USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 511 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 63 SER OG : rot -56:sc= 1.26 USER MOD Set 1.2: A 66 ASN : amide:sc= 1.15 K(o=2.4,f=-6.3!) USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.392 (180deg=-0.681) USER MOD Single : A 60 GLN : amide:sc= -0.753 K(o=-0.75,f=-2.3!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -81:sc= 0.437 USER MOD Single : A 77 HIS : no HD1:sc= -2.05 K(o=-2.1,f=-4.3!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 163:sc= 0.0202 USER MOD Single : A 101 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.6!) USER MOD Single : A 106 LYS NZ :NH3+ -168:sc= -0.0045 (180deg=-0.156) USER MOD Single : A 109 HIS : no HD1:sc= -0.0292 X(o=-0.029,f=-0.16) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 76:sc= 0.416 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot -20:sc= -0.926 USER MOD Single : A 136 ASN : amide:sc= -0.007 K(o=-0.007,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 108.649 16.174 -8.546 1.00 0.34 N ATOM 920 CA LYS A 59 109.001 15.941 -7.144 1.00 0.27 C ATOM 921 C LYS A 59 107.790 15.536 -6.300 1.00 0.21 C ATOM 922 O LYS A 59 106.687 16.051 -6.485 1.00 0.26 O ATOM 923 CB LYS A 59 109.626 17.211 -6.561 1.00 0.50 C ATOM 924 CG LYS A 59 110.153 16.935 -5.149 1.00 1.14 C ATOM 925 CD LYS A 59 110.697 18.230 -4.545 1.00 1.04 C ATOM 926 CE LYS A 59 111.351 17.932 -3.195 1.00 2.05 C ATOM 927 NZ LYS A 59 110.299 17.834 -2.145 1.00 2.60 N ATOM 0 HA LYS A 59 109.712 15.115 -7.115 1.00 0.27 H new ATOM 0 HB2 LYS A 59 110.439 17.553 -7.201 1.00 0.50 H new ATOM 0 HB3 LYS A 59 108.886 18.010 -6.532 1.00 0.50 H new ATOM 0 HG2 LYS A 59 109.355 16.537 -4.523 1.00 1.14 H new ATOM 0 HG3 LYS A 59 110.938 16.180 -5.184 1.00 1.14 H new ATOM 0 HD2 LYS A 59 111.424 18.681 -5.221 1.00 1.04 H new ATOM 0 HD3 LYS A 59 109.890 18.951 -4.418 1.00 1.04 H new ATOM 0 HE2 LYS A 59 111.914 17.000 -3.249 1.00 2.05 H new ATOM 0 HE3 LYS A 59 112.061 18.719 -2.941 1.00 2.05 H new ATOM 0 HZ1 LYS A 59 110.730 17.971 -1.208 1.00 2.60 H new ATOM 0 HZ2 LYS A 59 109.579 18.567 -2.306 1.00 2.60 H new ATOM 0 HZ3 LYS A 59 109.853 16.895 -2.187 1.00 2.60 H new ATOM 941 N GLN A 60 108.015 14.609 -5.369 1.00 0.16 N ATOM 942 CA GLN A 60 107.000 14.251 -4.378 1.00 0.13 C ATOM 943 C GLN A 60 107.648 13.830 -3.063 1.00 0.12 C ATOM 944 O GLN A 60 108.773 13.334 -3.044 1.00 0.13 O ATOM 945 CB GLN A 60 106.111 13.102 -4.861 1.00 0.15 C ATOM 946 CG GLN A 60 105.256 13.553 -6.044 1.00 0.16 C ATOM 947 CD GLN A 60 104.242 12.465 -6.388 1.00 0.21 C ATOM 948 OE1 GLN A 60 104.575 11.510 -7.090 1.00 0.28 O ATOM 949 NE2 GLN A 60 103.021 12.538 -5.923 1.00 0.24 N ATOM 0 H GLN A 60 108.890 14.093 -5.280 1.00 0.16 H new ATOM 0 HA GLN A 60 106.388 15.141 -4.229 1.00 0.13 H new ATOM 0 HB2 GLN A 60 106.729 12.253 -5.153 1.00 0.15 H new ATOM 0 HB3 GLN A 60 105.469 12.764 -4.048 1.00 0.15 H new ATOM 0 HG2 GLN A 60 104.740 14.481 -5.799 1.00 0.16 H new ATOM 0 HG3 GLN A 60 105.890 13.759 -6.906 1.00 0.16 H new ATOM 0 HE21 GLN A 60 102.743 13.328 -5.341 1.00 0.24 H new ATOM 0 HE22 GLN A 60 102.347 11.804 -6.142 1.00 0.24 H new ATOM 958 N ASP A 61 106.922 14.017 -1.965 1.00 0.11 N ATOM 959 CA ASP A 61 107.374 13.524 -0.669 1.00 0.11 C ATOM 960 C ASP A 61 106.702 12.187 -0.371 1.00 0.12 C ATOM 961 O ASP A 61 105.479 12.073 -0.466 1.00 0.15 O ATOM 962 CB ASP A 61 107.019 14.529 0.430 1.00 0.13 C ATOM 963 CG ASP A 61 107.717 15.864 0.185 1.00 0.14 C ATOM 964 OD1 ASP A 61 108.800 15.857 -0.377 1.00 0.14 O ATOM 965 OD2 ASP A 61 107.156 16.879 0.564 1.00 0.16 O ATOM 0 H ASP A 61 106.025 14.502 -1.946 1.00 0.11 H new ATOM 0 HA ASP A 61 108.456 13.394 -0.696 1.00 0.11 H new ATOM 0 HB2 ASP A 61 105.940 14.677 0.459 1.00 0.13 H new ATOM 0 HB3 ASP A 61 107.313 14.132 1.402 1.00 0.13 H new ATOM 970 N ILE A 62 107.489 11.175 -0.010 1.00 0.12 N ATOM 971 CA ILE A 62 106.932 9.848 0.269 1.00 0.16 C ATOM 972 C ILE A 62 107.425 9.321 1.616 1.00 0.13 C ATOM 973 O ILE A 62 108.519 9.659 2.064 1.00 0.12 O ATOM 974 CB ILE A 62 107.298 8.877 -0.862 1.00 0.21 C ATOM 975 CG1 ILE A 62 106.612 7.528 -0.613 1.00 0.26 C ATOM 976 CG2 ILE A 62 108.815 8.676 -0.929 1.00 0.19 C ATOM 977 CD1 ILE A 62 106.460 6.748 -1.924 1.00 0.41 C ATOM 0 H ILE A 62 108.501 11.244 0.096 1.00 0.12 H new ATOM 0 HA ILE A 62 105.846 9.931 0.322 1.00 0.16 H new ATOM 0 HB ILE A 62 106.960 9.296 -1.810 1.00 0.21 H new ATOM 0 HG12 ILE A 62 107.195 6.943 0.098 1.00 0.26 H new ATOM 0 HG13 ILE A 62 105.632 7.690 -0.165 1.00 0.26 H new ATOM 0 HG21 ILE A 62 109.055 7.985 -1.737 1.00 0.19 H new ATOM 0 HG22 ILE A 62 109.301 9.634 -1.115 1.00 0.19 H new ATOM 0 HG23 ILE A 62 109.170 8.266 0.017 1.00 0.19 H new ATOM 0 HD11 ILE A 62 105.971 5.794 -1.725 1.00 0.41 H new ATOM 0 HD12 ILE A 62 105.856 7.326 -2.624 1.00 0.41 H new ATOM 0 HD13 ILE A 62 107.444 6.568 -2.357 1.00 0.41 H new ATOM 989 N SER A 63 106.615 8.475 2.250 1.00 0.14 N ATOM 990 CA SER A 63 106.953 7.971 3.576 1.00 0.13 C ATOM 991 C SER A 63 106.376 6.579 3.813 1.00 0.13 C ATOM 992 O SER A 63 105.529 6.093 3.058 1.00 0.15 O ATOM 993 CB SER A 63 106.422 8.929 4.644 1.00 0.17 C ATOM 994 OG SER A 63 105.003 8.861 4.669 1.00 0.20 O ATOM 0 H SER A 63 105.733 8.129 1.872 1.00 0.14 H new ATOM 0 HA SER A 63 108.039 7.904 3.639 1.00 0.13 H new ATOM 0 HB2 SER A 63 106.828 8.665 5.621 1.00 0.17 H new ATOM 0 HB3 SER A 63 106.745 9.947 4.429 1.00 0.17 H new ATOM 0 HG SER A 63 104.650 9.063 3.777 1.00 0.20 H new ATOM 1000 N GLU A 64 106.837 5.941 4.883 1.00 0.14 N ATOM 1001 CA GLU A 64 106.333 4.627 5.259 1.00 0.15 C ATOM 1002 C GLU A 64 104.814 4.647 5.426 1.00 0.18 C ATOM 1003 O GLU A 64 104.139 3.676 5.091 1.00 0.19 O ATOM 1004 CB GLU A 64 106.988 4.173 6.566 1.00 0.16 C ATOM 1005 CG GLU A 64 106.711 5.199 7.672 1.00 0.18 C ATOM 1006 CD GLU A 64 107.437 4.845 8.975 1.00 0.20 C ATOM 1007 OE1 GLU A 64 108.015 3.771 9.066 1.00 1.10 O ATOM 1008 OE2 GLU A 64 107.398 5.664 9.878 1.00 1.06 O ATOM 0 H GLU A 64 107.557 6.312 5.503 1.00 0.14 H new ATOM 0 HA GLU A 64 106.582 3.927 4.461 1.00 0.15 H new ATOM 0 HB2 GLU A 64 106.600 3.197 6.858 1.00 0.16 H new ATOM 0 HB3 GLU A 64 108.063 4.059 6.424 1.00 0.16 H new ATOM 0 HG2 GLU A 64 107.026 6.187 7.338 1.00 0.18 H new ATOM 0 HG3 GLU A 64 105.638 5.253 7.857 1.00 0.18 H new ATOM 1015 N ALA A 65 104.272 5.761 5.914 1.00 0.19 N ATOM 1016 CA ALA A 65 102.832 5.869 6.119 1.00 0.23 C ATOM 1017 C ALA A 65 102.083 5.676 4.803 1.00 0.24 C ATOM 1018 O ALA A 65 101.036 5.029 4.766 1.00 0.29 O ATOM 1019 CB ALA A 65 102.491 7.238 6.707 1.00 0.25 C ATOM 0 H ALA A 65 104.803 6.593 6.172 1.00 0.19 H new ATOM 0 HA ALA A 65 102.524 5.087 6.814 1.00 0.23 H new ATOM 0 HB1 ALA A 65 101.414 7.311 6.857 1.00 0.25 H new ATOM 0 HB2 ALA A 65 103.000 7.360 7.663 1.00 0.25 H new ATOM 0 HB3 ALA A 65 102.816 8.020 6.020 1.00 0.25 H new ATOM 1025 N ASN A 66 102.622 6.238 3.725 1.00 0.23 N ATOM 1026 CA ASN A 66 101.973 6.139 2.421 1.00 0.27 C ATOM 1027 C ASN A 66 101.962 4.700 1.916 1.00 0.27 C ATOM 1028 O ASN A 66 100.937 4.201 1.451 1.00 0.32 O ATOM 1029 CB ASN A 66 102.710 7.011 1.402 1.00 0.31 C ATOM 1030 CG ASN A 66 102.747 8.459 1.877 1.00 0.29 C ATOM 1031 OD1 ASN A 66 103.799 8.957 2.279 1.00 0.28 O ATOM 1032 ND2 ASN A 66 101.655 9.171 1.843 1.00 0.30 N ATOM 0 H ASN A 66 103.497 6.762 3.727 1.00 0.23 H new ATOM 0 HA ASN A 66 100.945 6.481 2.537 