 0.00 O ATOM 1448 CB LEU A 42 -8.722 5.244 26.334 1.00 0.00 C ATOM 1449 CG LEU A 42 -8.229 6.216 25.255 1.00 0.00 C ATOM 1450 CD1 LEU A 42 -7.795 5.406 24.030 1.00 0.00 C ATOM 1451 CD2 LEU A 42 -9.356 7.184 24.853 1.00 0.00 C ATOM 0 H LEU A 42 -6.815 6.023 27.774 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.539 6.867 27.525 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.992 4.445 26.467 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.651 4.776 26.008 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.392 6.796 25.644 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.441 6.083 23.253 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.992 4.724 24.310 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.642 4.833 23.654 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.992 7.868 24.087 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.200 6.617 24.462 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.675 7.754 25.726 1.00 0.00 H new ATOM 1463 N HIS A 43 -8.999 4.086 29.207 1.00 0.00 N ATOM 1464 CA HIS A 43 -9.688 3.097 30.083 1.00 0.00 C ATOM 1465 C HIS A 43 -9.932 3.673 31.478 1.00 0.00 C ATOM 1466 O HIS A 43 -10.998 3.510 32.036 1.00 0.00 O ATOM 1467 CB HIS A 43 -8.817 1.846 30.185 1.00 0.00 C ATOM 1468 CG HIS A 43 -8.867 1.107 28.878 1.00 0.00 C ATOM 1469 ND1 HIS A 43 -8.139 1.515 27.773 1.00 0.00 N ATOM 1470 CD2 HIS A 43 -9.577 0.003 28.473 1.00 0.00 C ATOM 1471 CE1 HIS A 43 -8.427 0.673 26.764 1.00 0.00 C ATOM 1472 NE2 HIS A 43 -9.299 -0.268 27.137 1.00 0.00 N ATOM 0 H HIS A 43 -7.987 3.978 29.139 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.657 2.851 29.649 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.789 2.121 30.423 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.171 1.206 30.993 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.501 2.309 27.732 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.249 -0.568 29.097 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.005 0.749 25.773 1.00 0.00 H new ATOM 1480 N GLY A 44 -8.977 4.350 32.051 1.00 0.00 N ATOM 1481 CA GLY A 44 -9.198 4.928 33.406 1.00 0.00 C ATOM 1482 C GLY A 44 -9.180 3.835 34.480 1.00 0.00 C ATOM 1483 O GLY A 44 -9.560 4.075 35.608 1.00 0.00 O ATOM 0 H GLY A 44 -8.059 4.528 31.644 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.425 5.666 33.621 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.154 5.451 33.431 1.00 0.00 H new ATOM 1487 N VAL A 45 -8.746 2.641 34.154 1.00 0.00 N ATOM 1488 CA VAL A 45 -8.707 1.542 35.173 1.00 0.00 C ATOM 1489 C VAL A 45 -7.380 0.788 35.070 1.00 0.00 C ATOM 1490 O VAL A 45 -6.582 1.031 34.187 1.00 0.00 O ATOM 1491 CB VAL A 45 -9.864 0.560 34.950 1.00 0.00 C ATOM 1492 CG1 VAL A 45 -11.179 1.205 35.393 1.00 0.00 C ATOM 1493 CG2 VAL A 45 -9.951 0.182 33.468 1.00 0.00 C ATOM 0 H VAL A 45 -8.416 2.379 33.225 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.804 1.986 36.164 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.685 -0.340 35.538 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.999 0.505 35.233 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.121 1.461 36.451 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.355 2.109 34.810 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.775 -0.516 33.318 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.122 1.079 32.873 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.018 -0.287 33.157 1.00 0.00 H new ATOM 1503 N VAL A 46 -7.138 -0.124 35.974 1.00 0.00 N ATOM 1504 CA VAL A 46 -5.864 -0.896 35.936 1.00 0.00 C ATOM 1505 C VAL A 46 -5.699 -1.540 34.559 1.00 0.00 C ATOM 1506 O VAL A 46 -6.661 -1.898 33.910 1.00 0.00 O ATOM 1507 CB VAL A 46 -5.872 -1.986 37.011 1.00 0.00 C ATOM 1508 CG1 VAL A 46 -5.668 -1.355 38.390 1.00 0.00 C ATOM 1509 CG2 VAL A 46 -7.208 -2.732 36.984 1.00 0.00 C ATOM 0 H VAL A 46 -7.769 -0.367 36.738 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.033 -0.217 36.127 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.062 -2.688 36.811 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.675 -2.135 39.152 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.711 -0.833 38.413 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.473 -0.647 38.589 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.208 -3.506 37.751 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.020 -2.031 37.176 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.349 -3.191 36.005 1.00 0.00 H new ATOM 1519 N ARG A 47 -4.478 -1.694 34.119 1.00 0.00 N ATOM 1520 CA ARG A 47 -4.204 -2.315 32.787 1.00 0.00 C ATOM 1521 C ARG A 47 -3.155 -3.419 32.975 1.00 0.00 C ATOM 1522 O ARG A 47 -2.185 -3.221 33.680 1.00 0.00 O ATOM 1523 CB ARG A 47 -3.632 -1.239 31.855 1.00 0.00 C ATOM 1524 CG ARG A 47 -3.361 -1.820 30.459 1.00 0.00 C ATOM 1525 CD ARG A 47 -2.566 -0.811 29.626 1.00 0.00 C ATOM 1526 NE ARG A 47 -1.118 -0.948 29.952 1.00 0.00 N ATOM 1527 CZ ARG A 47 -0.219 -0.371 29.203 1.00 0.00 C ATOM 1528 NH1 ARG A 47 -0.580 0.302 28.146 1.00 0.00 N ATOM 1529 NH2 ARG A 47 1.045 -0.475 29.508 1.00 0.00 N ATOM 0 H ARG A 47 -3.644 -1.411 34.634 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.118 -2.731 32.362 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.332 -0.407 31.779 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.708 -0.841 32.275 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.805 -2.754 30.545 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.303 -2.054 29.963 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.731 -0.987 28.563 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.906 0.203 29.838 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.829 -1.495 30.763 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.568 0.378 27.903 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.125 0.752 27.562 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.329 -1.007 30.331 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.749 -0.025 28.924 1.00 0.00 H new ATOM 1543 N PRO A 48 -3.310 -4.564 32.351 1.00 0.00 N ATOM 1544 CA PRO A 48 -2.305 -5.651 32.482 1.00 0.00 C ATOM 1545 C PRO A 48 -1.026 -5.280 31.733 1.00 0.00 C ATOM 1546 O PRO A 48 -0.961 -5.343 30.522 1.00 0.00 O ATOM 1547 CB PRO A 48 -2.979 -6.876 31.854 1.00 0.00 C ATOM 1548 CG PRO A 48 -4.004 -6.324 30.912 1.00 0.00 C ATOM 1549 CD PRO A 48 -4.425 -4.956 31.469 1.00 0.00 C ATOM 0 HA PRO A 48 -2.013 -5.834 33.516 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.254 -7.497 31.327 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.442 -7.504 32.615 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.592 -6.223 29.908 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.862 -6.992 30.839 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.575 -4.230 30.670 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.364 -5.022 32.019 1.00 0.00 H new ATOM 1557 N LEU A 49 -0.014 -4.885 32.445 1.00 0.00 N ATOM 1558 CA LEU A 49 1.254 -4.504 31.772 1.00 0.00 C ATOM 1559 C LEU A 49 1.788 -5.707 30.986 1.00 0.00 C ATOM 1560 O LEU A 49 2.688 -5.584 30.179 1.00 0.00 O ATOM 1561 CB LEU A 49 2.281 -4.070 32.817 1.00 0.00 C ATOM 1562 CG LEU A 49 1.697 -2.969 33.713 1.00 0.00 C ATOM 1563 CD1 LEU A 49 2.784 -2.475 34.672 1.00 0.00 C ATOM 1564 CD2 LEU A 49 1.180 -1.798 32.859 1.00 0.00 C ATOM 0 H LEU A 49 -0.009 -4.809 33.462 1.00 0.00 H new ATOM 0 HA LEU A 49 1.072 -3.675 31.088 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.575 -4.926 33.425 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.182 -3.706 32.322 1.00 0.00 H new ATOM 0 HG LEU A 49 0.860 -3.375 34.281 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.376 -1.692 35.312 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.130 -3.305 35.289 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.621 -2.076 34.099 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.769 -1.026 33.510 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.002 -1.382 32.277 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.402 -2.155 32.184 1.00 0.00 H new ATOM 1576 N SER A 50 1.244 -6.873 31.225 1.00 0.00 N ATOM 1577 CA SER A 50 1.727 -8.090 30.504 1.00 0.00 C ATOM 1578 C SER A 50 1.540 -7.906 28.997 1.00 0.00 C ATOM 1579 O SER A 50 2.068 -8.658 28.203 1.00 0.00 O ATOM 1580 CB SER A 50 0.932 -9.317 30.962 1.00 0.00 C ATOM 1581 OG SER A 50 1.382 -9.719 32.248 1.00 0.00 O ATOM 0 H SER A 50 0.486 -7.035 31.888 1.00 0.00 H new ATOM 0 HA SER A 50 2.784 -8.236 30.727 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.132 -9.083 30.994 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.058 -10.132 30.249 1.00 0.00 H new ATOM 0 HG SER A 50 0.873 -10.503 32.543 1.00 0.00 H new ATOM 1587 N LEU A 51 0.806 -6.907 28.595 1.00 0.00 N ATOM 1588 CA LEU A 51 0.607 -6.677 27.137 1.00 0.00 C ATOM 1589 C LEU A 51 1.877 -6.053 26.567 1.00 0.00 C ATOM 1590 O LEU A 51 2.288 -6.346 25.463 1.00 0.00 O ATOM 1591 CB LEU A 51 -0.539 -5.693 26.923 1.00 0.00 C ATOM 1592 CG LEU A 51 -1.854 -6.268 27.451 1.00 0.00 C ATOM 1593 CD1 LEU A 51 -2.889 -5.145 27.460 1.00 0.00 C ATOM 1594 CD2 LEU A 51 -2.344 -7.411 26.549 1.00 0.00 C ATOM 0 H LEU A 51 0.337 -6.242 29.210 1.00 0.00 H new ATOM 0 HA LEU A 51 0.381 -7.624 26.647 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.318 -4.754 27.430 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.636 -5.466 25.861 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.706 -6.666 28.455 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.839 -5.528 27.833 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.544 -4.338 28.106 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.024 -4.766 26.447 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.281 -7.808 26.941 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.504 -7.034 25.539 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.596 -8.203 26.527 1.00 0.00 H new ATOM 1606 N LYS A 52 2.487 -5.177 27.316 1.00 0.00 N ATOM 1607 CA LYS A 52 3.724 -4.499 26.829 1.00 0.00 C ATOM 1608 C LYS A 52 4.665 -5.514 26.174 1.00 0.00 C ATOM 1609 O LYS A 52 4.636 -6.693 26.467 1.00 0.00 O ATOM 1610 CB LYS A 52 4.438 -3.820 28.009 1.00 0.00 C ATOM 1611 CG LYS A 52 5.677 -3.034 27.518 1.00 0.00 C ATOM 1612 CD LYS A 52 6.967 -3.859 27.711 1.00 0.00 C ATOM 1613 CE LYS A 52 7.558 -3.624 29.110 1.00 0.00 C ATOM 1614 NZ LYS A 52 8.287 -4.849 29.543 1.00 0.00 N ATOM 0 H LYS A 52 2.182 -4.899 28.249 1.00 0.00 H new ATOM 0 HA LYS A 52 3.446 -3.749 26.089 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.750 -3.144 28.517 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.743 -4.571 28.737 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.557 -2.780 26.465 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.757 -2.095 28.065 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.751 -4.919 27.576 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.698 -3.583 26.951 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.235 -2.770 29.094 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.764 -3.388 29.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.690 -4.697 30.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.628 -5.653 29.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.053 -5.053 28.870 1.00 0.00 H new ATOM 1628 N THR A 53 5.504 -5.046 25.290 1.00 0.00 N ATOM 1629 CA THR A 53 6.474 -5.945 24.600 1.00 0.00 C ATOM 1630 C THR A 53 7.715 -5.136 24.228 1.00 0.00 C ATOM 1631 O THR A 53 7.733 -3.926 24.344 1.00 0.00 O ATOM 1632 CB THR A 53 5.843 -6.518 23.332 1.00 0.00 C ATOM 1633 OG1 THR A 53 6.841 -7.189 22.577 1.00 0.00 O ATOM 1634 CG2 THR A 53 5.233 -5.389 22.495 1.00 0.00 C ATOM 0 H THR A 53 5.559 -4.066 25.013 1.00 0.00 H new ATOM 0 HA THR A 53 6.746 -6.767 25.263 1.00 0.00 H new ATOM 0 HB THR A 53 5.055 -7.220 23.604 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.468 -8.014 22.202 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.785 -5.806 21.593 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.467 -4.878 23.077 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.013 -4.679 22.218 1.00 0.00 H new ATOM 1642 N ASP A 54 8.760 -5.786 23.794 1.00 0.00 N ATOM 1643 CA ASP A 54 10.005 -5.045 23.428 1.00 0.00 C ATOM 1644 C ASP A 54 10.032 -4.800 21.915 1.00 0.00 C ATOM 1645 O ASP A 54 10.918 -4.145 21.401 1.00 0.00 O ATOM 1646 CB ASP A 54 11.213 -5.890 23.829 1.00 0.00 C ATOM 1647 CG ASP A 54 11.298 -5.946 25.356 1.00 0.00 C ATOM 1648 OD1 ASP A 54 10.888 -4.986 25.987 1.00 0.00 O ATOM 1649 OD2 ASP A 54 11.766 -6.948 25.867 1.00 0.00 O ATOM 0 H ASP A 54 8.808 -6.798 23.676 1.00 0.00 H new ATOM 0 HA ASP A 54 10.032 -4.086 23.945 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.121 -6.896 23.420 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.126 -5.461 23.417 1.00 0.00 H new ATOM 1654 N VAL A 55 9.052 -5.306 21.207 1.00 0.00 N ATOM 1655 CA VAL A 55 8.977 -5.099 19.729 1.00 0.00 C ATOM 1656 C VAL A 55 7.694 -4.324 19.425 1.00 0.00 C ATOM 1657 O VAL A 55 6.662 -4.573 20.016 1.00 0.00 O ATOM 1658 CB VAL A 55 8.966 -6.455 19.010 1.00 0.00 C ATOM 1659 CG1 VAL A 55 7.691 -7.238 19.341 1.00 0.00 C ATOM 1660 CG2 VAL A 55 9.044 -6.232 17.498 1.00 0.00 C ATOM 0 H VAL A 55 8.291 -5.861 21.597 1.00 0.00 H new ATOM 0 HA VAL A 55 9.843 -4.538 19.379 1.00 0.00 H new ATOM 0 HB VAL A 55 9.827 -7.032 19.348 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.706 -8.195 18.820 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.639 -7.411 20.416 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.820 -6.666 19.023 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.036 -7.195 16.987 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.187 -5.642 17.173 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.964 -5.700 17.256 1.00 0.00 H new ATOM 1670 N ILE A 56 7.753 -3.380 18.523 1.00 0.00 N ATOM 1671 CA ILE A 56 6.544 -2.566 18.186 1.00 0.00 C ATOM 1672 C ILE A 56 6.042 -2.932 16.789 1.00 0.00 C ATOM 1673 O ILE A 56 6.815 -3.139 15.874 1.00 0.00 O ATOM 1674 CB ILE A 56 6.909 -1.083 18.225 1.00 0.00 C ATOM 1675 CG1 ILE A 56 7.399 -0.722 19.627 1.00 0.00 C ATOM 1676 CG2 ILE A 56 5.675 -0.241 17.892 1.00 0.00 C ATOM 1677 CD1 ILE A 56 7.990 0.685 19.605 1.00 0.00 C ATOM 0 H ILE A 56 8.594 -3.135 18.000 1.00 0.00 H new ATOM 0 HA ILE A 56 5.757 -2.771 18.912 1.00 0.00 H new ATOM 0 HB ILE A 56 7.693 -0.883 17.495 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.574 -0.772 20.338 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.149 -1.439 19.959 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.938 0.817 17.920 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.316 -0.499 16.896 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.891 -0.440 18.623 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.341 0.948 20.603 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.826 0.718 18.906 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.226 1.396 19.291 1.00 0.00 H new ATOM 1689 N LYS A 57 4.750 -3.011 16.620 1.00 0.00 N ATOM 1690 CA LYS A 57 4.192 -3.361 15.285 1.00 0.00 C ATOM 1691 C LYS A 57 4.232 -2.118 14.395 1.00 0.00 C ATOM 1692 O LYS A 57 3.655 -1.095 14.708 1.00 0.00 O ATOM 1693 CB LYS A 57 2.745 -3.845 15.465 1.00 0.00 C ATOM 1694 CG LYS A 57 2.090 -4.186 14.117 1.00 0.00 C ATOM 1695 CD LYS A 57 2.722 -5.448 13.514 1.00 0.00 C ATOM 1696 CE LYS A 57 1.840 -5.989 12.382 1.00 0.00 C ATOM 1697 NZ LYS A 57 2.281 -7.368 12.028 1.00 0.00 N ATOM 0 H LYS A 57 4.057 -2.848 17.350 1.00 0.00 H new ATOM 0 HA LYS A 57 4.777 -4.153 14.818 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.732 -4.724 16.109 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.163 -3.073 15.968 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.020 -4.339 14.255 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.206 -3.349 13.428 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.717 -5.219 13.133 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.843 -6.208 14.286 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.795 -5.998 12.692 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.908 -5.338 11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.684 -7.737 11.