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 -150:sc= 0.0455 USER MOD Set 1.2: A 34 ASN : amide:sc= -8.55! C(o=-8.5!,f=-22!) USER MOD Set 2.1: A 12 CYS SG : rot 162:sc= -0.036 USER MOD Set 2.2: A 15 CYS SG : rot -60:sc= -5.12! USER MOD Set 2.3: A 33 CYS SG : rot -132:sc= 1.29 USER MOD Set 2.4: A 36 CYS SG : rot 82:sc= 0.182 USER MOD Set 2.5: A 52 LYS NZ :NH3+ -123:sc= -1.58 (180deg=-5.69!) USER MOD Single : A 10 THR OG1 : rot 33:sc= 0.0507 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -4.12 K(o=-4.1,f=-3) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00248 K(o=-0.0025,f=-1.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -4.83! C(o=-4.8!,f=-2.7!) USER MOD Single : A 30 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.11) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -8.07! C(o=-8.1!,f=-12!) USER MOD Single : A 50 SER OG : rot -27:sc= 0.113 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.498 USER MOD Single : A 57 LYS NZ :NH3+ 150:sc= -1.28 (180deg=-4.4!) USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= -0.0261 (180deg=-0.362) USER MOD Single : A 60 ASN : amide:sc= -1.18 K(o=-1.2,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 955 N THR A 10 12.497 11.218 32.601 1.00 0.00 N ATOM 956 CA THR A 10 11.093 10.984 32.172 1.00 0.00 C ATOM 957 C THR A 10 10.821 9.480 32.137 1.00 0.00 C ATOM 958 O THR A 10 11.500 8.729 31.465 1.00 0.00 O ATOM 959 CB THR A 10 10.881 11.586 30.780 1.00 0.00 C ATOM 960 OG1 THR A 10 11.035 12.996 30.852 1.00 0.00 O ATOM 961 CG2 THR A 10 9.477 11.247 30.275 1.00 0.00 C ATOM 0 HA THR A 10 10.407 11.457 32.875 1.00 0.00 H new ATOM 0 HB THR A 10 11.616 11.172 30.090 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.704 13.218 31.533 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.333 11.678 29.284 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.362 10.165 30.220 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.735 11.656 30.961 1.00 0.00 H new ATOM 969 N THR A 11 9.835 9.035 32.869 1.00 0.00 N ATOM 970 CA THR A 11 9.507 7.579 32.899 1.00 0.00 C ATOM 971 C THR A 11 7.990 7.405 33.030 1.00 0.00 C ATOM 972 O THR A 11 7.317 8.218 33.632 1.00 0.00 O ATOM 973 CB THR A 11 10.206 6.937 34.101 1.00 0.00 C ATOM 974 OG1 THR A 11 11.610 6.937 33.885 1.00 0.00 O ATOM 975 CG2 THR A 11 9.717 5.500 34.282 1.00 0.00 C ATOM 0 H THR A 11 9.238 9.622 33.452 1.00 0.00 H new ATOM 0 HA THR A 11 9.846 7.101 31.980 1.00 0.00 H new ATOM 0 HB THR A 11 9.973 7.509 34.999 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.059 6.528 34.654 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.219 5.050 35.139 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.640 5.501 34.451 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.943 4.923 33.385 1.00 0.00 H new ATOM 983 N CYS A 12 7.445 6.349 32.487 1.00 0.00 N ATOM 984 CA CYS A 12 5.974 6.130 32.606 1.00 0.00 C ATOM 985 C CYS A 12 5.658 5.726 34.047 1.00 0.00 C ATOM 986 O CYS A 12 6.000 4.645 34.488 1.00 0.00 O ATOM 987 CB CYS A 12 5.540 5.019 31.647 1.00 0.00 C ATOM 988 SG CYS A 12 3.748 5.096 31.406 1.00 0.00 S ATOM 0 H CYS A 12 7.952 5.632 31.969 1.00 0.00 H new ATOM 0 HA CYS A 12 5.437 7.043 32.351 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.051 5.129 30.691 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.822 4.046 32.049 1.00 0.00 H new ATOM 0 HG CYS A 12 3.427 4.444 30.328 1.00 0.00 H new ATOM 993 N THR A 13 4.996 6.579 34.778 1.00 0.00 N ATOM 994 CA THR A 13 4.661 6.248 36.193 1.00 0.00 C ATOM 995 C THR A 13 3.647 5.107 36.232 1.00 0.00 C ATOM 996 O THR A 13 3.350 4.570 37.281 1.00 0.00 O ATOM 997 CB THR A 13 4.080 7.477 36.898 1.00 0.00 C ATOM 998 OG1 THR A 13 3.023 8.018 36.118 1.00 0.00 O ATOM 999 CG2 THR A 13 5.177 8.527 37.082 1.00 0.00 C ATOM 0 H THR A 13 4.672 7.492 34.457 1.00 0.00 H new ATOM 0 HA THR A 13 5.571 5.940 36.708 1.00 0.00 H new ATOM 0 HB THR A 13 3.693 7.186 37.875 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.651 8.803 36.571 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.763 9.402 37.584 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.983 8.110 37.686 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.568 8.819 36.107 1.00 0.00 H new ATOM 1007 N ASN A 14 3.105 4.736 35.104 1.00 0.00 N ATOM 1008 CA ASN A 14 2.101 3.632 35.088 1.00 0.00 C ATOM 1009 C ASN A 14 2.779 2.301 34.745 1.00 0.00 C ATOM 1010 O ASN A 14 2.434 1.284 35.311 1.00 0.00 O ATOM 1011 CB ASN A 14 1.026 3.926 34.032 1.00 0.00 C ATOM 1012 CG ASN A 14 0.011 4.930 34.582 1.00 0.00 C ATOM 1013 OD1 ASN A 14 -1.079 5.054 34.059 1.00 0.00 O ATOM 1014 ND2 ASN A 14 0.322 5.662 35.617 1.00 0.00 N ATOM 0 H ASN A 14 3.313 5.148 34.194 1.00 0.00 H new ATOM 0 HA ASN A 14 1.646 3.563 36.076 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.490 4.324 33.130 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.520 3.003 33.750 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.349 6.336 35.985 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.236 5.560 36.058 1.00 0.00 H new ATOM 1021 N CYS A 15 3.702 2.275 33.807 1.00 0.00 N ATOM 1022 CA CYS A 15 4.339 0.969 33.426 1.00 0.00 C ATOM 1023 C CYS A 15 5.868 1.071 33.389 1.00 0.00 C ATOM 1024 O CYS A 15 6.538 0.116 33.054 1.00 0.00 O ATOM 1025 CB CYS A 15 3.812 0.529 32.056 1.00 0.00 C ATOM 1026 SG CYS A 15 4.571 1.514 30.738 1.00 0.00 S ATOM 0 H CYS A 15 4.038 3.091 33.295 1.00 0.00 H new ATOM 0 HA CYS A 15 4.077 0.230 34.183 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.028 -0.528 31.899 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.728 0.641 32.024 1.00 0.00 H new ATOM 0 HG CYS A 15 4.290 2.770 30.918 1.00 0.00 H new ATOM 1031 N PHE A 16 6.432 2.192 33.752 1.00 0.00 N ATOM 1032 CA PHE A 16 7.920 2.324 33.776 1.00 0.00 C ATOM 1033 C PHE A 16 8.569 2.024 32.420 1.00 0.00 C ATOM 1034 O PHE A 16 9.778 2.020 32.308 1.00 0.00 O ATOM 1035 CB PHE A 16 8.497 1.388 34.842 1.00 0.00 C ATOM 1036 CG PHE A 16 8.043 1.862 36.199 1.00 0.00 C ATOM 1037 CD1 PHE A 16 8.761 2.865 36.860 1.00 0.00 C ATOM 1038 CD2 PHE A 16 6.898 1.314 36.790 1.00 0.00 C ATOM 1039 CE1 PHE A 16 8.338 3.318 38.115 1.00 0.00 C ATOM 1040 CE2 PHE A 16 6.474 1.768 38.045 1.00 0.00 C ATOM 1041 CZ PHE A 16 7.193 2.770 38.707 1.00 0.00 C ATOM 0 H PHE A 16 5.922 3.029 34.035 1.00 0.00 H new ATOM 0 HA PHE A 16 8.147 3.363 34.013 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.163 0.365 