USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 416 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 20 THR OG1 : rot -140:sc= -0.214 USER MOD Set 1.2: A 34 ASN : amide:sc= -15.2! C(o=-15!,f=-27!) USER MOD Set 2.1: A 12 CYS SG : rot 159:sc= -0.648! USER MOD Set 2.2: A 15 CYS SG : rot -60:sc= -4.12! USER MOD Set 2.3: A 33 CYS SG : rot -129:sc= 0.667 USER MOD Set 2.4: A 36 CYS SG : rot 84:sc= 0.204 USER MOD Set 3.1: A 11 THR OG1 : rot -48:sc= 0.206 USER MOD Set 3.2: A 18 GLN : amide:sc= 1.07 K(o=1.3,f=-0.29) USER MOD Set 4.1: A 13 THR OG1 : rot -72:sc= -0.0354 USER MOD Set 4.2: A 14 ASN : amide:sc= -5.27! C(o=-5.3!,f=-4!) USER MOD Single : A 10 THR OG1 : rot 23:sc= 0.199 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.12 K(o=-2.1,f=-0.99) USER MOD Single : A 30 GLN : amide:sc= -6.29! C(o=-6.3!,f=-12!) USER MOD Single : A 41 LYS NZ :NH3+ -152:sc= -0.0895 (180deg=-0.692) USER MOD Single : A 43 HIS : no HE2:sc= -9.34! C(o=-9.3!,f=-18!) USER MOD Single : A 50 SER OG : rot -33:sc= 0.174! USER MOD Single : A 52 LYS NZ :NH3+ 147:sc= -0.565 (180deg=-2.06) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.354 USER MOD Single : A 57 LYS NZ :NH3+ 173:sc= -1.36 (180deg=-1.52) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.836 K(o=-0.84,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 955 N THR A 10 12.153 11.502 30.881 1.00 0.00 N ATOM 956 CA THR A 10 10.740 11.192 30.530 1.00 0.00 C ATOM 957 C THR A 10 10.505 9.696 30.740 1.00 0.00 C ATOM 958 O THR A 10 11.136 8.864 30.118 1.00 0.00 O ATOM 959 CB THR A 10 10.485 11.553 29.064 1.00 0.00 C ATOM 960 OG1 THR A 10 10.892 12.894 28.829 1.00 0.00 O ATOM 961 CG2 THR A 10 8.993 11.410 28.752 1.00 0.00 C ATOM 0 HA THR A 10 10.062 11.768 31.160 1.00 0.00 H new ATOM 0 HB THR A 10 11.055 10.882 28.421 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.550 13.159 29.505 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.813 11.667 27.708 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.681 10.381 28.931 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.421 12.080 29.394 1.00 0.00 H new ATOM 969 N THR A 11 9.607 9.346 31.620 1.00 0.00 N ATOM 970 CA THR A 11 9.324 7.905 31.891 1.00 0.00 C ATOM 971 C THR A 11 7.825 7.725 32.134 1.00 0.00 C ATOM 972 O THR A 11 7.168 8.596 32.667 1.00 0.00 O ATOM 973 CB THR A 11 10.095 7.469 33.142 1.00 0.00 C ATOM 974 OG1 THR A 11 11.490 7.491 32.872 1.00 0.00 O ATOM 975 CG2 THR A 11 9.673 6.055 33.545 1.00 0.00 C ATOM 0 H THR A 11 9.051 10.002 32.169 1.00 0.00 H new ATOM 0 HA THR A 11 9.633 7.300 31.038 1.00 0.00 H new ATOM 0 HB THR A 11 9.872 8.156 33.959 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.667 7.029 32.026 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.224 5.750 34.435 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.604 6.041 33.758 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.890 5.364 32.730 1.00 0.00 H new ATOM 983 N CYS A 12 7.276 6.601 31.764 1.00 0.00 N ATOM 984 CA CYS A 12 5.823 6.382 31.998 1.00 0.00 C ATOM 985 C CYS A 12 5.598 6.113 33.484 1.00 0.00 C ATOM 986 O CYS A 12 5.946 5.070 34.000 1.00 0.00 O ATOM 987 CB CYS A 12 5.349 5.186 31.178 1.00 0.00 C ATOM 988 SG CYS A 12 3.544 5.219 31.058 1.00 0.00 S ATOM 0 H CYS A 12 7.768 5.830 31.313 1.00 0.00 H new ATOM 0 HA CYS A 12 5.260 7.265 31.696 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.791 5.215 30.182 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.677 4.257 31.645 1.00 0.00 H new ATOM 0 HG CYS A 12 3.164 4.507 30.039 1.00 0.00 H new ATOM 993 N THR A 13 5.004 7.049 34.168 1.00 0.00 N ATOM 994 CA THR A 13 4.750 6.869 35.623 1.00 0.00 C ATOM 995 C THR A 13 3.718 5.764 35.833 1.00 0.00 C ATOM 996 O THR A 13 3.488 5.324 36.942 1.00 0.00 O ATOM 997 CB THR A 13 4.237 8.182 36.214 1.00 0.00 C ATOM 998 OG1 THR A 13 3.073 8.595 35.512 1.00 0.00 O ATOM 999 CG2 THR A 13 5.322 9.253 36.087 1.00 0.00 C ATOM 0 H THR A 13 4.682 7.935 33.780 1.00 0.00 H new ATOM 0 HA THR A 13 5.677 6.587 36.123 1.00 0.00 H new ATOM 0 HB THR A 13 3.991 8.038 37.266 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.324 8.910 34.619 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.959 10.191 36.508 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.213 8.934 36.627 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.568 9.399 35.035 1.00 0.00 H new ATOM 1007 N ASN A 14 3.088 5.308 34.780 1.00 0.00 N ATOM 1008 CA ASN A 14 2.066 4.231 34.931 1.00 0.00 C ATOM 1009 C ASN A 14 2.695 2.861 34.649 1.00 0.00 C ATOM 1010 O ASN A 14 2.338 1.891 35.286 1.00 0.00 O ATOM 1011 CB ASN A 14 0.905 4.472 33.957 1.00 0.00 C ATOM 1012 CG ASN A 14 0.004 5.586 34.498 1.00 0.00 C ATOM 1013 OD1 ASN A 14 -1.082 5.802 33.997 1.00 0.00 O ATOM 1014 ND2 ASN A 14 0.413 6.309 35.505 1.00 0.00 N ATOM 0 H ASN A 14 3.237 5.635 33.825 1.00 0.00 H new ATOM 0 HA ASN A 14 1.690 4.247 35.954 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.291 4.747 32.976 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.329 3.555 33.827 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.179 7.055 35.871 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.324 6.128 35.926 1.00 0.00 H new ATOM 1021 N CYS A 15 3.594 2.745 33.692 1.00 0.00 N ATOM 1022 CA CYS A 15 4.188 1.396 33.390 1.00 0.00 C ATOM 1023 C CYS A 15 5.714 1.458 33.230 1.00 0.00 C ATOM 1024 O CYS A 15 6.333 0.479 32.867 1.00 0.00 O ATOM 1025 CB CYS A 15 3.544 0.832 32.117 1.00 0.00 C ATOM 1026 SG CYS A 15 4.269 1.592 30.642 1.00 0.00 S ATOM 0 H CYS A 15 3.937 3.513 33.115 1.00 0.00 H new ATOM 0 HA CYS A 15 3.981 0.740 34.235 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.683 -0.248 32.081 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.470 1.015 32.135 1.00 0.00 H new ATOM 0 HG CYS A 15 4.074 2.877 30.676 1.00 0.00 H new ATOM 1031 N PHE A 16 6.335 2.570 33.526 1.00 0.00 N ATOM 1032 CA PHE A 16 7.827 2.665 33.431 1.00 0.00 C ATOM 1033 C PHE A 16 8.357 2.319 32.037 1.00 0.00 C ATOM 1034 O PHE A 16 9.555 2.293 31.831 1.00 0.00 O ATOM 1035 CB PHE A 16 8.478 1.723 34.449 1.00 0.00 C ATOM 1036 CG PHE A 16 8.063 2.124 35.843 1.00 0.00 C ATOM 1037 CD1 PHE A 16 8.790 3.099 36.536 1.00 0.00 C ATOM 1038 CD2 PHE A 16 6.951 1.523 36.441 1.00 0.00 C ATOM 1039 CE1 PHE A 16 8.405 3.472 37.829 1.00 0.00 C ATOM 1040 CE2 PHE A 16 6.564 1.895 37.733 1.00 0.00 C ATOM 1041 CZ PHE A 16 7.291 2.869 38.427 1.00 0.00 C ATOM 0 H PHE A 16 5.871 3.425 33.832 1.00 