USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=17 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 12 CYS SG : rot 160:sc= -1.02! USER MOD Set 1.2: A 15 CYS SG : rot -63:sc= -2.58! USER MOD Set 1.3: A 20 THR OG1 : rot 95:sc= -0.322 USER MOD Set 1.4: A 33 CYS SG : rot 99:sc= 0.37 USER MOD Set 1.5: A 34 ASN : amide:sc= -1.67! C(o=-5.3!,f=-16!) USER MOD Set 1.6: A 36 CYS SG : rot 155:sc= -0.109 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 ASN : amide:sc= -3.17! C(o=-3.2!,f=-5.8!) USER MOD Single : A 10 THR OG1 : rot 34:sc= 0.0454 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.0034) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.4!) USER MOD Single : A 30 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.1) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= -0.179 (180deg=-1.02) USER MOD Single : A 43 HIS : no HE2:sc= -4.86! C(o=-4.9!,f=-12!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= -0.0581 (180deg=-0.12) USER MOD Single : A 53 THR OG1 : rot -118:sc= 0.881 USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0955) USER MOD Single : A 58 LYS NZ :NH3+ -161:sc=-0.000522 (180deg=-0.32) USER MOD Single : A 60 ASN : amide:sc= -0.747 K(o=-0.75,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 955 N THR A 10 12.397 12.215 30.661 1.00 0.00 N ATOM 956 CA THR A 10 10.947 11.875 30.681 1.00 0.00 C ATOM 957 C THR A 10 10.790 10.368 30.871 1.00 0.00 C ATOM 958 O THR A 10 11.400 9.575 30.181 1.00 0.00 O ATOM 959 CB THR A 10 10.288 12.291 29.364 1.00 0.00 C ATOM 960 OG1 THR A 10 10.351 13.703 29.231 1.00 0.00 O ATOM 961 CG2 THR A 10 8.825 11.839 29.359 1.00 0.00 C ATOM 0 HA THR A 10 10.466 12.408 31.501 1.00 0.00 H new ATOM 0 HB THR A 10 10.812 11.824 28.530 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.178 14.034 29.641 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.356 12.135 28.421 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.779 10.755 29.461 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.297 12.305 30.191 1.00 0.00 H new ATOM 969 N THR A 11 9.977 9.972 31.814 1.00 0.00 N ATOM 970 CA THR A 11 9.764 8.521 32.082 1.00 0.00 C ATOM 971 C THR A 11 8.276 8.271 32.330 1.00 0.00 C ATOM 972 O THR A 11 7.591 9.087 32.914 1.00 0.00 O ATOM 973 CB THR A 11 10.559 8.124 33.329 1.00 0.00 C ATOM 974 OG1 THR A 11 11.920 8.495 33.158 1.00 0.00 O ATOM 975 CG2 THR A 11 10.467 6.612 33.551 1.00 0.00 C ATOM 0 H THR A 11 9.446 10.600 32.417 1.00 0.00 H new ATOM 0 HA THR A 11 10.097 7.931 31.228 1.00 0.00 H new ATOM 0 HB THR A 11 10.143 8.637 34.196 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.430 8.243 33.956 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.036 6.340 34.440 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.424 6.327 33.686 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.876 6.092 32.685 1.00 0.00 H new ATOM 983 N CYS A 12 7.774 7.146 31.904 1.00 0.00 N ATOM 984 CA CYS A 12 6.336 6.848 32.135 1.00 0.00 C ATOM 985 C CYS A 12 6.143 6.534 33.618 1.00 0.00 C ATOM 986 O CYS A 12 6.549 5.496 34.103 1.00 0.00 O ATOM 987 CB CYS A 12 5.925 5.646 31.287 1.00 0.00 C ATOM 988 SG CYS A 12 4.131 5.669 31.080 1.00 0.00 S ATOM 0 H CYS A 12 8.296 6.423 31.408 1.00 0.00 H new ATOM 0 HA CYS A 12 5.719 7.702 31.855 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.418 5.683 30.315 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.238 4.719 31.768 1.00 0.00 H new ATOM 0 HG CYS A 12 3.804 4.950 30.047 1.00 0.00 H new ATOM 993 N THR A 13 5.507 7.418 34.332 1.00 0.00 N ATOM 994 CA THR A 13 5.284 7.190 35.786 1.00 0.00 C ATOM 995 C THR A 13 4.314 6.027 35.983 1.00 0.00 C ATOM 996 O THR A 13 4.104 5.567 37.088 1.00 0.00 O ATOM 997 CB THR A 13 4.701 8.454 36.423 1.00 0.00 C ATOM 998 OG1 THR A 13 3.541 8.852 35.706 1.00 0.00 O ATOM 999 CG2 THR A 13 5.739 9.578 36.385 1.00 0.00 C ATOM 0 H THR A 13 5.130 8.294 33.969 1.00 0.00 H new ATOM 0 HA THR A 13 6.236 6.951 36.260 1.00 0.00 H new ATOM 0 HB THR A 13 4.435 8.247 37.460 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.166 9.660 36.114 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.320 10.476 36.839 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.627 9.272 36.938 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.010 9.788 35.350 1.00 0.00 H new ATOM 1007 N ASN A 14 3.702 5.563 34.926 1.00 0.00 N ATOM 1008 CA ASN A 14 2.721 4.444 35.061 1.00 0.00 C ATOM 1009 C ASN A 14 3.366 3.092 34.734 1.00 0.00 C ATOM 1010 O ASN A 14 3.065 2.109 35.382 1.00 0.00 O ATOM 1011 CB ASN A 14 1.549 4.687 34.104 1.00 0.00 C ATOM 1012 CG ASN A 14 0.634 5.768 34.680 1.00 0.00 C ATOM 1013 OD1 ASN A 14 1.096 6.806 35.111 1.00 0.00 O ATOM 1014 ND2 ASN A 14 -0.655 5.567 34.704 1.00 0.00 N ATOM 0 H ASN A 14 3.838 5.909 33.976 1.00 0.00 H new ATOM 0 HA ASN A 14 2.373 4.415 36.094 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.922 4.994 33.127 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.989 3.763 33.956 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.276 6.281 35.085 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.042 4.695 34.342 1.00 0.00 H new ATOM 1021 N CYS A 15 4.211 3.003 33.729 1.00 0.00 N ATOM 1022 CA CYS A 15 4.815 1.669 33.378 1.00 0.00 C ATOM 1023 C CYS A 15 6.346 1.751 33.326 1.00 0.00 C ATOM 1024 O CYS A 15 7.011 0.765 33.078 1.00 0.00 O ATOM 1025 CB CYS A 15 4.243 1.182 32.038 1.00 0.00 C ATOM 1026 SG CYS A 15 4.986 2.074 30.652 1.00 0.00 S ATOM 0 H CYS A 15 4.506 3.784 33.143 1.00 0.00 H new ATOM 0 HA CYS A 15 4.556 0.950 34.155 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.427 0.113 31.927 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.162 1.322 32.028 1.00 0.00 H new ATOM 0 HG CYS A 15 4.678 3.334 30.732 1.00 0.00 H new ATOM 1031 N PHE A 16 6.909 2.897 33.605 1.00 0.00 N ATOM 1032 CA PHE A 16 8.398 3.046 33.635 1.00 0.00 C ATOM 1033 C PHE A 16 9.059 2.755 32.283 1.00 0.00 C ATOM 1034 O PHE A 16 10.269 2.776 32.180 1.00 0.00 O ATOM 1035 CB PHE A 16 8.984 2.092 34.679 1.00 0.00 C ATOM 1036 CG PHE A 16 8.197 2.212 35.961 1.00 0.00 C ATOM 1037 CD1 PHE A 16 8.310 3.366 36.745 1.00 0.00 C ATOM 1038 CD2 PHE A 16 7.351 1.171 36.365 1.00 0.00 C ATOM 1039 CE1 PHE A 16 7.578 3.481 37.931 1.00 0.00 C ATOM 1040 CE2 PHE A 16 6.618 1.286 37.552 1.00 0.00 C ATOM 1041 CZ PHE A 16 6.731 2.441 38.335 1.00 0.00 C ATOM 0 H PHE A 16 6.393 3.751 33.817 1.00 0.00 H new ATOM 0 HA PHE A 16 8.604 4.086 