USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=13 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 -41:sc= 1.23 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.929 K(o=2.2,f=-4!) USER MOD Single : A 59 LYS NZ :NH3+ 142:sc= -0.464 (180deg=-1.65!) USER MOD Single : A 60 GLN : amide:sc= -0.731 K(o=-0.73,f=-3.2!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -75:sc= 0.154 USER MOD Single : A 77 HIS : no HD1:sc= -1.99 K(o=-2,f=-4!) 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 164:sc= 0.0229 USER MOD Single : A 101 ASN : amide:sc= -2.08 K(o=-2.1,f=-6.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 77:sc= 0.221 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 82:sc= -0.423 USER MOD Single : A 136 ASN : amide:sc=-0.00494 K(o=-0.0049,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 108.631 15.891 -8.718 1.00 0.00 N ATOM 920 CA LYS A 59 109.006 15.654 -7.324 1.00 0.00 C ATOM 921 C LYS A 59 107.799 15.303 -6.450 1.00 0.00 C ATOM 922 O LYS A 59 106.710 15.846 -6.630 1.00 0.00 O ATOM 923 CB LYS A 59 109.688 16.907 -6.767 1.00 0.00 C ATOM 924 CG LYS A 59 110.235 16.628 -5.365 1.00 0.00 C ATOM 925 CD LYS A 59 110.835 17.912 -4.790 1.00 0.00 C ATOM 926 CE LYS A 59 111.519 17.608 -3.457 1.00 0.00 C ATOM 927 NZ LYS A 59 112.820 16.928 -3.709 1.00 0.00 N ATOM 0 HA LYS A 59 109.686 14.802 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.499 17.214 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 59 108.977 17.732 -6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 59 109.438 16.264 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 59 110.993 15.846 -5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.555 18.335 -5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.053 18.658 -4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 59 111.681 18.531 -2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 59 110.878 16.974 -2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 113.527 17.268 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 112.701 15.900 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 113.141 17.140 -4.675 1.00 0.00 H new ATOM 941 N GLN A 60 108.008 14.388 -5.504 1.00 0.00 N ATOM 942 CA GLN A 60 107.005 14.092 -4.482 1.00 0.00 C ATOM 943 C GLN A 60 107.668 13.724 -3.159 1.00 0.00 C ATOM 944 O GLN A 60 108.787 13.217 -3.134 1.00 0.00 O ATOM 945 CB GLN A 60 106.092 12.931 -4.885 1.00 0.00 C ATOM 946 CG GLN A 60 105.137 13.366 -5.993 1.00 0.00 C ATOM 947 CD GLN A 60 104.081 12.287 -6.217 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.324 11.324 -6.945 1.00 0.00 O ATOM 949 NE2 GLN A 60 102.921 12.372 -5.618 1.00 0.00 N ATOM 0 H GLN A 60 108.864 13.839 -5.424 1.00 0.00 H new ATOM 0 HA GLN A 60 106.409 14.998 -4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.693 12.088 -5.225 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.524 12.589 -4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.657 14.307 -5.724 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.691 13.543 -6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.716 13.168 -5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.222 11.642 -5.755 1.00 0.00 H new ATOM 958 N ASP A 61 106.961 13.971 -2.062 1.00 0.00 N ATOM 959 CA ASP A 61 107.406 13.491 -0.760 1.00 0.00 C ATOM 960 C ASP A 61 106.782 12.125 -0.493 1.00 0.00 C ATOM 961 O ASP A 61 105.562 11.972 -0.561 1.00 0.00 O ATOM 962 CB ASP A 61 106.997 14.476 0.337 1.00 0.00 C ATOM 963 CG ASP A 61 107.686 15.823 0.133 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.788 15.838 -0.393 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.099 16.825 0.507 1.00 0.00 O ATOM 0 H ASP A 61 106.086 14.495 -2.048 1.00 0.00 H new ATOM 0 HA ASP A 61 108.493 13.405 -0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.915 14.610 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.260 14.071 1.314 1.00 0.00 H new ATOM 970 N ILE A 62 107.614 11.130 -0.193 1.00 0.00 N ATOM 971 CA ILE A 62 107.129 9.762 -0.014 1.00 0.00 C ATOM 972 C ILE A 62 107.520 9.237 1.370 1.00 0.00 C ATOM 973 O ILE A 62 108.603 9.550 1.865 1.00 0.00 O ATOM 974 CB ILE A 62 107.694 8.884 -1.141 1.00 0.00 C ATOM 975 CG1 ILE A 62 107.005 7.519 -1.125 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.211 8.704 -1.004 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.641 7.628 -1.813 1.00 0.00 C ATOM 0 H ILE A 62 108.620 11.243 -0.069 1.00 0.00 H new ATOM 0 HA ILE A 62 106.041 9.738 -0.069 1.00 0.00 H new ATOM 0 HB ILE A 62 107.500 9.383 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.624 6.781 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.880 7.175 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.578 8.078 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.698 9.678 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.436 8.228 -0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 62 105.149 6.655 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 62 105.023 8.353 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.779 7.953 -2.844 1.00 0.00 H new ATOM 989 N SER A 63 106.653 8.434 1.986 1.00 0.00 N ATOM 990 CA SER A 63 106.884 8.017 3.368 1.00 0.00 C ATOM 991 C SER A 63 106.297 6.640 3.663 1.00 0.00 C ATOM 992 O SER A 63 105.408 6.153 2.962 1.00 0.00 O ATOM 993 CB SER A 63 106.275 9.043 4.324 1.00 0.00 C ATOM 994 OG SER A 63 104.857 8.966 4.251 1.00 0.00 O ATOM 0 H SER A 63 105.802 8.066 1.561 1.00 0.00 H new ATOM 0 HA SER A 63 107.963 7.955 3.513 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.610 8.851 5.344 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.611 10.046 4.062 1.00 0.00 H new ATOM 0 HG SER A 63 104.583 8.858 3.316 1.00 0.00 H new ATOM 1000 N GLU A 64 106.796 6.026 4.731 1.00 0.00 N ATOM 1001 CA GLU A 64 106.325 4.712 5.145 1.00 0.00 C ATOM 1002 C GLU A 64 104.813 4.700 5.359 1.00 0.00 C ATOM 1003 O GLU A 64 104.155 3.703 5.067 1.00 0.00 O ATOM 1004 CB GLU A 64 107.028 4.288 6.437 1.00 0.00 C ATOM 1005 CG GLU A 64 106.765 5.324 7.535 1.00 0.00 C ATOM 1006 CD GLU A 64 107.530 4.998 8.823 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.137 3.941 8.908 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.495 5.826 9.719 1.00 0.00 O ATOM 0 H GLU A 64 107.527 6.419 5.325 1.00 0.00 H new ATOM 0 HA GLU A 64 106.561 4.008 4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.667 3.309 6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.100 4.192 6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.057 6.312 7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.697 5.365 7.748 1.00 0.00 H new ATOM 1015 N ALA A 65 104.257 5.810 5.838 1.00 0.00 N ATOM 1016 CA ALA A 65 102.827 5.867 6.124 1.00 0.00 C ATOM 1017 C ALA A 65 102.006 5.548 4.879 1.00 0.00 C ATOM 1018 O ALA A 65 101.035 4.793 4.943 1.00 0.00 O ATOM 1019 CB ALA A 65 102.446 7.259 6.633 1.00 0.00 C ATOM 0 H ALA A 65 104.767 6.671 6.034 1.00 0.00 H new ATOM 0 HA ALA A 65 102.610 5.122 6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.377 7.290 6.843 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.001 7.477 7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.688 8.003 5.874 1.00 0.00 H new ATOM 1025 N ASN A 66 102.398 6.126 3.747 1.00 0.00 N ATOM 1026 CA ASN A 66 101.631 5.958 2.517 1.00 0.00 C ATOM 1027 C ASN A 66 101.759 4.537 1.977 1.00 0.00 C ATOM 1028 O ASN A 66 100.767 3.914 1.600 1.00 0.00 O ATOM 1029 CB ASN A 66 102.112 6.939 1.442 1.00 0.00 C ATOM 1030 CG ASN A 66 102.165 8.365 1.982 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.235 8.851 2.350 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.072 9.073 2.043 1.00 0.00 N ATOM 0 H ASN A 66 103.231 6.707 3.656 1.00 0.00 H new ATOM 0 HA ASN A 66 100.587 6.157 2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.101 6.643 1.092 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.443 6.897 0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.103 10.030 2.396 