0.00 H new ATOM 0 HA PHE A 16 8.085 3.703 33.641 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.179 0.694 34.251 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.563 1.763 34.355 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.648 3.563 36.073 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.391 0.771 35.905 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.966 4.223 38.365 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.705 1.431 38.194 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.993 3.156 39.425 1.00 0.00 H new ATOM 1051 N THR A 17 7.524 2.039 31.075 1.00 0.00 N ATOM 1052 CA THR A 17 8.080 1.691 29.738 1.00 0.00 C ATOM 1053 C THR A 17 8.831 2.899 29.178 1.00 0.00 C ATOM 1054 O THR A 17 8.332 4.006 29.170 1.00 0.00 O ATOM 1055 CB THR A 17 6.946 1.296 28.785 1.00 0.00 C ATOM 1056 OG1 THR A 17 7.499 0.733 27.604 1.00 0.00 O ATOM 1057 CG2 THR A 17 6.112 2.524 28.417 1.00 0.00 C ATOM 0 H THR A 17 6.507 2.035 31.151 1.00 0.00 H new ATOM 0 HA THR A 17 8.764 0.848 29.837 1.00 0.00 H new ATOM 0 HB THR A 17 6.305 0.566 29.280 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.776 0.478 26.994 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.310 2.230 27.740 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.683 2.957 29.321 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.748 3.262 27.928 1.00 0.00 H new ATOM 1065 N GLN A 18 10.035 2.687 28.714 1.00 0.00 N ATOM 1066 CA GLN A 18 10.846 3.810 28.154 1.00 0.00 C ATOM 1067 C GLN A 18 10.762 3.771 26.625 1.00 0.00 C ATOM 1068 O GLN A 18 11.220 4.666 25.943 1.00 0.00 O ATOM 1069 CB GLN A 18 12.302 3.647 28.615 1.00 0.00 C ATOM 1070 CG GLN A 18 13.123 4.903 28.291 1.00 0.00 C ATOM 1071 CD GLN A 18 12.544 6.117 29.025 1.00 0.00 C ATOM 1072 OE1 GLN A 18 12.397 6.099 30.231 1.00 0.00 O ATOM 1073 NE2 GLN A 18 12.205 7.176 28.342 1.00 0.00 N ATOM 0 H GLN A 18 10.495 1.777 28.699 1.00 0.00 H new ATOM 0 HA GLN A 18 10.465 4.769 28.505 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.329 3.457 29.688 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.748 2.780 28.127 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.162 4.753 28.584 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.118 5.082 27.216 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.328 7.191 27.330 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.817 7.989 28.821 1.00 0.00 H new ATOM 1082 N THR A 19 10.161 2.743 26.081 1.00 0.00 N ATOM 1083 CA THR A 19 10.027 2.643 24.596 1.00 0.00 C ATOM 1084 C THR A 19 8.612 3.068 24.192 1.00 0.00 C ATOM 1085 O THR A 19 7.637 2.447 24.567 1.00 0.00 O ATOM 1086 CB THR A 19 10.260 1.190 24.165 1.00 0.00 C ATOM 1087 OG1 THR A 19 11.602 0.824 24.456 1.00 0.00 O ATOM 1088 CG2 THR A 19 10.003 1.047 22.664 1.00 0.00 C ATOM 0 H THR A 19 9.756 1.966 26.603 1.00 0.00 H new ATOM 0 HA THR A 19 10.759 3.291 24.114 1.00 0.00 H new ATOM 0 HB THR A 19 9.576 0.537 24.707 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.754 -0.105 24.183 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.170 0.013 22.363 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.973 1.327 22.443 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.682 1.699 22.115 1.00 0.00 H new ATOM 1096 N THR A 20 8.490 4.117 23.425 1.00 0.00 N ATOM 1097 CA THR A 20 7.136 4.570 22.997 1.00 0.00 C ATOM 1098 C THR A 20 7.275 5.527 21.800 1.00 0.00 C ATOM 1099 O THR A 20 8.220 6.287 21.734 1.00 0.00 O ATOM 1100 CB THR A 20 6.452 5.286 24.165 1.00 0.00 C ATOM 1101 OG1 THR A 20 5.093 5.538 23.833 1.00 0.00 O ATOM 1102 CG2 THR A 20 7.163 6.608 24.457 1.00 0.00 C ATOM 0 H THR A 20 9.267 4.679 23.077 1.00 0.00 H new ATOM 0 HA THR A 20 6.533 3.712 22.700 1.00 0.00 H new ATOM 0 HB THR A 20 6.501 4.654 25.052 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.837 6.427 24.157 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.670 7.110 25.289 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.203 6.412 24.717 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.123 7.245 23.574 1.00 0.00 H new ATOM 1110 N PRO A 21 6.357 5.508 20.859 1.00 0.00 N ATOM 1111 CA PRO A 21 6.422 6.408 19.669 1.00 0.00 C ATOM 1112 C PRO A 21 5.879 7.815 19.958 1.00 0.00 C ATOM 1113 O PRO A 21 6.135 8.747 19.220 1.00 0.00 O ATOM 1114 CB PRO A 21 5.528 5.691 18.658 1.00 0.00 C ATOM 1115 CG PRO A 21 4.468 5.063 19.500 1.00 0.00 C ATOM 1116 CD PRO A 21 5.162 4.639 20.799 1.00 0.00 C ATOM 0 HA PRO A 21 7.446 6.570 19.332 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.104 6.388 17.935 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.084 4.944 18.092 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.660 5.767 19.700 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.025 4.204 18.995 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.516 4.786 21.664 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.435 3.584 20.781 1.00 0.00 H new ATOM 1124 N LEU A 22 5.114 7.978 21.005 1.00 0.00 N ATOM 1125 CA LEU A 22 4.546 9.326 21.304 1.00 0.00 C ATOM 1126 C LEU A 22 4.247 9.445 22.804 1.00 0.00 C ATOM 1127 O LEU A 22 3.564 8.633 23.395 1.00 0.00 O ATOM 1128 CB LEU A 22 3.285 9.516 20.445 1.00 0.00 C ATOM 1129 CG LEU A 22 2.403 10.657 20.963 1.00 0.00 C ATOM 1130 CD1 LEU A 22 3.182 11.971 20.961 1.00 0.00 C ATOM 1131 CD2 LEU A 22 1.195 10.794 20.036 1.00 0.00 C ATOM 0 H LEU A 22 4.859 7.241 21.663 1.00 0.00 H new ATOM 0 HA LEU A 22 5.258 10.114 21.058 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.576 9.722 19.415 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.710 8.590 20.435 1.00 0.00 H new ATOM 0 HG LEU A 22 2.085 10.436 21.982 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.544 12.773 21.331 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.056 11.877 21.605 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.503 12.202 19.945 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.555 11.602 20.389 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.536 11.017 19.025 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.632 9.861 20.032 1.00 0.00 H new ATOM 1143 N TRP A 23 4.804 10.454 23.415 1.00 0.00 N ATOM 1144 CA TRP A 23 4.622 10.655 24.883 1.00 0.00 C ATOM 1145 C TRP A 23 3.306 11.378 25.188 1.00 0.00 C ATOM 1146 O TRP A 23 3.020 12.435 24.661 1.00 0.00 O ATOM 1147 CB TRP A 23 5.800 11.477 25.424 1.00 0.00 C ATOM 1148 CG TRP A 23 6.986 10.586 25.609 1.00 0.00 C ATOM 1149 CD1 TRP A 23 8.091 10.582 24.831 1.00 0.00 C ATOM 1150 CD2 TRP A 23 7.193 9.561 26.623 1.00 0.00 C ATOM 1151 NE1 TRP A 23 8.966 9.621 25.304 1.00 0.00 N ATOM 1152 CE2 TRP A 23 8.458 8.964 26.409 1.00 0.00 C ATOM 1153 CE3 TRP A 23 6.414 9.097 27.697 1.00 0.00 C ATOM 1154 CZ2 TRP A 23 8.932 7.941 27.233 1.00 0.00 C ATOM 1155 CZ3 TRP A 23 6.886 8.070 28.528 1.00 0.00 C ATOM 1156 CH2 TRP A 23 8.143 7.493 28.296 1.00 0.00 C ATOM 0 H TRP A 23 5.384 11.156 22.956 1.00 0.00 H new ATOM 0 HA TRP A 23 4.588 9.679 25.366 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.042 12.284 24.732 1.00 0.00 H new ATOM 0 HB3 TRP A 23 5.529 11.941 26.372 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.263 11.224 23.980 1.00 0.00 H new ATOM 0 HE1 TRP A 23 9.876 9.421 24.888 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.444 9.535 27.