34.668 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.586 1.381 34.789 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.642 3.290 36.402 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.342 0.542 36.278 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.894 4.090 38.627 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.592 1.345 38.502 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.865 3.121 39.674 1.00 0.00 H new ATOM 1051 N THR A 17 7.816 1.765 31.389 1.00 0.00 N ATOM 1052 CA THR A 17 8.471 1.468 30.083 1.00 0.00 C ATOM 1053 C THR A 17 9.214 2.716 29.596 1.00 0.00 C ATOM 1054 O THR A 17 8.692 3.813 29.634 1.00 0.00 O ATOM 1055 CB THR A 17 7.407 1.060 29.055 1.00 0.00 C ATOM 1056 OG1 THR A 17 8.049 0.511 27.912 1.00 0.00 O ATOM 1057 CG2 THR A 17 6.575 2.279 28.634 1.00 0.00 C ATOM 0 H THR A 17 6.796 1.746 31.390 1.00 0.00 H new ATOM 0 HA THR A 17 9.180 0.649 30.205 1.00 0.00 H new ATOM 0 HB THR A 17 6.745 0.320 29.504 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.374 0.247 27.253 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.825 1.973 27.905 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.080 2.701 29.509 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.229 3.030 28.189 1.00 0.00 H new ATOM 1065 N GLN A 18 10.430 2.557 29.136 1.00 0.00 N ATOM 1066 CA GLN A 18 11.214 3.732 28.647 1.00 0.00 C ATOM 1067 C GLN A 18 11.151 3.790 27.120 1.00 0.00 C ATOM 1068 O GLN A 18 11.634 4.722 26.507 1.00 0.00 O ATOM 1069 CB GLN A 18 12.677 3.598 29.082 1.00 0.00 C ATOM 1070 CG GLN A 18 12.756 3.542 30.609 1.00 0.00 C ATOM 1071 CD GLN A 18 14.222 3.504 31.044 1.00 0.00 C ATOM 1072 OE1 GLN A 18 15.074 4.071 30.390 1.00 0.00 O ATOM 1073 NE2 GLN A 18 14.554 2.859 32.128 1.00 0.00 N ATOM 0 H GLN A 18 10.915 1.661 29.078 1.00 0.00 H new ATOM 0 HA GLN A 18 10.790 4.643 29.069 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.114 2.697 28.652 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.257 4.442 28.709 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.260 4.411 31.041 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.233 2.660 30.979 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.839 2.383 32.677 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.529 2.831 32.426 1.00 0.00 H new ATOM 1082 N THR A 19 10.556 2.803 26.500 1.00 0.00 N ATOM 1083 CA THR A 19 10.452 2.794 25.009 1.00 0.00 C ATOM 1084 C THR A 19 9.033 3.193 24.595 1.00 0.00 C ATOM 1085 O THR A 19 8.070 2.519 24.905 1.00 0.00 O ATOM 1086 CB THR A 19 10.767 1.383 24.498 1.00 0.00 C ATOM 1087 OG1 THR A 19 12.100 1.046 24.858 1.00 0.00 O ATOM 1088 CG2 THR A 19 10.622 1.338 22.976 1.00 0.00 C ATOM 0 H THR A 19 10.135 1.998 26.965 1.00 0.00 H new ATOM 0 HA THR A 19 11.160 3.504 24.581 1.00 0.00 H new ATOM 0 HB THR A 19 10.072 0.671 24.943 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.308 0.144 24.536 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.847 0.333 22.619 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.601 1.601 22.700 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.315 2.048 22.523 1.00 0.00 H new ATOM 1096 N THR A 20 8.900 4.289 23.895 1.00 0.00 N ATOM 1097 CA THR A 20 7.549 4.745 23.454 1.00 0.00 C ATOM 1098 C THR A 20 7.712 5.740 22.293 1.00 0.00 C ATOM 1099 O THR A 20 8.633 6.532 22.296 1.00 0.00 O ATOM 1100 CB THR A 20 6.846 5.440 24.625 1.00 0.00 C ATOM 1101 OG1 THR A 20 5.503 5.726 24.265 1.00 0.00 O ATOM 1102 CG2 THR A 20 7.575 6.742 24.966 1.00 0.00 C ATOM 0 H THR A 20 9.673 4.890 23.609 1.00 0.00 H new ATOM 0 HA THR A 20 6.956 3.891 23.127 1.00 0.00 H new ATOM 0 HB THR A 20 6.858 4.784 25.496 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.202 6.530 24.738 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.072 7.233 25.799 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.605 6.520 25.244 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.567 7.401 24.098 1.00 0.00 H new ATOM 1110 N PRO A 21 6.845 5.723 21.306 1.00 0.00 N ATOM 1111 CA PRO A 21 6.947 6.666 20.151 1.00 0.00 C ATOM 1112 C PRO A 21 6.398 8.065 20.473 1.00 0.00 C ATOM 1113 O PRO A 21 6.703 9.026 19.796 1.00 0.00 O ATOM 1114 CB PRO A 21 6.093 5.982 19.080 1.00 0.00 C ATOM 1115 CG PRO A 21 5.027 5.276 19.852 1.00 0.00 C ATOM 1116 CD PRO A 21 5.686 4.818 21.159 1.00 0.00 C ATOM 0 HA PRO A 21 7.981 6.842 19.854 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.668 6.708 18.387 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.683 5.283 18.487 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.185 5.939 20.051 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.638 4.426 19.292 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.002 4.904 22.003 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.997 3.775 21.106 1.00 0.00 H new ATOM 1124 N LEU A 22 5.584 8.187 21.487 1.00 0.00 N ATOM 1125 CA LEU A 22 5.009 9.525 21.834 1.00 0.00 C ATOM 1126 C LEU A 22 4.638 9.554 23.323 1.00 0.00 C ATOM 1127 O LEU A 22 3.904 8.722 23.822 1.00 0.00 O ATOM 1128 CB LEU A 22 3.790 9.782 20.929 1.00 0.00 C ATOM 1129 CG LEU A 22 2.859 10.865 21.495 1.00 0.00 C ATOM 1130 CD1 LEU A 22 3.597 12.196 21.629 1.00 0.00 C ATOM 1131 CD2 LEU A 22 1.690 11.058 20.531 1.00 0.00 C ATOM 0 H LEU A 22 5.291 7.420 22.092 1.00 0.00 H new ATOM 0 HA LEU A 22 5.737 10.319 21.665 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.133 10.082 19.939 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.231 8.855 20.805 1.00 0.00 H new ATOM 0 HG LEU A 22 2.510 10.550 22.478 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.919 12.949 22.032 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.446 12.075 22.302 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.953 12.515 20.649 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.020 11.825 20.920 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.069 11.368 19.557 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.146 10.119 20.427 1.00 0.00 H new ATOM 1143 N TRP A 23 5.186 10.508 24.028 1.00 0.00 N ATOM 1144 CA TRP A 23 4.937 10.625 25.498 1.00 0.00 C ATOM 1145 C TRP A 23 3.585 11.293 25.776 1.00 0.00 C ATOM 1146 O TRP A 23 3.285 12.353 25.264 1.00 0.00 O ATOM 1147 CB TRP A 23 6.058 11.463 26.127 1.00 0.00 C ATOM 1148 CG TRP A 23 7.275 10.616 26.318 1.00 0.00 C ATOM 1149 CD1 TRP A 23 8.418 10.714 25.600 1.00 0.00 C ATOM 1150 CD2 TRP A 23 7.483 9.540 27.277 1.00 0.00 C ATOM 1151 NE1 TRP A 23 9.316 9.767 26.061 1.00 0.00 N ATOM 1152 CE2 TRP A 23 8.785 9.017 27.092 1.00 0.00 C ATOM 1153 CE3 TRP A 23 6.676 8.975 28.278 1.00 0.00 C ATOM 1154 CZ2 TRP A 23 9.268 7.967 27.876 1.00 0.00 C ATOM 1155 CZ3 TRP A 23 7.158 7.919 29.067 1.00 0.00 C ATOM 1156 CH2 TRP A 23 8.450 7.415 28.868 1.00 0.00 C ATOM 0 H TRP A 23 5.805 11.222 23.643 1.00 0.00 H new ATOM 0 HA TRP A 23 4.920 9.625 25.932 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.292 12.314 25.487 1.00 0.00 H new ATOM 0 HB3 TRP A 23 5.730 11.866 27.085 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.600 11.416 24.799 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.255 9.639 25.685 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.679 9.355 28.