1.00 0.27 H new ATOM 0 HB2 ASN A 66 103.726 6.640 1.262 1.00 0.31 H new ATOM 0 HB3 ASN A 66 102.213 6.951 0.434 1.00 0.31 H new ATOM 0 HD21 ASN A 66 101.671 10.144 2.150 1.00 0.30 H new ATOM 0 HD22 ASN A 66 100.785 8.755 1.509 1.00 0.30 H new ATOM 1039 N LEU A 67 103.110 4.039 2.013 1.00 0.23 N ATOM 1040 CA LEU A 67 103.262 2.698 1.446 1.00 0.24 C ATOM 1041 C LEU A 67 102.855 1.573 2.407 1.00 0.26 C ATOM 1042 O LEU A 67 102.783 0.416 1.994 1.00 0.33 O ATOM 1043 CB LEU A 67 104.719 2.508 0.996 1.00 0.25 C ATOM 1044 CG LEU A 67 104.922 3.014 -0.442 1.00 0.31 C ATOM 1045 CD1 LEU A 67 104.542 4.494 -0.564 1.00 0.93 C ATOM 1046 CD2 LEU A 67 106.393 2.850 -0.826 1.00 1.05 C ATOM 0 H LEU A 67 103.944 4.403 2.474 1.00 0.23 H new ATOM 0 HA LEU A 67 102.581 2.628 0.598 1.00 0.24 H new ATOM 0 HB2 LEU A 67 105.385 3.045 1.672 1.00 0.25 H new ATOM 0 HB3 LEU A 67 104.987 1.453 1.055 1.00 0.25 H new ATOM 0 HG LEU A 67 104.282 2.433 -1.106 1.00 0.31 H new ATOM 0 HD11 LEU A 67 104.695 4.826 -1.591 1.00 0.93 H new ATOM 0 HD12 LEU A 67 103.494 4.624 -0.293 1.00 0.93 H new ATOM 0 HD13 LEU A 67 105.166 5.086 0.105 1.00 0.93 H new ATOM 0 HD21 LEU A 67 106.545 3.207 -1.845 1.00 1.05 H new ATOM 0 HD22 LEU A 67 107.014 3.429 -0.142 1.00 1.05 H new ATOM 0 HD23 LEU A 67 106.670 1.797 -0.765 1.00 1.05 H new ATOM 1058 N ALA A 68 102.589 1.891 3.675 1.00 0.25 N ATOM 1059 CA ALA A 68 102.180 0.873 4.641 1.00 0.27 C ATOM 1060 C ALA A 68 103.322 -0.136 4.834 1.00 0.27 C ATOM 1061 O ALA A 68 104.481 0.210 4.612 1.00 0.23 O ATOM 1062 CB ALA A 68 100.886 0.199 4.157 1.00 0.32 C ATOM 0 H ALA A 68 102.649 2.836 4.053 1.00 0.25 H new ATOM 0 HA ALA A 68 101.973 1.328 5.610 1.00 0.27 H new ATOM 0 HB1 ALA A 68 100.580 -0.560 4.877 1.00 0.32 H new ATOM 0 HB2 ALA A 68 100.099 0.947 4.063 1.00 0.32 H new ATOM 0 HB3 ALA A 68 101.060 -0.269 3.188 1.00 0.32 H new ATOM 1068 N TYR A 69 103.019 -1.376 5.219 1.00 0.30 N ATOM 1069 CA TYR A 69 104.063 -2.371 5.472 1.00 0.31 C ATOM 1070 C TYR A 69 104.975 -2.584 4.256 1.00 0.28 C ATOM 1071 O TYR A 69 106.100 -3.062 4.400 1.00 0.27 O ATOM 1072 CB TYR A 69 103.417 -3.700 5.865 1.00 0.38 C ATOM 1073 CG TYR A 69 102.590 -3.613 7.125 1.00 1.16 C ATOM 1074 CD1 TYR A 69 103.215 -3.642 8.377 1.00 2.01 C ATOM 1075 CD2 TYR A 69 101.197 -3.500 7.041 1.00 1.92 C ATOM 1076 CE1 TYR A 69 102.448 -3.558 9.545 1.00 2.82 C ATOM 1077 CE2 TYR A 69 100.429 -3.415 8.209 1.00 2.74 C ATOM 1078 CZ TYR A 69 101.055 -3.444 9.461 1.00 3.01 C ATOM 1079 OH TYR A 69 100.299 -3.362 10.613 1.00 3.94 O ATOM 0 H TYR A 69 102.067 -1.714 5.362 1.00 0.30 H new ATOM 0 HA TYR A 69 104.684 -1.994 6.285 1.00 0.31 H new ATOM 0 HB2 TYR A 69 102.785 -4.044 5.047 1.00 0.38 H new ATOM 0 HB3 TYR A 69 104.197 -4.449 6.002 1.00 0.38 H new ATOM 0 HD1 TYR A 69 104.290 -3.729 8.442 1.00 2.01 H new ATOM 0 HD2 TYR A 69 100.715 -3.478 6.075 1.00 1.92 H new ATOM 0 HE1 TYR A 69 102.931 -3.581 10.511 1.00 2.82 H new ATOM 0 HE2 TYR A 69 99.355 -3.327 8.144 1.00 2.74 H new ATOM 0 HH TYR A 69 99.351 -3.286 10.377 1.00 3.94 H new ATOM 1089 N LEU A 70 104.495 -2.234 3.064 1.00 0.28 N ATOM 1090 CA LEU A 70 105.285 -2.385 1.841 1.00 0.28 C ATOM 1091 C LEU A 70 106.599 -1.593 1.889 1.00 0.22 C ATOM 1092 O LEU A 70 107.528 -1.887 1.137 1.00 0.22 O ATOM 1093 CB LEU A 70 104.466 -1.924 0.631 1.00 0.31 C ATOM 1094 CG LEU A 70 103.151 -2.707 0.549 1.00 1.01 C ATOM 1095 CD1 LEU A 70 102.317 -2.177 -0.617 1.00 1.67 C ATOM 1096 CD2 LEU A 70 103.443 -4.193 0.319 1.00 1.52 C ATOM 0 H LEU A 70 103.564 -1.844 2.918 1.00 0.28 H new ATOM 0 HA LEU A 70 105.536 -3.442 1.752 1.00 0.28 H new ATOM 0 HB2 LEU A 70 104.257 -0.857 0.710 1.00 0.31 H new ATOM 0 HB3 LEU A 70 105.042 -2.070 -0.283 1.00 0.31 H new ATOM 0 HG LEU A 70 102.604 -2.585 1.484 1.00 1.01 H new ATOM 0 HD11 LEU A 70 101.381 -2.733 -0.677 1.00 1.67 H new ATOM 0 HD12 LEU A 70 102.102 -1.120 -0.460 1.00 1.67 H new ATOM 0 HD13 LEU A 70 102.872 -2.300 -1.547 1.00 1.67 H new ATOM 0 HD21 LEU A 70 102.504 -4.744 0.262 1.00 1.52 H new ATOM 0 HD22 LEU A 70 103.993 -4.316 -0.614 1.00 1.52 H new ATOM 0 HD23 LEU A 70 104.040 -4.579 1.145 1.00 1.52 H new ATOM 1108 N TRP A 71 106.681 -0.593 2.766 1.00 0.19 N ATOM 1109 CA TRP A 71 107.859 0.261 2.853 1.00 0.15 C ATOM 1110 C TRP A 71 109.116 -0.591 3.088 1.00 0.14 C ATOM 1111 O TRP A 71 109.253 -1.173 4.165 1.00 0.18 O ATOM 1112 CB TRP A 71 107.675 1.218 4.030 1.00 0.14 C ATOM 1113 CG TRP A 71 108.659 2.343 4.058 1.00 0.11 C ATOM 1114 CD1 TRP A 71 109.595 2.523 5.015 1.00 0.10 C ATOM 1115 CD2 TRP A 71 108.821 3.443 3.114 1.00 0.11 C ATOM 1116 NE1 TRP A 71 110.307 3.673 4.735 1.00 0.09 N ATOM 1117 CE2 TRP A 71 109.876 4.271 3.567 1.00 0.09 C ATOM 1118 CE3 TRP A 71 108.162 3.801 1.926 1.00 0.13 C ATOM 1119 CZ2 TRP A 71 110.264 5.416 2.862 1.00 0.11 C ATOM 1120 CZ3 TRP A 71 108.548 4.946 1.215 1.00 0.14 C ATOM 1121 CH2 TRP A 71 109.596 5.753 1.682 1.00 0.13 C ATOM 0 H TRP A 71 105.941 -0.356 3.427 1.00 0.19 H new ATOM 0 HA TRP A 71 107.978 0.815 1.922 1.00 0.15 H new ATOM 0 HB2 TRP A 71 106.667 1.631 3.995 1.00 0.14 H new ATOM 0 HB3 TRP A 71 107.756 0.654 4.959 1.00 0.14 H new ATOM 0 HD1 TRP A 71 109.760 1.873 5.862 1.00 0.10 H new ATOM 0 HE1 TRP A 71 111.060 4.036 5.320 1.00 0.09 H new ATOM 0 HE3 TRP A 71 107.352 3.189 1.558 1.00 0.13 H new ATOM 0 HZ2 TRP A 71 111.072 6.033 3.227 1.00 0.11 H new ATOM 0 HZ3 TRP A 71 108.035 5.208 0.302 1.00 0.14 H new ATOM 0 HH2 TRP A 71 109.886 6.634 1.130 1.00 0.13 H new ATOM 1132 N PRO A 72 110.034 -0.688 2.145 1.00 0.15 N ATOM 1133 CA PRO A 72 111.215 -1.592 2.283 1.00 0.18 C ATOM 1134 C PRO A 72 112.428 -0.940 2.947 1.00 0.15 C ATOM 1135 O PRO A 72 113.387 -1.632 3.290 1.00 0.19 O ATOM 1136 CB PRO A 72 111.529 -1.959 0.836 1.00 0.24 C ATOM 1137 CG PRO A 72 111.169 -0.745 0.047 1.00 0.24 C ATOM 1138 CD PRO A 72 110.099 0.007 0.843 1.00 0.19 C ATOM 0 HA PRO A 72 110.992 -2.439 2.932 1.00 0.18 H new ATOM 0 HB2 PRO A 72 112.582 -2.213 0.712 1.00 0.24 H new ATOM 0 HB3 PRO A 72 110.952 -2.826 0.514 1.00 0.24 H new ATOM 0 HG2 PRO A 72 112.044 -0.115 -0.112 1.00 0.24 H new ATOM 0 HG3 PRO A 72 110.793 -1.023 -0.938 1.00 0.24 H new ATOM 0 HD2 PRO A 72 110.365 1.057 0.968 1.00 0.19 H new ATOM 0 HD3 PRO A 72 109.136 -0.019 0.333 1.00 0.19 H new ATOM 1146 N LEU A 73 112.418 0.386 3.079 1.00 0.11 N ATOM 1147 CA LEU A 73 113.580 1.095 3.609 1.00 0.10 C ATOM 1148 C LEU A 73 113.537 1.186 5.130 1.00 0.11 C ATOM 1149 O LEU A 73 112.474 1.343 5.730 1.00 0.11 O ATOM 1150 CB LEU A 73 113.644 2.512 3.037 1.00 0.09 C ATOM 1151 CG LEU A 73 113.648 2.476 1.508 1.00 0.10 C ATOM 1152 CD1 LEU A 73 113.651 3.914 0.988 1.00 0.11 C ATOM 1153 CD2 LEU A 73 114.904 1.755 1.006 1.00 0.10 C ATOM 0 H LEU A 73 111.630 0.983 2.830 1.00 0.11 H new ATOM 0 HA LEU A 73 114.464 0.529 3.314 1.00 0.10 H new ATOM 0 HB2 LEU A 73 112.791 3.091 3.390 1.00 0.09 H new ATOM 0 HB3 LEU A 73 114.542 3.015 3.397 1.00 0.09 H new ATOM 0 HG LEU A 73 112.766 1.944 1.150 1.00 0.10 H new ATOM 0 HD11 LEU A 73 113.654 3.907 -0.102 1.00 0.11 H new ATOM 0 HD12 LEU A 73 112.761 4.432 1.345 1.00 0.11 H new ATOM 0 HD13 LEU A 73 114.540 4.430 1.350 1.00 0.11 H new ATOM 0 HD21 LEU A 73 114.900 1.733 -0.084 1.00 0.10 H new ATOM 0 HD22 LEU A 73 115.791 2.284 1.355 1.00 0.10 H new ATOM 0 HD23 LEU A 73 114.915 0.735 1.389 1.00 0.10 H new ATOM 1165 N THR A 74 114.713 1.086 5.739 1.00 0.12 N ATOM 1166 CA THR A 74 114.850 1.246 