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 9.901 7.500 27.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.278 7.722 29.350 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.501 6.702 28.939 1.00 0.00 H new ATOM 1167 N ARG A 24 2.510 10.799 26.053 1.00 0.00 N ATOM 1168 CA ARG A 24 1.203 11.409 26.443 1.00 0.00 C ATOM 1169 C ARG A 24 1.318 11.896 27.891 1.00 0.00 C ATOM 1170 O ARG A 24 2.331 11.700 28.533 1.00 0.00 O ATOM 1171 CB ARG A 24 0.100 10.345 26.369 1.00 0.00 C ATOM 1172 CG ARG A 24 0.062 9.695 24.980 1.00 0.00 C ATOM 1173 CD ARG A 24 -0.681 10.595 23.989 1.00 0.00 C ATOM 1174 NE ARG A 24 -0.710 9.939 22.651 1.00 0.00 N ATOM 1175 CZ ARG A 24 -1.543 10.361 21.743 1.00 0.00 C ATOM 1176 NH1 ARG A 24 -2.390 11.305 22.041 1.00 0.00 N ATOM 1177 NH2 ARG A 24 -1.538 9.828 20.548 1.00 0.00 N ATOM 0 H ARG A 24 2.716 9.912 26.513 1.00 0.00 H new ATOM 0 HA ARG A 24 0.960 12.234 25.774 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.273 9.582 27.128 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.866 10.800 26.589 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.078 9.516 24.627 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.430 8.724 25.039 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.697 10.779 24.338 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.187 11.564 23.920 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.080 9.163 22.447 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.397 11.707 22.978 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.046 11.642 21.337 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.881 9.080 20.326 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.191 10.160 19.839 1.00 0.00 H new ATOM 1191 N ARG A 25 0.291 12.510 28.420 1.00 0.00 N ATOM 1192 CA ARG A 25 0.345 12.987 29.837 1.00 0.00 C ATOM 1193 C ARG A 25 -1.015 12.772 30.501 1.00 0.00 C ATOM 1194 O ARG A 25 -2.037 12.724 29.845 1.00 0.00 O ATOM 1195 CB ARG A 25 0.708 14.477 29.886 1.00 0.00 C ATOM 1196 CG ARG A 25 -0.359 15.311 29.172 1.00 0.00 C ATOM 1197 CD ARG A 25 0.035 16.788 29.233 1.00 0.00 C ATOM 1198 NE ARG A 25 1.396 16.962 28.655 1.00 0.00 N ATOM 1199 CZ ARG A 25 1.816 18.149 28.314 1.00 0.00 C ATOM 1200 NH1 ARG A 25 1.033 19.183 28.455 1.00 0.00 N ATOM 1201 NH2 ARG A 25 3.016 18.299 27.826 1.00 0.00 N ATOM 0 H ARG A 25 -0.584 12.702 27.932 1.00 0.00 H new ATOM 0 HA ARG A 25 1.109 12.420 30.370 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.799 14.802 30.923 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.678 14.637 29.416 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.455 14.990 28.135 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.330 15.161 29.643 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.686 17.391 28.681 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.019 17.137 30.265 1.00 0.00 H new ATOM 0 HE ARG A 25 2.001 16.151 28.525 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.093 19.063 28.832 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.361 20.111 28.188 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.625 17.489 27.711 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.346 19.227 27.559 1.00 0.00 H new ATOM 1215 N ASN A 26 -1.034 12.649 31.800 1.00 0.00 N ATOM 1216 CA ASN A 26 -2.324 12.445 32.521 1.00 0.00 C ATOM 1217 C ASN A 26 -2.879 13.817 32.928 1.00 0.00 C ATOM 1218 O ASN A 26 -2.115 14.691 33.274 1.00 0.00 O ATOM 1219 CB ASN A 26 -2.052 11.618 33.785 1.00 0.00 C ATOM 1220 CG ASN A 26 -3.354 10.982 34.277 1.00 0.00 C ATOM 1221 OD1 ASN A 26 -3.827 11.293 35.353 1.00 0.00 O ATOM 1222 ND2 ASN A 26 -3.960 10.103 33.528 1.00 0.00 N ATOM 0 H ASN A 26 -0.207 12.681 32.397 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.041 11.927 31.883 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.315 10.843 33.572 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.630 12.254 34.563 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.831 9.677 33.845 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.563 9.842 32.625 1.00 0.00 H new ATOM 1229 N PRO A 27 -4.175 14.029 32.916 1.00 0.00 N ATOM 1230 CA PRO A 27 -4.748 15.340 33.339 1.00 0.00 C ATOM 1231 C PRO A 27 -4.126 15.840 34.650 1.00 0.00 C ATOM 1232 O PRO A 27 -4.342 16.962 35.061 1.00 0.00 O ATOM 1233 CB PRO A 27 -6.235 15.029 33.532 1.00 0.00 C ATOM 1234 CG PRO A 27 -6.513 13.942 32.550 1.00 0.00 C ATOM 1235 CD PRO A 27 -5.240 13.089 32.500 1.00 0.00 C ATOM 0 HA PRO A 27 -4.558 16.129 32.612 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.445 14.707 34.552 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.853 15.906 33.341 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.371 13.346 32.859 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.747 14.353 31.568 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.304 12.233 33.172 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.060 12.696 31.499 1.00 0.00 H new ATOM 1243 N GLU A 28 -3.352 15.011 35.306 1.00 0.00 N ATOM 1244 CA GLU A 28 -2.707 15.418 36.591 1.00 0.00 C ATOM 1245 C GLU A 28 -1.246 15.812 36.333 1.00 0.00 C ATOM 1246 O GLU A 28 -0.525 16.192 37.233 1.00 0.00 O ATOM 1247 CB GLU A 28 -2.760 14.239 37.564 1.00 0.00 C ATOM 1248 CG GLU A 28 -4.215 13.979 37.962 1.00 0.00 C ATOM 1249 CD GLU A 28 -4.286 12.754 38.873 1.00 0.00 C ATOM 1250 OE1 GLU A 28 -3.252 12.146 39.097 1.00 0.00 O ATOM 1251 OE2 GLU A 28 -5.374 12.442 39.331 1.00 0.00 O ATOM 0 H GLU A 28 -3.138 14.061 35.002 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.234 16.272 37.016 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.333 