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 10.265 7.584 27.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.528 7.492 29.833 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.814 6.602 29.479 1.00 0.00 H new ATOM 1167 N ARG A 24 2.769 10.662 26.584 1.00 0.00 N ATOM 1168 CA ARG A 24 1.421 11.215 26.920 1.00 0.00 C ATOM 1169 C ARG A 24 1.393 11.565 28.414 1.00 0.00 C ATOM 1170 O ARG A 24 2.352 11.341 29.126 1.00 0.00 O ATOM 1171 CB ARG A 24 0.358 10.148 26.637 1.00 0.00 C ATOM 1172 CG ARG A 24 0.436 9.690 25.175 1.00 0.00 C ATOM 1173 CD ARG A 24 -0.257 10.695 24.250 1.00 0.00 C ATOM 1174 NE ARG A 24 -0.292 10.138 22.866 1.00 0.00 N ATOM 1175 CZ ARG A 24 -1.127 10.612 21.980 1.00 0.00 C ATOM 1176 NH1 ARG A 24 -1.969 11.552 22.308 1.00 0.00 N ATOM 1177 NH2 ARG A 24 -1.123 10.129 20.763 1.00 0.00 N ATOM 0 H ARG A 24 2.985 9.772 27.032 1.00 0.00 H new ATOM 0 HA ARG A 24 1.220 12.104 26.322 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.504 9.295 27.300 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.634 10.549 26.847 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.479 9.578 24.880 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.032 8.711 25.071 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.269 10.894 24.601 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.276 11.646 24.260 1.00 0.00 H new ATOM 0 HE ARG A 24 0.341 9.381 22.610 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.977 11.920 23.259 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.619 11.919 21.613 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.470 9.387 20.511 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.773 10.495 20.067 1.00 0.00 H new ATOM 1191 N ARG A 25 0.304 12.102 28.900 1.00 0.00 N ATOM 1192 CA ARG A 25 0.226 12.448 30.354 1.00 0.00 C ATOM 1193 C ARG A 25 -1.210 12.279 30.861 1.00 0.00 C ATOM 1194 O ARG A 25 -2.157 12.296 30.100 1.00 0.00 O ATOM 1195 CB ARG A 25 0.684 13.894 30.567 1.00 0.00 C ATOM 1196 CG ARG A 25 -0.032 14.824 29.582 1.00 0.00 C ATOM 1197 CD ARG A 25 0.189 16.291 29.986 1.00 0.00 C ATOM 1198 NE ARG A 25 0.185 17.162 28.766 1.00 0.00 N ATOM 1199 CZ ARG A 25 1.074 17.021 27.821 1.00 0.00 C ATOM 1200 NH1 ARG A 25 2.039 16.150 27.948 1.00 0.00 N ATOM 1201 NH2 ARG A 25 1.015 17.774 26.757 1.00 0.00 N ATOM 0 H ARG A 25 -0.532 12.316 28.357 1.00 0.00 H new ATOM 0 HA ARG A 25 0.879 11.777 30.913 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.473 14.204 31.591 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.763 13.966 30.429 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.343 14.656 28.573 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.098 14.599 29.567 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.594 16.610 30.674 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.137 16.393 30.513 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.530 17.883 28.672 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.100 15.576 28.789 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.731 16.044 27.206 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.275 18.471 26.666 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.708 17.666 26.017 1.00 0.00 H new ATOM 1215 N ASN A 26 -1.371 12.115 32.148 1.00 0.00 N ATOM 1216 CA ASN A 26 -2.735 11.940 32.725 1.00 0.00 C ATOM 1217 C ASN A 26 -3.341 13.326 32.990 1.00 0.00 C ATOM 1218 O ASN A 26 -2.632 14.222 33.396 1.00 0.00 O ATOM 1219 CB ASN A 26 -2.612 11.180 34.057 1.00 0.00 C ATOM 1220 CG ASN A 26 -3.955 10.545 34.423 1.00 0.00 C ATOM 1221 OD1 ASN A 26 -4.602 10.961 35.364 1.00 0.00 O ATOM 1222 ND2 ASN A 26 -4.406 9.550 33.710 1.00 0.00 N ATOM 0 H ASN A 26 -0.611 12.095 32.828 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.370 11.383 32.036 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.846 10.409 33.976 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.296 11.862 34.846 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.302 9.121 33.942 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.863 9.201 32.920 1.00 0.00 H new ATOM 1229 N PRO A 27 -4.626 13.525 32.785 1.00 0.00 N ATOM 1230 CA PRO A 27 -5.267 14.844 33.053 1.00 0.00 C ATOM 1231 C PRO A 27 -4.821 15.439 34.398 1.00 0.00 C ATOM 1232 O PRO A 27 -5.118 16.574 34.714 1.00 0.00 O ATOM 1233 CB PRO A 27 -6.768 14.527 33.072 1.00 0.00 C ATOM 1234 CG PRO A 27 -6.928 13.319 32.202 1.00 0.00 C ATOM 1235 CD PRO A 27 -5.604 12.544 32.268 1.00 0.00 C ATOM 0 HA PRO A 27 -4.994 15.588 32.305 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.116 14.330 34.086 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.352 15.365 32.692 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.756 12.700 32.549 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.155 13.609 31.176 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.683 11.678 32.926 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.312 12.173 31.286 1.00 0.00 H new ATOM 1243 N GLU A 28 -4.108 14.679 35.191 1.00 0.00 N ATOM 1244 CA GLU A 28 -3.636 15.182 36.515 1.00 0.00 C ATOM 1245 C GLU A 28 -2.181 15.646 36.394 1.00 0.00 C ATOM 1246 O GLU A 28 -1.542 15.985 37.370 1.00 0.00 O ATOM 1247 CB GLU A 28 -3.717 14.049 37.539 1.00 0.00 C ATOM 1248 CG GLU A 28 -5.183 13.705 37.805 1.00 0.00 C ATOM 1249 CD GLU A 28 -5.263 12.426 38.641 1.00 0.00 C ATOM 1250 OE1 GLU A 28 -4.217 11.887 38.964 1.00 0.00 O ATOM 1251 OE2 GLU A 28 -6.368 12.005 38.943 1.00 0.00 O ATOM 0 H GLU A 28 -3.831 13.722 34.974 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.261 16.016 36.834 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.188 13.171 37.168 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.228 