7.181 1.00 0.14 C ATOM 1167 C THR A 74 114.569 2.688 7.596 1.00 0.14 C ATOM 1168 O THR A 74 113.984 2.923 8.654 1.00 0.15 O ATOM 1169 CB THR A 74 116.263 0.854 7.622 1.00 0.16 C ATOM 1170 OG1 THR A 74 117.205 1.720 7.007 1.00 0.17 O ATOM 1171 CG2 THR A 74 116.549 -0.592 7.211 1.00 0.16 C ATOM 0 H THR A 74 115.589 0.894 5.253 1.00 0.12 H new ATOM 0 HA THR A 74 114.123 0.594 7.665 1.00 0.14 H new ATOM 0 HB THR A 74 116.342 0.940 8.706 1.00 0.16 H new ATOM 0 HG1 THR A 74 117.372 1.422 6.089 1.00 0.17 H new ATOM 0 HG21 THR A 74 117.555 -0.868 7.526 1.00 0.16 H new ATOM 0 HG22 THR A 74 115.826 -1.255 7.686 1.00 0.16 H new ATOM 0 HG23 THR A 74 116.470 -0.685 6.128 1.00 0.16 H new ATOM 1179 N VAL A 75 114.983 3.653 6.769 1.00 0.14 N ATOM 1180 CA VAL A 75 114.671 5.050 7.053 1.00 0.15 C ATOM 1181 C VAL A 75 113.171 5.243 6.904 1.00 0.13 C ATOM 1182 O VAL A 75 112.588 4.842 5.901 1.00 0.11 O ATOM 1183 CB VAL A 75 115.426 5.996 6.113 1.00 0.16 C ATOM 1184 CG1 VAL A 75 116.931 5.827 6.324 1.00 0.15 C ATOM 1185 CG2 VAL A 75 115.081 5.682 4.656 1.00 0.17 C ATOM 0 H VAL A 75 115.522 3.495 5.918 1.00 0.14 H new ATOM 0 HA VAL A 75 114.986 5.289 8.069 1.00 0.15 H new ATOM 0 HB VAL A 75 115.133 7.022 6.334 1.00 0.16 H new ATOM 0 HG11 VAL A 75 117.470 6.499 5.656 1.00 0.15 H new ATOM 0 HG12 VAL A 75 117.182 6.064 7.358 1.00 0.15 H new ATOM 0 HG13 VAL A 75 117.215 4.797 6.109 1.00 0.15 H new ATOM 0 HG21 VAL A 75 115.624 6.361 3.999 1.00 0.17 H new ATOM 0 HG22 VAL A 75 115.363 4.654 4.429 1.00 0.17 H new ATOM 0 HG23 VAL A 75 114.009 5.807 4.501 1.00 0.17 H new ATOM 1195 N ASP A 76 112.545 5.840 7.910 1.00 0.14 N ATOM 1196 CA ASP A 76 111.088 5.877 7.965 1.00 0.14 C ATOM 1197 C ASP A 76 110.490 6.604 6.769 1.00 0.13 C ATOM 1198 O ASP A 76 109.391 6.262 6.332 1.00 0.13 O ATOM 1199 CB ASP A 76 110.626 6.542 9.264 1.00 0.16 C ATOM 1200 CG ASP A 76 111.051 5.708 10.470 1.00 1.03 C ATOM 1201 OD1 ASP A 76 111.112 4.495 10.343 1.00 1.80 O ATOM 1202 OD2 ASP A 76 111.312 6.297 11.507 1.00 1.75 O ATOM 0 H ASP A 76 113.015 6.300 8.690 1.00 0.14 H new ATOM 0 HA ASP A 76 110.734 4.846 7.936 1.00 0.14 H new ATOM 0 HB2 ASP A 76 111.051 7.543 9.338 1.00 0.16 H new ATOM 0 HB3 ASP A 76 109.542 6.655 9.256 1.00 0.16 H new ATOM 1207 N HIS A 77 111.186 7.615 6.256 1.00 0.12 N ATOM 1208 CA HIS A 77 110.674 8.357 5.111 1.00 0.12 C ATOM 1209 C HIS A 77 111.812 8.836 4.225 1.00 0.11 C ATOM 1210 O HIS A 77 112.982 8.626 4.538 1.00 0.11 O ATOM 1211 CB HIS A 77 109.833 9.546 5.582 1.00 0.16 C ATOM 1212 CG HIS A 77 110.546 10.451 6.548 1.00 0.25 C ATOM 1213 ND1 HIS A 77 111.025 10.001 7.768 1.00 0.37 N ATOM 1214 CD2 HIS A 77 110.854 11.790 6.496 1.00 0.37 C ATOM 1215 CE1 HIS A 77 111.588 11.048 8.394 1.00 0.47 C ATOM 1216 NE2 HIS A 77 111.513 12.164 7.664 1.00 0.46 N ATOM 0 H HIS A 77 112.089 7.934 6.608 1.00 0.12 H new ATOM 0 HA HIS A 77 110.042 7.689 4.526 1.00 0.12 H new ATOM 0 HB2 HIS A 77 109.526 10.128 4.713 1.00 0.16 H new ATOM 0 HB3 HIS A 77 108.924 9.172 6.053 1.00 0.16 H new ATOM 0 HD2 HIS A 77 110.620 12.451 5.674 1.00 0.37 H new ATOM 0 HE1 HIS A 77 112.046 10.994 9.370 1.00 0.47 H new ATOM 0 HE2 HIS A 77 111.863 13.090 7.909 1.00 0.46 H new ATOM 1224 N GLY A 78 111.451 9.423 3.092 1.00 0.10 N ATOM 1225 CA GLY A 78 112.425 10.014 2.191 1.00 0.10 C ATOM 1226 C GLY A 78 111.709 10.784 1.089 1.00 0.09 C ATOM 1227 O GLY A 78 110.511 10.607 0.861 1.00 0.09 O ATOM 0 H GLY A 78 110.484 9.502 2.776 1.00 0.10 H new ATOM 0 HA2 GLY A 78 113.086 10.682 2.743 1.00 0.10 H new ATOM 0 HA3 GLY A 78 113.050 9.235 1.755 1.00 0.10 H new ATOM 1231 N THR A 79 112.440 11.665 0.422 1.00 0.10 N ATOM 1232 CA THR A 79 111.864 12.466 -0.653 1.00 0.10 C ATOM 1233 C THR A 79 112.421 12.023 -2.001 1.00 0.10 C ATOM 1234 O THR A 79 113.599 11.701 -2.114 1.00 0.10 O ATOM 1235 CB THR A 79 112.179 13.945 -0.424 1.00 0.11 C ATOM 1236 OG1 THR A 79 111.958 14.266 0.942 1.00 0.11 O ATOM 1237 CG2 THR A 79 111.249 14.785 -1.300 1.00 0.12 C ATOM 0 H THR A 79 113.428 11.844 0.603 1.00 0.10 H new ATOM 0 HA THR A 79 110.783 12.323 -0.655 1.00 0.10 H new ATOM 0 HB THR A 79 113.218 14.150 -0.680 1.00 0.11 H new ATOM 0 HG1 THR A 79 112.161 15.213 1.092 1.00 0.11 H new ATOM 0 HG21 THR A 79 111.462 15.843 -1.147 1.00 0.12 H new ATOM 0 HG22 THR A 79 111.408 14.531 -2.348 1.00 0.12 H new ATOM 0 HG23 THR A 79 110.213 14.581 -1.030 1.00 0.12 H new ATOM 1245 N ILE A 80 111.570 12.008 -3.023 1.00 0.10 N ATOM 1246 CA ILE A 80 111.992 11.591 -4.359 1.00 0.11 C ATOM 1247 C ILE A 80 112.003 12.789 -5.299 1.00 0.12 C ATOM 1248 O ILE A 80 111.092 13.618 -5.268 1.00 0.14 O ATOM 1249 CB ILE A 80 111.051 10.504 -4.892 1.00 0.11 C ATOM 1250 CG1 ILE A 80 109.599 11.000 -4.877 1.00 0.13 C ATOM 1251 CG2 ILE A 80 111.174 9.264 -4.006 1.00 0.11 C ATOM 1252 CD1 ILE A 80 108.696 9.988 -5.585 1.00 0.11 C ATOM 0 H ILE A 80 110.589 12.278 -2.954 1.00 0.10 H new ATOM 0 HA ILE A 80 113.001 11.182 -4.302 1.00 0.11 H new ATOM 0 HB ILE A 80 111.327 10.262 -5.918 1.00 0.11 H new ATOM 0 HG12 ILE A 80 109.265 11.142 -3.849 1.00 0.13 H new ATOM 0 HG13 ILE A 80 109.531 11.969 -5.371 1.00 0.13 H new ATOM 0 HG21 ILE A 80 110.508 8.484 -4.377 1.00 0.11 H new ATOM 0 HG22 ILE A 80 112.202 8.903 -4.026 1.00 0.11 H new ATOM 0 HG23 ILE A 80 110.899 9.519 -2.983 1.00 0.11 H new ATOM 0 HD11 ILE A 80 107.667 10.346 -5.571 1.00 0.11 H new ATOM 0 HD12 ILE A 80 109.024 9.868 -6.617 1.00 0.11 H new ATOM 0 HD13 ILE A 80 108.753 9.028 -5.072 1.00 0.11 H new ATOM 1264 N GLU A 81 113.045 12.887 -6.122 1.00 0.12 N ATOM 1265 CA GLU A 81 113.172 14.031 -7.018 1.00 0.14 C ATOM 1266 C GLU A 81 113.866 13.663 -8.324 1.00 0.10 C ATOM 1267 O GLU A 81 114.773 12.830 -8.357 1.00 0.10 O ATOM 1268 CB GLU A 81 113.952 15.148 -6.321 1.00 0.19 C ATOM 1269 CG GLU A 81 113.924 16.416 -7.184 1.00 1.31 C ATOM 1270 CD GLU A 81 114.762 17.544 -6.572 1.00 1.35 C ATOM 1271 OE1 GLU A 81 115.369 17.343 -5.529 1.00 0.75 O ATOM 1272 OE2 GLU A 81 114.786 18.610 -7.166 1.00 2.18 O ATOM 0 H GLU A 81 113.799 12.203 -6.187 1.00 0.12 H new ATOM 0 HA GLU A 81 112.165 14.370 -7.262 1.00 0.14 H new ATOM 0 HB2 GLU A 81 113.517 15.353 -5.343 1.00 0.19 H new ATOM 0 HB3 GLU A 81 114.982 14.834 -6.152 1.00 0.19 H new ATOM 0 HG2 GLU A 81 114.300 16.185 -8.181 1.00 1.31 H new ATOM 0 HG3 GLU A 81 112.894 16.752 -7.302 1.00 1.31 H new ATOM 1279 N CYS A 82 113.403 14.288 -9.402 1.00 0.13 N ATOM 1280 CA CYS A 82 114.057 14.172 -10.699 1.00 0.15 C ATOM 1281 C CYS A 82 114.803 15.467 -11.011 1.00 0.19 C ATOM 1282 O CYS A 82 114.197 16.535 -11.090 1.00 0.19 O ATOM 1283 CB CYS A 82 113.015 13.905 -11.789 1.00 0.22 C ATOM 1284 SG CYS A 82 112.463 12.184 -11.691 1.00 0.20 S ATOM 0 H CYS A 82 112.574 14.882 -9.402 1.00 0.13 H new ATOM 0 HA CYS A 82 114.763 13.342 -10.670 1.00 0.15 H new ATOM 0 HB2 CYS A 82 112.166 14.578 -11.667 1.00 0.22 H new ATOM 0 HB3 CYS A 82 113.442 14.105 -12.772 1.00 0.22 H new ATOM 1359 N ALA A 88 117.123 10.139 -11.754 1.00 0.22 N ATOM 1360 CA ALA A 88 116.182 9.907 -10.665 1.00 0.20 C ATOM 1361 C ALA A 88 116.929 9.474 -9.411 1.00 0.14 C ATOM 1362 O ALA A 88 117.621 8.454 -9.414 1.00 0.12 O ATOM 1363 CB ALA A 88 115.178 8.824 -11.060 1.00 0.25 C ATOM 0 HA ALA A 88 115.648 10.836 -10.463 1.00 0.20 H new ATOM 0 HB1 ALA A 88 114.480 8.658 -10.240 1.00 0.25 H new ATOM 0 HB2 ALA A 88 114.628 9.143 -11.946 1.00 0.25 H new ATOM 0 HB3 ALA A 88 115.709 7.897 -11.277 1.00 