13.350 37.100 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.162 14.455 38.449 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.624 14.850 38.474 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.823 13.818 37.072 1.00 0.00 H new ATOM 1258 N GLY A 29 -0.815 15.735 35.102 1.00 0.00 N ATOM 1259 CA GLY A 29 0.587 16.114 34.757 1.00 0.00 C ATOM 1260 C GLY A 29 1.552 14.937 34.938 1.00 0.00 C ATOM 1261 O GLY A 29 2.751 15.124 34.995 1.00 0.00 O ATOM 0 H GLY A 29 -1.380 15.422 34.313 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.627 16.462 33.725 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.905 16.945 35.386 1.00 0.00 H new ATOM 1265 N GLN A 30 1.062 13.727 35.015 1.00 0.00 N ATOM 1266 CA GLN A 30 1.977 12.554 35.172 1.00 0.00 C ATOM 1267 C GLN A 30 2.281 11.957 33.785 1.00 0.00 C ATOM 1268 O GLN A 30 1.397 11.411 33.155 1.00 0.00 O ATOM 1269 CB GLN A 30 1.284 11.496 36.040 1.00 0.00 C ATOM 1270 CG GLN A 30 1.409 11.868 37.524 1.00 0.00 C ATOM 1271 CD GLN A 30 1.052 13.343 37.728 1.00 0.00 C ATOM 1272 OE1 GLN A 30 -0.052 13.757 37.439 1.00 0.00 O ATOM 1273 NE2 GLN A 30 1.949 14.156 38.216 1.00 0.00 N ATOM 0 H GLN A 30 0.069 13.499 34.976 1.00 0.00 H new ATOM 0 HA GLN A 30 2.908 12.869 35.644 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.232 11.419 35.764 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.732 10.518 35.863 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.748 11.240 38.121 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.426 11.681 37.870 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.876 13.806 38.458 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.723 15.141 38.355 1.00 0.00 H new ATOM 1282 N PRO A 31 3.500 12.044 33.295 1.00 0.00 N ATOM 1283 CA PRO A 31 3.851 11.479 31.957 1.00 0.00 C ATOM 1284 C PRO A 31 3.361 10.038 31.769 1.00 0.00 C ATOM 1285 O PRO A 31 3.551 9.191 32.618 1.00 0.00 O ATOM 1286 CB PRO A 31 5.384 11.526 31.934 1.00 0.00 C ATOM 1287 CG PRO A 31 5.742 12.659 32.834 1.00 0.00 C ATOM 1288 CD PRO A 31 4.672 12.682 33.929 1.00 0.00 C ATOM 0 HA PRO A 31 3.379 12.043 31.152 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.814 10.589 32.287 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.760 11.689 30.924 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.735 12.519 33.261 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.761 13.601 32.287 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.995 12.134 34.814 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.449 13.700 34.248 1.00 0.00 H new ATOM 1296 N LEU A 32 2.762 9.763 30.640 1.00 0.00 N ATOM 1297 CA LEU A 32 2.272 8.382 30.339 1.00 0.00 C ATOM 1298 C LEU A 32 2.844 7.972 28.987 1.00 0.00 C ATOM 1299 O LEU A 32 3.155 8.820 28.173 1.00 0.00 O ATOM 1300 CB LEU A 32 0.746 8.367 30.211 1.00 0.00 C ATOM 1301 CG LEU A 32 0.081 8.833 31.506 1.00 0.00 C ATOM 1302 CD1 LEU A 32 -1.437 8.744 31.334 1.00 0.00 C ATOM 1303 CD2 LEU A 32 0.523 7.951 32.685 1.00 0.00 C ATOM 0 H LEU A 32 2.588 10.446 29.902 1.00 0.00 H new ATOM 0 HA LEU A 32 2.578 7.710 31.141 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.441 9.014 29.388 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.408 7.360 29.967 1.00 0.00 H new ATOM 0 HG LEU A 32 0.377 9.861 31.717 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.927 9.073 32.250 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.747 9.382 30.507 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.719 7.713 31.122 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.040 8.297 33.599 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.238 6.917 32.493 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.605 8.013 32.800 1.00 0.00 H new ATOM 1315 N CYS A 33 2.927 6.700 28.687 1.00 0.00 N ATOM 1316 CA CYS A 33 3.405 6.310 27.332 1.00 0.00 C ATOM 1317 C CYS A 33 2.168 6.286 26.435 1.00 0.00 C ATOM 1318 O CYS A 33 1.101 6.699 26.844 1.00 0.00 O ATOM 1319 CB CYS A 33 4.102 4.942 27.354 1.00 0.00 C ATOM 1320 SG CYS A 33 2.920 3.622 27.718 1.00 0.00 S ATOM 0 H CYS A 33 2.689 5.929 29.311 1.00 0.00 H new ATOM 0 HA CYS A 33 4.147 7.017 26.962 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.576 4.755 26.391 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.893 4.944 28.104 1.00 0.00 H new ATOM 0 HG CYS A 33 3.377 2.885 28.686 1.00 0.00 H new ATOM 1325 N ASN A 34 2.284 5.842 25.223 1.00 0.00 N ATOM 1326 CA ASN A 34 1.092 5.843 24.328 1.00 0.00 C ATOM 1327 C ASN A 34 0.027 4.832 24.771 1.00 0.00 C ATOM 1328 O ASN A 34 -1.153 5.111 24.717 1.00 0.00 O ATOM 1329 CB ASN A 34 1.549 5.520 22.904 1.00 0.00 C ATOM 1330 CG ASN A 34 2.127 6.781 22.275 1.00 0.00 C ATOM 1331 OD1 ASN A 34 3.223 6.767 21.761 1.00 0.00 O ATOM 1332 ND2 ASN A 34 1.428 7.882 22.315 1.00 0.00 N ATOM 0 H ASN A 34 3.143 5.480 24.810 1.00 0.00 H new ATOM 0 HA ASN A 34 0.634 6.831 24.375 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.298 4.728 22.919 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.710 5.154 22.312 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.804 8.740 21.911 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.505 7.885 22.750 1.00 0.00 H new ATOM 1339 N ALA A 35 0.413 3.663 25.190 1.00 0.00 N ATOM 1340 CA ALA A 35 -0.620 2.666 25.599 1.00 0.00 C ATOM 1341 C ALA A 35 -1.344 3.116 26.877 1.00 0.00 C ATOM 1342 O ALA A 35 -2.558 3.122 26.933 1.00 0.00 O ATOM 1343 CB ALA A 35 0.031 1.297 25.795 1.00 0.00 C ATOM 0 H ALA A 35 1.382 3.354 25.268 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.366 2.591 24.808 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.727 0.573 26.093 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.491 0.976 24.861 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.794 1.364 26.571 1.00 0.00 H new ATOM 1349 N CYS A 36 -0.627 3.477 27.909 1.00 0.00 N ATOM 1350 CA CYS A 36 -1.305 3.903 29.176 1.00 0.00 C ATOM 1351 C CYS A 36 -2.173 5.141 28.935 1.00 0.00 C ATOM 1352 O CYS A 36 -3.339 5.166 29.267 1.00 0.00 O ATOM 1353 CB CYS A 36 -0.264 4.241 30.244 1.00 0.00 C ATOM 1354 SG CYS A 36 0.739 2.786 30.613 1.00 0.00 S ATOM 0 H CYS A 36 0.393 3.496 27.933 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.932 3.078 29.513 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.374 5.054 29.897 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.760 4.590 31.150 1.00 0.00 H new ATOM 0 HG CYS A 36 1.695 2.684 29.738 