14.347 38.467 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.671 14.526 38.330 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.713 13.570 36.862 1.00 0.00 H new ATOM 1258 N GLY A 29 -1.659 15.672 35.198 1.00 0.00 N ATOM 1259 CA GLY A 29 -0.252 16.123 34.992 1.00 0.00 C ATOM 1260 C GLY A 29 0.747 14.981 35.225 1.00 0.00 C ATOM 1261 O GLY A 29 1.939 15.211 35.284 1.00 0.00 O ATOM 0 H GLY A 29 -2.151 15.398 34.347 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.137 16.507 33.978 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.030 16.946 35.671 1.00 0.00 H new ATOM 1265 N GLN A 30 0.298 13.756 35.342 1.00 0.00 N ATOM 1266 CA GLN A 30 1.266 12.633 35.549 1.00 0.00 C ATOM 1267 C GLN A 30 1.739 12.129 34.171 1.00 0.00 C ATOM 1268 O GLN A 30 0.940 11.994 33.265 1.00 0.00 O ATOM 1269 CB GLN A 30 0.585 11.484 36.298 1.00 0.00 C ATOM 1270 CG GLN A 30 -0.103 12.012 37.560 1.00 0.00 C ATOM 1271 CD GLN A 30 0.908 12.761 38.433 1.00 0.00 C ATOM 1272 OE1 GLN A 30 0.756 13.941 38.679 1.00 0.00 O ATOM 1273 NE2 GLN A 30 1.938 12.123 38.919 1.00 0.00 N ATOM 0 H GLN A 30 -0.685 13.486 35.304 1.00 0.00 H new ATOM 0 HA GLN A 30 2.114 12.986 36.136 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.147 11.001 35.651 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.322 10.727 36.566 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.922 12.677 37.286 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.537 11.184 38.121 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.068 11.132 38.714 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.613 12.615 39.504 1.00 0.00 H new ATOM 1282 N PRO A 31 3.015 11.862 33.990 1.00 0.00 N ATOM 1283 CA PRO A 31 3.554 11.382 32.676 1.00 0.00 C ATOM 1284 C PRO A 31 3.181 9.923 32.359 1.00 0.00 C ATOM 1285 O PRO A 31 3.299 9.045 33.189 1.00 0.00 O ATOM 1286 CB PRO A 31 5.072 11.540 32.839 1.00 0.00 C ATOM 1287 CG PRO A 31 5.310 11.377 34.302 1.00 0.00 C ATOM 1288 CD PRO A 31 4.089 11.984 34.997 1.00 0.00 C ATOM 0 HA PRO A 31 3.138 11.946 31.841 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.613 10.789 32.263 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.409 12.515 32.488 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.426 10.325 34.564 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.225 11.884 34.608 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.842 11.447 35.913 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.262 13.024 35.274 1.00 0.00 H new ATOM 1296 N LEU A 32 2.750 9.672 31.145 1.00 0.00 N ATOM 1297 CA LEU A 32 2.370 8.285 30.718 1.00 0.00 C ATOM 1298 C LEU A 32 3.017 7.979 29.368 1.00 0.00 C ATOM 1299 O LEU A 32 3.372 8.879 28.631 1.00 0.00 O ATOM 1300 CB LEU A 32 0.854 8.186 30.529 1.00 0.00 C ATOM 1301 CG LEU A 32 0.117 8.437 31.843 1.00 0.00 C ATOM 1302 CD1 LEU A 32 -1.390 8.359 31.587 1.00 0.00 C ATOM 1303 CD2 LEU A 32 0.510 7.385 32.890 1.00 0.00 C ATOM 0 H LEU A 32 2.644 10.381 30.420 1.00 0.00 H new ATOM 0 HA LEU A 32 2.703 7.585 31.484 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.530 8.911 29.783 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.596 7.198 30.147 1.00 0.00 H new ATOM 0 HG LEU A 32 0.386 9.423 32.221 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.927 8.537 32.519 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.674 9.115 30.855 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.643 7.370 31.205 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.025 7.580 33.820 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.251 6.392 32.523 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.584 7.436 33.071 1.00 0.00 H new ATOM 1315 N CYS A 33 3.118 6.727 28.995 1.00 0.00 N ATOM 1316 CA CYS A 33 3.672 6.397 27.653 1.00 0.00 C ATOM 1317 C CYS A 33 2.495 6.374 26.670 1.00 0.00 C ATOM 1318 O CYS A 33 1.421 6.844 26.984 1.00 0.00 O ATOM 1319 CB CYS A 33 4.382 5.036 27.686 1.00 0.00 C ATOM 1320 SG CYS A 33 3.192 3.701 27.964 1.00 0.00 S ATOM 0 H CYS A 33 2.841 5.925 29.561 1.00 0.00 H new ATOM 0 HA CYS A 33 4.410 7.138 27.346 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.908 4.871 26.745 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.133 5.031 28.476 1.00 0.00 H new ATOM 0 HG CYS A 33 3.637 2.910 28.895 1.00 0.00 H new ATOM 1325 N ASN A 34 2.672 5.848 25.492 1.00 0.00 N ATOM 1326 CA ASN A 34 1.536 5.826 24.521 1.00 0.00 C ATOM 1327 C ASN A 34 0.484 4.787 24.922 1.00 0.00 C ATOM 1328 O ASN A 34 -0.702 5.025 24.823 1.00 0.00 O ATOM 1329 CB ASN A 34 2.072 5.502 23.118 1.00 0.00 C ATOM 1330 CG ASN A 34 2.488 6.794 22.422 1.00 0.00 C ATOM 1331 OD1 ASN A 34 3.646 6.991 22.126 1.00 0.00 O ATOM 1332 ND2 ASN A 34 1.573 7.686 22.152 1.00 0.00 N ATOM 0 H ASN A 34 3.543 5.435 25.158 1.00 0.00 H new ATOM 0 HA ASN A 34 1.062 6.808 24.523 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.923 4.825 23.190 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.307 4.992 22.533 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.831 8.557 21.688 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.600 7.512 22.405 1.00 0.00 H new ATOM 1339 N ALA A 35 0.896 3.633 25.345 1.00 0.00 N ATOM 1340 CA ALA A 35 -0.106 2.594 25.710 1.00 0.00 C ATOM 1341 C ALA A 35 -0.908 3.005 26.957 1.00 0.00 C ATOM 1342 O ALA A 35 -2.120 2.976 26.946 1.00 0.00 O ATOM 1343 CB ALA A 35 0.602 1.259 25.932 1.00 0.00 C ATOM 0 H ALA A 35 1.873 3.361 25.455 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.816 2.489 24.890 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.131 0.498 26.199 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.115 0.963 25.017 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.328 1.362 26.738 1.00 0.00 H new ATOM 1349 N CYS A 36 -0.258 3.369 28.034 1.00 0.00 N ATOM 1350 CA CYS A 36 -1.018 3.750 29.268 1.00 0.00 C ATOM 1351 C CYS A 36 -1.895 4.983 29.018 1.00 0.00 C ATOM 1352 O CYS A 36 -3.065 4.993 29.336 1.00 0.00 O ATOM 1353 CB CYS A 36 -0.057 4.067 30.416 1.00 0.00 C ATOM 1354 SG CYS A 36 0.988 2.637 30.775 1.00 0.00 S ATOM 0 H CYS A 36 0.758 3.419 28.114 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.649 2.902 29.533 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.565 4.923 30.153 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.622 4.345 31.306 1.00 0.00 H new ATOM 0 HG CYS A 36 1.987 2.610 29.943 1.00 0.00 H new ATOM 1359 N GLY A 37 -1.341 6.032 28.472 1.00 0.00 