33.886 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.949 1.066 34.312 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.032 2.330 34.859 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.963 4.168 36.434 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.264 0.280 35.761 1.00 0.00 H new ATOM 0 HE1 PHE A 16 7.666 4.372 38.535 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.965 0.484 37.864 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.165 2.530 39.251 1.00 0.00 H new ATOM 1051 N THR A 17 8.319 2.468 31.249 1.00 0.00 N ATOM 1052 CA THR A 17 8.996 2.169 29.955 1.00 0.00 C ATOM 1053 C THR A 17 9.726 3.422 29.460 1.00 0.00 C ATOM 1054 O THR A 17 9.192 4.514 29.477 1.00 0.00 O ATOM 1055 CB THR A 17 7.962 1.715 28.920 1.00 0.00 C ATOM 1056 OG1 THR A 17 8.638 1.178 27.792 1.00 0.00 O ATOM 1057 CG2 THR A 17 7.096 2.899 28.482 1.00 0.00 C ATOM 0 H THR A 17 7.300 2.428 31.240 1.00 0.00 H new ATOM 0 HA THR A 17 9.721 1.368 30.100 1.00 0.00 H new ATOM 0 HB THR A 17 7.319 0.955 29.364 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.981 0.884 27.127 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.365 2.563 27.746 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.577 3.310 29.348 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.729 3.668 28.040 1.00 0.00 H new ATOM 1065 N GLN A 18 10.959 3.273 29.043 1.00 0.00 N ATOM 1066 CA GLN A 18 11.753 4.449 28.575 1.00 0.00 C ATOM 1067 C GLN A 18 11.698 4.551 27.047 1.00 0.00 C ATOM 1068 O GLN A 18 12.059 5.561 26.477 1.00 0.00 O ATOM 1069 CB GLN A 18 13.210 4.257 29.007 1.00 0.00 C ATOM 1070 CG GLN A 18 13.981 5.568 28.843 1.00 0.00 C ATOM 1071 CD GLN A 18 15.369 5.420 29.470 1.00 0.00 C ATOM 1072 OE1 GLN A 18 16.364 5.754 28.858 1.00 0.00 O ATOM 1073 NE2 GLN A 18 15.478 4.930 30.675 1.00 0.00 N ATOM 0 H GLN A 18 11.452 2.381 29.007 1.00 0.00 H new ATOM 0 HA GLN A 18 11.340 5.360 29.008 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.250 3.930 30.046 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.676 3.474 28.408 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.072 5.820 27.786 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.439 6.384 29.320 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.643 4.650 31.189 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.398 4.828 31.103 1.00 0.00 H new ATOM 1082 N THR A 19 11.249 3.519 26.381 1.00 0.00 N ATOM 1083 CA THR A 19 11.170 3.556 24.888 1.00 0.00 C ATOM 1084 C THR A 19 9.710 3.754 24.472 1.00 0.00 C ATOM 1085 O THR A 19 8.835 3.017 24.878 1.00 0.00 O ATOM 1086 CB THR A 19 11.696 2.232 24.326 1.00 0.00 C ATOM 1087 OG1 THR A 19 13.013 2.008 24.812 1.00 0.00 O ATOM 1088 CG2 THR A 19 11.722 2.291 22.799 1.00 0.00 C ATOM 0 H THR A 19 10.932 2.648 26.808 1.00 0.00 H new ATOM 0 HA THR A 19 11.772 4.377 24.499 1.00 0.00 H new ATOM 0 HB THR A 19 11.042 1.419 24.642 1.00 0.00 H new ATOM 0 HG1 THR A 19 13.353 1.161 24.456 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.097 1.347 22.405 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.713 2.466 22.424 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.374 3.103 22.477 1.00 0.00 H new ATOM 1096 N THR A 20 9.439 4.745 23.665 1.00 0.00 N ATOM 1097 CA THR A 20 8.032 4.981 23.231 1.00 0.00 C ATOM 1098 C THR A 20 8.012 5.923 22.015 1.00 0.00 C ATOM 1099 O THR A 20 8.823 6.822 21.922 1.00 0.00 O ATOM 1100 CB THR A 20 7.256 5.618 24.387 1.00 0.00 C ATOM 1101 OG1 THR A 20 5.959 5.987 23.941 1.00 0.00 O ATOM 1102 CG2 THR A 20 8.000 6.859 24.887 1.00 0.00 C ATOM 0 H THR A 20 10.127 5.398 23.290 1.00 0.00 H new ATOM 0 HA THR A 20 7.571 4.033 22.953 1.00 0.00 H new ATOM 0 HB THR A 20 7.169 4.900 25.202 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.324 5.272 24.156 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.445 7.309 25.710 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.993 6.573 25.233 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.093 7.580 24.074 1.00 0.00 H new ATOM 1110 N PRO A 21 7.092 5.739 21.095 1.00 0.00 N ATOM 1111 CA PRO A 21 6.984 6.611 19.884 1.00 0.00 C ATOM 1112 C PRO A 21 6.325 7.960 20.192 1.00 0.00 C ATOM 1113 O PRO A 21 6.464 8.910 19.448 1.00 0.00 O ATOM 1114 CB PRO A 21 6.094 5.789 18.949 1.00 0.00 C ATOM 1115 CG PRO A 21 5.192 5.047 19.875 1.00 0.00 C ATOM 1116 CD PRO A 21 6.056 4.687 21.085 1.00 0.00 C ATOM 0 HA PRO A 21 7.961 6.860 19.469 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.531 6.428 18.269 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.682 5.109 18.333 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.341 5.661 20.169 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.791 4.152 19.399 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.475 4.687 22.007 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.494 3.694 20.984 1.00 0.00 H new ATOM 1124 N LEU A 22 5.586 8.046 21.266 1.00 0.00 N ATOM 1125 CA LEU A 22 4.898 9.329 21.589 1.00 0.00 C ATOM 1126 C LEU A 22 4.668 9.441 23.096 1.00 0.00 C ATOM 1127 O LEU A 22 4.023 8.615 23.711 1.00 0.00 O ATOM 1128 CB LEU A 22 3.560 9.357 20.841 1.00 0.00 C ATOM 1129 CG LEU A 22 2.679 10.529 21.292 1.00 0.00 C ATOM 1130 CD1 LEU A 22 3.389 11.861 21.055 1.00 0.00 C ATOM 1131 CD2 LEU A 22 1.397 10.502 20.466 1.00 0.00 C ATOM 0 H LEU A 22 5.430 7.288 21.930 1.00 0.00 H new ATOM 0 HA LEU A 22 5.515 10.173 21.280 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.744 9.432 19.769 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.031 8.419 21.008 1.00 0.00 H new ATOM 0 HG LEU A 22 2.466 10.432 22.357 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.747 12.679 21.382 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.320 11.883 21.621 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.607 11.973 19.993 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.752 11.327 20.768 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.643 10.602 19.409 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.878 9.557 20.630 1.00 0.00 H new ATOM 1143 N TRP A 23 5.192 10.481 23.682 1.00 0.00 N ATOM 1144 CA TRP A 23 5.012 10.686 25.146 1.00 0.00 C ATOM 1145 C TRP A 23 3.635 11.307 25.376 1.00 0.00 C ATOM 1146 O TRP A 23 3.310 12.342 24.829 1.00 0.00 O ATOM 1147 CB TRP A 23 6.101 11.624 25.680 1.00 0.00 C ATOM 1148 CG TRP A 23 7.377 10.865 25.867 1.00 0.00 C ATOM 1149 CD1 TRP A 23 8.490 11.014 25.115 1.00 0.00 C ATOM 1150 CD2 TRP A 23 7.684 9.841 26.856 1.00 0.00 C ATOM 1151 NE1 TRP A 23 9.464 10.151 25.584 1.00 0.00 N ATOM 1152 CE2 TRP A 23 9.015 9.404 26.654 1.00 0.00 C ATOM 1153 CE3 TRP A 23 6.945 9.256 27.899 1.00 0.00 C ATOM 1154 CZ2 TRP A 23 9.592 8.420 27.462 1.00 0.00 C ATOM 1155 CZ3 TRP A 23 7.521 8.267 28.710 1.00 0.00 C ATOM 1156 CH2 TRP A 23 8.840 7.849 28.493 1.00 0.00 C ATOM 0 H TRP A 23 5.739 11.200 23.208 1.00 0.00 H new ATOM 0 HA TRP A 23 5.088 9.733 25.670 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.256 12.449 24.985 1.00 0.00 H new ATOM 0 HB3 TRP A 23 5.785 12.061 26.627 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.601 11.695 24.284 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.401 10.076 25.187 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.927 9.570 28.