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.273 -7.346 11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.194 -7.985 12.861 1.00 0.00 H new ATOM 1711 N LYS A 58 4.916 -2.204 13.287 1.00 0.00 N ATOM 1712 CA LYS A 58 5.008 -1.036 12.367 1.00 0.00 C ATOM 1713 C LYS A 58 3.807 -1.032 11.424 1.00 0.00 C ATOM 1714 O LYS A 58 3.591 -1.970 10.683 1.00 0.00 O ATOM 1715 CB LYS A 58 6.281 -1.138 11.522 1.00 0.00 C ATOM 1716 CG LYS A 58 7.523 -1.073 12.419 1.00 0.00 C ATOM 1717 CD LYS A 58 8.799 -1.176 11.565 1.00 0.00 C ATOM 1718 CE LYS A 58 9.155 -2.644 11.299 1.00 0.00 C ATOM 1719 NZ LYS A 58 10.227 -2.716 10.265 1.00 0.00 N ATOM 0 H LYS A 58 5.417 -3.037 12.978 1.00 0.00 H new ATOM 0 HA LYS A 58 5.026 -0.122 12.961 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.279 -2.072 10.960 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.308 -0.328 10.793 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.527 -0.139 12.981 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.498 -1.883 13.148 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.653 -0.655 10.619 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.626 -0.683 12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.491 -3.121 12.220 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.273 -3.188 10.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.469 -3.711 10.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.890 -2.276 9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.071 -2.211 10.604 1.00 0.00 H new ATOM 1733 N ARG A 59 3.032 0.017 11.431 1.00 0.00 N ATOM 1734 CA ARG A 59 1.854 0.088 10.520 1.00 0.00 C ATOM 1735 C ARG A 59 2.248 0.894 9.286 1.00 0.00 C ATOM 1736 O ARG A 59 3.353 1.389 9.185 1.00 0.00 O ATOM 1737 CB ARG A 59 0.682 0.772 11.228 1.00 0.00 C ATOM 1738 CG ARG A 59 0.143 -0.150 12.324 1.00 0.00 C ATOM 1739 CD ARG A 59 -1.035 0.525 13.029 1.00 0.00 C ATOM 1740 NE ARG A 59 -2.178 0.663 12.081 1.00 0.00 N ATOM 1741 CZ ARG A 59 -3.370 0.933 12.540 1.00 0.00 C ATOM 1742 NH1 ARG A 59 -3.555 1.057 13.825 1.00 0.00 N ATOM 1743 NH2 ARG A 59 -4.376 1.074 11.719 1.00 0.00 N ATOM 0 H ARG A 59 3.164 0.831 12.031 1.00 0.00 H new ATOM 0 HA ARG A 59 1.547 -0.918 10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.006 1.719 11.660 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.106 1.002 10.511 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.174 -1.099 11.892 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.930 -0.375 13.044 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.338 -0.063 13.895 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.736 1.506 13.398 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.029 0.547 11.079 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.770 0.943 14.467 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.484 1.268 14.188 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.232 0.973 10.714 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.305 1.285 12.083 1.00 0.00 H new ATOM 1757 N ASN A 60 1.365 1.015 8.340 1.00 0.00 N ATOM 1758 CA ASN A 60 1.710 1.770 7.108 1.00 0.00 C ATOM 1759 C ASN A 60 1.666 3.267 7.403 1.00 0.00 C ATOM 1760 O ASN A 60 1.681 3.689 8.543 1.00 0.00 O ATOM 1761 CB ASN A 60 0.709 1.432 6.000 1.00 0.00 C ATOM 1762 CG ASN A 60 0.957 0.008 5.498 1.00 0.00 C ATOM 1763 OD1 ASN A 60 2.049 -0.512 5.624 1.00 0.00 O ATOM 1764 ND2 ASN A 60 -0.016 -0.648 4.930 1.00 0.00 N ATOM 0 H ASN A 60 0.423 0.626 8.365 1.00 0.00 H new ATOM 0 HA ASN A 60 2.712 1.494 6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.310 1.523 6.377 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.809 2.140 5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.139 -1.598 4.591 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.932 -0.212 4.824 1.00 0.00 H new