N ATOM 1360 CA GLY A 37 -2.158 7.257 28.232 1.00 0.00 C ATOM 1361 C GLY A 37 -3.335 6.941 27.307 1.00 0.00 C ATOM 1362 O GLY A 37 -4.468 7.267 27.599 1.00 0.00 O ATOM 0 H GLY A 37 -0.365 6.094 28.183 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.527 7.647 29.180 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.537 8.035 27.788 1.00 0.00 H new ATOM 1366 N LEU A 38 -3.084 6.305 26.197 1.00 0.00 N ATOM 1367 CA LEU A 38 -4.196 5.966 25.266 1.00 0.00 C ATOM 1368 C LEU A 38 -5.134 4.949 25.921 1.00 0.00 C ATOM 1369 O LEU A 38 -6.340 5.028 25.793 1.00 0.00 O ATOM 1370 CB LEU A 38 -3.600 5.384 23.980 1.00 0.00 C ATOM 1371 CG LEU A 38 -2.678 6.431 23.328 1.00 0.00 C ATOM 1372 CD1 LEU A 38 -1.870 5.804 22.178 1.00 0.00 C ATOM 1373 CD2 LEU A 38 -3.512 7.607 22.792 1.00 0.00 C ATOM 0 H LEU A 38 -2.157 6.005 25.894 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.770 6.862 25.031 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.038 4.477 24.204 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.396 5.104 23.290 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.984 6.795 24.086 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.225 6.561 21.731 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.258 4.989 22.565 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.553 5.417 21.422 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.851 8.342 22.333 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.221 7.242 22.049 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.056 8.072 23.614 1.00 0.00 H new ATOM 1385 N PHE A 39 -4.589 3.995 26.625 1.00 0.00 N ATOM 1386 CA PHE A 39 -5.449 2.974 27.291 1.00 0.00 C ATOM 1387 C PHE A 39 -6.184 3.573 28.496 1.00 0.00 C ATOM 1388 O PHE A 39 -7.363 3.353 28.685 1.00 0.00 O ATOM 1389 CB PHE A 39 -4.586 1.801 27.772 1.00 0.00 C ATOM 1390 CG PHE A 39 -5.439 0.861 28.592 1.00 0.00 C ATOM 1391 CD1 PHE A 39 -5.654 1.132 29.948 1.00 0.00 C ATOM 1392 CD2 PHE A 39 -6.033 -0.258 27.999 1.00 0.00 C ATOM 1393 CE1 PHE A 39 -6.460 0.283 30.712 1.00 0.00 C ATOM 1394 CE2 PHE A 39 -6.844 -1.106 28.763 1.00 0.00 C ATOM 1395 CZ PHE A 39 -7.056 -0.834 30.120 1.00 0.00 C ATOM 0 H PHE A 39 -3.586 3.878 26.768 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.184 2.629 26.564 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.160 1.274 26.919 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.751 2.169 28.369 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.197 1.998 30.404 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.866 -0.468 26.953 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.622 0.490 31.759 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.306 -1.969 28.306 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.681 -1.488 30.710 1.00 0.00 H new ATOM 1405 N LEU A 40 -5.484 4.272 29.345 1.00 0.00 N ATOM 1406 CA LEU A 40 -6.132 4.817 30.573 1.00 0.00 C ATOM 1407 C LEU A 40 -7.249 5.803 30.216 1.00 0.00 C ATOM 1408 O LEU A 40 -8.367 5.672 30.670 1.00 0.00 O ATOM 1409 CB LEU A 40 -5.064 5.512 31.429 1.00 0.00 C ATOM 1410 CG LEU A 40 -5.642 5.947 32.785 1.00 0.00 C ATOM 1411 CD1 LEU A 40 -6.133 4.720 33.575 1.00 0.00 C ATOM 1412 CD2 LEU A 40 -4.548 6.663 33.590 1.00 0.00 C ATOM 0 H LEU A 40 -4.493 4.490 29.243 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.582 3.997 31.132 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.224 4.836 31.588 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.677 6.382 30.899 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.484 6.618 32.615 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.540 5.043 34.533 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.909 4.207 33.006 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.299 4.040 33.746 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.951 6.975 34.554 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.710 5.984 33.749 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.205 7.539 33.039 1.00 0.00 H new ATOM 1424 N LYS A 41 -6.965 6.790 29.414 1.00 0.00 N ATOM 1425 CA LYS A 41 -8.021 7.778 29.044 1.00 0.00 C ATOM 1426 C LYS A 41 -9.183 7.083 28.323 1.00 0.00 C ATOM 1427 O LYS A 41 -10.338 7.356 28.583 1.00 0.00 O ATOM 1428 CB LYS A 41 -7.400 8.841 28.139 1.00 0.00 C ATOM 1429 CG LYS A 41 -8.429 9.917 27.790 1.00 0.00 C ATOM 1430 CD LYS A 41 -7.756 10.952 26.889 1.00 0.00 C ATOM 1431 CE LYS A 41 -8.744 12.062 26.526 1.00 0.00 C ATOM 1432 NZ LYS A 41 -8.045 13.068 25.678 1.00 0.00 N ATOM 0 H LYS A 41 -6.049 6.957 28.998 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.416 8.243 29.947 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.544 9.296 28.638 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.027 8.377 27.226 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.286 9.473 27.283 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.805 10.391 28.697 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.890 11.378 27.396 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.389 10.471 25.982 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.599 11.647 25.992 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.131 12.533 27.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.707 13.829 25.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.243 13.469 26.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.696 12.610 24.812 1.00 0.00 H new ATOM 1446 N LEU A 42 -8.888 6.207 27.401 1.00 0.00 N ATOM 1447 CA LEU A 42 -9.978 5.520 26.648 1.00 0.00 C ATOM 1448 C LEU A 42 -10.729 4.542 27.558 1.00 0.00 C ATOM 1449 O LEU A 42 -11.931 4.394 27.454 1.00 0.00 O ATOM 1450 CB LEU A 42 -9.393 4.753 25.456 1.00 0.00 C ATOM 1451 CG LEU A 42 -8.849 5.728 24.401 1.00 0.00 C ATOM 1452 CD1 LEU A 42 -8.174 4.926 23.283 1.00 0.00 C ATOM 1453 CD2 LEU A 42 -9.990 6.579 23.811 1.00 0.00 C ATOM 0 H LEU A 42 -7.941 5.937 27.136 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.674 6.278 26.289 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.594 4.095 25.797 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.161 4.119 25.012 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.127 6.396 24.871 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.784 5.610 22.529 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.355 4.340 23.699 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.902 4.257 22.825 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.585 