0.25 H new ATOM 1369 N VAL A 89 116.777 10.240 -8.332 1.00 0.12 N ATOM 1370 CA VAL A 89 117.471 9.932 -7.084 1.00 0.09 C ATOM 1371 C VAL A 89 116.520 9.987 -5.889 1.00 0.10 C ATOM 1372 O VAL A 89 115.481 10.649 -5.924 1.00 0.11 O ATOM 1373 CB VAL A 89 118.616 10.923 -6.860 1.00 0.09 C ATOM 1374 CG1 VAL A 89 119.638 10.793 -7.990 1.00 0.10 C ATOM 1375 CG2 VAL A 89 118.064 12.351 -6.838 1.00 0.11 C ATOM 0 H VAL A 89 116.186 11.070 -8.296 1.00 0.12 H new ATOM 0 HA VAL A 89 117.867 8.920 -7.168 1.00 0.09 H new ATOM 0 HB VAL A 89 119.098 10.704 -5.907 1.00 0.09 H new ATOM 0 HG11 VAL A 89 120.452 11.500 -7.828 1.00 0.10 H new ATOM 0 HG12 VAL A 89 120.036 9.778 -8.006 1.00 0.10 H new ATOM 0 HG13 VAL A 89 119.156 11.008 -8.943 1.00 0.10 H new ATOM 0 HG21 VAL A 89 118.881 13.055 -6.678 1.00 0.11 H new ATOM 0 HG22 VAL A 89 117.579 12.568 -7.790 1.00 0.11 H new ATOM 0 HG23 VAL A 89 117.339 12.448 -6.030 1.00 0.11 H new ATOM 1385 N PHE A 90 116.913 9.285 -4.831 1.00 0.10 N ATOM 1386 CA PHE A 90 116.154 9.235 -3.586 1.00 0.10 C ATOM 1387 C PHE A 90 116.947 9.903 -2.466 1.00 0.10 C ATOM 1388 O PHE A 90 118.105 9.571 -2.239 1.00 0.11 O ATOM 1389 CB PHE A 90 115.893 7.767 -3.230 1.00 0.10 C ATOM 1390 CG PHE A 90 115.191 7.551 -1.908 1.00 0.10 C ATOM 1391 CD1 PHE A 90 113.818 7.793 -1.791 1.00 0.09 C ATOM 1392 CD2 PHE A 90 115.916 7.089 -0.803 1.00 0.11 C ATOM 1393 CE1 PHE A 90 113.169 7.574 -0.569 1.00 0.09 C ATOM 1394 CE2 PHE A 90 115.268 6.870 0.418 1.00 0.11 C ATOM 1395 CZ PHE A 90 113.895 7.111 0.534 1.00 0.10 C ATOM 0 H PHE A 90 117.770 8.733 -4.813 1.00 0.10 H new ATOM 0 HA PHE A 90 115.208 9.763 -3.709 1.00 0.10 H new ATOM 0 HB2 PHE A 90 115.294 7.317 -4.021 1.00 0.10 H new ATOM 0 HB3 PHE A 90 116.845 7.237 -3.211 1.00 0.10 H new ATOM 0 HD1 PHE A 90 113.258 8.149 -2.643 1.00 0.09 H new ATOM 0 HD2 PHE A 90 116.976 6.902 -0.893 1.00 0.11 H new ATOM 0 HE1 PHE A 90 112.109 7.762 -0.478 1.00 0.09 H new ATOM 0 HE2 PHE A 90 115.828 6.515 1.271 1.00 0.11 H new ATOM 0 HZ PHE A 90 113.395 6.940 1.476 1.00 0.10 H new ATOM 1405 N VAL A 91 116.321 10.845 -1.772 1.00 0.10 N ATOM 1406 CA VAL A 91 116.982 11.554 -0.676 1.00 0.11 C ATOM 1407 C VAL A 91 116.386 11.100 0.650 1.00 0.10 C ATOM 1408 O VAL A 91 115.168 11.095 0.814 1.00 0.11 O ATOM 1409 CB VAL A 91 116.782 13.069 -0.842 1.00 0.12 C ATOM 1410 CG1 VAL A 91 117.457 13.857 0.300 1.00 0.13 C ATOM 1411 CG2 VAL A 91 117.350 13.507 -2.199 1.00 0.13 C ATOM 0 H VAL A 91 115.359 11.137 -1.945 1.00 0.10 H new ATOM 0 HA VAL A 91 118.049 11.332 -0.691 1.00 0.11 H new ATOM 0 HB VAL A 91 115.714 13.285 -0.801 1.00 0.12 H new ATOM 0 HG11 VAL A 91 117.295 14.925 0.150 1.00 0.13 H new ATOM 0 HG12 VAL A 91 117.026 13.555 1.255 1.00 0.13 H new ATOM 0 HG13 VAL A 91 118.527 13.649 0.303 1.00 0.13 H new ATOM 0 HG21 VAL A 91 117.211 14.581 -2.322 1.00 0.13 H new ATOM 0 HG22 VAL A 91 118.413 13.272 -2.241 1.00 0.13 H new ATOM 0 HG23 VAL A 91 116.830 12.980 -2.999 1.00 0.13 H new ATOM 1421 N ALA A 92 117.244 10.741 1.600 1.00 0.10 N ATOM 1422 CA ALA A 92 116.766 10.323 2.917 1.00 0.11 C ATOM 1423 C ALA A 92 116.898 11.467 3.927 1.00 0.12 C ATOM 1424 O ALA A 92 117.737 12.345 3.743 1.00 0.13 O ATOM 1425 CB ALA A 92 117.568 9.116 3.405 1.00 0.10 C ATOM 0 H ALA A 92 118.258 10.730 1.488 1.00 0.10 H new ATOM 0 HA ALA A 92 115.714 10.050 2.830 1.00 0.11 H new ATOM 0 HB1 ALA A 92 117.206 8.811 4.387 1.00 0.10 H new ATOM 0 HB2 ALA A 92 117.449 8.292 2.702 1.00 0.10 H new ATOM 0 HB3 ALA A 92 118.622 9.384 3.475 1.00 0.10 H new ATOM 1431 N PRO A 93 116.104 11.489 4.980 1.00 0.13 N ATOM 1432 CA PRO A 93 116.194 12.576 6.005 1.00 0.15 C ATOM 1433 C PRO A 93 117.621 12.839 6.480 1.00 0.16 C ATOM 1434 O PRO A 93 117.944 13.946 6.911 1.00 0.18 O ATOM 1435 CB PRO A 93 115.334 12.076 7.168 1.00 0.15 C ATOM 1436 CG PRO A 93 114.370 11.112 6.572 1.00 0.14 C ATOM 1437 CD PRO A 93 115.026 10.536 5.318 1.00 0.12 C ATOM 0 HA PRO A 93 115.857 13.525 5.589 1.00 0.15 H new ATOM 0 HB2 PRO A 93 115.948 11.595 7.930 1.00 0.15 H new ATOM 0 HB3 PRO A 93 114.813 12.902 7.653 1.00 0.15 H new ATOM 0 HG2 PRO A 93 114.131 10.319 7.280 1.00 0.14 H new ATOM 0 HG3 PRO A 93 113.433 11.609 6.322 1.00 0.14 H new ATOM 0 HD2 PRO A 93 115.424 9.539 5.503 1.00 0.12 H new ATOM 0 HD3 PRO A 93 114.308 10.446 4.503 1.00 0.12 H new ATOM 1445 N ASP A 94 118.471 11.822 6.400 1.00 0.15 N ATOM 1446 CA ASP A 94 119.851 11.956 6.863 1.00 0.16 C ATOM 1447 C ASP A 94 120.654 12.986 6.053 1.00 0.16 C ATOM 1448 O ASP A 94 121.745 13.380 6.468 1.00 0.18 O ATOM 1449 CB ASP A 94 120.543 10.585 6.809 1.00 0.15 C ATOM 1450 CG ASP A 94 120.442 9.946 5.418 1.00 0.13 C ATOM 1451 OD1 ASP A 94 120.042 10.622 4.486 1.00 0.12 O ATOM 1452 OD2 ASP A 94 120.778 8.777 5.301 1.00 0.12 O ATOM 0 H ASP A 94 118.235 10.904 6.023 1.00 0.15 H new ATOM 0 HA ASP A 94 119.817 12.322 7.889 1.00 0.16 H new ATOM 0 HB2 ASP A 94 121.592 10.697 7.081 1.00 0.15 H new ATOM 0 HB3 ASP A 94 120.092 9.922 7.547 1.00 0.15 H new ATOM 1457 N GLY A 95 120.129 13.426 4.909 1.00 0.15 N ATOM 1458 CA GLY A 95 120.851 14.360 4.040 1.00 0.16 C ATOM 1459 C GLY A 95 121.738 13.651 3.006 1.00 0.15 C ATOM 1460 O GLY A 95 122.547 14.295 2.337 1.00 0.16 O ATOM 0 H GLY A 95 119.210 13.153 4.562 1.00 0.15 H new ATOM 0 HA2 GLY A 95 120.133 14.994 3.521 1.00 0.16 H new ATOM 0 HA3 GLY A 95 121.470 15.015 4.654 1.00 0.16 H new ATOM 1464 N THR A 96 121.589 12.333 2.874 1.00 0.13 N ATOM 1465 CA THR A 96 122.365 11.551 1.926 1.00 0.13 C ATOM 1466 C THR A 96 121.529 11.299 0.682 1.00 0.11 C ATOM 1467 O THR A 96 120.331 11.029 0.781 1.00 0.11 O ATOM 1468 CB THR A 96 122.744 10.212 2.565 1.00 0.13 C ATOM 1469 OG1 THR A 96 123.451 10.450 3.774 1.00 0.14 O ATOM 1470 CG2 THR A 96 123.621 9.396 1.610 1.00 0.13 C ATOM 0 H THR A 96 120.927 11.783 3.422 1.00 0.13 H new ATOM 0 HA THR A 96 123.270 12.094 1.654 1.00 0.13 H new ATOM 0 HB THR A 96 121.835 9.649 2.775 1.00 0.13 H new ATOM 0 HG1 THR A 96 123.693 9.594 4.185 1.00 0.14 H new ATOM 0 HG21 THR A 96 123.883 8.447 2.078 1.00 0.13 H new ATOM 0 HG22 THR A 96 123.074 9.207 0.686 1.00 0.13 H new ATOM 0 HG23 THR A 96 124.531 9.953 1.386 1.00 0.13 H new ATOM 1478 N THR A 97 122.157 11.391 -0.484 1.00 0.11 N ATOM 1479 CA THR A 97 121.454 11.130 -1.734 1.00 0.11 C ATOM 1480 C THR A 97 121.862 9.771 -2.289 1.00 0.10 C ATOM 1481 O THR A 97 123.046 9.451 -2.390 1.00 0.11 O ATOM 1482 CB THR A 97 121.780 12.222 -2.755 1.00 0.12 C ATOM 1483 OG1 THR A 97 121.497 13.495 -2.191 1.00 0.14 O ATOM 1484 CG2 THR A 97 120.933 12.020 -4.012 1.00 0.12 C ATOM 0 H THR A 97 123.140 11.641 -0.590 1.00 0.11 H new ATOM 0 HA THR A 97 120.381 11.129 -1.540 1.00 0.11 H new ATOM 0 HB THR A 97 122.836 12.167 -3.020 1.00 0.12 H new ATOM 0 HG1 THR A 97 121.707 14.196 -2.843 1.00 0.14 H new ATOM 0 HG21 THR A 97 121.167 12.799 -4.738 1.00 0.12 H new ATOM 0 HG22 THR A 97 121.151 11.044 -4.445 1.00 0.12 H new ATOM 0 HG23 THR A 97 119.876 12.073 -3.751 1.00 0.12 H new ATOM 1492 N TYR A 98 120.859 8.982 -2.646 1.00 0.09 N ATOM 1493 CA TYR A 98 121.074 7.656 -3.207 1.00 0.09 C ATOM 1494 C TYR A 98 120.531 7.626 -4.633 1.00 0.08 C ATOM 1495 O TYR A 98 119.551 8.302 -4.934 1.00 0.08 O ATOM 1496 CB TYR A 98 120.337 6.618 -2.358 1.00 0.09 C ATOM 1497 CG TYR A 98 120.741 6.608 -0.899 1.00 0.09 C ATOM 1498 CD1 TYR A 98 121.852 5.864 -0.479 1.00 0.11 C ATOM 1499 CD2 TYR A 98 120.001 7.341 0.039 1.00 0.10 C ATOM 1500 