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 10.610 8.103 27.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.943 7.825 29.508 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.276 7.086 29.121 1.00 0.00 H new ATOM 1167 N ARG A 24 2.817 10.669 26.173 1.00 0.00 N ATOM 1168 CA ARG A 24 1.446 11.193 26.442 1.00 0.00 C ATOM 1169 C ARG A 24 1.420 11.836 27.830 1.00 0.00 C ATOM 1170 O ARG A 24 2.378 11.759 28.576 1.00 0.00 O ATOM 1171 CB ARG A 24 0.441 10.032 26.386 1.00 0.00 C ATOM 1172 CG ARG A 24 0.458 9.363 25.003 1.00 0.00 C ATOM 1173 CD ARG A 24 -0.345 10.204 24.003 1.00 0.00 C ATOM 1174 NE ARG A 24 -0.438 9.495 22.693 1.00 0.00 N ATOM 1175 CZ ARG A 24 -1.300 9.908 21.802 1.00 0.00 C ATOM 1176 NH1 ARG A 24 -2.102 10.893 22.093 1.00 0.00 N ATOM 1177 NH2 ARG A 24 -1.359 9.344 20.624 1.00 0.00 N ATOM 0 H ARG A 24 3.044 9.798 26.653 1.00 0.00 H new ATOM 0 HA ARG A 24 1.177 11.938 25.693 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.684 9.297 27.154 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.561 10.401 26.604 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.485 9.253 24.656 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.035 8.361 25.070 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.345 10.392 24.395 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.132 11.174 23.867 1.00 0.00 H new ATOM 0 HE ARG A 24 0.165 8.696 22.495 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.054 11.336 23.011 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.778 11.221 21.403 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.729 8.575 20.394 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.035 9.673 19.934 1.00 0.00 H new ATOM 1191 N ARG A 25 0.337 12.483 28.179 1.00 0.00 N ATOM 1192 CA ARG A 25 0.236 13.149 29.516 1.00 0.00 C ATOM 1193 C ARG A 25 -1.102 12.794 30.164 1.00 0.00 C ATOM 1194 O ARG A 25 -2.100 12.609 29.496 1.00 0.00 O ATOM 1195 CB ARG A 25 0.329 14.667 29.340 1.00 0.00 C ATOM 1196 CG ARG A 25 1.754 15.040 28.929 1.00 0.00 C ATOM 1197 CD ARG A 25 1.867 16.554 28.749 1.00 0.00 C ATOM 1198 NE ARG A 25 3.263 16.887 28.351 1.00 0.00 N ATOM 1199 CZ ARG A 25 3.543 18.059 27.852 1.00 0.00 C ATOM 1200 NH1 ARG A 25 2.604 18.954 27.709 1.00 0.00 N ATOM 1201 NH2 ARG A 25 4.769 18.337 27.498 1.00 0.00 N ATOM 0 H ARG A 25 -0.490 12.580 27.590 1.00 0.00 H new ATOM 0 HA ARG A 25 1.051 12.806 30.153 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.380 15.001 28.582 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.063 15.170 30.270 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.460 14.702 29.687 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.017 14.534 28.000 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.166 16.897 27.988 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.607 17.065 29.676 1.00 0.00 H new ATOM 0 HE ARG A 25 4.003 16.195 28.469 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.647 18.738 27.988 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.827 19.869 27.318 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.504 17.639 27.612 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.992 19.252 27.107 1.00 0.00 H new ATOM 1215 N ASN A 26 -1.125 12.692 31.465 1.00 0.00 N ATOM 1216 CA ASN A 26 -2.390 12.341 32.172 1.00 0.00 C ATOM 1217 C ASN A 26 -3.172 13.630 32.476 1.00 0.00 C ATOM 1218 O ASN A 26 -2.583 14.619 32.849 1.00 0.00 O ATOM 1219 CB ASN A 26 -2.036 11.647 33.492 1.00 0.00 C ATOM 1220 CG ASN A 26 -3.239 10.853 34.002 1.00 0.00 C ATOM 1221 OD1 ASN A 26 -3.571 9.816 33.463 1.00 0.00 O ATOM 1222 ND2 ASN A 26 -3.914 11.305 35.023 1.00 0.00 N ATOM 0 H ASN A 26 -0.318 12.837 32.072 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.996 11.682 31.551 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.185 10.981 33.346 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.737 12.388 34.234 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.722 10.788 35.370 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.634 12.176 35.474 1.00 0.00 H new ATOM 1229 N PRO A 27 -4.476 13.639 32.339 1.00 0.00 N ATOM 1230 CA PRO A 27 -5.282 14.855 32.644 1.00 0.00 C ATOM 1231 C PRO A 27 -4.811 15.559 33.928 1.00 0.00 C ATOM 1232 O PRO A 27 -5.141 16.704 34.170 1.00 0.00 O ATOM 1233 CB PRO A 27 -6.706 14.309 32.817 1.00 0.00 C ATOM 1234 CG PRO A 27 -6.762 13.067 31.980 1.00 0.00 C ATOM 1235 CD PRO A 27 -5.326 12.527 31.875 1.00 0.00 C ATOM 0 HA PRO A 27 -5.197 15.608 31.861 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.917 14.087 33.863 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.448 15.037 32.489 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.420 12.326 32.434 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.164 13.287 30.991 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.190 11.639 32.493 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.083 12.243 30.851 1.00 0.00 H new ATOM 1243 N GLU A 28 -4.047 14.884 34.755 1.00 0.00 N ATOM 1244 CA GLU A 28 -3.557 15.508 36.026 1.00 0.00 C ATOM 1245 C GLU A 28 -2.110 15.989 35.852 1.00 0.00 C ATOM 1246 O GLU A 28 -1.474 16.428 36.789 1.00 0.00 O ATOM 1247 CB GLU A 28 -3.627 14.479 37.158 1.00 0.00 C ATOM 1248 CG GLU A 28 -5.091 14.203 37.509 1.00 0.00 C ATOM 1249 CD GLU A 28 -5.164 13.142 38.610 1.00 0.00 C ATOM 1250 OE1 GLU A 28 -4.119 12.647 38.999 1.00 0.00 O ATOM 1251 OE2 GLU A 28 -6.266 12.840 39.041 1.00 0.00 O ATOM 0 H GLU A 28 -3.741 13.923 34.603 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.186 16.363 36.272 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.135 13.555 36.855 