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.186 8.670 1.738 1.00 0.00 H new ATOM 1039 N LEU A 67 102.987 4.029 1.930 1.00 0.00 N ATOM 1040 CA LEU A 67 103.233 2.705 1.359 1.00 0.00 C ATOM 1041 C LEU A 67 102.760 1.566 2.265 1.00 0.00 C ATOM 1042 O LEU A 67 102.507 0.462 1.782 1.00 0.00 O ATOM 1043 CB LEU A 67 104.721 2.534 1.041 1.00 0.00 C ATOM 1044 CG LEU A 67 105.047 3.283 -0.256 1.00 0.00 C ATOM 1045 CD1 LEU A 67 105.127 4.784 0.027 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.383 2.789 -0.828 1.00 0.00 C ATOM 0 H LEU A 67 103.820 4.506 2.276 1.00 0.00 H new ATOM 0 HA LEU A 67 102.647 2.647 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.327 2.920 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.964 1.477 0.936 1.00 0.00 H new ATOM 0 HG LEU A 67 104.260 3.094 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.359 5.316 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 67 104.170 5.132 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.909 4.974 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.606 3.327 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 67 107.177 2.967 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.316 1.722 -1.038 1.00 0.00 H new ATOM 1058 N ALA A 68 102.646 1.818 3.571 1.00 0.00 N ATOM 1059 CA ALA A 68 102.263 0.778 4.526 1.00 0.00 C ATOM 1060 C ALA A 68 103.410 -0.238 4.643 1.00 0.00 C ATOM 1061 O ALA A 68 104.563 0.138 4.445 1.00 0.00 O ATOM 1062 CB ALA A 68 100.933 0.127 4.104 1.00 0.00 C ATOM 0 H ALA A 68 102.813 2.733 3.990 1.00 0.00 H new ATOM 0 HA ALA A 68 102.096 1.211 5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.661 -0.645 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.151 0.885 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 68 101.044 -0.321 3.117 1.00 0.00 H new ATOM 1068 N TYR A 69 103.124 -1.511 4.932 1.00 0.00 N ATOM 1069 CA TYR A 69 104.185 -2.508 5.092 1.00 0.00 C ATOM 1070 C TYR A 69 105.114 -2.552 3.872 1.00 0.00 C ATOM 1071 O TYR A 69 106.281 -2.926 3.991 1.00 0.00 O ATOM 1072 CB TYR A 69 103.575 -3.891 5.317 1.00 0.00 C ATOM 1073 CG TYR A 69 104.598 -4.938 5.693 1.00 0.00 C ATOM 1074 CD1 TYR A 69 104.992 -5.078 7.028 1.00 0.00 C ATOM 1075 CD2 TYR A 69 105.154 -5.762 4.707 1.00 0.00 C ATOM 1076 CE1 TYR A 69 105.943 -6.044 7.379 1.00 0.00 C ATOM 1077 CE2 TYR A 69 106.106 -6.728 5.058 1.00 0.00 C ATOM 1078 CZ TYR A 69 106.500 -6.868 6.394 1.00 0.00 C ATOM 1079 OH TYR A 69 107.440 -7.817 6.742 1.00 0.00 O ATOM 0 H TYR A 69 102.178 -1.872 5.059 1.00 0.00 H new ATOM 0 HA TYR A 69 104.778 -2.218 5.959 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.824 -3.826 6.105 1.00 0.00 H new ATOM 0 HB3 TYR A 69 103.059 -4.206 4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.563 -4.441 7.788 1.00 0.00 H new ATOM 0 HD2 TYR A 69 104.849 -5.653 3.677 1.00 0.00 H new ATOM 0 HE1 TYR A 69 106.247 -6.153 8.410 1.00 0.00 H new ATOM 0 HE2 TYR A 69 106.536 -7.364 4.298 1.00 0.00 H new ATOM 0 HH TYR A 69 107.724 -8.305 5.941 1.00 0.00 H new ATOM 1089 N LEU A 70 104.597 -2.171 2.706 1.00 0.00 N ATOM 1090 CA LEU A 70 105.379 -2.190 1.470 1.00 0.00 C ATOM 1091 C LEU A 70 106.699 -1.426 1.618 1.00 0.00 C ATOM 1092 O LEU A 70 107.682 -1.742 0.947 1.00 0.00 O ATOM 1093 CB LEU A 70 104.558 -1.575 0.333 1.00 0.00 C ATOM 1094 CG LEU A 70 105.300 -1.749 -0.993 1.00 0.00 C ATOM 1095 CD1 LEU A 70 105.291 -3.225 -1.393 1.00 0.00 C ATOM 1096 CD2 LEU A 70 104.601 -0.925 -2.077 1.00 0.00 C ATOM 0 H LEU A 70 103.638 -1.844 2.590 1.00 0.00 H new ATOM 0 HA LEU A 70 105.617 -3.229 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.580 -2.053 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 70 104.385 -0.517 0.528 1.00 0.00 H new ATOM 0 HG LEU A 70 106.330 -1.409 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 70 105.820 -3.349 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 70 105.785 -3.814 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.262 -3.565 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 70 105.128 -1.047 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 70 103.572 -1.267 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 70 104.604 0.127 -1.793 1.00 0.00 H new ATOM 1108 N TRP A 71 106.724 -0.429 2.500 1.00 0.00 N ATOM 1109 CA TRP A 71 107.905 0.409 2.680 1.00 0.00 C ATOM 1110 C TRP A 71 109.127 -0.461 3.010 1.00 0.00 C ATOM 1111 O TRP A 71 109.213 -0.978 4.126 1.00 0.00 O ATOM 1112 CB TRP A 71 107.657 1.368 3.843 1.00 0.00 C ATOM 1113 CG TRP A 71 108.653 2.479 3.931 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.604 2.593 4.883 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.807 3.637 3.058 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.322 3.751 4.659 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.877 4.426 3.543 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.131 4.078 1.909 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.261 5.610 2.908 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.513 5.264 1.266 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.577 6.029 1.764 1.00 0.00 C ATOM 0 H TRP A 71 105.938 -0.182 3.102 1.00 0.00 H new ATOM 0 HA TRP A 71 108.095 0.962 1.760 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.659 1.794 3.744 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.672 0.805 4.776 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.775 1.893 5.688 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.091 4.069 5.249 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.309 3.498 1.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.080 6.196 3.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.985 5.590 0.382 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.868 6.941 1.264 1.00 0.00 H new ATOM 1132 N PRO A 72 110.065 -0.644 2.103 1.00 0.00 N ATOM 1133 CA PRO A 72 111.213 -1.572 2.335 1.00 0.00 C ATOM 1134 C PRO A 72 112.415 -0.920 3.022 1.00 0.00 C ATOM 1135 O PRO A 72 113.331 -1.621 3.450 1.00 0.00 O ATOM 1136 CB PRO A 72 111.581 -2.007 0.921 1.00 0.00 C ATOM 1137 CG PRO A 72 111.322 -0.801 0.084 1.00 0.00 C ATOM 1138 CD PRO A 72 110.179 -0.040 0.759 1.00 0.00 C ATOM 0 HA PRO A 72 110.938 -2.383 3.010 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.624 -2.317 0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 72 110.977 -2.854 0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.214 -0.179 0.014 1.00 0.00 H new ATOM 0 HG3 PRO A 72 111.051 -1.085 -0.933 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.396 1.026 0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.250 -0.143 0.199 1.00 0.00 H new ATOM 1146 N LEU A 73 112.437 0.409 3.091 1.00 0.00 N ATOM 1147 CA LEU A 73 113.603 1.114 3.619 1.00 0.00 C ATOM 1148 C LEU A 73 113.556 1.228 5.139 1.00 0.00 C ATOM 1149 O LEU A 73 112.490 1.388 5.734 1.00 0.00 O ATOM 1150 CB LEU A 73 113.683 2.520 3.025 1.00 0.00 C ATOM 1151 CG LEU A 73 113.708 2.454 1.497 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.693 3.881 0.948 1.00 0.00 C ATOM 1153 CD2 LEU A 73 114.981 1.740 1.031 1.00 0.00 C ATOM 0 H LEU A 73 111.671 1.013 2.792 1.00 0.00 H new ATOM 0 HA LEU A 73 114.482 0.534 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.828 3.110 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.578 3.024 3.388 1.00 0.00 H new ATOM 0 HG LEU A 73 112.840 1.903 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.711 3.852 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.789 4.390 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.568 4.420 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 73 114.995 1.695 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.855 2.288 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.000 0.728 1.436 1.00 0.00 H new ATOM 1165 N THR A 74 114.732 1.142 5.752 1.00 0.00 N ATOM 1166 CA THR A 74 114.862 1.323 7.192 1.00 0.00 C ATOM 1167 C THR A 74 114.576 2.771 7.584 1.00 0.00 C ATOM 1168 O THR A 74 113.981 3.021 8.633 1.00 0.00 