CE1 TYR A 98 122.219 5.854 0.873 1.00 0.12 C ATOM 1501 CE2 TYR A 98 120.370 7.331 1.390 1.00 0.11 C ATOM 1502 CZ TYR A 98 121.479 6.588 1.809 1.00 0.12 C ATOM 1503 OH TYR A 98 121.844 6.576 3.143 1.00 0.14 O ATOM 0 H TYR A 98 119.877 9.242 -2.555 1.00 0.09 H new ATOM 0 HA TYR A 98 122.139 7.426 -3.213 1.00 0.09 H new ATOM 0 HB2 TYR A 98 119.265 6.805 -2.425 1.00 0.09 H new ATOM 0 HB3 TYR A 98 120.515 5.628 -2.779 1.00 0.09 H new ATOM 0 HD1 TYR A 98 122.426 5.298 -1.198 1.00 0.11 H new ATOM 0 HD2 TYR A 98 119.144 7.915 -0.281 1.00 0.10 H new ATOM 0 HE1 TYR A 98 123.075 5.279 1.195 1.00 0.12 H new ATOM 0 HE2 TYR A 98 119.798 7.898 2.109 1.00 0.11 H new ATOM 0 HH TYR A 98 121.416 7.326 3.606 1.00 0.14 H new ATOM 1513 N ALA A 99 121.158 6.846 -5.503 1.00 0.09 N ATOM 1514 CA ALA A 99 120.733 6.781 -6.898 1.00 0.10 C ATOM 1515 C ALA A 99 119.642 5.730 -7.083 1.00 0.10 C ATOM 1516 O ALA A 99 119.815 4.570 -6.704 1.00 0.12 O ATOM 1517 CB ALA A 99 121.935 6.441 -7.785 1.00 0.13 C ATOM 0 H ALA A 99 121.956 6.254 -5.272 1.00 0.09 H new ATOM 0 HA ALA A 99 120.329 7.752 -7.184 1.00 0.10 H new ATOM 0 HB1 ALA A 99 121.617 6.393 -8.826 1.00 0.13 H new ATOM 0 HB2 ALA A 99 122.698 7.211 -7.674 1.00 0.13 H new ATOM 0 HB3 ALA A 99 122.346 5.477 -7.486 1.00 0.13 H new ATOM 1523 N LEU A 100 118.519 6.141 -7.666 1.00 0.08 N ATOM 1524 CA LEU A 100 117.410 5.222 -7.896 1.00 0.10 C ATOM 1525 C LEU A 100 117.593 4.479 -9.212 1.00 0.14 C ATOM 1526 O LEU A 100 117.507 3.252 -9.259 1.00 0.18 O ATOM 1527 CB LEU A 100 116.081 5.980 -7.951 1.00 0.10 C ATOM 1528 CG LEU A 100 115.645 6.406 -6.550 1.00 0.11 C ATOM 1529 CD1 LEU A 100 114.549 7.465 -6.680 1.00 0.13 C ATOM 1530 CD2 LEU A 100 115.085 5.194 -5.803 1.00 0.16 C ATOM 0 H LEU A 100 118.354 7.096 -7.985 1.00 0.08 H new ATOM 0 HA LEU A 100 117.396 4.512 -7.069 1.00 0.10 H new ATOM 0 HB2 LEU A 100 116.183 6.858 -8.588 1.00 0.10 H new ATOM 0 HB3 LEU A 100 115.314 5.348 -8.400 1.00 0.10 H new ATOM 0 HG LEU A 100 116.496 6.810 -6.002 1.00 0.11 H new ATOM 0 HD11 LEU A 100 114.227 7.779 -5.687 1.00 0.13 H new ATOM 0 HD12 LEU A 100 114.937 8.325 -7.225 1.00 0.13 H new ATOM 0 HD13 LEU A 100 113.700 7.046 -7.221 1.00 0.13 H new ATOM 0 HD21 LEU A 100 114.773 5.495 -4.803 1.00 0.16 H new ATOM 0 HD22 LEU A 100 114.228 4.796 -6.346 1.00 0.16 H new ATOM 0 HD23 LEU A 100 115.855 4.426 -5.727 1.00 0.16 H new ATOM 1542 N ASN A 101 117.846 5.232 -10.281 1.00 0.17 N ATOM 1543 CA ASN A 101 117.915 4.638 -11.618 1.00 0.23 C ATOM 1544 C ASN A 101 119.357 4.477 -12.100 1.00 0.22 C ATOM 1545 O ASN A 101 120.294 5.039 -11.533 1.00 0.18 O ATOM 1546 CB ASN A 101 117.091 5.470 -12.612 1.00 0.28 C ATOM 1547 CG ASN A 101 117.743 6.818 -12.906 1.00 0.27 C ATOM 1548 OD1 ASN A 101 118.799 7.139 -12.363 1.00 0.22 O ATOM 1549 ND2 ASN A 101 117.172 7.633 -13.750 1.00 0.33 N ATOM 0 H ASN A 101 118.005 6.239 -10.252 1.00 0.17 H new ATOM 0 HA ASN A 101 117.488 3.637 -11.559 1.00 0.23 H new ATOM 0 HB2 ASN A 101 116.974 4.913 -13.542 1.00 0.28 H new ATOM 0 HB3 ASN A 101 116.091 5.631 -12.209 1.00 0.28 H new ATOM 0 HD21 ASN A 101 117.601 8.534 -13.958 1.00 0.33 H new ATOM 0 HD22 ASN A 101 116.296 7.369 -14.201 1.00 0.33 H new ATOM 1556 N ASP A 102 119.518 3.701 -13.168 1.00 0.28 N ATOM 1557 CA ASP A 102 120.844 3.326 -13.646 1.00 0.29 C ATOM 1558 C ASP A 102 121.729 4.541 -13.903 1.00 0.26 C ATOM 1559 O ASP A 102 122.912 4.526 -13.570 1.00 0.27 O ATOM 1560 CB ASP A 102 120.714 2.513 -14.936 1.00 0.36 C ATOM 1561 CG ASP A 102 122.072 1.947 -15.345 1.00 1.32 C ATOM 1562 OD1 ASP A 102 122.860 1.641 -14.464 1.00 1.89 O ATOM 1563 OD2 ASP A 102 122.301 1.820 -16.537 1.00 2.20 O ATOM 0 H ASP A 102 118.748 3.320 -13.718 1.00 0.28 H new ATOM 0 HA ASP A 102 121.316 2.729 -12.865 1.00 0.29 H new ATOM 0 HB2 ASP A 102 120.002 1.700 -14.791 1.00 0.36 H new ATOM 0 HB3 ASP A 102 120.320 3.144 -15.733 1.00 0.36 H new ATOM 1568 N ARG A 103 121.163 5.594 -14.486 1.00 0.29 N ATOM 1569 CA ARG A 103 121.963 6.755 -14.866 1.00 0.32 C ATOM 1570 C ARG A 103 122.569 7.439 -13.642 1.00 0.26 C ATOM 1571 O ARG A 103 123.748 7.795 -13.645 1.00 0.28 O ATOM 1572 CB ARG A 103 121.109 7.735 -15.673 1.00 0.43 C ATOM 1573 CG ARG A 103 120.758 7.085 -17.015 1.00 0.56 C ATOM 1574 CD ARG A 103 120.002 8.080 -17.897 1.00 0.81 C ATOM 1575 NE ARG A 103 118.785 8.530 -17.220 1.00 0.40 N ATOM 1576 CZ ARG A 103 117.693 7.766 -17.077 1.00 1.40 C ATOM 1577 NH1 ARG A 103 117.629 6.539 -17.535 1.00 1.66 N ATOM 1578 NH2 ARG A 103 116.663 8.271 -16.458 1.00 2.22 N ATOM 0 H ARG A 103 120.169 5.668 -14.703 1.00 0.29 H new ATOM 0 HA ARG A 103 122.790 6.413 -15.489 1.00 0.32 H new ATOM 0 HB2 ARG A 103 120.201 7.986 -15.125 1.00 0.43 H new ATOM 0 HB3 ARG A 103 121.652 8.666 -15.834 1.00 0.43 H new ATOM 0 HG2 ARG A 103 121.668 6.758 -17.519 1.00 0.56 H new ATOM 0 HG3 ARG A 103 120.148 6.197 -16.850 1.00 0.56 H new ATOM 0 HD2 ARG A 103 120.639 8.935 -18.122 1.00 0.81 H new ATOM 0 HD3 ARG A 103 119.747 7.613 -18.848 1.00 0.81 H new ATOM 0 HE ARG A 103 118.767 9.475 -16.837 1.00 0.40 H new ATOM 0 HH11 ARG A 103 118.429 6.133 -18.021 1.00 1.66 H new ATOM 0 HH12 ARG A 103 116.779 5.990 -17.406 1.00 1.66 H new ATOM 0 HH21 ARG A 103 116.702 9.224 -16.097 1.00 2.22 H new ATOM 0 HH22 ARG A 103 115.818 7.713 -16.334 1.00 2.22 H new ATOM 1592 N ALA A 104 121.780 7.588 -12.582 1.00 0.22 N ATOM 1593 CA ALA A 104 122.293 8.164 -11.341 1.00 0.19 C ATOM 1594 C ALA A 104 123.451 7.329 -10.789 1.00 0.20 C ATOM 1595 O ALA A 104 124.408 7.868 -10.225 1.00 0.22 O ATOM 1596 CB ALA A 104 121.170 8.246 -10.305 1.00 0.18 C ATOM 0 H ALA A 104 120.796 7.322 -12.555 1.00 0.22 H new ATOM 0 HA ALA A 104 122.665 9.166 -11.554 1.00 0.19 H new ATOM 0 HB1 ALA A 104 121.558 8.676 -9.382 1.00 0.18 H new ATOM 0 HB2 ALA A 104 120.366 8.874 -10.689 1.00 0.18 H new ATOM 0 HB3 ALA A 104 120.785 7.246 -10.106 1.00 0.18 H new ATOM 1602 N GLU A 105 123.352 6.008 -10.927 1.00 0.22 N ATOM 1603 CA GLU A 105 124.443 5.129 -10.517 1.00 0.28 C ATOM 1604 C GLU A 105 125.689 5.400 -11.357 1.00 0.34 C ATOM 1605 O GLU A 105 126.801 5.452 -10.836 1.00 0.40 O ATOM 1606 CB GLU A 105 124.024 3.666 -10.664 1.00 0.31 C ATOM 1607 CG GLU A 105 122.852 3.372 -9.720 1.00 0.99 C ATOM 1608 CD GLU A 105 122.444 1.895 -9.760 1.00 1.40 C ATOM 1609 OE1 GLU A 105 122.914 1.169 -10.624 1.00 1.76 O ATOM 1610 OE2 GLU A 105 121.657 1.508 -8.913 1.00 2.07 O ATOM 0 H GLU A 105 122.539 5.529 -11.314 1.00 0.22 H new ATOM 0 HA GLU A 105 124.675 5.329 -9.471 1.00 0.28 H new ATOM 0 HB2 GLU A 105 123.735 3.461 -11.695 1.00 0.31 H new ATOM 0 HB3 GLU A 105 124.864 3.011 -10.433 1.00 0.31 H new ATOM 0 HG2 GLU A 105 123.129 3.645 -8.702 1.00 0.99 H new ATOM 0 HG3 GLU A 105 121.999 3.992 -9.996 1.00 0.99 H new ATOM 1617 N LYS A 106 125.498 5.610 -12.655 1.00 0.35 N ATOM 1618 CA LYS A 106 126.611 5.954 -13.540 1.00 0.43 C ATOM 1619 C LYS A 106 127.307 7.239 -13.084 1.00 0.41 C ATOM 1620 O LYS A 106 128.521 7.382 -13.229 1.00 0.45 O ATOM 1621 CB LYS A 106 126.102 6.129 -14.973 1.00 0.51 C ATOM 1622 CG LYS A 106 127.290 6.321 -15.918 1.00 1.17 C ATOM 1623 CD LYS A 106 126.781 6.575 -17.338 1.00 1.44 C ATOM 1624 CE LYS A 106 127.966 6.607 -18.306 1.00 2.18 C ATOM 1625 NZ LYS A 106 128.789 7.821 -18.044 1.00 2.72 N ATOM 0 H LYS A 106 124.591 5.549 -13.118 1.00 0.35 H new ATOM 0 HA LYS A 106 127.335 5.140 -13.502 1.00 0.43 H new ATOM 0 HB2 LYS A 106 125.522 5.256 -15.273 1.00 0.51 H new ATOM 0 HB3 LYS A 106 125.435 6.989 -15.031 1.00 0.51 H new ATOM 0 HG2 LYS A 106 127.901 7.160 -15.584 1.00 1.17 H new ATOM 0 HG3 LYS A 106 127.927 5.437 -15.902 1.00 1.17 H new ATOM 0 HD2 LYS A 106 126.080 5.793 -17.630 1.00 1.44 H new ATOM 0 HD3 LYS A 106 126.239 7.520 -17.378 1.00 1.44 H new ATOM 0 HE2 LYS A 106 128.573 5.710 -18.184 1.00 2.18 H new ATOM 0 HE3 LYS A 106 127.608 6.612 -19.336 1.00 2.18 H new ATOM 0 HZ1 LYS A 106 129.469 7.954 -18.820 1.00 2.72 H new ATOM 0 HZ2 LYS A 106 128.169 8.654 -17.981 1.00 2.72 H new ATOM 0 HZ3 LYS A 106 129.305 7.704 -17.148 1.00 2.72 H new ATOM 1639 N ALA A 107 126.531 8.169 -12.530 1.00 0.36 N ATOM 1640 CA ALA A 107 127.074 9.425 -12.008 1.00 0.37 C ATOM 1641 C ALA A 107 127.878 9.241 -10.710 1.00 0.39 C ATOM 1642 O ALA A 107 128.385 10.215 -10.157 1.00 0.46 O ATOM 1643 CB ALA A 107 125.931 10.408 -11.752 1.00 0.34 C ATOM 0 H ALA A 107 125.520 8.077 -12.430 1.00 0.36 H new ATOM 0 HA ALA A 107 127.760 9.810 -12.762 1.00 0.37 H new ATOM 0 HB1 ALA A 107 126.335 11.343 -11.363 1.00 0.34 H new ATOM 0 HB2 ALA A 107 125.402 10.602 -12.685 1.00 0.34 H new ATOM 0 HB3 ALA A 107 125.240 9.981 -11.025 1.00 0.34 H new ATOM 1649 N GLY A 108 127.998 8.006 -10.223 1.00 0.39 N ATOM 1650 CA GLY A 108 128.793 7.727 -9.034 1.00 0.44 C ATOM 1651 C GLY A 108 128.071 8.073 -7.732 1.00 0.39 C ATOM 1652 O GLY A 108 128.723 8.309 -6.714 1.00 0.46 O ATOM 0 H GLY A 108 127.554 7.185 -10.635 1.00 0.39 H new ATOM 0 HA2 GLY A 108 129.061 6.670 -9.024 1.00 0.44 H new ATOM 0 HA3 GLY A 108 129.724 8.291 -9.087 1.00 0.44 H new ATOM 1656 N HIS A 109 126.737 8.109 -7.757 1.00 0.28 N ATOM 1657 CA HIS A 109 125.981 8.255 -6.519 1.00 0.26 C ATOM 1658 C HIS A 109 125.792 6.873 -5.886 1.00 0.25 C ATOM 1659 O HIS A 109 125.588 5.903 -6.620 1.00 0.44 O ATOM 1660 CB HIS A 109 124.618 8.887 -6.805 1.00 0.23 C ATOM 1661 CG HIS A 109 124.683 10.373 -7.028 1.00 0.29 C ATOM 1662 ND1 HIS A 109 125.276 11.233 -6.118 1.00 0.44 N ATOM 1663 CD2 HIS A 109 124.233 11.167 -8.055 1.00 0.44 C ATOM 1664 CE1 HIS A 109 125.169 12.480 -6.609 1.00 0.47 C ATOM 1665 NE2 HIS A 109 124.542 12.498 -7.787 1.00 0.45 N ATOM 0 H HIS A 109 126.171 8.040 -8.603 1.00 0.28 H new ATOM 0 HA HIS A 109 126.527 8.903 -5.834 1.00 0.26 H new ATOM 0 HB2 HIS A 109 124.184 8.414 -7.686 1.00 0.23 H new ATOM 0 HB3 HIS A 109 123.948 8.681 -5.970 1.00 0.23 H new ATOM 0 HD2 HIS A 109 123.718 10.813 -8.936 1.00 0.44 H new ATOM 0 HE1 HIS A 109 125.545 13.361 -6.110 1.00 0.47 H new ATOM 0 HE2 HIS A 109 124.334 13.311 -8.366 1.00 0.45 H new ATOM 1673 N PRO A 110 125.844 6.741 -4.576 1.00 0.21 N ATOM 1674 CA PRO A 110 125.726 5.399 -3.928 1.00 0.28 C ATOM 1675 C PRO A 110 124.294 4.865 -4.013 1.00 0.20 C ATOM 1676 O PRO A 110 123.358 5.663 -4.033 1.00 0.12 O ATOM 1677 CB PRO A 110 126.132 5.647 -2.475 1.00 0.40 C ATOM 1678 CG PRO A 110 125.828 7.083 -2.222 1.00 0.73 C ATOM 1679 CD PRO A 110 125.982 7.805 -3.560 1.00 0.41 C ATOM 0 HA PRO A 110 126.349 4.649 -4.415 1.00 0.28 H new ATOM 0 HB2 PRO A 110 125.576 5.001 -1.795 1.00 0.40 H new ATOM 0 HB3 PRO A 110 127.190 5.436 -2.321 1.00 0.40 H new ATOM 0 HG2 PRO A 110 124.817 7.202 -1.832 1.00 0.73 H new ATOM 0 HG3 PRO A 110 126.508 7.498 -1.478 1.00 0.73 H new ATOM 0 HD2 PRO A 110 125.220 8.574 -3.685 1.00 0.41 H new ATOM 0 HD3 PRO A 110 126.950 8.301 -3.634 1.00 0.41 H new ATOM 1687 N PRO A 111 124.085 3.566 -4.089 1.00 0.28 N ATOM 1688 CA PRO A 111 122.702 3.003 -4.159 1.00 0.28 C ATOM 1689 C PRO A 111 122.015 2.980 -2.793 1.00 0.23 C ATOM 1690 O PRO A 111 122.676 3.021 -1.756 1.00 0.24 O ATOM 1691 CB PRO A 111 122.904 1.590 -4.707 1.00 0.39 C ATOM 1692 CG PRO A 111 124.289 1.199 -4.317 1.00 0.45 C ATOM 1693 CD PRO A 111 125.094 2.487 -4.134 1.00 0.42 C ATOM 0 HA PRO A 111 122.047 3.609 -4.785 1.00 0.28 H new ATOM 0 HB2 PRO A 111 122.170 0.900 -4.290 1.00 0.39 H new ATOM 0 HB3 PRO A 111 122.782 1.569 -5.790 1.00 0.39 H new ATOM 0 HG2 PRO A 111 124.278 0.619 -3.394 1.00 0.45 H new ATOM 0 HG3 PRO A 111 124.741 0.570 -5.084 1.00 0.45 H new ATOM 0 HD2 PRO A 111 125.682 2.458 -3.217 1.00 0.42 H new ATOM 0 HD3 PRO A 111 125.794 2.635 -4.956 1.00 0.42 H new ATOM 1701 N ILE A 112 120.685 2.918 -2.804 1.00 0.20 N ATOM 1702 CA ILE A 112 119.915 2.894 -1.559 1.00 0.16 C ATOM 1703 C ILE A 112 120.252 1.672 -0.686 1.00 0.18 C ATOM 1704 O ILE A 112 119.890 1.660 0.489 1.00 0.17 O ATOM 1705 CB ILE A 112 118.406 2.943 -1.876 1.00 0.14 C ATOM 1706 CG1 ILE A 112 118.103 4.248 -2.621 1.00 0.15 C ATOM 1707 CG2 ILE A 112 117.573 2.908 -0.585 1.00 0.16 C ATOM 1708 CD1 ILE A 112 116.660 4.253 -3.137 1.00 0.15 C ATOM 0 H ILE A 112 120.121 2.884 -3.653 1.00 0.20 H new ATOM 0 HA ILE A 112 120.191 3.776 -0.981 1.00 0.16 H new ATOM 0 HB ILE A 112 118.147 2.077 -2.484 1.00 0.14 H new ATOM 0 HG12 ILE A 112 118.260 5.097 -1.956 1.00 0.15 H new ATOM 0 HG13 ILE A 112 118.794 4.365 -3.456 1.00 0.15 H new ATOM 0 HG21 ILE A 112 116.513 2.944 -0.835 1.00 0.16 H new ATOM 0 HG22 ILE A 112 117.786 1.989 -0.039 1.00 0.16 H new ATOM 0 HG23 ILE A 112 117.828 3.767 0.036 1.00 0.16 H new ATOM 0 HD11 ILE A 112 116.465 5.188 -3.663 1.00 0.15 H new ATOM 0 HD12 ILE A 112 116.515 3.416 -3.819 1.00 0.15 H new ATOM 0 HD13 ILE A 112 115.973 4.159 -2.296 1.00 0.15 H new ATOM 1720 N THR A 113 120.976 0.683 -1.219 1.00 0.21 N ATOM 1721 CA THR A 113 121.202 -0.574 -0.504 1.00 0.24 C ATOM 1722 C THR A 113 121.558 -0.435 0.989 1.00 0.24 C ATOM 1723 O THR A 113 121.026 -1.224 1.773 1.00 0.24 O ATOM 1724 CB THR A 113 122.208 -1.470 -1.253 1.00 0.29 C ATOM 1725 OG1 THR A 113 122.012 -2.816 -0.845 1.00 0.40 O ATOM 1726 CG2 THR A 113 123.671 -1.087 -0.991 1.00 0.33 C ATOM 0 H THR A 113 121.413 0.729 -2.139 1.00 0.21 H new ATOM 0 HA THR A 113 120.229 -1.065 -0.496 1.00 0.24 H new ATOM 0 HB THR A 113 122.024 -1.338 -2.319 1.00 0.29 H new ATOM 0 HG1 THR A 113 122.646 -3.396 -1.316 1.00 0.40 H new ATOM 0 HG21 THR A 113 124.327 -1.756 -1.547 1.00 0.33 H new ATOM 0 HG22 THR A 113 123.842 -0.060 -1.314 1.00 0.33 H new ATOM 0 HG23 THR A 113 123.884 -1.173 0.074 1.00 0.33 H new ATOM 1734 N PRO A 114 122.364 0.517 1.440 1.00 0.24 N ATOM 1735 CA PRO A 114 122.774 0.555 2.884 1.00 0.26 C ATOM 1736 C PRO A 114 121.577 0.665 3.826 1.00 0.23 C ATOM 1737 O PRO A 114 121.609 0.149 4.943 1.00 0.24 O ATOM 1738 CB PRO A 114 123.689 1.778 3.008 1.00 0.28 C ATOM 1739 CG PRO A 114 124.113 2.092 1.615 1.00 0.27 C ATOM 1740 CD PRO A 114 122.945 1.674 0.729 1.00 0.24 C ATOM 0 HA PRO A 114 123.276 -0.368 3.172 1.00 0.26 H new ATOM 0 HB2 PRO A 114 123.163 2.619 3.458 1.00 0.28 H new ATOM 0 HB3 PRO A 114 124.549 1.564 3.642 1.00 0.28 H new ATOM 0 HG2 PRO A 114 124.331 3.154 1.501 1.00 0.27 H new ATOM 0 HG3 PRO A 114 125.021 1.550 1.349 1.00 0.27 H new ATOM 0 HD2 PRO A 114 122.220 2.480 0.616 1.00 0.24 H new ATOM 0 HD3 PRO A 114 123.279 1.402 -0.272 1.00 0.24 H new ATOM 1748 N ILE A 115 120.522 1.338 3.374 1.00 0.21 N ATOM 1749 CA ILE A 115 119.294 1.455 4.167 1.00 0.17 C ATOM 1750 C ILE A 115 118.208 0.455 3.743 1.00 0.15 C ATOM 1751 O ILE A 115 117.119 0.466 4.310 1.00 0.14 O ATOM 1752 CB ILE A 115 118.721 2.877 4.085 1.00 0.16 C ATOM 1753 CG1 ILE A 115 118.570 3.315 2.621 1.00 0.16 C ATOM 1754 CG2 ILE A 115 119.641 3.852 4.824 1.00 0.18 C ATOM 1755 CD1 ILE A 115 117.764 4.617 2.526 1.00 0.15 C ATOM 0 H ILE A 115 120.489 1.809 2.470 1.00 0.21 H new ATOM 0 HA ILE A 