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.096 14.850 38.034 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.575 15.121 37.842 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.629 13.862 36.625 1.00 0.00 H new ATOM 1258 N GLY A 29 -1.594 15.922 34.655 1.00 0.00 N ATOM 1259 CA GLY A 29 -0.197 16.386 34.397 1.00 0.00 C ATOM 1260 C GLY A 29 0.834 15.292 34.702 1.00 0.00 C ATOM 1261 O GLY A 29 2.012 15.569 34.817 1.00 0.00 O ATOM 0 H GLY A 29 -2.084 15.562 33.836 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.103 16.693 33.355 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.013 17.264 35.009 1.00 0.00 H new ATOM 1265 N GLN A 30 0.428 14.056 34.823 1.00 0.00 N ATOM 1266 CA GLN A 30 1.420 12.971 35.107 1.00 0.00 C ATOM 1267 C GLN A 30 1.899 12.351 33.777 1.00 0.00 C ATOM 1268 O GLN A 30 1.115 11.741 33.080 1.00 0.00 O ATOM 1269 CB GLN A 30 0.747 11.880 35.943 1.00 0.00 C ATOM 1270 CG GLN A 30 0.045 12.505 37.153 1.00 0.00 C ATOM 1271 CD GLN A 30 1.053 13.298 37.989 1.00 0.00 C ATOM 1272 OE1 GLN A 30 0.823 14.448 38.307 1.00 0.00 O ATOM 1273 NE2 GLN A 30 2.165 12.729 38.369 1.00 0.00 N ATOM 0 H GLN A 30 -0.541 13.749 34.739 1.00 0.00 H new ATOM 0 HA GLN A 30 2.269 13.389 35.648 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.025 11.337 35.334 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.490 11.156 36.277 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.759 13.161 36.819 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.412 11.725 37.762 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.361 11.764 38.104 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.838 13.250 38.931 1.00 0.00 H new ATOM 1282 N PRO A 31 3.159 12.488 33.413 1.00 0.00 N ATOM 1283 CA PRO A 31 3.699 11.908 32.138 1.00 0.00 C ATOM 1284 C PRO A 31 3.320 10.438 31.904 1.00 0.00 C ATOM 1285 O PRO A 31 3.431 9.611 32.785 1.00 0.00 O ATOM 1286 CB PRO A 31 5.218 12.018 32.313 1.00 0.00 C ATOM 1287 CG PRO A 31 5.413 13.203 33.195 1.00 0.00 C ATOM 1288 CD PRO A 31 4.213 13.220 34.147 1.00 0.00 C ATOM 0 HA PRO A 31 3.291 12.438 31.277 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.631 11.116 32.765 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.718 12.152 31.354 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.349 13.128 33.748 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.461 14.122 32.610 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.449 12.735 35.094 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.903 14.239 34.379 1.00 0.00 H new ATOM 1296 N LEU A 32 2.915 10.111 30.700 1.00 0.00 N ATOM 1297 CA LEU A 32 2.555 8.700 30.350 1.00 0.00 C ATOM 1298 C LEU A 32 3.232 8.353 29.019 1.00 0.00 C ATOM 1299 O LEU A 32 3.545 9.235 28.244 1.00 0.00 O ATOM 1300 CB LEU A 32 1.037 8.577 30.174 1.00 0.00 C ATOM 1301 CG LEU A 32 0.304 8.891 31.478 1.00 0.00 C ATOM 1302 CD1 LEU A 32 -1.202 8.781 31.234 1.00 0.00 C ATOM 1303 CD2 LEU A 32 0.714 7.900 32.579 1.00 0.00 C ATOM 0 H LEU A 32 2.817 10.775 29.932 1.00 0.00 H new ATOM 0 HA LEU A 32 2.881 8.027 31.143 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.702 9.258 29.392 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.786 7.568 29.846 1.00 0.00 H new ATOM 0 HG LEU A 32 0.564 9.899 31.802 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.737 9.003 32.157 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.499 9.492 30.463 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.445 7.770 30.908 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.182 8.139 33.500 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.463 6.886 32.268 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.788 7.971 32.751 1.00 0.00 H new ATOM 1315 N CYS A 33 3.435 7.095 28.705 1.00 0.00 N ATOM 1316 CA CYS A 33 4.055 6.769 27.384 1.00 0.00 C ATOM 1317 C CYS A 33 2.952 6.746 26.324 1.00 0.00 C ATOM 1318 O CYS A 33 2.060 7.569 26.331 1.00 0.00 O ATOM 1319 CB CYS A 33 4.776 5.413 27.424 1.00 0.00 C ATOM 1320 SG CYS A 33 3.608 4.072 27.751 1.00 0.00 S ATOM 0 H CYS A 33 3.203 6.295 29.294 1.00 0.00 H new ATOM 0 HA CYS A 33 4.799 7.528 27.142 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.282 5.237 26.475 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.545 5.428 28.197 1.00 0.00 H new ATOM 0 HG CYS A 33 3.285 3.495 26.632 1.00 0.00 H new ATOM 1325 N ASN A 34 3.003 5.821 25.408 1.00 0.00 N ATOM 1326 CA ASN A 34 1.953 5.766 24.351 1.00 0.00 C ATOM 1327 C ASN A 34 0.686 5.063 24.858 1.00 0.00 C ATOM 1328 O ASN A 34 -0.359 5.668 24.991 1.00 0.00 O ATOM 1329 CB ASN A 34 2.501 5.019 23.133 1.00 0.00 C ATOM 1330 CG ASN A 34 3.171 3.717 23.581 1.00 0.00 C ATOM 1331 OD1 ASN A 34 3.679 3.627 24.681 1.00 0.00 O ATOM 1332 ND2 ASN A 34 3.197 2.698 22.767 1.00 0.00 N ATOM 0 H ASN A 34 3.724 5.102 25.344 1.00 0.00 H new ATOM 0 HA ASN A 34 1.687 6.787 24.078 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.693 4.801 22.435 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.219 5.645 22.604 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.643 1.827 23.054 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.771 2.772 21.843 1.00 0.00 H new ATOM 1339 N ALA A 35 0.758 3.778 25.081 1.00 0.00 N ATOM 1340 CA ALA A 35 -0.443 2.995 25.510 1.00 0.00 C ATOM 1341 C ALA A 35 -1.004 3.418 26.877 1.00 0.00 C ATOM 1342 O ALA A 35 -2.197 3.356 27.094 1.00 0.00 O ATOM 1343 CB ALA A 35 -0.070 1.514 25.558 1.00 0.00 C ATOM 0 H ALA A 35 1.611 3.227 24.983 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.228 3.192 24.780 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.936 0.930 25.869 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.251 1.187 24.569 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.742 1.366 26.270 1.00 0.00 H new ATOM 1349 N CYS A 36 -0.189 3.812 27.816 1.00 0.00 N ATOM 1350 CA CYS A 36 -0.746 4.183 29.154 1.00 0.00 C ATOM 1351 C CYS A 36 -1.782 5.306 29.013 1.00 0.00 C ATOM 1352 O CYS A 36 -2.903 5.188 29.467 1.00 0.00 O ATOM 1353 CB CYS A 36 0.384 4.646 30.072 1.00 0.00 C ATOM 1354 SG CYS A 36 1.380 3.228 30.598 1.00 0.00 S ATOM 0 H CYS A 36 0.823 3.894 27.721 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.232 3.307 29.583 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.013 5.369 29.552 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.030 5.153 30.944 1.00 0.00 H new ATOM 0 HG CYS A 36 2.577 3.629 30.906 1.00 0.00 H new ATOM 1359 