O ATOM 1169 CB THR A 74 116.275 0.942 7.643 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.217 1.799 7.016 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.564 -0.510 7.258 1.00 0.00 C ATOM 0 H THR A 74 115.611 0.947 5.272 1.00 0.00 H new ATOM 0 HA THR A 74 114.135 0.676 7.684 1.00 0.00 H new ATOM 0 HB THR A 74 116.352 1.048 8.725 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.325 1.536 6.078 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.570 -0.778 7.580 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.841 -1.166 7.743 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.487 -0.622 6.176 1.00 0.00 H new ATOM 1179 N VAL A 75 114.999 3.722 6.748 1.00 0.00 N ATOM 1180 CA VAL A 75 114.680 5.123 7.004 1.00 0.00 C ATOM 1181 C VAL A 75 113.179 5.309 6.843 1.00 0.00 C ATOM 1182 O VAL A 75 112.605 4.883 5.847 1.00 0.00 O ATOM 1183 CB VAL A 75 115.436 6.054 6.051 1.00 0.00 C ATOM 1184 CG1 VAL A 75 116.941 5.896 6.270 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.099 5.712 4.598 1.00 0.00 C ATOM 0 H VAL A 75 115.551 3.551 5.907 1.00 0.00 H new ATOM 0 HA VAL A 75 114.988 5.381 8.017 1.00 0.00 H new ATOM 0 HB VAL A 75 115.138 7.083 6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.479 6.558 5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.188 6.153 7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.231 4.864 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.643 6.381 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.386 4.681 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.028 5.830 4.436 1.00 0.00 H new ATOM 1195 N ASP A 76 112.545 5.929 7.829 1.00 0.00 N ATOM 1196 CA ASP A 76 111.088 5.965 7.873 1.00 0.00 C ATOM 1197 C ASP A 76 110.498 6.680 6.665 1.00 0.00 C ATOM 1198 O ASP A 76 109.401 6.334 6.222 1.00 0.00 O ATOM 1199 CB ASP A 76 110.612 6.643 9.161 1.00 0.00 C ATOM 1200 CG ASP A 76 111.026 5.827 10.384 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.131 4.616 10.266 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.232 6.428 11.426 1.00 0.00 O ATOM 0 H ASP A 76 113.009 6.409 8.601 1.00 0.00 H new ATOM 0 HA ASP A 76 110.738 4.933 7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.033 7.646 9.227 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.528 6.753 9.141 1.00 0.00 H new ATOM 1207 N HIS A 77 111.198 7.687 6.148 1.00 0.00 N ATOM 1208 CA HIS A 77 110.696 8.417 4.992 1.00 0.00 C ATOM 1209 C HIS A 77 111.846 8.887 4.117 1.00 0.00 C ATOM 1210 O HIS A 77 113.012 8.671 4.441 1.00 0.00 O ATOM 1211 CB HIS A 77 109.850 9.609 5.442 1.00 0.00 C ATOM 1212 CG HIS A 77 110.558 10.535 6.392 1.00 0.00 C ATOM 1213 ND1 HIS A 77 111.039 10.109 7.620 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.860 11.873 6.316 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.597 11.171 8.228 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.516 12.272 7.477 1.00 0.00 N ATOM 0 H HIS A 77 112.097 8.010 6.504 1.00 0.00 H new ATOM 0 HA HIS A 77 110.069 7.745 4.406 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.540 10.174 4.563 1.00 0.00 H new ATOM 0 HB3 HIS A 77 108.943 9.239 5.920 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.624 12.517 5.482 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.055 11.137 9.205 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.861 13.205 7.705 1.00 0.00 H new ATOM 1224 N GLY A 78 111.497 9.466 2.977 1.00 0.00 N ATOM 1225 CA GLY A 78 112.478 10.055 2.082 1.00 0.00 C ATOM 1226 C GLY A 78 111.766 10.815 0.970 1.00 0.00 C ATOM 1227 O GLY A 78 110.573 10.625 0.736 1.00 0.00 O ATOM 0 H GLY A 78 110.534 9.540 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.132 10.729 2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.110 9.276 1.656 1.00 0.00 H new ATOM 1231 N THR A 79 112.494 11.696 0.301 1.00 0.00 N ATOM 1232 CA THR A 79 111.919 12.483 -0.783 1.00 0.00 C ATOM 1233 C THR A 79 112.446 11.990 -2.127 1.00 0.00 C ATOM 1234 O THR A 79 113.628 11.690 -2.263 1.00 0.00 O ATOM 1235 CB THR A 79 112.272 13.958 -0.596 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.103 14.310 0.770 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.330 14.801 -1.456 1.00 0.00 C ATOM 0 H THR A 79 113.479 11.885 0.487 1.00 0.00 H new ATOM 0 HA THR A 79 110.835 12.369 -0.766 1.00 0.00 H new ATOM 0 HB THR A 79 113.306 14.136 -0.892 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.330 15.255 0.895 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.571 15.857 -1.332 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.447 14.523 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.300 14.625 -1.147 1.00 0.00 H new ATOM 1245 N ILE A 80 111.565 11.907 -3.118 1.00 0.00 N ATOM 1246 CA ILE A 80 111.949 11.428 -4.446 1.00 0.00 C ATOM 1247 C ILE A 80 111.946 12.585 -5.437 1.00 0.00 C ATOM 1248 O ILE A 80 111.005 13.379 -5.470 1.00 0.00 O ATOM 1249 CB ILE A 80 110.998 10.319 -4.920 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.530 10.757 -4.796 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.226 9.072 -4.063 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.636 9.821 -5.612 1.00 0.00 C ATOM 0 H ILE A 80 110.582 12.164 -3.030 1.00 0.00 H new ATOM 0 HA ILE A 80 112.955 11.013 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 80 111.205 10.107 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.225 10.745 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.416 11.782 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.556 8.278 -4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.259 8.742 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 80 111.026 9.307 -3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.597 10.138 -5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 80 108.934 9.855 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.739 8.802 -5.239 1.00 0.00 H new ATOM 1264 N GLU A 81 113.011 12.691 -6.230 1.00 0.00 N ATOM 1265 CA GLU A 81 113.138 13.818 -7.145 1.00 0.00 C ATOM 1266 C GLU A 81 113.882 13.444 -8.423 1.00 0.00 C ATOM 1267 O GLU A 81 114.800 12.621 -8.414 1.00 0.00 O ATOM 1268 CB GLU A 81 113.872 14.964 -6.443 1.00 0.00 C ATOM 1269 CG GLU A 81 113.839 16.221 -7.321 1.00 0.00 C ATOM 1270 CD GLU A 81 114.630 17.376 -6.696 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.210 17.201 -5.634 1.00 0.00 O ATOM 1272 OE2 GLU A 81 114.643 18.437 -7.299 1.00 0.00 O ATOM 0 H GLU A 81 113.782 12.024 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 81 112.132 14.127 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 81 113.405 15.170 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 81 114.904 14.677 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 81 114.251 15.989 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 81 112.805 16.530 -7.474 1.00 0.00 H new ATOM 1279 N CYS A 82 113.455 14.052 -9.524 1.00 0.00 N ATOM 1280 CA CYS A 82 114.213 13.993 -10.769 1.00 0.00 C ATOM 1281 C CYS A 82 114.950 15.317 -10.949 1.00 0.00 C ATOM 1282 O CYS A 82 114.325 16.372 -11.047 1.00 0.00 O ATOM 1283 CB CYS A 82 113.280 13.765 -11.962 1.00 0.00 C ATOM 1284 SG CYS A 82 112.227 12.325 -11.658 1.00 0.00 S ATOM 0 H CYS A 82 112.590 14.590 -9.580 1.00 0.00 H new ATOM 0 HA CYS A 82 114.919 13.164 -10.722 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.663 14.649 -12.126 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.866 13.613 -12.868 1.00 0.00 H new ATOM 1359 N ALA A 88 117.422 9.981 -11.915 1.00 0.00 N ATOM 1360 CA ALA A 88 116.429 9.756 -10.870 1.00 0.00 C ATOM 1361 C ALA A 88 117.100 9.307 -9.577 1.00 0.00 C ATOM 1362 O ALA A 88 117.750 8.258 -9.536 1.00 0.00 O ATOM 1363 CB ALA A 88 115.431 8.690 -11.326 1.00 0.00 C ATOM 0 HA ALA A 88 115.905 10.693 -10.684 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.691 8.525 -10.543 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.929 9.026 -12.234 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.960 7.759 -11.527 1.00 