1.00 0.00 H new ATOM 1359 N GLY A 37 -1.612 6.172 28.367 1.00 0.00 N ATOM 1360 CA GLY A 37 -2.411 7.405 28.117 1.00 0.00 C ATOM 1361 C GLY A 37 -3.642 7.069 27.274 1.00 0.00 C ATOM 1362 O GLY A 37 -4.750 7.449 27.598 1.00 0.00 O ATOM 0 H GLY A 37 -0.638 6.215 28.066 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.719 7.847 29.065 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.799 8.147 27.603 1.00 0.00 H new ATOM 1366 N LEU A 38 -3.461 6.366 26.193 1.00 0.00 N ATOM 1367 CA LEU A 38 -4.619 6.012 25.326 1.00 0.00 C ATOM 1368 C LEU A 38 -5.528 4.990 26.020 1.00 0.00 C ATOM 1369 O LEU A 38 -6.737 5.079 25.959 1.00 0.00 O ATOM 1370 CB LEU A 38 -4.071 5.419 24.025 1.00 0.00 C ATOM 1371 CG LEU A 38 -3.181 6.465 23.329 1.00 0.00 C ATOM 1372 CD1 LEU A 38 -2.352 5.812 22.214 1.00 0.00 C ATOM 1373 CD2 LEU A 38 -4.050 7.584 22.732 1.00 0.00 C ATOM 0 H LEU A 38 -2.557 6.020 25.871 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.212 6.904 25.124 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.496 4.517 24.236 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.892 5.128 23.370 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.505 6.888 24.072 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.729 6.567 21.734 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.717 5.035 22.640 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.020 5.369 21.475 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.411 8.319 22.242 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.740 7.159 22.003 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.616 8.069 23.527 1.00 0.00 H new ATOM 1385 N PHE A 39 -4.954 4.020 26.676 1.00 0.00 N ATOM 1386 CA PHE A 39 -5.778 2.984 27.366 1.00 0.00 C ATOM 1387 C PHE A 39 -6.415 3.542 28.644 1.00 0.00 C ATOM 1388 O PHE A 39 -7.583 3.347 28.907 1.00 0.00 O ATOM 1389 CB PHE A 39 -4.889 1.795 27.732 1.00 0.00 C ATOM 1390 CG PHE A 39 -5.747 0.677 28.277 1.00 0.00 C ATOM 1391 CD1 PHE A 39 -6.134 0.684 29.621 1.00 0.00 C ATOM 1392 CD2 PHE A 39 -6.158 -0.363 27.435 1.00 0.00 C ATOM 1393 CE1 PHE A 39 -6.933 -0.349 30.125 1.00 0.00 C ATOM 1394 CE2 PHE A 39 -6.956 -1.397 27.939 1.00 0.00 C ATOM 1395 CZ PHE A 39 -7.343 -1.390 29.284 1.00 0.00 C ATOM 0 H PHE A 39 -3.945 3.898 26.765 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.574 2.673 26.689 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.341 1.453 26.854 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.149 2.095 28.474 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.816 1.487 30.270 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.860 -0.368 26.397 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.233 -0.343 31.162 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.273 -2.200 27.290 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.958 -2.188 29.673 1.00 0.00 H new ATOM 1405 N LEU A 40 -5.645 4.198 29.461 1.00 0.00 N ATOM 1406 CA LEU A 40 -6.190 4.720 30.747 1.00 0.00 C ATOM 1407 C LEU A 40 -7.341 5.700 30.490 1.00 0.00 C ATOM 1408 O LEU A 40 -8.398 5.593 31.078 1.00 0.00 O ATOM 1409 CB LEU A 40 -5.068 5.431 31.509 1.00 0.00 C ATOM 1410 CG LEU A 40 -5.490 5.701 32.962 1.00 0.00 C ATOM 1411 CD1 LEU A 40 -5.310 4.437 33.818 1.00 0.00 C ATOM 1412 CD2 LEU A 40 -4.625 6.822 33.545 1.00 0.00 C ATOM 0 H LEU A 40 -4.658 4.397 29.296 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.574 3.887 31.336 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.166 4.819 31.494 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.824 6.371 31.014 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.540 5.993 32.971 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.613 4.646 34.844 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.926 3.633 33.414 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.263 4.134 33.804 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.924 7.014 34.575 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.577 6.523 33.521 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.757 7.728 32.954 1.00 0.00 H new ATOM 1424 N LYS A 41 -7.144 6.658 29.628 1.00 0.00 N ATOM 1425 CA LYS A 41 -8.225 7.648 29.346 1.00 0.00 C ATOM 1426 C LYS A 41 -9.471 6.938 28.806 1.00 0.00 C ATOM 1427 O LYS A 41 -10.587 7.250 29.174 1.00 0.00 O ATOM 1428 CB LYS A 41 -7.716 8.637 28.296 1.00 0.00 C ATOM 1429 CG LYS A 41 -8.715 9.789 28.132 1.00 0.00 C ATOM 1430 CD LYS A 41 -8.273 10.719 26.992 1.00 0.00 C ATOM 1431 CE LYS A 41 -7.221 11.716 27.490 1.00 0.00 C ATOM 1432 NZ LYS A 41 -7.847 12.646 28.471 1.00 0.00 N ATOM 0 H LYS A 41 -6.280 6.800 29.105 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.489 8.168 30.267 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.743 9.028 28.594 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.576 8.128 27.343 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.708 9.391 27.922 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.787 10.352 29.063 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.864 10.129 26.172 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.135 11.257 26.599 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.391 11.184 27.955 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.810 12.277 26.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.345 13.557 28.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.845 12.796 28.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.788 12.235 29.425 1.00 0.00 H new ATOM 1446 N LEU A 42 -9.284 6.005 27.915 1.00 0.00 N ATOM 1447 CA LEU A 42 -10.444 5.284 27.310 1.00 0.00 C ATOM 1448 C LEU A 42 -11.141 4.365 28.319 1.00 0.00 C ATOM 1449 O LEU A 42 -12.348 4.227 28.293 1.00 0.00 O ATOM 1450 CB LEU A 42 -9.959 4.438 26.127 1.00 0.00 C ATOM 1451 CG LEU A 42 -9.550 5.338 24.953 1.00 0.00 C ATOM 1452 CD1 LEU A 42 -8.847 4.480 23.896 1.00 0.00 C ATOM 1453 CD2 LEU A 42 -10.791 6.009 24.330 1.00 0.00 C ATOM 0 H LEU A 42 -8.370 5.707 27.575 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.161 6.036 26.982 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.112 3.824 26.434 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.749 3.756 25.812 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.879 6.118 25.313 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.551 5.108 23.056 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.962 4.017 24.333 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.527 