N GLY A 37 -1.421 6.389 28.384 1.00 0.00 N ATOM 1360 CA GLY A 37 -2.391 7.509 28.211 1.00 0.00 C ATOM 1361 C GLY A 37 -3.528 7.094 27.274 1.00 0.00 C ATOM 1362 O GLY A 37 -4.674 7.439 27.487 1.00 0.00 O ATOM 0 H GLY A 37 -0.497 6.548 27.982 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.798 7.798 29.180 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.879 8.382 27.807 1.00 0.00 H new ATOM 1366 N LEU A 38 -3.225 6.376 26.228 1.00 0.00 N ATOM 1367 CA LEU A 38 -4.289 5.963 25.265 1.00 0.00 C ATOM 1368 C LEU A 38 -5.241 4.923 25.873 1.00 0.00 C ATOM 1369 O LEU A 38 -6.435 4.968 25.657 1.00 0.00 O ATOM 1370 CB LEU A 38 -3.619 5.360 24.028 1.00 0.00 C ATOM 1371 CG LEU A 38 -2.849 6.445 23.258 1.00 0.00 C ATOM 1372 CD1 LEU A 38 -1.901 5.779 22.256 1.00 0.00 C ATOM 1373 CD2 LEU A 38 -3.824 7.354 22.494 1.00 0.00 C ATOM 0 H LEU A 38 -2.285 6.056 25.997 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.877 6.844 25.007 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.938 4.563 24.327 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.372 4.910 23.381 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.283 7.046 23.970 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.353 6.546 21.708 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.196 5.142 22.790 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.478 5.175 21.556 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.263 8.117 21.954 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.399 6.757 21.786 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.503 7.834 23.199 1.00 0.00 H new ATOM 1385 N PHE A 39 -4.731 3.981 26.620 1.00 0.00 N ATOM 1386 CA PHE A 39 -5.627 2.942 27.215 1.00 0.00 C ATOM 1387 C PHE A 39 -6.363 3.491 28.439 1.00 0.00 C ATOM 1388 O PHE A 39 -7.542 3.260 28.623 1.00 0.00 O ATOM 1389 CB PHE A 39 -4.808 1.723 27.637 1.00 0.00 C ATOM 1390 CG PHE A 39 -5.737 0.660 28.178 1.00 0.00 C ATOM 1391 CD1 PHE A 39 -6.112 0.677 29.527 1.00 0.00 C ATOM 1392 CD2 PHE A 39 -6.225 -0.344 27.331 1.00 0.00 C ATOM 1393 CE1 PHE A 39 -6.973 -0.307 30.029 1.00 0.00 C ATOM 1394 CE2 PHE A 39 -7.085 -1.328 27.834 1.00 0.00 C ATOM 1395 CZ PHE A 39 -7.458 -1.310 29.183 1.00 0.00 C ATOM 0 H PHE A 39 -3.741 3.884 26.844 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.357 2.656 26.458 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.248 1.334 26.786 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.079 2.006 28.396 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.737 1.450 30.181 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.938 -0.359 26.290 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.263 -0.291 31.069 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.461 -2.101 27.181 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.120 -2.070 29.571 1.00 0.00 H new ATOM 1405 N LEU A 40 -5.665 4.176 29.300 1.00 0.00 N ATOM 1406 CA LEU A 40 -6.304 4.696 30.543 1.00 0.00 C ATOM 1407 C LEU A 40 -7.416 5.699 30.203 1.00 0.00 C ATOM 1408 O LEU A 40 -8.535 5.568 30.660 1.00 0.00 O ATOM 1409 CB LEU A 40 -5.217 5.367 31.396 1.00 0.00 C ATOM 1410 CG LEU A 40 -5.652 5.472 32.870 1.00 0.00 C ATOM 1411 CD1 LEU A 40 -5.403 4.143 33.601 1.00 0.00 C ATOM 1412 CD2 LEU A 40 -4.839 6.565 33.574 1.00 0.00 C ATOM 0 H LEU A 40 -4.675 4.400 29.197 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.760 3.875 31.096 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.292 4.795 31.327 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.006 6.362 31.004 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.715 5.712 32.894 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.716 4.236 34.641 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.975 3.350 33.119 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.341 3.900 33.562 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.150 6.636 34.616 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.779 6.316 33.528 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.009 7.521 33.079 1.00 0.00 H new ATOM 1424 N LYS A 41 -7.127 6.700 29.418 1.00 0.00 N ATOM 1425 CA LYS A 41 -8.177 7.703 29.069 1.00 0.00 C ATOM 1426 C LYS A 41 -9.355 7.036 28.347 1.00 0.00 C ATOM 1427 O LYS A 41 -10.504 7.321 28.619 1.00 0.00 O ATOM 1428 CB LYS A 41 -7.575 8.779 28.159 1.00 0.00 C ATOM 1429 CG LYS A 41 -8.612 9.878 27.909 1.00 0.00 C ATOM 1430 CD LYS A 41 -8.013 10.955 27.002 1.00 0.00 C ATOM 1431 CE LYS A 41 -9.047 12.059 26.774 1.00 0.00 C ATOM 1432 NZ LYS A 41 -10.339 11.448 26.350 1.00 0.00 N ATOM 0 H LYS A 41 -6.211 6.868 29.003 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.542 8.152 29.993 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.684 9.204 28.621 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.263 8.337 27.213 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.502 9.453 27.446 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.925 10.319 28.856 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.115 11.371 27.458 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.714 10.519 26.049 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.187 12.635 27.688 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.693 12.753 26.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.910 12.157 25.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.152 10.643 25.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.858 11.117 27.188 1.00 0.00 H new ATOM 1446 N LEU A 42 -9.073 6.190 27.395 1.00 0.00 N ATOM 1447 CA LEU A 42 -10.168 5.549 26.608 1.00 0.00 C ATOM 1448 C LEU A 42 -10.990 4.577 27.458 1.00 0.00 C ATOM 1449 O LEU A 42 -12.176 4.425 27.238 1.00 0.00 O ATOM 1450 CB LEU A 42 -9.567 4.787 25.422 1.00 0.00 C ATOM 1451 CG LEU A 42 -8.962 5.762 24.402 1.00 0.00 C ATOM 1452 CD1 LEU A 42 -8.262 4.957 23.304 1.00 0.00 C ATOM 1453 CD2 LEU A 42 -10.059 6.641 23.775 1.00 0.00 C ATOM 0 H LEU A 42 -8.129 5.913 27.126 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.831 6.341 26.260 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.798 4.100 25.776 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.338 4.183 24.943 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.247 6.411 24.908 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.828 5.639 22.573 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.473 4.349 23.746 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.986 4.309 