7.264 23.066 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.726 5.926 23.342 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.467 7.150 24.607 1.00 0.00 H new ATOM 1465 N HIS A 43 -10.044 3.854 28.434 1.00 0.00 N ATOM 1466 CA HIS A 43 -10.745 2.873 29.317 1.00 0.00 C ATOM 1467 C HIS A 43 -11.273 3.566 30.576 1.00 0.00 C ATOM 1468 O HIS A 43 -12.364 3.282 31.029 1.00 0.00 O ATOM 1469 CB HIS A 43 -9.772 1.759 29.710 1.00 0.00 C ATOM 1470 CG HIS A 43 -9.482 0.909 28.502 1.00 0.00 C ATOM 1471 ND1 HIS A 43 -8.481 1.224 27.596 1.00 0.00 N ATOM 1472 CD2 HIS A 43 -10.062 -0.244 28.033 1.00 0.00 C ATOM 1473 CE1 HIS A 43 -8.491 0.280 26.637 1.00 0.00 C ATOM 1474 NE2 HIS A 43 -9.435 -0.638 26.854 1.00 0.00 N ATOM 0 H HIS A 43 -9.037 3.927 28.576 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.590 2.449 28.774 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.848 2.187 30.099 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.200 1.149 30.505 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.852 2.025 27.647 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.880 -0.766 28.507 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.817 0.267 25.794 1.00 0.00 H new ATOM 1482 N GLY A 44 -10.537 4.483 31.138 1.00 0.00 N ATOM 1483 CA GLY A 44 -11.035 5.194 32.351 1.00 0.00 C ATOM 1484 C GLY A 44 -11.232 4.221 33.517 1.00 0.00 C ATOM 1485 O GLY A 44 -11.800 4.578 34.529 1.00 0.00 O ATOM 0 H GLY A 44 -9.614 4.771 30.812 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.327 5.971 32.637 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.978 5.690 32.124 1.00 0.00 H new ATOM 1489 N VAL A 45 -10.763 3.005 33.400 1.00 0.00 N ATOM 1490 CA VAL A 45 -10.925 2.028 34.523 1.00 0.00 C ATOM 1491 C VAL A 45 -9.647 1.205 34.682 1.00 0.00 C ATOM 1492 O VAL A 45 -9.007 0.825 33.721 1.00 0.00 O ATOM 1493 CB VAL A 45 -12.112 1.099 34.253 1.00 0.00 C ATOM 1494 CG1 VAL A 45 -13.413 1.906 34.276 1.00 0.00 C ATOM 1495 CG2 VAL A 45 -11.951 0.434 32.884 1.00 0.00 C ATOM 0 H VAL A 45 -10.276 2.646 32.579 1.00 0.00 H new ATOM 0 HA VAL A 45 -11.115 2.580 35.444 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.146 0.331 35.026 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.256 1.243 34.084 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.534 2.373 35.253 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.376 2.678 33.507 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.799 -0.226 32.698 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.911 1.200 32.110 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.029 -0.147 32.868 1.00 0.00 H new ATOM 1505 N VAL A 46 -9.270 0.945 35.903 1.00 0.00 N ATOM 1506 CA VAL A 46 -8.028 0.163 36.168 1.00 0.00 C ATOM 1507 C VAL A 46 -8.119 -1.227 35.539 1.00 0.00 C ATOM 1508 O VAL A 46 -9.172 -1.831 35.479 1.00 0.00 O ATOM 1509 CB VAL A 46 -7.827 0.016 37.679 1.00 0.00 C ATOM 1510 CG1 VAL A 46 -7.494 1.377 38.296 1.00 0.00 C ATOM 1511 CG2 VAL A 46 -9.111 -0.527 38.309 1.00 0.00 C ATOM 0 H VAL A 46 -9.774 1.244 36.738 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.185 0.696 35.728 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.004 -0.673 37.867 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.352 1.264 39.371 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.579 1.765 37.848 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.313 2.072 38.109 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.972 -0.633 39.385 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.932 0.164 38.116 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.346 -1.499 37.876 1.00 0.00 H new ATOM 1521 N ARG A 47 -7.009 -1.741 35.084 1.00 0.00 N ATOM 1522 CA ARG A 47 -6.994 -3.099 34.471 1.00 0.00 C ATOM 1523 C ARG A 47 -5.552 -3.631 34.544 1.00 0.00 C ATOM 1524 O ARG A 47 -4.620 -2.891 34.298 1.00 0.00 O ATOM 1525 CB ARG A 47 -7.449 -2.987 33.008 1.00 0.00 C ATOM 1526 CG ARG A 47 -7.943 -4.344 32.494 1.00 0.00 C ATOM 1527 CD ARG A 47 -8.680 -4.155 31.170 1.00 0.00 C ATOM 1528 NE ARG A 47 -9.831 -3.230 31.374 1.00 0.00 N ATOM 1529 CZ ARG A 47 -10.437 -2.705 30.345 1.00 0.00 C ATOM 1530 NH1 ARG A 47 -9.997 -2.943 29.140 1.00 0.00 N ATOM 1531 NH2 ARG A 47 -11.474 -1.933 30.521 1.00 0.00 N ATOM 0 H ARG A 47 -6.103 -1.273 35.111 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.665 -3.778 34.996 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.246 -2.248 32.924 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.623 -2.636 32.390 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.100 -5.021 32.359 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.606 -4.803 33.228 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.002 -3.750 30.418 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.033 -5.116 30.797 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.145 -3.007 32.319 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.180 -3.539 29.004 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.470 -2.533 28.334 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.812 -1.739 31.464 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.947 -1.523 29.716 1.00 0.00 H new ATOM 1545 N PRO A 48 -5.348 -4.885 34.885 1.00 0.00 N ATOM 1546 CA PRO A 48 -3.987 -5.482 34.990 1.00 0.00 C ATOM 1547 C PRO A 48 -2.963 -4.881 34.023 1.00 0.00 C ATOM 1548 O PRO A 48 -3.043 -5.052 32.824 1.00 0.00 O ATOM 1549 CB PRO A 48 -4.255 -6.943 34.659 1.00 0.00 C ATOM 1550 CG PRO A 48 -5.578 -7.212 35.301 1.00 0.00 C ATOM 1551 CD PRO A 48 -6.373 -5.897 35.214 1.00 0.00 C ATOM 0 HA PRO A 48 -3.539 -5.305 35.968 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.290 -7.110 33.582 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.476 -7.594 35.057 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.102 -8.019 34.789 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.451 -7.522 36.338 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.146 -5.947 34.447 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.872 -5.669 36.156 1.00 0.00 H new ATOM 1559 N LEU A 49 -1.984 -4.203 34.555 1.00 0.00 N ATOM 1560 CA LEU A 49 -0.923 -3.611 33.694 1.00 0.00 C ATOM 1561 C LEU A 49 -0.134 -4.747 33.034 1.00 0.00 C ATOM 1562 O LEU A 49 0.619 -4.537 32.103 1.00 0.00 O ATOM 1563 CB LEU A 49 0.010 -2.744 34.544 1.00 0.00 C ATOM 1564 CG LEU A 49 -0.776 -1.572 35.150 1.00 0.00 C ATOM 1565 CD1 LEU A 49 0.145 -0.772 