0.00 H new ATOM 1369 N VAL A 89 116.910 10.080 -8.507 1.00 0.00 N ATOM 1370 CA VAL A 89 117.559 9.777 -7.231 1.00 0.00 C ATOM 1371 C VAL A 89 116.583 9.870 -6.058 1.00 0.00 C ATOM 1372 O VAL A 89 115.548 10.535 -6.130 1.00 0.00 O ATOM 1373 CB VAL A 89 118.720 10.743 -6.986 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.780 10.565 -8.075 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.205 12.185 -7.009 1.00 0.00 C ATOM 0 H VAL A 89 116.319 10.911 -8.497 1.00 0.00 H new ATOM 0 HA VAL A 89 117.927 8.753 -7.294 1.00 0.00 H new ATOM 0 HB VAL A 89 119.162 10.530 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.605 11.255 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.153 9.541 -8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.338 10.772 -9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 89 119.034 12.870 -6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.758 12.396 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.455 12.316 -6.229 1.00 0.00 H new ATOM 1385 N PHE A 90 116.954 9.194 -4.976 1.00 0.00 N ATOM 1386 CA PHE A 90 116.184 9.181 -3.737 1.00 0.00 C ATOM 1387 C PHE A 90 116.976 9.868 -2.626 1.00 0.00 C ATOM 1388 O PHE A 90 118.136 9.543 -2.397 1.00 0.00 O ATOM 1389 CB PHE A 90 115.910 7.725 -3.352 1.00 0.00 C ATOM 1390 CG PHE A 90 115.219 7.536 -2.022 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.844 7.771 -1.899 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.957 7.107 -0.912 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.208 7.574 -0.666 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.323 6.911 0.319 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.948 7.143 0.441 1.00 0.00 C ATOM 0 H PHE A 90 117.806 8.634 -4.934 1.00 0.00 H new ATOM 0 HA PHE A 90 115.244 9.715 -3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.299 7.268 -4.130 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.857 7.186 -3.332 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.274 8.104 -2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.018 6.927 -1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.148 7.755 -0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.894 6.581 1.175 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.457 6.989 1.391 1.00 0.00 H new ATOM 1405 N VAL A 91 116.351 10.815 -1.935 1.00 0.00 N ATOM 1406 CA VAL A 91 117.013 11.528 -0.843 1.00 0.00 C ATOM 1407 C VAL A 91 116.417 11.094 0.493 1.00 0.00 C ATOM 1408 O VAL A 91 115.201 11.075 0.655 1.00 0.00 O ATOM 1409 CB VAL A 91 116.836 13.042 -1.037 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.486 13.828 0.115 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.477 13.445 -2.370 1.00 0.00 C ATOM 0 H VAL A 91 115.390 11.108 -2.109 1.00 0.00 H new ATOM 0 HA VAL A 91 118.077 11.291 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 91 115.772 13.278 -1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.345 14.896 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.022 13.541 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.552 13.604 0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.359 14.518 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.538 13.196 -2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.991 12.908 -3.185 1.00 0.00 H new ATOM 1421 N ALA A 92 117.279 10.767 1.451 1.00 0.00 N ATOM 1422 CA ALA A 92 116.806 10.374 2.778 1.00 0.00 C ATOM 1423 C ALA A 92 116.907 11.547 3.757 1.00 0.00 C ATOM 1424 O ALA A 92 117.725 12.441 3.550 1.00 0.00 O ATOM 1425 CB ALA A 92 117.637 9.200 3.299 1.00 0.00 C ATOM 0 H ALA A 92 118.293 10.765 1.339 1.00 0.00 H new ATOM 0 HA ALA A 92 115.761 10.074 2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.280 8.912 4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.540 8.355 2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.684 9.496 3.363 1.00 0.00 H new ATOM 1431 N PRO A 93 116.114 11.575 4.810 1.00 0.00 N ATOM 1432 CA PRO A 93 116.183 12.685 5.811 1.00 0.00 C ATOM 1433 C PRO A 93 117.607 12.982 6.280 1.00 0.00 C ATOM 1434 O PRO A 93 117.908 14.099 6.701 1.00 0.00 O ATOM 1435 CB PRO A 93 115.328 12.200 6.984 1.00 0.00 C ATOM 1436 CG PRO A 93 114.392 11.189 6.417 1.00 0.00 C ATOM 1437 CD PRO A 93 115.057 10.606 5.171 1.00 0.00 C ATOM 0 HA PRO A 93 115.830 13.619 5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 93 115.949 11.762 7.765 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.782 13.027 7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.185 10.405 7.145 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.437 11.649 6.164 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.477 9.621 5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.339 10.486 4.360 1.00 0.00 H new ATOM 1445 N ASP A 94 118.477 11.982 6.207 1.00 0.00 N ATOM 1446 CA ASP A 94 119.853 12.145 6.674 1.00 0.00 C ATOM 1447 C ASP A 94 120.647 13.163 5.843 1.00 0.00 C ATOM 1448 O ASP A 94 121.741 13.562 6.244 1.00 0.00 O ATOM 1449 CB ASP A 94 120.561 10.781 6.657 1.00 0.00 C ATOM 1450 CG ASP A 94 120.454 10.097 5.289 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.054 10.744 4.335 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.784 8.923 5.209 1.00 0.00 O ATOM 0 H ASP A 94 118.260 11.058 5.833 1.00 0.00 H new ATOM 0 HA ASP A 94 119.810 12.537 7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.612 10.914 6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.125 10.136 7.420 1.00 0.00 H new ATOM 1457 N GLY A 95 120.116 13.586 4.694 1.00 0.00 N ATOM 1458 CA GLY A 95 120.839 14.508 3.814 1.00 0.00 C ATOM 1459 C GLY A 95 121.733 13.783 2.795 1.00 0.00 C ATOM 1460 O GLY A 95 122.530 14.419 2.108 1.00 0.00 O ATOM 0 H GLY A 95 119.196 13.308 4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 95 120.121 15.132 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.453 15.174 4.420 1.00 0.00 H new ATOM 1464 N THR A 96 121.603 12.459 2.699 1.00 0.00 N ATOM 1465 CA THR A 96 122.392 11.665 1.775 1.00 0.00 C ATOM 1466 C THR A 96 121.562 11.367 0.537 1.00 0.00 C ATOM 1467 O THR A 96 120.371 11.071 0.643 1.00 0.00 O ATOM 1468 CB THR A 96 122.788 10.348 2.449 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.482 10.626 3.657 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.685 9.526 1.520 1.00 0.00 C ATOM 0 H THR A 96 120.948 11.915 3.261 1.00 0.00 H new ATOM 0 HA THR A 96 123.290 12.215 1.492 1.00 0.00 H new ATOM 0 HB THR A 96 121.887 9.775 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.735 9.784 4.090 1.00 0.00 H new ATOM 0 HG21 THR A 96 123.959 8.592 2.011 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.149 9.306 0.597 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.587 10.093 1.289 1.00 0.00 H new ATOM 1478 N THR A 97 122.186 11.452 -0.631 1.00 0.00 N ATOM 1479 CA THR A 97 121.489 11.152 -1.873 1.00 0.00 C ATOM 1480 C THR A 97 121.894 9.773 -2.380 1.00 0.00 C ATOM 1481 O THR A 97 123.078 9.456 -2.490 1.00 0.00 O ATOM 1482 CB THR A 97 121.821 12.207 -2.930 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.537 13.499 -2.410 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.977 11.964 -4.182 1.00 0.00 C ATOM 0 H THR A 97 123.163 11.723 -0.743 1.00 0.00 H new ATOM 0 HA THR A 97 120.416 11.162 -1.683 1.00 0.00 H new ATOM 0 HB THR A 97 122.878 12.141 -3.190 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.750 14.177 -3.084 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.215 12.717 -4.933 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.194 10.973 -4.580 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.919 12.029 -3.926 1.00 0.00 H new ATOM 1492 N TYR A 98 120.889 8.965 -2.685 1.00 0.00 N ATOM 1493 CA TYR A 98 121.101 7.625 -3.211 1.00 0.00 C ATOM 1494 C TYR A 98 120.577 7.564 -4.642 1.00 0.00 C ATOM 1495 O TYR A 98 119.619 8.253 -4.979 1.00 0.00 O ATOM 1496 CB TYR A 98 120.348 6.606 -2.351 1.00 0.00 C ATOM 1497 CG TYR A 98 120.743 6.607 -0.889 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.786 