22.810 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.610 7.325 23.055 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.787 6.008 23.268 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.558 7.214 24.557 1.00 0.00 H new ATOM 1465 N HIS A 43 -10.396 3.902 28.409 1.00 0.00 N ATOM 1466 CA HIS A 43 -11.185 2.930 29.231 1.00 0.00 C ATOM 1467 C HIS A 43 -11.604 3.579 30.555 1.00 0.00 C ATOM 1468 O HIS A 43 -12.554 3.153 31.182 1.00 0.00 O ATOM 1469 CB HIS A 43 -10.336 1.686 29.491 1.00 0.00 C ATOM 1470 CG HIS A 43 -9.919 1.097 28.170 1.00 0.00 C ATOM 1471 ND1 HIS A 43 -8.762 1.489 27.517 1.00 0.00 N ATOM 1472 CD2 HIS A 43 -10.505 0.155 27.360 1.00 0.00 C ATOM 1473 CE1 HIS A 43 -8.690 0.796 26.366 1.00 0.00 C ATOM 1474 NE2 HIS A 43 -9.727 -0.032 26.221 1.00 0.00 N ATOM 0 H HIS A 43 -9.408 3.979 28.652 1.00 0.00 H new ATOM 0 HA HIS A 43 -12.087 2.642 28.690 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -9.458 1.946 30.082 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.904 0.956 30.067 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.087 2.178 27.849 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.429 -0.362 27.574 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.891 0.897 25.647 1.00 0.00 H new ATOM 1482 N GLY A 44 -10.942 4.625 30.972 1.00 0.00 N ATOM 1483 CA GLY A 44 -11.344 5.312 32.236 1.00 0.00 C ATOM 1484 C GLY A 44 -11.130 4.399 33.447 1.00 0.00 C ATOM 1485 O GLY A 44 -11.623 4.668 34.525 1.00 0.00 O ATOM 0 H GLY A 44 -10.140 5.034 30.493 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.763 6.226 32.358 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.392 5.605 32.178 1.00 0.00 H new ATOM 1489 N VAL A 45 -10.410 3.321 33.279 1.00 0.00 N ATOM 1490 CA VAL A 45 -10.164 2.378 34.414 1.00 0.00 C ATOM 1491 C VAL A 45 -8.672 2.044 34.472 1.00 0.00 C ATOM 1492 O VAL A 45 -7.943 2.244 33.521 1.00 0.00 O ATOM 1493 CB VAL A 45 -10.962 1.094 34.184 1.00 0.00 C ATOM 1494 CG1 VAL A 45 -12.455 1.432 34.109 1.00 0.00 C ATOM 1495 CG2 VAL A 45 -10.502 0.434 32.874 1.00 0.00 C ATOM 0 H VAL A 45 -9.977 3.050 32.396 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.475 2.838 35.352 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.794 0.401 35.008 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.027 0.519 33.945 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.771 1.895 35.044 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.631 2.123 33.285 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.070 -0.481 32.709 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.669 1.119 32.043 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.440 0.195 32.940 1.00 0.00 H new ATOM 1505 N VAL A 46 -8.212 1.535 35.581 1.00 0.00 N ATOM 1506 CA VAL A 46 -6.769 1.188 35.697 1.00 0.00 C ATOM 1507 C VAL A 46 -6.354 0.335 34.496 1.00 0.00 C ATOM 1508 O VAL A 46 -7.176 -0.287 33.853 1.00 0.00 O ATOM 1509 CB VAL A 46 -6.533 0.401 36.989 1.00 0.00 C ATOM 1510 CG1 VAL A 46 -6.733 1.325 38.191 1.00 0.00 C ATOM 1511 CG2 VAL A 46 -7.523 -0.765 37.071 1.00 0.00 C ATOM 0 H VAL A 46 -8.773 1.345 36.411 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.176 2.102 35.718 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.515 0.011 36.994 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.565 0.766 39.112 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.026 2.153 38.135 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.750 1.716 38.184 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.352 -1.323 37.992 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.542 -0.378 37.065 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.380 -1.425 36.215 1.00 0.00 H new ATOM 1521 N ARG A 47 -5.082 0.305 34.186 1.00 0.00 N ATOM 1522 CA ARG A 47 -4.590 -0.501 33.026 1.00 0.00 C ATOM 1523 C ARG A 47 -3.838 -1.733 33.549 1.00 0.00 C ATOM 1524 O ARG A 47 -2.991 -1.605 34.411 1.00 0.00 O ATOM 1525 CB ARG A 47 -3.621 0.353 32.199 1.00 0.00 C ATOM 1526 CG ARG A 47 -3.124 -0.426 30.970 1.00 0.00 C ATOM 1527 CD ARG A 47 -1.897 0.273 30.385 1.00 0.00 C ATOM 1528 NE ARG A 47 -1.358 -0.537 29.256 1.00 0.00 N ATOM 1529 CZ ARG A 47 -0.471 -0.020 28.451 1.00 0.00 C ATOM 1530 NH1 ARG A 47 -0.024 1.187 28.668 1.00 0.00 N ATOM 1531 NH2 ARG A 47 -0.022 -0.713 27.440 1.00 0.00 N ATOM 0 H ARG A 47 -4.355 0.810 34.693 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.434 -0.813 32.411 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.118 1.269 31.879 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.772 0.649 32.816 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.873 -1.449 31.251 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.913 -0.486 30.221 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.165 1.270 30.036 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.135 0.398 31.154 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.682 -1.494 29.113 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.368 1.723 29.465 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.670 1.594 28.041 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.365 -1.660 27.279 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.671 -0.307 26.811 1.00 0.00 H new ATOM 1545 N PRO A 48 -4.095 -2.915 33.033 1.00 0.00 N ATOM 1546 CA PRO A 48 -3.357 -4.123 33.491 1.00 0.00 C ATOM 1547 C PRO A 48 -1.878 -3.994 33.113 1.00 0.00 C ATOM 1548 O PRO A 48 -1.441 -4.471 32.084 1.00 0.00 O ATOM 1549 CB PRO A 48 -4.035 -5.294 32.762 1.00 0.00 C ATOM 1550 CG PRO A 48 -4.754 -4.685 31.597 1.00 0.00 C ATOM 1551 CD PRO A 48 -5.079 -3.239 31.983 1.00 0.00 C ATOM 0 HA PRO A 48 -3.387 -4.264 34.571 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.300 -6.026 32.429 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -4.729 -5.816 33.421 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -4.134 -4.716 30.701 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.665 -5.239 31.373 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.986 -2.568 31.129 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.100 -3.145 32.352 1.00 0.00 H new ATOM 1559 N LEU A 49 -1.117 -3.326 33.934 1.00 0.00 N ATOM 1560 CA LEU A 49 0.328 -3.127 33.629 1.00 0.00 C ATOM 1561 C LEU A 49 0.979 -4.479 33.340 1.00 0.00 C ATOM 1562 O LEU A 49 2.116 -4.553 32.914 1.00 0.00 O ATOM 1563 CB LEU A 49 1.018 -2.464 34.825 1.00 0.00 C ATOM 1564 CG LEU A 49 0.239 -1.217 35.262 