36.077 1.00 0.00 C ATOM 1566 CD2 LEU A 49 -1.318 -0.657 34.036 1.00 0.00 C ATOM 0 H LEU A 49 -1.873 -4.033 35.555 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.374 -2.984 32.925 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.456 -3.344 35.338 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.829 -2.366 33.931 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.620 -1.963 35.719 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.409 0.061 36.510 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.509 -1.419 36.875 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.991 -0.388 35.507 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.873 0.169 34.481 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.486 -0.263 33.452 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.979 -1.229 33.385 1.00 0.00 H new ATOM 1578 N SER A 50 -0.305 -5.951 33.513 1.00 0.00 N ATOM 1579 CA SER A 50 0.429 -7.110 32.927 1.00 0.00 C ATOM 1580 C SER A 50 0.124 -7.201 31.431 1.00 0.00 C ATOM 1581 O SER A 50 0.769 -7.926 30.700 1.00 0.00 O ATOM 1582 CB SER A 50 -0.030 -8.399 33.610 1.00 0.00 C ATOM 1583 OG SER A 50 0.645 -9.504 33.024 1.00 0.00 O ATOM 0 H SER A 50 -0.925 -6.182 34.289 1.00 0.00 H new ATOM 0 HA SER A 50 1.500 -6.974 33.077 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.181 -8.354 34.678 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.108 -8.518 33.503 1.00 0.00 H new ATOM 0 HG SER A 50 0.887 -9.287 32.099 1.00 0.00 H new ATOM 1589 N LEU A 51 -0.847 -6.465 30.969 1.00 0.00 N ATOM 1590 CA LEU A 51 -1.183 -6.506 29.518 1.00 0.00 C ATOM 1591 C LEU A 51 -0.070 -5.793 28.746 1.00 0.00 C ATOM 1592 O LEU A 51 0.230 -6.124 27.616 1.00 0.00 O ATOM 1593 CB LEU A 51 -2.510 -5.778 29.286 1.00 0.00 C ATOM 1594 CG LEU A 51 -3.669 -6.565 29.916 1.00 0.00 C ATOM 1595 CD1 LEU A 51 -4.909 -5.669 29.968 1.00 0.00 C ATOM 1596 CD2 LEU A 51 -3.985 -7.820 29.087 1.00 0.00 C ATOM 0 H LEU A 51 -1.422 -5.838 31.532 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.275 -7.538 29.179 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.464 -4.778 29.717 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.683 -5.656 28.217 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.382 -6.874 30.921 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.737 -6.220 30.414 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.695 -4.786 30.570 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.179 -5.363 28.957 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.809 -8.364 29.550 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.267 -7.527 28.076 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.104 -8.461 29.047 1.00 0.00 H new ATOM 1608 N LYS A 52 0.555 -4.828 29.362 1.00 0.00 N ATOM 1609 CA LYS A 52 1.664 -4.094 28.690 1.00 0.00 C ATOM 1610 C LYS A 52 2.712 -5.110 28.227 1.00 0.00 C ATOM 1611 O LYS A 52 2.740 -6.233 28.690 1.00 0.00 O ATOM 1612 CB LYS A 52 2.277 -3.108 29.693 1.00 0.00 C ATOM 1613 CG LYS A 52 3.434 -2.310 29.070 1.00 0.00 C ATOM 1614 CD LYS A 52 2.941 -1.503 27.860 1.00 0.00 C ATOM 1615 CE LYS A 52 3.914 -0.354 27.578 1.00 0.00 C ATOM 1616 NZ LYS A 52 3.491 0.367 26.343 1.00 0.00 N ATOM 0 H LYS A 52 0.343 -4.514 30.309 1.00 0.00 H new ATOM 0 HA LYS A 52 1.298 -3.541 27.825 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.508 -2.420 30.044 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.639 -3.653 30.565 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.861 -1.637 29.814 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.228 -2.990 28.762 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.863 -2.150 26.986 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.944 -1.109 28.055 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.936 0.334 28.423 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.925 -0.742 27.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.271 0.363 25.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.663 -0.108 25.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.244 1.349 26.581 1.00 0.00 H new ATOM 1630 N THR A 53 3.581 -4.729 27.332 1.00 0.00 N ATOM 1631 CA THR A 53 4.637 -5.670 26.854 1.00 0.00 C ATOM 1632 C THR A 53 5.916 -4.893 26.556 1.00 0.00 C ATOM 1633 O THR A 53 5.886 -3.716 26.255 1.00 0.00 O ATOM 1634 CB THR A 53 4.170 -6.365 25.578 1.00 0.00 C ATOM 1635 OG1 THR A 53 5.281 -6.983 24.946 1.00 0.00 O ATOM 1636 CG2 THR A 53 3.537 -5.340 24.634 1.00 0.00 C ATOM 0 H THR A 53 3.606 -3.802 26.908 1.00 0.00 H new ATOM 0 HA THR A 53 4.827 -6.414 27.627 1.00 0.00 H new ATOM 0 HB THR A 53 3.428 -7.124 25.826 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.984 -7.431 24.127 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.205 -5.840 23.724 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.683 -4.873 25.124 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.272 -4.576 24.381 1.00 0.00 H new ATOM 1644 N ASP A 54 7.042 -5.541 26.643 1.00 0.00 N ATOM 1645 CA ASP A 54 8.334 -4.842 26.367 1.00 0.00 C ATOM 1646 C ASP A 54 8.648 -4.945 24.872 1.00 0.00 C ATOM 1647 O ASP A 54 9.606 -4.376 24.390 1.00 0.00 O ATOM 1648 CB ASP A 54 9.458 -5.512 27.161 1.00 0.00 C ATOM 1649 CG ASP A 54 9.197 -5.353 28.659 1.00 0.00 C ATOM 1650 OD1 ASP A 54 8.420 -4.485 29.018 1.00 0.00 O ATOM 1651 OD2 ASP A 54 9.774 -6.110 29.423 1.00 0.00 O ATOM 0 H ASP A 54 7.128 -6.526 26.893 1.00 0.00 H new ATOM 0 HA ASP A 54 8.253 -3.795 26.661 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.518 -6.569 26.903 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.417 -5.065 26.900 1.00 0.00 H new ATOM 1656 N VAL A 55 7.834 -5.662 24.139 1.00 0.00 N ATOM 1657 CA VAL A 55 8.054 -5.811 22.667 1.00 0.00 C ATOM 1658 C VAL A 55 6.933 -5.070 21.934 1.00 0.00 C ATOM 1659 O VAL A 55 5.768 -5.255 22.225 1.00 0.00 O ATOM 1660 CB VAL A 55 8.014 -7.295 22.298 1.00 0.00 C ATOM 1661 CG1 VAL A 55 8.274 -7.462 20.798 1.00 0.00 C ATOM 1662 CG2 VAL A 55 9.089 -8.047 23.086 1.00 0.00 C ATOM 0 H VAL A 55 7.018 -6.156 24.501 1.00 0.00 H new ATOM 0 HA VAL A 55 9.022 -5.398 22.385 1.00 0.00 H new ATOM 0 HB VAL A 55 7.032 -7.699 22.542 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.245 -8.520 20.539 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.508 -6.929 20.234 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.255 -7.055 20.551 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.060 -9.104 22.823 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.070 -7.639 22.843 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.903 -7.934 24.154 1.00 0.00 H new ATOM 1672 N ILE A 56 7.275 -4.223 20.996 1.00 0.00 N ATOM 1673 CA ILE A 56 6.240 -3.446 20.242 1.00 0.00 C ATOM 1674 C ILE A 56 6.324 -3.779 18.753 1.00 0.00 C ATOM 1675 O ILE A 56 7.381 -3.747 18.154 1.00 0.00 O ATOM 1676 CB ILE A 56 6.484 -1.951 20.468 1.00 0.00 C ATOM 1677 CG1 ILE A 56 6.277 -1.640 21.954 1.00 0.00 C ATOM 1678 CG2 ILE A 56 5.501 -1.129 19.631 1.00 0.00 C ATOM 1679 CD1 ILE A 56 6.871 -0.272 22.290 1.00 0.00 C ATOM 0 H ILE A 56 8.237 -4.034 20.716 1.00 0.00 H new ATOM 0 HA ILE A 56 5.244 -3.709 20.598 1.00 0.00 H new ATOM 0 HB ILE A 56 7.500 -1.695 20.169 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.213 -1.652 22.192 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.749 -2.410 22.564 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.681 -0.067 19.797 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.641 -1.360 18.575 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.480 -1.374 19.924 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.719 -0.059 23.348 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.939 -0.275 22.070 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.379 0.495 21.692 1.00 0.00 H new ATOM 1691 N LYS A 57 5.210 -4.099 18.151 1.00 0.00 N ATOM 1692 CA LYS A 57 5.217 -4.436 16.699 1.00 0.00 C ATOM 1693 C LYS A 57 5.230 -3.144 15.883 1.00 0.00 C ATOM 1694 O LYS A 57 4.465 -2.232 16.126 1.00 0.00 O ATOM 1695 CB LYS A 57 3.975 -5.260 16.345 1.00 0.00 C ATOM 1696 CG LYS A 57 4.036 -5.643 14.863 1.00 0.00 C ATOM 1697 CD LYS A 57 2.947 -6.670 14.530 1.00 0.00 C ATOM 1698 CE LYS A 57 1.571 -5.996 14.478 1.00 0.00 C ATOM 1699 NZ LYS A 57 1.625 -4.797 13.594 1.00 0.00 N ATOM 0 H LYS A 57 4.296 -4.141 18.602 1.00 0.00 H new ATOM 0 HA LYS A 57 6.106 -5.024 16.469 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.929 -6.156 16.964 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.071 -4.685 16.548 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.907 -4.754 14.246 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.017 -6.055 14.628 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.164 -7.141 13.571 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.943 -7.461 15.280 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.826 -6.699 14.106 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.261 -5.705 15.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.694 -4.647 13.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.881 -3.961 14.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.338 -4.945 12.851 1.00 0.00 H new ATOM 1713 N LYS A 58 6.085 -3.068 14.901 1.00 0.00 N ATOM 1714 CA LYS A 58 6.144 -1.847 14.049 1.00 0.00 C ATOM 1715 C LYS A 58 5.080 -1.965 12.956 1.00 0.00 C ATOM 1716 O LYS A 58 4.978 -2.972 12.284 1.00 0.00 O ATOM 1717 CB LYS A 58 7.541 -1.723 13.429 1.00 0.00 C ATOM 1718 CG LYS A 58 8.505 -1.094 14.442 1.00 0.00 C ATOM 1719 CD LYS A 58 8.649 -2.000 15.667 1.00 0.00 C ATOM 1720 CE LYS A 58 9.802 -1.501 16.541 1.00 0.00 C ATOM 1721 NZ LYS A 58 9.553 -0.085 16.935 1.00 0.00 N ATOM 0 H LYS A 58 6.748 -3.802 14.651 1.00 0.00 H new ATOM 0 HA LYS A 58 5.952 -0.956 14.647 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.904 -2.706 13.129 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.496 -1.111 12.528 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.480 -0.938 13.979 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.136 -0.114 14.746 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.721 -2.005 16.239 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.835 -3.027 15.353 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.895 -2.125 17.430 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.744 -1.578 15.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.149 0.158 17.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.784 0.543 16.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.552 0.034 17.190 1.00 0.00 H new ATOM 1735 N ARG A 59 4.271 -0.953 12.793 1.00 0.00 N ATOM 1736 CA ARG A 59 3.188 -1.012 11.769 1.00 0.00 C ATOM 1737 C ARG A 59 3.634 -0.283 10.501 1.00 0.00 C ATOM 1738 O ARG A 59 4.655 0.374 10.473 1.00 0.00 O ATOM 1739 CB ARG A 59 1.933 -0.342 12.330 1.00 0.00 C ATOM 1740 CG ARG A 59 1.500 -1.076 13.601 1.00 0.00 C ATOM 1741 CD ARG A 59 0.224 -0.436 14.151 1.00 0.00 C ATOM 1742 NE ARG A 59 -0.091 -1.003 15.500 1.00 0.00 N ATOM 1743 CZ ARG A 59 -0.274 -2.284 15.685 1.00 0.00 C ATOM 1744 NH1 ARG A 59 -0.348 -3.098 14.667 1.00 0.00 N ATOM 1745 NH2 ARG A 59 -0.435 -2.746 16.894 1.00 0.00 N ATOM 0 H ARG A 59 4.314 -0.085 13.327 1.00 0.00 H new ATOM 0 HA ARG A 59 2.973 -2.052 11.525 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.133 0.706 12.551 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.132 -0.365 11.591 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.326 -2.130 13.384 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.293 -1.031 14.348 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.350 0.644 14.222 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.607 -0.616 13.468 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.165 -0.372 16.298 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.263 -2.736 13.717 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.491 -4.096 14.821 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.418 -2.109 17.690 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.578 -3.745 17.043 1.00 0.00 H new ATOM 1759 N ASN A 60 2.885 -0.426 9.444 1.00 0.00 N ATOM 1760 CA ASN A 60 3.264 0.219 8.157 1.00 0.00 C ATOM 1761 C ASN A 60 3.046 1.728 8.234 1.00 0.00 C ATOM 1762 O ASN A 60 2.743 2.277 9.274 1.00 0.00 O ATOM 1763 CB ASN A 60 2.398 -0.355 7.034 1.00 0.00 C ATOM 1764 CG ASN A 60 0.924 -0.263 7.436 1.00 0.00 C ATOM 1765 OD1 ASN A 60 0.505 0.711 8.029 1.00 0.00 O ATOM 1766 ND2 ASN A 60 0.114 -1.242 7.139 1.00 0.00 N ATOM 0 H ASN A 60 2.020 -0.966 9.417 1.00 0.00 H new ATOM 0 HA ASN A 60 4.318 0.022 7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.570 0.195 6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.671 -1.393 6.843 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.869 -1.189 7.405 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.464 -2.060 6.641 1.00 0.00 H new