115 119.580 1.225 5.193 1.00 0.17 H new ATOM 0 HB ILE A 115 117.737 2.882 4.554 1.00 0.16 H new ATOM 0 HG12 ILE A 115 119.554 3.457 2.175 1.00 0.16 H new ATOM 0 HG13 ILE A 115 118.072 2.531 2.051 1.00 0.16 H new ATOM 0 HG21 ILE A 115 119.229 4.859 4.762 1.00 0.18 H new ATOM 0 HG22 ILE A 115 119.720 3.556 5.870 1.00 0.18 H new ATOM 0 HG23 ILE A 115 120.630 3.836 4.367 1.00 0.18 H new ATOM 0 HD11 ILE A 115 117.668 4.910 1.481 1.00 0.15 H new ATOM 0 HD12 ILE A 115 116.773 4.463 2.952 1.00 0.15 H new ATOM 0 HD13 ILE A 115 118.278 5.404 3.078 1.00 0.15 H new ATOM 1767 N ARG A 116 118.486 -0.402 2.763 1.00 0.17 N ATOM 1768 CA ARG A 116 117.492 -1.355 2.278 1.00 0.17 C ATOM 1769 C ARG A 116 117.396 -2.554 3.218 1.00 0.18 C ATOM 1770 O ARG A 116 118.414 -3.077 3.672 1.00 0.26 O ATOM 1771 CB ARG A 116 117.896 -1.819 0.877 1.00 0.25 C ATOM 1772 CG ARG A 116 116.799 -2.695 0.273 1.00 1.02 C ATOM 1773 CD ARG A 116 117.157 -3.016 -1.180 1.00 1.24 C ATOM 1774 NE ARG A 116 118.331 -3.892 -1.235 1.00 1.81 N ATOM 1775 CZ ARG A 116 118.718 -4.541 -2.344 1.00 2.41 C ATOM 1776 NH1 ARG A 116 118.058 -4.451 -3.474 1.00 2.60 N ATOM 1777 NH2 ARG A 116 119.787 -5.287 -2.296 1.00 3.32 N ATOM 0 H ARG A 116 119.389 -0.456 2.291 1.00 0.17 H new ATOM 0 HA ARG A 116 116.515 -0.872 2.242 1.00 0.17 H new ATOM 0 HB2 ARG A 116 118.074 -0.955 0.237 1.00 0.25 H new ATOM 0 HB3 ARG A 116 118.831 -2.377 0.927 1.00 0.25 H new ATOM 0 HG2 ARG A 116 116.695 -3.616 0.847 1.00 1.02 H new ATOM 0 HG3 ARG A 116 115.839 -2.181 0.319 1.00 1.02 H new ATOM 0 HD2 ARG A 116 116.312 -3.498 -1.671 1.00 1.24 H new ATOM 0 HD3 ARG A 116 117.358 -2.093 -1.724 1.00 1.24 H new ATOM 0 HE ARG A 116 118.883 -4.015 -0.386 1.00 1.81 H new ATOM 0 HH11 ARG A 116 117.220 -3.873 -3.530 1.00 2.60 H new ATOM 0 HH12 ARG A 116 118.383 -4.959 -4.296 1.00 2.60 H new ATOM 0 HH21 ARG A 116 120.313 -5.369 -1.426 1.00 3.32 H new ATOM 0 HH22 ARG A 116 120.097 -5.788 -3.129 1.00 3.32 H new ATOM 1791 N ALA A 117 116.173 -2.988 3.507 1.00 0.16 N ATOM 1792 CA ALA A 117 115.968 -4.102 4.426 1.00 0.19 C ATOM 1793 C ALA A 117 116.252 -5.439 3.750 1.00 0.24 C ATOM 1794 O ALA A 117 115.839 -5.679 2.616 1.00 0.26 O ATOM 1795 CB ALA A 117 114.524 -4.091 4.928 1.00 0.24 C ATOM 0 H ALA A 117 115.316 -2.590 3.122 1.00 0.16 H new ATOM 0 HA ALA A 117 116.660 -3.983 5.260 1.00 0.19 H new ATOM 0 HB1 ALA A 117 114.371 -4.924 5.615 1.00 0.24 H new ATOM 0 HB2 ALA A 117 114.326 -3.153 5.446 1.00 0.24 H new ATOM 0 HB3 ALA A 117 113.844 -4.189 4.082 1.00 0.24 H new ATOM 1883 N ILE A 125 114.782 -6.891 -0.125 1.00 0.32 N ATOM 1884 CA ILE A 125 113.442 -6.486 -0.529 1.00 0.27 C ATOM 1885 C ILE A 125 113.526 -5.480 -1.678 1.00 0.20 C ATOM 1886 O ILE A 125 114.234 -4.477 -1.593 1.00 0.18 O ATOM 1887 CB ILE A 125 112.719 -5.899 0.693 1.00 0.27 C ATOM 1888 CG1 ILE A 125 112.564 -6.994 1.760 1.00 0.37 C ATOM 1889 CG2 ILE A 125 111.331 -5.374 0.310 1.00 0.29 C ATOM 1890 CD1 ILE A 125 112.472 -6.366 3.155 1.00 0.39 C ATOM 0 HA ILE A 125 112.875 -7.344 -0.891 1.00 0.27 H new ATOM 0 HB ILE A 125 113.310 -5.069 1.080 1.00 0.27 H new ATOM 0 HG12 ILE A 125 111.669 -7.583 1.559 1.00 0.37 H new ATOM 0 HG13 ILE A 125 113.412 -7.677 1.716 1.00 0.37 H new ATOM 0 HG21 ILE A 125 110.841 -4.964 1.193 1.00 0.29 H new ATOM 0 HG22 ILE A 125 111.433 -4.593 -0.444 1.00 0.29 H new ATOM 0 HG23 ILE A 125 110.731 -6.191 -0.092 1.00 0.29 H new ATOM 0 HD11 ILE A 125 112.362 -7.153 3.902 1.00 0.39 H new ATOM 0 HD12 ILE A 125 113.379 -5.797 3.358 1.00 0.39 H new ATOM 0 HD13 ILE A 125 111.609 -5.702 3.199 1.00 0.39 H new ATOM 1902 N SER A 126 112.784 -5.758 -2.747 1.00 0.21 N ATOM 1903 CA SER A 126 112.858 -4.955 -3.963 1.00 0.20 C ATOM 1904 C SER A 126 112.443 -3.509 -3.721 1.00 0.16 C ATOM 1905 O SER A 126 111.481 -3.232 -3.004 1.00 0.17 O ATOM 1906 CB SER A 126 111.952 -5.564 -5.035 1.00 0.25 C ATOM 1907 OG SER A 126 112.361 -6.902 -5.286 1.00 0.29 O ATOM 0 H SER A 126 112.124 -6.534 -2.795 1.00 0.21 H new ATOM 0 HA SER A 126 113.897 -4.956 -4.294 1.00 0.20 H new ATOM 0 HB2 SER A 126 110.913 -5.544 -4.705 1.00 0.25 H new ATOM 0 HB3 SER A 126 112.006 -4.976 -5.951 1.00 0.25 H new ATOM 0 HG SER A 126 111.783 -7.298 -5.971 1.00 0.29 H new ATOM 1913 N LEU A 127 113.189 -2.597 -4.334 1.00 0.16 N ATOM 1914 CA LEU A 127 112.813 -1.182 -4.352 1.00 0.14 C ATOM 1915 C LEU A 127 112.057 -0.800 -5.637 1.00 0.15 C ATOM 1916 O LEU A 127 111.860 0.384 -5.909 1.00 0.15 O ATOM 1917 CB LEU A 127 114.067 -0.305 -4.243 1.00 0.16 C ATOM 1918 CG LEU A 127 114.879 -0.678 -2.998 1.00 0.19 C ATOM 1919 CD1 LEU A 127 116.152 0.170 -2.953 1.00 0.23 C ATOM 1920 CD2 LEU A 127 114.053 -0.405 -1.739 1.00 0.18 C ATOM 0 H LEU A 127 114.057 -2.808 -4.826 1.00 0.16 H new ATOM 0 HA LEU A 127 112.153 -1.016 -3.501 1.00 0.14 H new ATOM 0 HB2 LEU A 127 114.682 -0.427 -5.135 1.00 0.16 H new ATOM 0 HB3 LEU A 127 113.780 0.745 -4.195 1.00 0.16 H new ATOM 0 HG LEU A 127 115.137 -1.736 -3.041 1.00 0.19 H new ATOM 0 HD11 LEU A 127 116.733 -0.092 -2.069 1.00 0.23 H new ATOM 0 HD12 LEU A 127 116.747 -0.019 -3.847 1.00 0.23 H new ATOM 0 HD13 LEU A 127 115.885 1.226 -2.912 1.00 0.23 H new ATOM 0 HD21 LEU A 127 114.635 -0.672 -0.857 1.00 0.18 H new ATOM 0 HD22 LEU A 127 113.794 0.653 -1.696 1.00 0.18 H new ATOM 0 HD23 LEU A 127 113.141 -1.001 -1.766 1.00 0.18 H new ATOM 1932 N GLY A 128 111.634 -1.786 -6.432 1.00 0.17 N ATOM 1933 CA GLY A 128 111.009 -1.514 -7.725 1.00 0.19 C ATOM 1934 C GLY A 128 109.903 -0.465 -7.634 1.00 0.19 C ATOM 1935 O GLY A 128 109.820 0.424 -8.479 1.00 0.19 O ATOM 0 H GLY A 128 111.713 -2.777 -6.202 1.00 0.17 H new ATOM 0 HA2 GLY A 128 111.770 -1.174 -8.428 1.00 0.19 H new ATOM 0 HA3 GLY A 128 110.595 -2.439 -8.126 1.00 0.19 H new ATOM 1939 N ALA A 129 109.070 -0.552 -6.600 1.00 0.19 N ATOM 1940 CA ALA A 129 107.944 0.369 -6.469 1.00 0.20 C ATOM 1941 C ALA A 129 108.432 1.813 -6.389 1.00 0.18 C ATOM 1942 O ALA A 129 107.949 2.687 -7.111 1.00 0.18 O ATOM 1943 CB ALA A 129 107.134 0.031 -5.217 1.00 0.20 C ATOM 0 H ALA A 129 109.151 -1.240 -5.851 1.00 0.19 H new ATOM 0 HA ALA A 129 107.312 0.263 -7.350 1.00 0.20 H new ATOM 0 HB1 ALA A 129 106.297 0.723 -5.128 1.00 0.20 H new ATOM 0 HB2 ALA A 129 106.756 -0.989 -5.293 1.00 0.20 H new ATOM 0 HB3 ALA A 129 107.771 0.117 -4.337 1.00 0.20 H new ATOM 1949 N LEU A 130 109.416 2.055 -5.530 1.00 0.17 N ATOM 1950 CA LEU A 130 109.942 3.402 -5.353 1.00 0.16 C ATOM 1951 C LEU A 130 110.493 3.937 -6.671 1.00 0.15 C ATOM 1952 O LEU A 130 110.259 5.092 -7.033 1.00 0.15 O ATOM 1953 CB LEU A 130 111.046 3.387 -4.295 1.00 0.16 C ATOM 1954 CG LEU A 130 111.513 4.815 -4.013 1.00 0.15 C ATOM 1955 CD1 LEU A 130 110.404 5.581 -3.287 1.00 0.15 C ATOM 1956 CD2 LEU A 130 112.762 4.773 -3.130 1.00 0.14 C ATOM 0 H LEU A 130 109.861 1.343 -4.951 1.00 0.17 H new ATOM 0 HA LEU A 130 109.134 4.055 -5.024 1.00 0.16 H new ATOM 0 HB2 LEU A 130 110.677 2.928 -3.378 1.00 0.16 H new ATOM 0 HB3 LEU A 130 111.884 2.782 -4.640 1.00 0.16 H new ATOM 0 HG LEU A 130 111.745 5.315 -4.953 1.00 0.15 H new ATOM 0 HD11 LEU A 130 110.737 6.599 -3.086 1.00 0.15 H new ATOM 0 HD12 LEU A 130 109.511 5.608 -3.912 1.00 0.15 H new ATOM 0 HD13 LEU A 130 110.173 5.082 -2.346 1.00 0.15 H new ATOM 0 HD21 LEU A 130 113.098 5.790 -2.927 1.00 0.14 H new ATOM 0 HD22 LEU A 130 112.526 4.274 -2.190 1.00 0.14 H new ATOM 0 HD23 LEU A 130 113.552 4.225 -3.643 1.00 0.14 H new ATOM 