1.00 0.00 C ATOM 1565 CD1 LEU A 49 1.041 -0.476 36.334 1.00 0.00 C ATOM 1566 CD2 LEU A 49 0.005 -0.288 34.063 1.00 0.00 C ATOM 0 H LEU A 49 -1.435 -2.907 34.808 1.00 0.00 H new ATOM 0 HA LEU A 49 0.430 -2.484 32.755 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.083 -3.170 35.653 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.039 -2.189 34.559 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.728 -1.521 35.664 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.493 0.412 36.649 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.195 -1.131 37.191 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.007 -0.180 35.926 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.549 0.593 34.388 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.965 0.020 33.648 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.567 -0.816 33.300 1.00 0.00 H new ATOM 1578 N SER A 50 0.266 -5.549 33.556 1.00 0.00 N ATOM 1579 CA SER A 50 0.842 -6.895 33.283 1.00 0.00 C ATOM 1580 C SER A 50 1.216 -6.977 31.800 1.00 0.00 C ATOM 1581 O SER A 50 1.956 -7.846 31.380 1.00 0.00 O ATOM 1582 CB SER A 50 -0.199 -7.967 33.605 1.00 0.00 C ATOM 1583 OG SER A 50 -1.167 -8.005 32.565 1.00 0.00 O ATOM 0 H SER A 50 -0.691 -5.550 33.910 1.00 0.00 H new ATOM 0 HA SER A 50 1.726 -7.055 33.900 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.282 -8.940 33.706 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.680 -7.749 34.558 1.00 0.00 H new ATOM 0 HG SER A 50 -1.836 -8.692 32.766 1.00 0.00 H new ATOM 1589 N LEU A 51 0.719 -6.065 31.010 1.00 0.00 N ATOM 1590 CA LEU A 51 1.043 -6.062 29.554 1.00 0.00 C ATOM 1591 C LEU A 51 2.377 -5.338 29.352 1.00 0.00 C ATOM 1592 O LEU A 51 2.753 -4.995 28.249 1.00 0.00 O ATOM 1593 CB LEU A 51 -0.058 -5.324 28.784 1.00 0.00 C ATOM 1594 CG LEU A 51 -1.404 -6.037 28.967 1.00 0.00 C ATOM 1595 CD1 LEU A 51 -2.523 -5.135 28.438 1.00 0.00 C ATOM 1596 CD2 LEU A 51 -1.420 -7.362 28.193 1.00 0.00 C ATOM 0 H LEU A 51 0.097 -5.315 31.313 1.00 0.00 H new ATOM 0 HA LEU A 51 1.112 -7.086 29.186 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.132 -4.296 29.138 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.197 -5.279 27.725 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.553 -6.245 30.027 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.483 -5.635 28.564 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.526 -4.196 28.992 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.357 -4.931 27.380 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.382 -7.854 28.334 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.265 -7.166 27.132 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.624 -8.009 28.562 1.00 0.00 H new ATOM 1608 N LYS A 52 3.094 -5.113 30.419 1.00 0.00 N ATOM 1609 CA LYS A 52 4.409 -4.422 30.307 1.00 0.00 C ATOM 1610 C LYS A 52 5.320 -5.220 29.376 1.00 0.00 C ATOM 1611 O LYS A 52 5.602 -6.380 29.600 1.00 0.00 O ATOM 1612 CB LYS A 52 5.034 -4.316 31.700 1.00 0.00 C ATOM 1613 CG LYS A 52 6.476 -3.797 31.635 1.00 0.00 C ATOM 1614 CD LYS A 52 6.521 -2.423 30.961 1.00 0.00 C ATOM 1615 CE LYS A 52 7.869 -1.759 31.256 1.00 0.00 C ATOM 1616 NZ LYS A 52 8.974 -2.616 30.741 1.00 0.00 N ATOM 0 H LYS A 52 2.824 -5.379 31.366 1.00 0.00 H new ATOM 0 HA LYS A 52 4.276 -3.421 29.897 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.434 -3.648 32.318 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.020 -5.294 32.181 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.890 -3.729 32.641 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.098 -4.501 31.081 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.382 -2.528 29.885 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.707 -1.798 31.328 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.911 -0.775 30.789 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.983 -1.607 32.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.882 -2.124 30.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.991 -3.514 31.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.822 -2.809 29.730 1.00 0.00 H new ATOM 1630 N THR A 53 5.786 -4.592 28.334 1.00 0.00 N ATOM 1631 CA THR A 53 6.692 -5.285 27.370 1.00 0.00 C ATOM 1632 C THR A 53 7.713 -4.299 26.820 1.00 0.00 C ATOM 1633 O THR A 53 7.431 -3.136 26.616 1.00 0.00 O ATOM 1634 CB THR A 53 5.888 -5.851 26.203 1.00 0.00 C ATOM 1635 OG1 THR A 53 6.778 -6.252 25.171 1.00 0.00 O ATOM 1636 CG2 THR A 53 4.930 -4.784 25.670 1.00 0.00 C ATOM 0 H THR A 53 5.578 -3.620 28.105 1.00 0.00 H new ATOM 0 HA THR A 53 7.198 -6.095 27.895 1.00 0.00 H new ATOM 0 HB THR A 53 5.311 -6.711 26.542 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.596 -5.730 24.361 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.358 -5.192 24.837 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.248 -4.478 26.463 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.501 -3.920 25.329 1.00 0.00 H new ATOM 1644 N ASP A 54 8.899 -4.766 26.570 1.00 0.00 N ATOM 1645 CA ASP A 54 9.960 -3.875 26.018 1.00 0.00 C ATOM 1646 C ASP A 54 9.968 -4.003 24.496 1.00 0.00 C ATOM 1647 O ASP A 54 10.739 -3.362 23.808 1.00 0.00 O ATOM 1648 CB ASP A 54 11.318 -4.292 26.584 1.00 0.00 C ATOM 1649 CG ASP A 54 11.372 -3.939 28.071 1.00 0.00 C ATOM 1650 OD1 ASP A 54 10.589 -3.101 28.488 1.00 0.00 O ATOM 1651 OD2 ASP A 54 12.194 -4.512 28.766 1.00 0.00 O ATOM 0 H ASP A 54 9.185 -5.733 26.724 1.00 0.00 H new ATOM 0 HA ASP A 54 9.763 -2.840 26.296 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.470 -5.363 26.446 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.120 -3.785 26.048 1.00 0.00 H new ATOM 1656 N VAL A 55 9.106 -4.834 23.971 1.00 0.00 N ATOM 1657 CA VAL A 55 9.025 -5.037 22.494 1.00 0.00 C ATOM 1658 C VAL A 55 7.688 -4.506 21.984 1.00 0.00 C ATOM 1659 O VAL A 55 6.642 -4.835 22.507 1.00 0.00 O ATOM 1660 CB VAL A 55 9.111 -6.534 22.200 1.00 0.00 C ATOM 1661 CG1 VAL A 55 9.006 -6.770 20.691 1.00 0.00 C ATOM 1662 CG2 VAL A 55 10.451 -7.070 22.709 1.00 0.00 C ATOM 0 H VAL A 55 8.444 -5.390 24.513 1.00 0.00 H new ATOM 0 HA VAL A 55 9.841 -4.509 22.001 1.00 0.00 H new ATOM 0 HB VAL A 55 8.293 -7.052 22.702 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.068 -7.839 20.485 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.053 -6.385 20.328 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.822 -6.255 20.185 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.518 -8.138 22.502 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.266 -6.551 22.