3.703 23.547 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.483 6.644 23.499 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.475 5.242 23.967 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.293 6.616 25.083 1.00 0.00 H new ATOM 1465 N HIS A 43 -10.413 3.705 29.181 1.00 0.00 N ATOM 1466 CA HIS A 43 -11.076 2.769 30.143 1.00 0.00 C ATOM 1467 C HIS A 43 -11.391 3.485 31.461 1.00 0.00 C ATOM 1468 O HIS A 43 -12.377 3.186 32.106 1.00 0.00 O ATOM 1469 CB HIS A 43 -10.146 1.583 30.398 1.00 0.00 C ATOM 1470 CG HIS A 43 -9.786 0.948 29.083 1.00 0.00 C ATOM 1471 ND1 HIS A 43 -8.977 1.581 28.155 1.00 0.00 N ATOM 1472 CD2 HIS A 43 -10.111 -0.267 28.530 1.00 0.00 C ATOM 1473 CE1 HIS A 43 -8.841 0.756 27.103 1.00 0.00 C ATOM 1474 NE2 HIS A 43 -9.512 -0.386 27.278 1.00 0.00 N ATOM 0 H HIS A 43 -9.398 3.770 29.262 1.00 0.00 H new ATOM 0 HA HIS A 43 -12.015 2.417 29.716 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -9.245 1.916 30.914 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.634 0.855 31.046 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.559 2.507 28.252 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.735 -1.015 28.995 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.260 0.988 26.223 1.00 0.00 H new ATOM 1482 N GLY A 44 -10.601 4.445 31.859 1.00 0.00 N ATOM 1483 CA GLY A 44 -10.905 5.185 33.120 1.00 0.00 C ATOM 1484 C GLY A 44 -10.774 4.278 34.349 1.00 0.00 C ATOM 1485 O GLY A 44 -11.358 4.550 35.379 1.00 0.00 O ATOM 0 H GLY A 44 -9.760 4.749 31.368 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.227 6.033 33.218 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.916 5.590 33.071 1.00 0.00 H new ATOM 1489 N VAL A 45 -10.030 3.204 34.258 1.00 0.00 N ATOM 1490 CA VAL A 45 -9.879 2.279 35.430 1.00 0.00 C ATOM 1491 C VAL A 45 -8.404 1.950 35.667 1.00 0.00 C ATOM 1492 O VAL A 45 -7.573 2.105 34.794 1.00 0.00 O ATOM 1493 CB VAL A 45 -10.653 0.991 35.153 1.00 0.00 C ATOM 1494 CG1 VAL A 45 -12.131 1.330 34.953 1.00 0.00 C ATOM 1495 CG2 VAL A 45 -10.102 0.328 33.885 1.00 0.00 C ATOM 0 H VAL A 45 -9.518 2.925 33.421 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.273 2.767 36.322 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.544 0.306 35.994 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.690 0.416 34.755 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.520 1.806 35.853 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.237 2.011 34.108 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.653 -0.591 33.686 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.214 1.008 33.041 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.047 0.095 34.026 1.00 0.00 H new ATOM 1505 N VAL A 46 -8.071 1.504 36.852 1.00 0.00 N ATOM 1506 CA VAL A 46 -6.650 1.172 37.150 1.00 0.00 C ATOM 1507 C VAL A 46 -6.115 0.208 36.092 1.00 0.00 C ATOM 1508 O VAL A 46 -6.210 -0.997 36.206 1.00 0.00 O ATOM 1509 CB VAL A 46 -6.524 0.530 38.532 1.00 0.00 C ATOM 1510 CG1 VAL A 46 -6.556 1.613 39.614 1.00 0.00 C ATOM 1511 CG2 VAL A 46 -7.677 -0.450 38.766 1.00 0.00 C ATOM 0 H VAL A 46 -8.722 1.357 37.623 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.069 2.094 37.137 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.578 -0.008 38.581 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.466 1.149 40.596 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.727 2.304 39.462 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.498 2.158 39.555 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.577 -0.901 39.753 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.626 0.083 38.705 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.651 -1.231 38.006 1.00 0.00 H new ATOM 1521 N ARG A 47 -5.558 0.758 35.064 1.00 0.00 N ATOM 1522 CA ARG A 47 -5.005 -0.061 33.950 1.00 0.00 C ATOM 1523 C ARG A 47 -4.064 -1.149 34.500 1.00 0.00 C ATOM 1524 O ARG A 47 -2.977 -0.843 34.946 1.00 0.00 O ATOM 1525 CB ARG A 47 -4.218 0.878 33.029 1.00 0.00 C ATOM 1526 CG ARG A 47 -3.407 0.068 32.011 1.00 0.00 C ATOM 1527 CD ARG A 47 -2.796 1.000 30.959 1.00 0.00 C ATOM 1528 NE ARG A 47 -2.511 0.216 29.719 1.00 0.00 N ATOM 1529 CZ ARG A 47 -1.852 -0.911 29.769 1.00 0.00 C ATOM 1530 NH1 ARG A 47 -1.194 -1.251 30.844 1.00 0.00 N ATOM 1531 NH2 ARG A 47 -1.790 -1.670 28.713 1.00 0.00 N ATOM 0 H ARG A 47 -5.457 1.765 34.940 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.814 -0.551 33.408 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.904 1.547 32.509 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.550 1.504 33.621 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.617 -0.484 32.521 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.049 -0.668 31.527 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.481 1.818 30.738 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.878 1.448 31.340 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.837 0.567 28.818 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.191 -0.634 31.656 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.683 -2.133 30.872 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.255 -1.384 27.851 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.277 -2.551 28.747 1.00 0.00 H new ATOM 1545 N PRO A 48 -4.437 -2.411 34.444 1.00 0.00 N ATOM 1546 CA PRO A 48 -3.544 -3.505 34.923 1.00 0.00 C ATOM 1547 C PRO A 48 -2.153 -3.377 34.293 1.00 0.00 C ATOM 1548 O PRO A 48 -1.929 -3.779 33.168 1.00 0.00 O ATOM 1549 CB PRO A 48 -4.248 -4.790 34.465 1.00 0.00 C ATOM 1550 CG PRO A 48 -5.691 -4.418 34.351 1.00 0.00 C ATOM 1551 CD PRO A 48 -5.718 -2.943 33.939 1.00 0.00 C ATOM 0 HA PRO A 48 -3.387 -3.484 36.001 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.853 -5.138 33.511 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -4.104 -5.597 35.183 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.196 -5.039 33.611 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -6.208 -4.567 35.299 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.799 -2.831 32.858 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.568 -2.421 34.378 1.00 0.00 H new ATOM 1559 N LEU A 49 -1.224 -2.805 35.006 1.00 0.00 N ATOM 1560 CA LEU A 49 0.145 -2.629 34.447 1.00 0.00 C ATOM 1561 C LEU A 49 0.739 -3.998 34.096 1.00 0.00 C ATOM 1562 O LEU A 49 1.765 -4.092 33.451 1.00 0.00 O ATOM 1563 CB LEU A 49 1.033 -1.931 35.481 1.00 0.00 C ATOM 1564 CG LEU A 49 0.364 -0.639 35.976 1.00 