5.787 -0.441 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.057 7.420 0.022 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.143 5.781 0.914 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.415 7.416 1.376 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.457 6.597 1.824 1.00 0.00 C ATOM 1503 OH TYR A 98 121.809 6.592 3.160 1.00 0.00 O ATOM 0 H TYR A 98 119.907 9.219 -2.575 1.00 0.00 H new ATOM 0 HA TYR A 98 122.165 7.391 -3.195 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.279 6.805 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.516 5.609 -2.759 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.316 5.158 -1.141 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.250 8.051 -0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 98 122.947 5.147 1.257 1.00 0.00 H new ATOM 0 HE2 TYR A 98 119.886 8.046 2.075 1.00 0.00 H new ATOM 0 HH TYR A 98 121.422 7.375 3.603 1.00 0.00 H new ATOM 1513 N ALA A 99 121.195 6.738 -5.475 1.00 0.00 N ATOM 1514 CA ALA A 99 120.777 6.619 -6.868 1.00 0.00 C ATOM 1515 C ALA A 99 119.669 5.579 -7.004 1.00 0.00 C ATOM 1516 O ALA A 99 119.822 4.435 -6.574 1.00 0.00 O ATOM 1517 CB ALA A 99 121.975 6.219 -7.731 1.00 0.00 C ATOM 0 H ALA A 99 121.982 6.144 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 99 120.393 7.582 -7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.661 6.131 -8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.752 6.979 -7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.367 5.262 -7.388 1.00 0.00 H new ATOM 1523 N LEU A 100 118.554 5.983 -7.606 1.00 0.00 N ATOM 1524 CA LEU A 100 117.427 5.079 -7.789 1.00 0.00 C ATOM 1525 C LEU A 100 117.632 4.219 -9.026 1.00 0.00 C ATOM 1526 O LEU A 100 117.522 2.994 -8.973 1.00 0.00 O ATOM 1527 CB LEU A 100 116.130 5.871 -7.957 1.00 0.00 C ATOM 1528 CG LEU A 100 115.619 6.344 -6.598 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.624 7.485 -6.814 1.00 0.00 C ATOM 1530 CD2 LEU A 100 114.911 5.183 -5.898 1.00 0.00 C ATOM 0 H LEU A 100 118.409 6.924 -7.972 1.00 0.00 H new ATOM 0 HA LEU A 100 117.360 4.444 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.301 6.729 -8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.376 5.250 -8.441 1.00 0.00 H new ATOM 0 HG LEU A 100 116.452 6.689 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.252 7.831 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.120 8.308 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.789 7.130 -7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.543 5.514 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.073 4.847 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.612 4.360 -5.760 1.00 0.00 H new ATOM 1542 N ASN A 101 117.932 4.876 -10.145 1.00 0.00 N ATOM 1543 CA ASN A 101 118.063 4.172 -11.424 1.00 0.00 C ATOM 1544 C ASN A 101 119.502 4.178 -11.936 1.00 0.00 C ATOM 1545 O ASN A 101 120.363 4.903 -11.436 1.00 0.00 O ATOM 1546 CB ASN A 101 117.125 4.796 -12.464 1.00 0.00 C ATOM 1547 CG ASN A 101 117.536 6.226 -12.803 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.563 6.716 -12.339 1.00 0.00 O ATOM 1549 ND2 ASN A 101 116.782 6.934 -13.599 1.00 0.00 N ATOM 0 H ASN A 101 118.088 5.883 -10.195 1.00 0.00 H new ATOM 0 HA ASN A 101 117.782 3.132 -11.259 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.131 4.190 -13.370 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.104 4.791 -12.084 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.046 7.891 -13.834 1.00 0.00 H new ATOM 0 HD22 ASN A 101 115.929 6.530 -13.986 1.00 0.00 H new ATOM 1556 N ASP A 102 119.751 3.351 -12.945 1.00 0.00 N ATOM 1557 CA ASP A 102 121.096 3.187 -13.490 1.00 0.00 C ATOM 1558 C ASP A 102 121.726 4.528 -13.856 1.00 0.00 C ATOM 1559 O ASP A 102 122.936 4.704 -13.735 1.00 0.00 O ATOM 1560 CB ASP A 102 121.045 2.296 -14.734 1.00 0.00 C ATOM 1561 CG ASP A 102 120.605 0.879 -14.368 1.00 0.00 C ATOM 1562 OD1 ASP A 102 120.863 0.459 -13.251 1.00 0.00 O ATOM 1563 OD2 ASP A 102 120.013 0.232 -15.216 1.00 0.00 O ATOM 0 H ASP A 102 119.039 2.782 -13.404 1.00 0.00 H new ATOM 0 HA ASP A 102 121.711 2.723 -12.719 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.354 2.720 -15.462 1.00 0.00 H new ATOM 0 HB3 ASP A 102 122.027 2.266 -15.206 1.00 0.00 H new ATOM 1568 N ARG A 103 120.911 5.472 -14.310 1.00 0.00 N ATOM 1569 CA ARG A 103 121.424 6.765 -14.746 1.00 0.00 C ATOM 1570 C ARG A 103 122.110 7.489 -13.589 1.00 0.00 C ATOM 1571 O ARG A 103 123.236 7.972 -13.716 1.00 0.00 O ATOM 1572 CB ARG A 103 120.259 7.590 -15.288 1.00 0.00 C ATOM 1573 CG ARG A 103 119.691 6.881 -16.521 1.00 0.00 C ATOM 1574 CD ARG A 103 118.457 7.628 -17.023 1.00 0.00 C ATOM 1575 NE ARG A 103 118.841 8.952 -17.508 1.00 0.00 N ATOM 1576 CZ ARG A 103 119.242 9.201 -18.759 1.00 0.00 C ATOM 1577 NH1 ARG A 103 119.303 8.268 -19.678 1.00 0.00 N ATOM 1578 NH2 ARG A 103 119.580 10.423 -19.058 1.00 0.00 N ATOM 0 H ARG A 103 119.899 5.368 -14.386 1.00 0.00 H new ATOM 0 HA ARG A 103 122.168 6.623 -15.530 1.00 0.00 H new ATOM 0 HB2 ARG A 103 119.487 7.701 -14.526 1.00 0.00 H new ATOM 0 HB3 ARG A 103 120.595 8.593 -15.550 1.00 0.00 H new ATOM 0 HG2 ARG A 103 120.445 6.837 -17.306 1.00 0.00 H new ATOM 0 HG3 ARG A 103 119.429 5.853 -16.272 1.00 0.00 H new ATOM 0 HD2 ARG A 103 117.979 7.062 -17.823 1.00 0.00 H new ATOM 0 HD3 ARG A 103 117.727 7.723 -16.219 1.00 0.00 H new ATOM 0 HE ARG A 103 118.801 9.733 -16.853 1.00 0.00 H new ATOM 0 HH11 ARG A 103 119.039 7.310 -19.450 1.00 0.00 H new ATOM 0 HH12 ARG A 103 119.615 8.501 -20.621 1.00 0.00 H new ATOM 0 HH21 ARG A 103 119.534 11.153 -18.347 1.00 0.00 H new ATOM 0 HH22 ARG A 103 119.891 10.650 -20.003 1.00 0.00 H new ATOM 1592 N ALA A 104 121.445 7.523 -12.441 1.00 0.00 N ATOM 1593 CA ALA A 104 122.031 8.121 -11.244 1.00 0.00 C ATOM 1594 C ALA A 104 123.315 7.398 -10.829 1.00 0.00 C ATOM 1595 O ALA A 104 124.240 8.017 -10.294 1.00 0.00 O ATOM 1596 CB ALA A 104 121.020 8.075 -10.097 1.00 0.00 C ATOM 0 H ALA A 104 120.506 7.147 -12.312 1.00 0.00 H new ATOM 0 HA ALA A 104 122.285 9.156 -11.473 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.460 8.522 -9.206 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.126 8.631 -10.378 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.753 7.039 -9.889 1.00 0.00 H new ATOM 1602 N GLU A 105 123.363 6.083 -11.042 1.00 0.00 N ATOM 1603 CA GLU A 105 124.580 5.326 -10.753 1.00 0.00 C ATOM 1604 C GLU A 105 125.727 5.820 -11.631 1.00 0.00 C ATOM 1605 O GLU A 105 126.851 5.988 -11.162 1.00 0.00 O ATOM 1606 CB GLU A 105 124.356 3.830 -10.989 1.00 0.00 C ATOM 1607 CG GLU A 105 123.276 3.309 -10.036 1.00 0.00 C ATOM 1608 CD GLU A 105 123.701 3.451 -8.573 1.00 0.00 C ATOM 1609 OE1 GLU A 105 124.881 3.627 -8.312 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.828 3.378 -7.724 1.00 0.00 O ATOM 0 H GLU A 105 122.589 5.528 -11.407 1.00 0.00 H new ATOM 0 HA GLU A 105 124.837 5.480 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 105 124.056 3.657 -12.022 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.286 3.285 -10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 105 122.349 3.857 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 105 123.070 2.261 -10.256 1.00 0.00 H new ATOM 1617 N LYS A 106 125.432 6.090 -12.899 1.00 0.00 N ATOM 1618 CA LYS A 106 126.429 6.667 -13.803 1.00 0.00 C ATOM 1619 C LYS A 106 126.938 8.012 -13.275 1.00 0.00 C ATOM 1620 O LYS A 106 128.105 8.358 -13.461 1.00 0.00 O ATOM 1621 CB LYS A 106 125.813 6.856 -15.193 1.00 0.00 C ATOM 1622 CG LYS A 106 126.879 7.332 -16.186 1.00 0.00 C ATOM 1623 CD LYS A 106 127.803 6.169 -16.555 1.00 0.00 C ATOM 1624 CE LYS A 106 128.806 6.631 -17.613 1.00 0.00 C ATOM 1625 NZ LYS A 106 129.870 5.600 -17.772 1.00 0.00 N ATOM 0 H LYS A 106 124.520 5.921 -13.324 1.00 0.00 H new ATOM 0 HA LYS A 106 127.275 5.983 -13.865 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.379 5.917 -15.537 1.00 0.00 H new ATOM 0 HB3 LYS A 106 125.002 7.583 -15.143 1.00 0.00 H new ATOM 0 HG2 LYS A 106 126.402 7.728 -17.083 1.00 0.00 H new ATOM 0 HG3 LYS A 106 127.459 8.144 -15.748 1.00 0.00 H new ATOM 0 HD2 LYS A 106 128.330 5.814 -15.669 1.00 0.00 H new ATOM 0 HD3 LYS A 106 127.218 5.332 -16.935 1.00 0.00 H new ATOM 0 HE2 LYS A 106 128.299 6.795 -18.564 1.00 0.00 H new ATOM 0 HE3 LYS A 106 129.248 7.583 -17.