1968 N LEU A 131 111.198 3.083 -7.403 1.00 0.16 N ATOM 1969 CA LEU A 131 111.787 3.491 -8.672 1.00 0.16 C ATOM 1970 C LEU A 131 110.703 3.951 -9.639 1.00 0.16 C ATOM 1971 O LEU A 131 110.841 4.985 -10.286 1.00 0.16 O ATOM 1972 CB LEU A 131 112.569 2.322 -9.283 1.00 0.17 C ATOM 1973 CG LEU A 131 113.271 2.768 -10.569 1.00 0.17 C ATOM 1974 CD1 LEU A 131 114.413 3.725 -10.225 1.00 0.19 C ATOM 1975 CD2 LEU A 131 113.838 1.545 -11.292 1.00 0.19 C ATOM 0 H LEU A 131 111.375 2.113 -7.143 1.00 0.16 H new ATOM 0 HA LEU A 131 112.467 4.323 -8.490 1.00 0.16 H new ATOM 0 HB2 LEU A 131 113.305 1.954 -8.568 1.00 0.17 H new ATOM 0 HB3 LEU A 131 111.892 1.495 -9.498 1.00 0.17 H new ATOM 0 HG LEU A 131 112.553 3.274 -11.214 1.00 0.17 H new ATOM 0 HD11 LEU A 131 114.911 4.041 -11.141 1.00 0.19 H new ATOM 0 HD12 LEU A 131 114.013 4.598 -9.710 1.00 0.19 H new ATOM 0 HD13 LEU A 131 115.130 3.219 -9.578 1.00 0.19 H new ATOM 0 HD21 LEU A 131 114.338 1.863 -12.207 1.00 0.19 H new ATOM 0 HD22 LEU A 131 114.554 1.039 -10.644 1.00 0.19 H new ATOM 0 HD23 LEU A 131 113.027 0.861 -11.540 1.00 0.19 H new ATOM 1987 N SER A 132 109.611 3.199 -9.707 1.00 0.18 N ATOM 1988 CA SER A 132 108.543 3.513 -10.647 1.00 0.19 C ATOM 1989 C SER A 132 107.995 4.911 -10.387 1.00 0.18 C ATOM 1990 O SER A 132 107.796 5.692 -11.319 1.00 0.18 O ATOM 1991 CB SER A 132 107.417 2.487 -10.523 1.00 0.21 C ATOM 1992 OG SER A 132 107.955 1.181 -10.684 1.00 1.18 O ATOM 0 H SER A 132 109.443 2.376 -9.129 1.00 0.18 H new ATOM 0 HA SER A 132 108.952 3.479 -11.657 1.00 0.19 H new ATOM 0 HB2 SER A 132 106.933 2.576 -9.551 1.00 0.21 H new ATOM 0 HB3 SER A 132 106.653 2.674 -11.278 1.00 0.21 H new ATOM 0 HG SER A 132 108.429 0.920 -9.867 1.00 1.18 H new ATOM 1998 N THR A 133 107.788 5.236 -9.116 1.00 0.17 N ATOM 1999 CA THR A 133 107.226 6.536 -8.764 1.00 0.17 C ATOM 2000 C THR A 133 108.137 7.662 -9.243 1.00 0.16 C ATOM 2001 O THR A 133 107.684 8.615 -9.882 1.00 0.15 O ATOM 2002 CB THR A 133 107.039 6.631 -7.248 1.00 0.18 C ATOM 2003 OG1 THR A 133 106.266 5.527 -6.798 1.00 0.19 O ATOM 2004 CG2 THR A 133 106.319 7.934 -6.898 1.00 0.18 C ATOM 0 H THR A 133 107.997 4.629 -8.323 1.00 0.17 H new ATOM 0 HA THR A 133 106.258 6.638 -9.254 1.00 0.17 H new ATOM 0 HB THR A 133 108.014 6.617 -6.762 1.00 0.18 H new ATOM 0 HG1 THR A 133 106.147 5.585 -5.827 1.00 0.19 H new ATOM 0 HG21 THR A 133 106.188 7.998 -5.818 1.00 0.18 H new ATOM 0 HG22 THR A 133 106.912 8.781 -7.242 1.00 0.18 H new ATOM 0 HG23 THR A 133 105.343 7.953 -7.384 1.00 0.18 H new ATOM 2012 N THR A 134 109.429 7.532 -8.964 1.00 0.16 N ATOM 2013 CA THR A 134 110.377 8.578 -9.333 1.00 0.15 C ATOM 2014 C THR A 134 110.431 8.755 -10.849 1.00 0.16 C ATOM 2015 O THR A 134 110.490 9.879 -11.344 1.00 0.15 O ATOM 2016 CB THR A 134 111.769 8.253 -8.789 1.00 0.17 C ATOM 2017 OG1 THR A 134 111.669 7.977 -7.400 1.00 0.16 O ATOM 2018 CG2 THR A 134 112.694 9.453 -9.006 1.00 0.18 C ATOM 0 H THR A 134 109.840 6.727 -8.491 1.00 0.16 H new ATOM 0 HA THR A 134 110.037 9.514 -8.891 1.00 0.15 H new ATOM 0 HB THR A 134 112.176 7.386 -9.309 1.00 0.17 H new ATOM 0 HG1 THR A 134 110.837 8.358 -7.050 1.00 0.16 H new ATOM 0 HG21 THR A 134 113.686 9.222 -8.619 1.00 0.18 H new ATOM 0 HG22 THR A 134 112.762 9.672 -10.072 1.00 0.18 H new ATOM 0 HG23 THR A 134 112.293 10.321 -8.483 1.00 0.18 H new ATOM 2026 N LEU A 135 110.392 7.648 -11.586 1.00 0.17 N ATOM 2027 CA LEU A 135 110.437 7.714 -13.043 1.00 0.18 C ATOM 2028 C LEU A 135 109.248 8.499 -13.588 1.00 0.17 C ATOM 2029 O LEU A 135 109.390 9.269 -14.538 1.00 0.18 O ATOM 2030 CB LEU A 135 110.437 6.305 -13.640 1.00 0.20 C ATOM 2031 CG LEU A 135 111.737 5.585 -13.276 1.00 0.20 C ATOM 2032 CD1 LEU A 135 111.631 4.112 -13.673 1.00 0.22 C ATOM 2033 CD2 LEU A 135 112.905 6.227 -14.029 1.00 0.21 C ATOM 0 H LEU A 135 110.330 6.705 -11.203 1.00 0.17 H new ATOM 0 HA LEU A 135 111.356 8.226 -13.328 1.00 0.18 H new ATOM 0 HB2 LEU A 135 109.582 5.742 -13.265 1.00 0.20 H new ATOM 0 HB3 LEU A 135 110.333 6.360 -14.724 1.00 0.20 H new ATOM 0 HG LEU A 135 111.906 5.665 -12.202 1.00 0.20 H new ATOM 0 HD11 LEU A 135 112.557 3.598 -13.414 1.00 0.22 H new ATOM 0 HD12 LEU A 135 110.799 3.651 -13.141 1.00 0.22 H new ATOM 0 HD13 LEU A 135 111.462 4.036 -14.747 1.00 0.22 H new ATOM 0 HD21 LEU A 135 113.831 5.714 -13.770 1.00 0.21 H new ATOM 0 HD22 LEU A 135 112.734 6.147 -15.102 1.00 0.21 H new ATOM 0 HD23 LEU A 135 112.983 7.278 -13.752 1.00 0.21 H new ATOM 2045 N ASN A 136 108.077 8.300 -12.988 1.00 0.17 N ATOM 2046 CA ASN A 136 106.885 9.021 -13.420 1.00 0.17 C ATOM 2047 C ASN A 136 107.107 10.526 -13.303 1.00 0.15 C ATOM 2048 O ASN A 136 106.731 11.290 -14.191 1.00 0.16 O ATOM 2049 CB ASN A 136 105.685 8.610 -12.563 1.00 0.18 C ATOM 2050 CG ASN A 136 105.366 7.131 -12.772 1.00 1.17 C ATOM 2051 OD1 ASN A 136 105.737 6.548 -13.792 1.00 1.85 O ATOM 2052 ND2 ASN A 136 104.691 6.487 -11.860 1.00 1.90 N ATOM 0 H ASN A 136 107.929 7.655 -12.212 1.00 0.17 H new ATOM 0 HA ASN A 136 106.685 8.771 -14.462 1.00 0.17 H new ATOM 0 HB2 ASN A 136 105.900 8.798 -11.511 1.00 0.18 H new ATOM 0 HB3 ASN A 136 104.818 9.217 -12.825 1.00 0.18 H new ATOM 0 HD21 ASN A 136 104.470 5.500 -11.991 1.00 1.90 H new ATOM 0 HD22 ASN A 136 104.384 6.971 -11.016 1.00 1.90 H new ATOM 2059 N LEU A 137 107.721 10.940 -12.199 1.00 0.14 N ATOM 2060 CA LEU A 137 108.040 12.352 -11.997 1.00 0.14 C ATOM 2061 C LEU A 137 109.021 12.849 -13.056 1.00 0.16 C ATOM 2062 O LEU A 137 108.899 13.968 -13.554 1.00 0.18 O ATOM 2063 CB LEU A 137 108.643 12.558 -10.606 1.00 0.14 C ATOM 2064 CG LEU A 137 107.677 12.050 -9.531 1.00 0.15 C ATOM 2065 CD1 LEU A 137 108.334 12.187 -8.156 1.00 0.16 C ATOM 2066 CD2 LEU A 137 106.388 12.875 -9.557 1.00 0.20 C ATOM 0 H LEU A 137 108.006 10.326 -11.436 1.00 0.14 H new ATOM 0 HA LEU A 137 107.116 12.923 -12.084 1.00 0.14 H new ATOM 0 HB2 LEU A 137 109.593 12.029 -10.531 1.00 0.14 H new ATOM 0 HB3 LEU A 137 108.854 13.615 -10.446 1.00 0.14 H new ATOM 0 HG LEU A 137 107.440 11.004 -9.727 1.00 0.15 H new ATOM 0 HD11 LEU A 137 107.650 11.826 -7.388 1.00 0.16 H new ATOM 0 HD12 LEU A 137 109.251 11.598 -8.130 1.00 0.16 H new ATOM 0 HD13 LEU A 137 108.570 13.234 -7.968 1.00 0.16 H new ATOM 0 HD21 LEU A 137 105.706 12.508 -8.790 1.00 0.20 H new ATOM 0 HD22 LEU A 137 106.622 13.922 -9.364 1.00 0.20 H new ATOM 0 HD23 LEU A 137 105.917 12.783 -10.536 1.00 0.20 H new ATOM 2078 N CYS A 138 109.993 12.008 -13.398 1.00 0.16 N ATOM 2079 CA CYS A 138 110.982 12.358 -14.416 1.00 0.20 C ATOM 2080 C CYS A 138 110.335 12.644 -15.776 1.00 0.23 C ATOM 2081 O CYS A 138 110.902 13.377 -16.587 1.00 0.26 O ATOM 2082 CB CYS A 138 111.985 11.209 -14.568 1.00 0.22 C ATOM 2083 SG CYS A 138 113.294 11.314 -13.316 1.00 0.30 S ATOM 0 H CYS A 138 110.118 11.083 -12.988 1.00 0.16 H new ATOM 0 HA CYS A 138 111.485 13.267 -14.087 1.00 0.20 H new ATOM 0 HB2 CYS A 138 111.466 10.255 -14.477 1.00 0.22 H new ATOM 0 HB3 CYS A 138 112.427 11.237 -15.564 1.00 0.22 H new ATOM 2088 N GLY A 139 109.156 12.076 -16.029 1.00 0.23 N ATOM 2089 CA GLY A 139 108.472 12.291 -17.302 1.00 0.28 C ATOM 2090 C GLY A 139 109.026 11.408 -18.425 1.00 0.40 C ATOM 2091 O GLY A 139 108.881 11.741 -19.601 1.00 0.61 O ATOM 0 H GLY A 139 108.659 11.470 -15.376 1.00 0.23 H new ATOM 0 HA2 GLY A 139 107.408 12.089 -17.177 1.00 0.28 H new ATOM 0 HA3 GLY A 139 108.566 13.338 -17.588 1.00 0.28 H new