0.00 C ATOM 1565 CD1 LEU A 49 1.275 0.036 37.009 1.00 0.00 C ATOM 1566 CD2 LEU A 49 0.127 0.321 34.800 1.00 0.00 C ATOM 0 H LEU A 49 -1.354 -2.451 35.954 1.00 0.00 H new ATOM 0 HA LEU A 49 0.092 -2.019 33.545 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.216 -2.599 36.323 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.003 -1.700 35.040 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.596 -0.885 36.430 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.805 0.953 37.364 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.434 -0.639 37.850 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.234 0.274 36.548 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.347 1.232 35.164 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.081 0.569 34.335 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.521 -0.157 34.065 1.00 0.00 H new ATOM 1578 N SER A 50 0.104 -5.061 34.512 1.00 0.00 N ATOM 1579 CA SER A 50 0.632 -6.423 34.201 1.00 0.00 C ATOM 1580 C SER A 50 0.694 -6.628 32.684 1.00 0.00 C ATOM 1581 O SER A 50 1.302 -7.563 32.202 1.00 0.00 O ATOM 1582 CB SER A 50 -0.293 -7.482 34.803 1.00 0.00 C ATOM 1583 OG SER A 50 0.142 -8.769 34.388 1.00 0.00 O ATOM 0 H SER A 50 -0.759 -5.046 35.055 1.00 0.00 H new ATOM 0 HA SER A 50 1.632 -6.516 34.624 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.284 -7.415 35.891 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.320 -7.311 34.482 1.00 0.00 H new ATOM 0 HG SER A 50 0.528 -8.710 33.489 1.00 0.00 H new ATOM 1589 N LEU A 51 0.049 -5.781 31.931 1.00 0.00 N ATOM 1590 CA LEU A 51 0.047 -5.950 30.450 1.00 0.00 C ATOM 1591 C LEU A 51 1.358 -5.419 29.864 1.00 0.00 C ATOM 1592 O LEU A 51 1.641 -5.600 28.697 1.00 0.00 O ATOM 1593 CB LEU A 51 -1.131 -5.169 29.860 1.00 0.00 C ATOM 1594 CG LEU A 51 -2.448 -5.666 30.466 1.00 0.00 C ATOM 1595 CD1 LEU A 51 -3.574 -4.700 30.090 1.00 0.00 C ATOM 1596 CD2 LEU A 51 -2.789 -7.067 29.938 1.00 0.00 C ATOM 0 H LEU A 51 -0.477 -4.979 32.277 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.049 -7.008 30.204 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.008 -4.105 30.060 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.152 -5.290 28.777 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.340 -5.713 31.550 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.513 -5.050 30.519 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.346 -3.707 30.477 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.666 -4.654 29.005 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.727 -7.404 30.379 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.890 -7.032 28.853 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.992 -7.761 30.206 1.00 0.00 H new ATOM 1608 N LYS A 52 2.156 -4.756 30.656 1.00 0.00 N ATOM 1609 CA LYS A 52 3.441 -4.206 30.133 1.00 0.00 C ATOM 1610 C LYS A 52 4.245 -5.303 29.422 1.00 0.00 C ATOM 1611 O LYS A 52 4.333 -6.425 29.878 1.00 0.00 O ATOM 1612 CB LYS A 52 4.241 -3.639 31.316 1.00 0.00 C ATOM 1613 CG LYS A 52 5.690 -3.301 30.928 1.00 0.00 C ATOM 1614 CD LYS A 52 5.734 -2.251 29.812 1.00 0.00 C ATOM 1615 CE LYS A 52 7.189 -1.943 29.457 1.00 0.00 C ATOM 1616 NZ LYS A 52 7.946 -3.217 29.308 1.00 0.00 N ATOM 0 H LYS A 52 1.975 -4.571 31.643 1.00 0.00 H new ATOM 0 HA LYS A 52 3.239 -3.418 29.408 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.748 -2.741 31.689 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.244 -4.363 32.131 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.226 -2.930 31.801 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.202 -4.206 30.600 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.204 -2.617 28.933 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.227 -1.341 30.134 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.235 -1.370 28.531 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.642 -1.328 30.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.680 -3.101 28.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.392 -3.464 30.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.295 -3.977 29.025 1.00 0.00 H new ATOM 1630 N THR A 53 4.853 -4.962 28.313 1.00 0.00 N ATOM 1631 CA THR A 53 5.685 -5.946 27.554 1.00 0.00 C ATOM 1632 C THR A 53 6.849 -5.225 26.880 1.00 0.00 C ATOM 1633 O THR A 53 6.786 -4.045 26.597 1.00 0.00 O ATOM 1634 CB THR A 53 4.853 -6.616 26.464 1.00 0.00 C ATOM 1635 OG1 THR A 53 5.724 -7.251 25.538 1.00 0.00 O ATOM 1636 CG2 THR A 53 4.015 -5.560 25.745 1.00 0.00 C ATOM 0 H THR A 53 4.808 -4.032 27.896 1.00 0.00 H new ATOM 0 HA THR A 53 6.052 -6.695 28.256 1.00 0.00 H new ATOM 0 HB THR A 53 4.190 -7.359 26.908 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.195 -7.685 24.836 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.420 -6.036 24.966 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.353 -5.072 26.460 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.674 -4.817 25.295 1.00 0.00 H new ATOM 1644 N ASP A 54 7.916 -5.928 26.627 1.00 0.00 N ATOM 1645 CA ASP A 54 9.102 -5.295 25.975 1.00 0.00 C ATOM 1646 C ASP A 54 8.999 -5.411 24.450 1.00 0.00 C ATOM 1647 O ASP A 54 9.805 -4.856 23.730 1.00 0.00 O ATOM 1648 CB ASP A 54 10.371 -6.004 26.453 1.00 0.00 C ATOM 1649 CG ASP A 54 10.648 -5.628 27.911 1.00 0.00 C ATOM 1650 OD1 ASP A 54 10.234 -4.554 28.313 1.00 0.00 O ATOM 1651 OD2 ASP A 54 11.274 -6.418 28.599 1.00 0.00 O ATOM 0 H ASP A 54 8.021 -6.919 26.844 1.00 0.00 H new ATOM 0 HA ASP A 54 9.137 -4.240 26.245 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.254 -7.084 26.361 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.217 -5.721 25.826 1.00 0.00 H new ATOM 1656 N VAL A 55 8.025 -6.129 23.948 1.00 0.00 N ATOM 1657 CA VAL A 55 7.872 -6.289 22.466 1.00 0.00 C ATOM 1658 C VAL A 55 6.612 -5.550 21.994 1.00 0.00 C ATOM 1659 O VAL A 55 5.529 -5.768 22.501 1.00 0.00 O ATOM 1660 CB VAL A 55 7.750 -7.781 22.146 1.00 0.00 C ATOM 1661 CG1 VAL A 55 7.547 -7.973 20.642 1.00 0.00 C ATOM 1662 CG2 VAL A 55 9.035 -8.495 22.574 1.00 0.00 C ATOM 0 H VAL A 55 7.323 -6.616 24.505 1.00 0.00 H new ATOM 0 HA VAL A 55 8.738 -5.870 21.954 1.00 0.00 H new ATOM 0 HB VAL A 55 6.897 -8.196 22.683 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.461 -9.037 20.419 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.636 -7.462 20.330 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.399 -7.558 20.104 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.953 -9.558 22.348 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.883 -8.074 22.034 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.185 -8.362 23.645 1.00 0.00 H new ATOM 1672 N ILE A 56 6.754 -4.673 21.028 1.00 0.00 N ATOM 1673 CA ILE A 56 5.586 -3.894 20.500 1.00 0.00 C ATOM 1674 C ILE A 56 5.415 -4.180 19.002 1.00 0.00 C ATOM 1675 O ILE A 56 6.372 -4.212 18.254 1.00 0.00 O ATOM 1676 CB ILE A 56 5.847 -2.401 20.725 1.00 0.00 C ATOM 1677 CG1 ILE A 56 5.948 -2.132 22.230 1.00 0.00 C ATOM 1678 CG2 ILE A 56 4.697 -1.575 20.140 1.00 0.00 C ATOM 1679 CD1 ILE A 56 6.541 -0.743 22.469 1.00 0.00 C ATOM 0 H ILE A 56 7.643 -4.460 20.576 1.00 0.00 H new ATOM 0 HA ILE A 56 4.674 -4.187 21.020 1.00 0.00 H new ATOM 0 HB ILE A 56 6.777 -2.119 20.232 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.961 -2.200 22.688 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.572 -2.890 22.703 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.890 -0.515 20.304 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.618 -1.768 19.070 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.763 -1.854 20.629 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.611 -0.557 23.541 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.536 -0.691 22.026 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.900 0.010 22.011 1.00 0.00 H new ATOM 1691 N LYS A 57 4.203 -4.399 18.557 1.00 0.00 N ATOM 1692 CA LYS A 57 3.976 -4.695 17.110 1.00 0.00 C ATOM 1693 C LYS A 57 4.080 -3.403 16.290 1.00 0.00 C ATOM 1694 O LYS A 57 3.395 -2.433 16.546 1.00 0.00 O ATOM 1695 CB LYS A 57 2.583 -5.318 16.932 1.00 0.00 C ATOM 1696 CG LYS A 57 2.297 -5.644 15.456 1.00 0.00 C ATOM 1697 CD LYS A 57 3.202 -6.781 14.969 1.00 0.00 C ATOM 1698 CE LYS A 57 2.652 -7.342 13.655 1.00 0.00 C ATOM 1699 NZ LYS A 57 2.306 -6.215 12.741 1.00 0.00 N ATOM 0 H LYS A 57 3.361 -4.386 19.133 1.00 0.00 H new ATOM 0 HA LYS A 57 4.734 -5.395 16.759 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.511 -6.228 17.527 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.825 -4.631 17.308 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.251 -5.928 15.337 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.458 -4.756 14.844 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.218 -6.415 14.824 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.252 -7.569 15.721 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.392 -7.991 13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.770 -7.952 13.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.045 -6.593 11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.505 -5.682 13.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.127 -5.584 12.642 1.00 0.00 H new ATOM 1713 N LYS A 58 4.929 -3.398 15.296 1.00 0.00 N ATOM 1714 CA LYS A 58 5.088 -2.190 14.435 1.00 0.00 C ATOM 1715 C LYS A 58 4.092 -2.252 13.275 1.00 0.00 C ATOM 1716 O LYS A 58 3.914 -3.286 12.659 1.00 0.00 O ATOM 1717 CB LYS A 58 6.507 -2.153 13.868 1.00 0.00 C ATOM 1718 CG LYS A 58 7.500 -1.857 14.991 1.00 0.00 C ATOM 1719 CD LYS A 58 8.932 -2.008 14.466 1.00 0.00 C ATOM 1720 CE LYS A 58 9.210 -0.956 13.388 1.00 0.00 C ATOM 1721 NZ LYS A 58 10.682 -0.775 13.243 1.00 0.00 N ATOM 0 H LYS A 58 5.524 -4.187 15.042 1.00 0.00 H new ATOM 0 HA LYS A 58 4.903 -1.297 15.032 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.747 -3.107 13.399 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.580 -1.390 13.093 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.346 -0.847 15.369 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.334 -2.539 15.825 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.642 -1.897 15.286 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.074 -3.008 14.055 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.775 -1.268 12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.741 -0.010 13.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.874 -0.061 12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.084 -0.459 14.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.117 -1.678 12.967 1.00 0.00 H new ATOM 1735 N ARG A 59 3.442 -1.161 12.965 1.00 0.00 N ATOM 1736 CA ARG A 59 2.458 -1.164 11.840 1.00 0.00 C ATOM 1737 C ARG A 59 3.113 -0.574 10.592 1.00 0.00 C ATOM 1738 O ARG A 59 4.176 0.013 10.647 1.00 0.00 O ATOM 1739 CB ARG A 59 1.246 -0.309 12.211 1.00 0.00 C ATOM 1740 CG ARG A 59 0.637 -0.800 13.527 1.00 0.00 C ATOM 1741 CD ARG A 59 0.186 -2.258 13.397 1.00 0.00 C ATOM 1742 NE ARG A 59 -0.423 -2.485 12.055 1.00 0.00 N ATOM 1743 CZ ARG A 59 -0.619 -3.704 11.632 1.00 0.00 C ATOM 1744 NH1 ARG A 59 -0.323 -4.710 12.408 1.00 0.00 N ATOM 1745 NH2 ARG A 59 -1.115 -3.918 10.444 1.00 0.00 N ATOM 0 H ARG A 59 3.550 -0.266 13.443 1.00 0.00 H new ATOM 0 HA ARG A 59 2.140 -2.188 11.647 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.544 0.735 12.307 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.501 -0.357 11.417 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.369 -0.710 14.330 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.212 -0.173 13.798 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.037 -2.925 13.537 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.536 -2.495 14.178 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.685 -1.691 11.470 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.059 -4.541 13.339 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.474 -5.665 12.084 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.352 -3.130 9.841 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.266 -4.873 10.119 1.00 0.00 H new ATOM 1759 N ASN A 60 2.487 -0.745 9.463 1.00 0.00 N ATOM 1760 CA ASN A 60 3.058 -0.222 8.192 1.00 0.00 C ATOM 1761 C ASN A 60 2.880 1.295 8.126 1.00 0.00 C ATOM 1762 O ASN A 60 2.569 1.941 9.108 1.00 0.00 O ATOM 1763 CB ASN A 60 2.331 -0.867 7.011 1.00 0.00 C ATOM 1764 CG ASN A 60 0.877 -0.390 6.987 1.00 0.00 C ATOM 1765 OD1 ASN A 60 0.402 0.187 7.946 1.00 0.00 O ATOM 1766 ND2 ASN A 60 0.146 -0.604 5.928 1.00 0.00 N ATOM 0 H ASN A 60 1.595 -1.230 9.365 1.00 0.00 H new ATOM 0 HA ASN A 60 4.121 -0.461 8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.827 -0.604 6.077 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.368 -1.953 7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.823 -0.287 5.905 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.544 -1.088 5.123 1.00 0.00 H new