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 130.552 5.914 -18.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 130.361 5.465 -16.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 129.441 4.701 -18.071 1.00 0.00 H new ATOM 1639 N ALA A 107 126.057 8.765 -12.619 1.00 0.00 N ATOM 1640 CA ALA A 107 126.429 10.043 -12.008 1.00 0.00 C ATOM 1641 C ALA A 107 127.359 9.882 -10.794 1.00 0.00 C ATOM 1642 O ALA A 107 127.800 10.878 -10.221 1.00 0.00 O ATOM 1643 CB ALA A 107 125.165 10.789 -11.575 1.00 0.00 C ATOM 0 H ALA A 107 125.077 8.512 -12.496 1.00 0.00 H new ATOM 0 HA ALA A 107 126.976 10.607 -12.763 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.442 11.740 -11.120 1.00 0.00 H new ATOM 0 HB2 ALA A 107 124.535 10.973 -12.445 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.617 10.186 -10.851 1.00 0.00 H new ATOM 1649 N GLY A 108 127.658 8.645 -10.400 1.00 0.00 N ATOM 1650 CA GLY A 108 128.559 8.395 -9.280 1.00 0.00 C ATOM 1651 C GLY A 108 127.891 8.572 -7.918 1.00 0.00 C ATOM 1652 O GLY A 108 128.573 8.824 -6.924 1.00 0.00 O ATOM 0 H GLY A 108 127.289 7.802 -10.840 1.00 0.00 H new ATOM 0 HA2 GLY A 108 128.950 7.380 -9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.411 9.071 -9.350 1.00 0.00 H new ATOM 1656 N HIS A 109 126.564 8.445 -7.864 1.00 0.00 N ATOM 1657 CA HIS A 109 125.866 8.466 -6.582 1.00 0.00 C ATOM 1658 C HIS A 109 125.767 7.040 -6.027 1.00 0.00 C ATOM 1659 O HIS A 109 125.582 6.105 -6.809 1.00 0.00 O ATOM 1660 CB HIS A 109 124.463 9.049 -6.759 1.00 0.00 C ATOM 1661 CG HIS A 109 124.437 10.553 -6.783 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.708 11.314 -5.658 1.00 0.00 N ATOM 1663 CD2 HIS A 109 124.176 11.450 -7.789 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.605 12.609 -6.008 1.00 0.00 C ATOM 1665 NE2 HIS A 109 124.282 12.749 -7.297 1.00 0.00 N ATOM 0 H HIS A 109 125.962 8.329 -8.679 1.00 0.00 H new ATOM 0 HA HIS A 109 126.423 9.089 -5.883 1.00 0.00 H new ATOM 0 HB2 HIS A 109 124.036 8.671 -7.688 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.826 8.695 -5.948 1.00 0.00 H new ATOM 0 HD2 HIS A 109 123.927 11.188 -8.807 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.764 13.434 -5.330 1.00 0.00 H new ATOM 0 HE2 HIS A 109 124.143 13.619 -7.810 1.00 0.00 H new ATOM 1673 N PRO A 110 125.879 6.835 -4.729 1.00 0.00 N ATOM 1674 CA PRO A 110 125.805 5.457 -4.152 1.00 0.00 C ATOM 1675 C PRO A 110 124.373 4.920 -4.180 1.00 0.00 C ATOM 1676 O PRO A 110 123.436 5.711 -4.110 1.00 0.00 O ATOM 1677 CB PRO A 110 126.298 5.627 -2.714 1.00 0.00 C ATOM 1678 CG PRO A 110 125.984 7.040 -2.360 1.00 0.00 C ATOM 1679 CD PRO A 110 126.042 7.842 -3.660 1.00 0.00 C ATOM 0 HA PRO A 110 126.400 4.739 -4.717 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.797 4.931 -2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.367 5.430 -2.638 1.00 0.00 H new ATOM 0 HG2 PRO A 110 124.997 7.114 -1.903 1.00 0.00 H new ATOM 0 HG3 PRO A 110 126.701 7.426 -1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.252 8.592 -3.698 1.00 0.00 H new ATOM 0 HD3 PRO A 110 126.989 8.372 -3.756 1.00 0.00 H new ATOM 1687 N PRO A 111 124.167 3.625 -4.290 1.00 0.00 N ATOM 1688 CA PRO A 111 122.784 3.061 -4.378 1.00 0.00 C ATOM 1689 C PRO A 111 122.083 2.999 -3.022 1.00 0.00 C ATOM 1690 O PRO A 111 122.731 3.014 -1.976 1.00 0.00 O ATOM 1691 CB PRO A 111 122.994 1.662 -4.958 1.00 0.00 C ATOM 1692 CG PRO A 111 124.377 1.264 -4.568 1.00 0.00 C ATOM 1693 CD PRO A 111 125.178 2.549 -4.348 1.00 0.00 C ATOM 0 HA PRO A 111 122.133 3.686 -4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.259 0.961 -4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 111 122.879 1.667 -6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.361 0.661 -3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 111 124.835 0.655 -5.347 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.756 2.501 -3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 111 125.886 2.716 -5.159 1.00 0.00 H new ATOM 1701 N ILE A 112 120.753 2.933 -3.051 1.00 0.00 N ATOM 1702 CA ILE A 112 119.963 2.857 -1.819 1.00 0.00 C ATOM 1703 C ILE A 112 120.311 1.613 -0.982 1.00 0.00 C ATOM 1704 O ILE A 112 119.973 1.576 0.198 1.00 0.00 O ATOM 1705 CB ILE A 112 118.456 2.888 -2.159 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.133 4.220 -2.844 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.598 2.768 -0.888 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.682 4.238 -3.338 1.00 0.00 C ATOM 0 H ILE A 112 120.200 2.930 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 112 120.211 3.726 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 112 118.230 2.046 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.295 5.042 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.810 4.376 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.542 2.793 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.822 1.827 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.821 3.599 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.474 5.193 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.531 3.429 -4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.008 4.105 -2.492 1.00 0.00 H new ATOM 1720 N THR A 113 121.024 0.637 -1.554 1.00 0.00 N ATOM 1721 CA THR A 113 121.214 -0.662 -0.904 1.00 0.00 C ATOM 1722 C THR A 113 121.528 -0.620 0.603 1.00 0.00 C ATOM 1723 O THR A 113 120.934 -1.419 1.331 1.00 0.00 O ATOM 1724 CB THR A 113 122.229 -1.528 -1.675 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.016 -2.891 -1.340 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.687 -1.167 -1.363 1.00 0.00 C ATOM 0 H THR A 113 121.478 0.722 -2.464 1.00 0.00 H new ATOM 0 HA THR A 113 120.232 -1.134 -0.950 1.00 0.00 H new ATOM 0 HB THR A 113 122.069 -1.344 -2.737 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.656 -3.451 -1.827 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.352 -1.812 -1.937 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.870 -0.127 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 113 123.876 -1.306 -0.299 1.00 0.00 H new ATOM 1734 N PRO A 114 122.358 0.271 1.123 1.00 0.00 N ATOM 1735 CA PRO A 114 122.761 0.195 2.566 1.00 0.00 C ATOM 1736 C PRO A 114 121.573 0.342 3.518 1.00 0.00 C ATOM 1737 O PRO A 114 121.602 -0.171 4.637 1.00 0.00 O ATOM 1738 CB PRO A 114 123.769 1.338 2.758 1.00 0.00 C ATOM 1739 CG PRO A 114 124.167 1.756 1.386 1.00 0.00 C ATOM 1740 CD PRO A 114 122.958 1.466 0.501 1.00 0.00 C ATOM 0 HA PRO A 114 123.187 -0.780 2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.322 2.167 3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.634 1.006 3.333 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.428 2.814 1.359 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.043 1.203 1.046 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.261 2.304 0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.252 1.277 -0.531 1.00 0.00 H new ATOM 1748 N ILE A 115 120.530 1.042 3.075 1.00 0.00 N ATOM 1749 CA ILE A 115 119.349 1.274 3.915 1.00 0.00 C ATOM 1750 C ILE A 115 118.192 0.314 3.615 1.00 0.00 C ATOM 1751 O ILE A 115 117.111 0.494 4.171 1.00 0.00 O ATOM 1752 CB ILE A 115 118.836 2.722 3.802 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.801 3.202 2.340 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.723 3.647 4.639 1.00 0.00 C ATOM 1755 CD1 ILE A 115 118.019 4.517 2.230 1.00 0.00 C ATOM 0 H ILE A 115 120.475 1.458 2.145 1.00 0.00 H new ATOM 0 HA ILE A 115 119.691 1.086 4.933 1.00 0.00 H new ATOM 0 HB ILE