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.525 -6.903 23.784 1.00 0.00 H new ATOM 1672 N ILE A 56 7.718 -3.696 20.958 1.00 0.00 N ATOM 1673 CA ILE A 56 6.459 -3.136 20.379 1.00 0.00 C ATOM 1674 C ILE A 56 6.346 -3.567 18.919 1.00 0.00 C ATOM 1675 O ILE A 56 7.285 -3.468 18.155 1.00 0.00 O ATOM 1676 CB ILE A 56 6.478 -1.610 20.476 1.00 0.00 C ATOM 1677 CG1 ILE A 56 6.553 -1.205 21.951 1.00 0.00 C ATOM 1678 CG2 ILE A 56 5.199 -1.048 19.852 1.00 0.00 C ATOM 1679 CD1 ILE A 56 6.805 0.300 22.066 1.00 0.00 C ATOM 0 H ILE A 56 8.573 -3.394 20.490 1.00 0.00 H new ATOM 0 HA ILE A 56 5.600 -3.511 20.935 1.00 0.00 H new ATOM 0 HB ILE A 56 7.343 -1.214 19.944 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.623 -1.467 22.457 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.352 -1.755 22.448 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.209 0.040 19.919 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.143 -1.346 18.805 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.332 -1.437 20.386 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.857 0.581 23.118 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.746 0.550 21.577 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.991 0.843 21.585 1.00 0.00 H new ATOM 1691 N LYS A 57 5.202 -4.055 18.528 1.00 0.00 N ATOM 1692 CA LYS A 57 5.023 -4.504 17.119 1.00 0.00 C ATOM 1693 C LYS A 57 5.045 -3.283 16.194 1.00 0.00 C ATOM 1694 O LYS A 57 4.278 -2.356 16.357 1.00 0.00 O ATOM 1695 CB LYS A 57 3.685 -5.242 17.004 1.00 0.00 C ATOM 1696 CG LYS A 57 3.492 -5.771 15.581 1.00 0.00 C ATOM 1697 CD LYS A 57 2.155 -6.513 15.500 1.00 0.00 C ATOM 1698 CE LYS A 57 1.957 -7.076 14.090 1.00 0.00 C ATOM 1699 NZ LYS A 57 2.847 -8.256 13.893 1.00 0.00 N ATOM 0 H LYS A 57 4.382 -4.162 19.125 1.00 0.00 H new ATOM 0 HA LYS A 57 5.829 -5.177 16.828 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.655 -6.069 17.714 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.867 -4.570 17.264 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.509 -4.947 14.868 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.310 -6.440 15.314 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.133 -7.322 16.230 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.338 -5.836 15.749 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.916 -7.365 13.946 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.181 -6.311 13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.594 -8.738 13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.837 -7.940 13.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.732 -8.914 14.690 1.00 0.00 H new ATOM 1713 N LYS A 58 5.919 -3.281 15.220 1.00 0.00 N ATOM 1714 CA LYS A 58 5.992 -2.125 14.276 1.00 0.00 C ATOM 1715 C LYS A 58 4.995 -2.333 13.135 1.00 0.00 C ATOM 1716 O LYS A 58 4.931 -3.391 12.540 1.00 0.00 O ATOM 1717 CB LYS A 58 7.403 -2.012 13.685 1.00 0.00 C ATOM 1718 CG LYS A 58 8.444 -1.797 14.792 1.00 0.00 C ATOM 1719 CD LYS A 58 8.298 -0.399 15.406 1.00 0.00 C ATOM 1720 CE LYS A 58 9.573 -0.043 16.174 1.00 0.00 C ATOM 1721 NZ LYS A 58 9.874 -1.122 17.156 1.00 0.00 N ATOM 0 H LYS A 58 6.586 -4.031 15.037 1.00 0.00 H new ATOM 0 HA LYS A 58 5.753 -1.212 14.822 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.641 -2.917 13.127 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.441 -1.183 12.979 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.322 -2.555 15.566 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.447 -1.918 14.384 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.115 0.337 14.623 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.438 -0.372 16.075 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.406 0.077 15.482 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.447 0.909 16.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.522 -0.758 17.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.991 -1.439 17.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.319 -1.924 16.665 1.00 0.00 H new ATOM 1735 N ARG A 59 4.216 -1.330 12.825 1.00 0.00 N ATOM 1736 CA ARG A 59 3.214 -1.456 11.722 1.00 0.00 C ATOM 1737 C ARG A 59 3.771 -0.786 10.462 1.00 0.00 C ATOM 1738 O ARG A 59 4.823 -0.178 10.482 1.00 0.00 O ATOM 1739 CB ARG A 59 1.914 -0.760 12.130 1.00 0.00 C ATOM 1740 CG ARG A 59 1.367 -1.358 13.435 1.00 0.00 C ATOM 1741 CD ARG A 59 0.786 -2.761 13.203 1.00 0.00 C ATOM 1742 NE ARG A 59 -0.107 -2.772 12.000 1.00 0.00 N ATOM 1743 CZ ARG A 59 -1.124 -1.959 11.881 1.00 0.00 C ATOM 1744 NH1 ARG A 59 -1.503 -1.212 12.882 1.00 0.00 N ATOM 1745 NH2 ARG A 59 -1.802 -1.934 10.765 1.00 0.00 N ATOM 0 H ARG A 59 4.230 -0.423 13.291 1.00 0.00 H new ATOM 0 HA ARG A 59 3.016 -2.510 11.526 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.092 0.308 12.259 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.174 -0.866 11.337 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.164 -1.410 14.176 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.595 -0.705 13.842 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.596 -3.478 13.067 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.224 -3.077 14.082 1.00 0.00 H new ATOM 0 HE ARG A 59 0.085 -3.435 11.249 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.004 -1.258 13.770 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.298 -0.582 12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.537 -2.546 9.993 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.597 -1.302 10.665 1.00 0.00 H new ATOM 1759 N ASN A 60 3.094 -0.935 9.357 1.00 0.00 N ATOM 1760 CA ASN A 60 3.590 -0.359 8.071 1.00 0.00 C ATOM 1761 C ASN A 60 3.501 1.170 8.078 1.00 0.00 C ATOM 1762 O ASN A 60 3.131 1.783 9.060 1.00 0.00 O ATOM 1763 CB ASN A 60 2.740 -0.909 6.923 1.00 0.00 C ATOM 1764 CG ASN A 60 1.305 -0.399 7.063 1.00 0.00 C ATOM 1765 OD1 ASN A 60 0.936 0.137 8.090 1.00 0.00 O ATOM 1766 ND2 ASN A 60 0.473 -0.545 6.069 1.00 0.00 N ATOM 0 H ASN A 60 2.208 -1.436 9.288 1.00 0.00 H new ATOM 0 HA ASN A 60 4.636 -0.639 7.943 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.157 -0.597 5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.753 -1.999 6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.487 -0.210 6.154 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.782 -0.995 5.207 1.00 0.00 H new