A 115 117.814 2.749 4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.817 3.343 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.337 2.442 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.359 4.671 4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.694 3.333 5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.749 3.597 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 115 118.002 4.845 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.998 4.363 2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.500 5.279 2.843 1.00 0.00 H new ATOM 1767 N ARG A 116 118.393 -0.691 2.758 1.00 0.00 N ATOM 1768 CA ARG A 116 117.326 -1.648 2.467 1.00 0.00 C ATOM 1769 C ARG A 116 117.153 -2.634 3.618 1.00 0.00 C ATOM 1770 O ARG A 116 118.127 -3.045 4.249 1.00 0.00 O ATOM 1771 CB ARG A 116 117.621 -2.432 1.186 1.00 0.00 C ATOM 1772 CG ARG A 116 117.632 -1.491 -0.019 1.00 0.00 C ATOM 1773 CD ARG A 116 117.742 -2.308 -1.310 1.00 0.00 C ATOM 1774 NE ARG A 116 118.923 -3.178 -1.279 1.00 0.00 N ATOM 1775 CZ ARG A 116 119.179 -4.110 -2.211 1.00 0.00 C ATOM 1776 NH1 ARG A 116 118.381 -4.319 -3.230 1.00 0.00 N ATOM 1777 NH2 ARG A 116 120.260 -4.833 -2.098 1.00 0.00 N ATOM 0 H ARG A 116 119.268 -0.860 2.262 1.00 0.00 H new ATOM 0 HA ARG A 116 116.408 -1.076 2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.584 -2.935 1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 116 116.868 -3.207 1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.722 -0.891 -0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 116 118.469 -0.797 0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 116 116.844 -2.912 -1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 116 117.802 -1.636 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 116 119.584 -3.069 -0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 116 117.532 -3.764 -3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 116 118.610 -5.037 -3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 116 120.893 -4.685 -1.312 1.00 0.00 H new ATOM 0 HH22 ARG A 116 120.472 -5.546 -2.796 1.00 0.00 H new ATOM 1791 N ALA A 117 115.906 -3.008 3.880 1.00 0.00 N ATOM 1792 CA ALA A 117 115.604 -3.995 4.909 1.00 0.00 C ATOM 1793 C ALA A 117 115.847 -5.408 4.392 1.00 0.00 C ATOM 1794 O ALA A 117 115.708 -5.673 3.197 1.00 0.00 O ATOM 1795 CB ALA A 117 114.137 -3.873 5.318 1.00 0.00 C ATOM 0 H ALA A 117 115.087 -2.642 3.394 1.00 0.00 H new ATOM 0 HA ALA A 117 116.256 -3.808 5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 117 113.911 -4.611 6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 117 113.950 -2.873 5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.501 -4.048 4.450 1.00 0.00 H new ATOM 1883 N ILE A 125 114.799 -6.757 0.306 1.00 0.00 N ATOM 1884 CA ILE A 125 113.476 -6.392 -0.187 1.00 0.00 C ATOM 1885 C ILE A 125 113.592 -5.410 -1.354 1.00 0.00 C ATOM 1886 O ILE A 125 114.342 -4.435 -1.294 1.00 0.00 O ATOM 1887 CB ILE A 125 112.650 -5.800 0.963 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.523 -6.853 2.072 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.252 -5.415 0.476 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.888 -6.248 3.329 1.00 0.00 C ATOM 0 HA ILE A 125 112.967 -7.282 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 125 113.149 -4.907 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.917 -7.688 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.508 -7.253 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.680 -4.997 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.335 -4.673 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.743 -6.300 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.808 -7.013 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.509 -5.429 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 125 110.894 -5.870 3.089 1.00 0.00 H new ATOM 1902 N SER A 126 112.836 -5.687 -2.414 1.00 0.00 N ATOM 1903 CA SER A 126 112.923 -4.913 -3.649 1.00 0.00 C ATOM 1904 C SER A 126 112.499 -3.464 -3.452 1.00 0.00 C ATOM 1905 O SER A 126 111.548 -3.167 -2.727 1.00 0.00 O ATOM 1906 CB SER A 126 112.036 -5.554 -4.717 1.00 0.00 C ATOM 1907 OG SER A 126 112.460 -6.893 -4.935 1.00 0.00 O ATOM 0 H SER A 126 112.154 -6.445 -2.442 1.00 0.00 H new ATOM 0 HA SER A 126 113.967 -4.916 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.994 -5.537 -4.399 1.00 0.00 H new ATOM 0 HB3 SER A 126 112.095 -4.985 -5.645 1.00 0.00 H new ATOM 0 HG SER A 126 111.893 -7.309 -5.618 1.00 0.00 H new ATOM 1913 N LEU A 127 113.225 -2.569 -4.114 1.00 0.00 N ATOM 1914 CA LEU A 127 112.837 -1.159 -4.181 1.00 0.00 C ATOM 1915 C LEU A 127 112.036 -0.840 -5.456 1.00 0.00 C ATOM 1916 O LEU A 127 111.811 0.328 -5.768 1.00 0.00 O ATOM 1917 CB LEU A 127 114.087 -0.268 -4.158 1.00 0.00 C ATOM 1918 CG LEU A 127 114.965 -0.594 -2.944 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.223 0.278 -2.982 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.197 -0.307 -1.653 1.00 0.00 C ATOM 0 H LEU A 127 114.086 -2.792 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 127 112.206 -0.961 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.659 -0.412 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.791 0.781 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 127 115.240 -1.648 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.850 0.049 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.778 0.077 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 127 115.938 1.330 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.827 -0.541 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 127 113.918 0.746 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.297 -0.921 -1.621 1.00 0.00 H new ATOM 1932 N GLY A 128 111.607 -1.863 -6.201 1.00 0.00 N ATOM 1933 CA GLY A 128 110.957 -1.652 -7.492 1.00 0.00 C ATOM 1934 C GLY A 128 109.848 -0.604 -7.434 1.00 0.00 C ATOM 1935 O GLY A 128 109.782 0.277 -8.291 1.00 0.00 O ATOM 0 H GLY A 128 111.699 -2.842 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.704 -1.343 -8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.540 -2.596 -7.842 1.00 0.00 H new ATOM 1939 N ALA A 129 108.992 -0.678 -6.418 1.00 0.00 N ATOM 1940 CA ALA A 129 107.859 0.240 -6.327 1.00 0.00 C ATOM 1941 C ALA A 129 108.336 1.688 -6.286 1.00 0.00 C ATOM 1942 O ALA A 129 107.856 2.536 -7.041 1.00 0.00 O ATOM 1943 CB ALA A 129 107.039 -0.064 -5.072 1.00 0.00 C ATOM 0 H ALA A 129 109.058 -1.353 -5.656 1.00 0.00 H new ATOM 0 HA ALA A 129 107.237 0.102 -7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.197 0.625 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.668 -1.088 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.668 0.054 -4.189 1.00 0.00 H new ATOM 1949 N LEU A 130 109.309 1.962 -5.425 1.00 0.00 N ATOM 1950 CA LEU A 130 109.827 3.316 -5.284 1.00 0.00 C ATOM 1951 C LEU A 130 110.385 3.815 -6.614 1.00 0.00 C ATOM 1952 O LEU A 130 110.150 4.957 -7.011 1.00 0.00 O ATOM 1953 CB LEU A 130 110.923 3.334 -4.217 1.00 0.00 C ATOM 1954 CG LEU A 130 111.398 4.768 -3.978 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.304 5.554 -3.252 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.664 4.744 -3.118 1.00 0.00 C ATOM 0 H LEU A 130 109.751 1.271 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 130 109.015 3.977 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.544 2.908 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.761 2.713 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 130 111.613 5.246 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.642 6.576 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.400 5.568 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.089 5.079 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.006 5.764 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.446 4.268 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.443 4.183 -3.633 1.00 0.00 H new ATOM 1968 N LEU A 131 111.102 2.943 -7.313 1.00 0.00 N ATOM 1969 CA LEU A 131 111.713 3.320 -8.581 1.00 0.00 C ATOM 1970 C LEU A 131 110.649 3.766 -9.576 1.00 0.00 C ATOM 1971 O LEU A 131 110.804 4.787 -10.244 1.00 0.00 O ATOM 1972 CB LEU A 131 112.492 2.132 -9.152 1.00 0.00 C ATOM 1973 CG LEU A 131 113.232 2.546 -10.427 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.410 3.452 -10.064 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.752 1.294 -11.137 1.00 0.00 C ATOM 0 H LEU A 131 111.273 1.979 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 131 112.396 4.152 -8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.204 1.766 -8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.809 1.311 -9.370 1.00 0.00 H new ATOM 0 HG LEU A 131 112.551 3.085 -11.086 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.936 3.746 -10.972 1.00 0.00 H new ATOM 0 HD12 LEU A 131 114.041 4.342 -9.554 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.093 2.914 -9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.280 1.584 -12.046 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.434 0.758 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.913 0.647 -11.395 1.00 0.00 H new ATOM 1987 N SER A 132 109.556 3.018 -9.647 1.00 0.00 N ATOM 1988 CA SER A 132 108.504 3.320 -10.609 1.00 0.00 C ATOM 1989 C SER A 132 107.945 4.717 -10.371 1.00 0.00 C ATOM 1990 O SER A 132 107.768 5.493 -11.312 1.00 0.00 O ATOM 1991 CB SER A 132 107.380 2.290 -10.499 1.00 0.00 C ATOM 1992 OG SER A 132 107.926 0.987 -10.651 1.00 0.00 O ATOM 0 H SER A 132 109.375 2.206 -9.057 1.00 0.00 H new ATOM 0 HA SER A 132 108.933 3.280 -11.610 1.00 0.00 H new ATOM 0 HB2 SER A 132 106.882 2.379 -9.533 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.626 2.473 -11.264 1.00 0.00 H new ATOM 0 HG SER A 132 108.380 0.724 -9.823 1.00 0.00 H new ATOM 1998 N THR A 133 107.703 5.050 -9.107 1.00 0.00 N ATOM 1999 CA THR A 133 107.132 6.351 -8.778 1.00 0.00 C ATOM 2000 C THR A 133 108.048 7.473 -9.252 1.00 0.00 C ATOM 2001 O THR A 133 107.602 8.430 -9.891 1.00 0.00 O ATOM 2002 CB THR A 133 106.918 6.463 -7.267 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.143 5.362 -6.817 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.185 7.768 -6.945 1.00 0.00 C ATOM 0 H THR A 133 107.890 4.448 -8.305 1.00 0.00 H new ATOM 0 HA THR A 133 106.172 6.444 -9.286 1.00 0.00 H new ATOM 0 HB THR A 133 107.885 6.459 -6.764 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.007 5.432 -5.849 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.034 7.844 -5.868 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.780 8.614 -7.289 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.218 7.776 -7.448 1.00 0.00 H new ATOM 2012 N THR A 134 109.338 7.336 -8.971 1.00 0.00 N ATOM 2013 CA THR A 134 110.295 8.377 -9.328 1.00 0.00 C ATOM 2014 C THR A 134 110.349 8.574 -10.840 1.00 0.00 C ATOM 2015 O THR A 134 110.374 9.704 -11.328 1.00 0.00 O ATOM 2016 CB THR A 134 111.679 8.018 -8.792 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.574 7.722 -7.407 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.626 9.204 -8.991 1.00 0.00 C ATOM 0 H THR A 134 109.743 6.525 -8.503 1.00 0.00 H new ATOM 0 HA THR A 134 109.969 9.314 -8.876 1.00 0.00 H new ATOM 0 HB THR A 134 112.070 7.152 -9.326 1.00 0.00 H new ATOM 0 HG1 THR A 134 111.275 6.796 -7.292 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.614 8.949 -8.609 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.697 9.438 -10.053 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.242 10.071 -8.453 1.00 0.00 H new ATOM 2026 N LEU A 135 110.340 7.472 -11.586 1.00 0.00 N ATOM 2027 CA LEU A 135 110.390 7.552 -13.043 1.00 0.00 C ATOM 2028 C LEU A 135 109.194 8.331 -13.581 1.00 0.00 C ATOM 2029 O LEU A 135 109.329 9.114 -14.522 1.00 0.00 O ATOM 2030 CB LEU A 135 110.405 6.147 -13.649 1.00 0.00 C ATOM 2031 CG LEU A 135 111.694 5.424 -13.254 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.605 3.956 -13.677 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.883 6.079 -13.959 1.00 0.00 C ATOM 0 H LEU A 135 110.299 6.524 -11.211 1.00 0.00 H new ATOM 0 HA LEU A 135 111.304 8.075 -13.325 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.540 5.582 -13.302 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.330 6.209 -14.735 1.00 0.00 H new ATOM 0 HG LEU A 135 111.828 5.487 -12.174 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.523 3.440 -13.396 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.757 3.485 -13.180 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.471 3.896 -14.757 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.802 5.564 -13.678 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.747 6.014 -15.039 1.00 0.00 H new ATOM 0 HD23 LEU A 135 112.949 7.126 -13.664 1.00 0.00 H new ATOM 2045 N ASN A 136 108.026 8.114 -12.985 1.00 0.00 N ATOM 2046 CA ASN A 136 106.824 8.821 -13.411 1.00 0.00 C ATOM 2047 C ASN A 136 107.012 10.328 -13.268 1.00 0.00 C ATOM 2048 O ASN A 136 106.615 11.099 -14.141 1.00 0.00 O ATOM 2049 CB ASN A 136 105.627 8.373 -12.571 1.00 0.00 C ATOM 2050 CG ASN A 136 105.335 6.893 -12.812 1.00 0.00 C ATOM 2051 OD1 ASN A 136 105.705 6.344 -13.850 1.00 0.00 O ATOM 2052 ND2 ASN A 136 104.690 6.211 -11.906 1.00 0.00 N ATOM 0 H ASN A 136 107.887 7.461 -12.214 1.00 0.00 H new ATOM 0 HA ASN A 136 106.639 8.585 -14.459 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.832 8.543 -11.514 1.00 0.00 H new ATOM 0 HB3 ASN A 136 104.751 8.970 -12.826 1.00 0.00 H new ATOM 0 HD21 ASN A 136 104.492 5.222 -12.057 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.384 6.667 -11.046 1.00 0.00 H new ATOM 2059 N LEU A 137 107.621 10.741 -12.161 1.00 0.00 N ATOM 2060 CA LEU A 137 107.873 12.161 -11.928 1.00 0.00 C ATOM 2061 C LEU A 137 108.794 12.736 -12.999 1.00 0.00 C ATOM 2062 O LEU A 137 108.591 13.854 -13.472 1.00 0.00 O ATOM 2063 CB LEU A 137 108.530 12.365 -10.560 1.00 0.00 C ATOM 2064 CG LEU A 137 107.659 11.773 -9.450 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.374 11.945 -8.107 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.311 12.498 -9.400 1.00 0.00 C ATOM 0 H LEU A 137 107.946 10.122 -11.418 1.00 0.00 H new ATOM 0 HA LEU A 137 106.913 12.676 -11.963 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.513 11.894 -10.549 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.685 13.429 -10.380 1.00 0.00 H new ATOM 0 HG LEU A 137 107.489 10.715 -9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.759 11.525 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.333 11.427 -8.136 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.540 13.005 -7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.697 12.070 -8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.475 13.557 -9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.800 12.383 -10.356 1.00 0.00 H new ATOM 2078 N CYS A 138 109.798 11.959 -13.390 1.00 0.00 N ATOM 2079 CA CYS A 138 110.764 12.423 -14.382 1.00 0.00 C ATOM 2080 C CYS A 138 110.100 12.770 -15.719 1.00 0.00 C ATOM 2081 O CYS A 138 110.632 13.579 -16.479 1.00 0.00 O ATOM 2082 CB CYS A 138 111.837 11.354 -14.606 1.00 0.00 C ATOM 2083 SG CYS A 138 112.770 10.987 -13.086 1.00 0.00 S ATOM 0 H CYS A 138 109.965 11.015 -13.041 1.00 0.00 H new ATOM 0 HA CYS A 138 111.218 13.333 -13.991 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.367 10.441 -14.971 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.526 11.690 -15.381 1.00 0.00 H new ATOM 2088 N GLY A 139 108.947 12.168 -16.010 1.00 0.00 N ATOM 2089 CA GLY A 139 108.220 12.486 -17.237 1.00 0.00 C ATOM 2090 C GLY A 139 108.775 11.754 -18.462 1.00 0.00 C ATOM 2091 O GLY A 139 108.584 12.205 -19.591 1.00 0.00 O ATOM 0 H GLY A 139 108.501 11.466 -15.420 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.169 12.226 -17.109 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.263 13.561 -17.411 1.00 0.00 H new