USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=12 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 -57:sc= 1.11 USER MOD Set 1.2: A 66 ASN : amide:sc= 1.08 K(o=2.2,f=-8.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.913 K(o=-0.91,f=-2.4!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -76:sc= 0.205 USER MOD Single : A 77 HIS : no HD1:sc= -2 K(o=-2,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 168:sc= 0.0307 USER MOD Single : A 101 ASN : amide:sc= -2.29 K(o=-2.3,f=-6.7!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc=-0.00516 X(o=-0.0052,f=-0.11) 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= 0.369 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 82:sc= -0.391 USER MOD Single : A 136 ASN : amide:sc= -0.0134 K(o=-0.013,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 109.044 16.528 -8.216 1.00 0.00 N ATOM 920 CA LYS A 59 109.280 15.813 -6.959 1.00 0.00 C ATOM 921 C LYS A 59 107.993 15.493 -6.189 1.00 0.00 C ATOM 922 O LYS A 59 106.952 16.118 -6.396 1.00 0.00 O ATOM 923 CB LYS A 59 110.247 16.625 -6.084 1.00 0.00 C ATOM 924 CG LYS A 59 109.589 17.920 -5.593 1.00 0.00 C ATOM 925 CD LYS A 59 110.616 18.762 -4.836 1.00 0.00 C ATOM 926 CE LYS A 59 109.901 19.887 -4.086 1.00 0.00 C ATOM 927 NZ LYS A 59 110.908 20.830 -3.525 1.00 0.00 N ATOM 0 HA LYS A 59 109.722 14.850 -7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.560 16.025 -5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.146 16.863 -6.653 1.00 0.00 H new ATOM 0 HG2 LYS A 59 109.195 18.483 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 59 108.745 17.687 -4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.168 18.137 -4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 59 111.344 19.180 -5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 59 109.227 20.417 -4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 59 109.289 19.473 -3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 110.421 21.595 -3.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.534 20.320 -2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 111.473 21.235 -4.298 1.00 0.00 H new ATOM 941 N GLN A 60 108.094 14.508 -5.297 1.00 0.00 N ATOM 942 CA GLN A 60 107.018 14.182 -4.359 1.00 0.00 C ATOM 943 C GLN A 60 107.600 13.740 -3.020 1.00 0.00 C ATOM 944 O GLN A 60 108.713 13.217 -2.962 1.00 0.00 O ATOM 945 CB GLN A 60 106.126 13.054 -4.884 1.00 0.00 C ATOM 946 CG GLN A 60 105.324 13.527 -6.096 1.00 0.00 C ATOM 947 CD GLN A 60 104.338 12.439 -6.516 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.718 11.495 -7.207 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.089 12.499 -6.130 1.00 0.00 N ATOM 0 H GLN A 60 108.919 13.916 -5.204 1.00 0.00 H new ATOM 0 HA GLN A 60 106.419 15.085 -4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.739 12.195 -5.158 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.447 12.723 -4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.787 14.444 -5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.997 13.760 -6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.769 13.280 -5.557 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.435 11.765 -6.402 1.00 0.00 H new ATOM 958 N ASP A 61 106.841 13.939 -1.948 1.00 0.00 N ATOM 959 CA ASP A 61 107.247 13.441 -0.638 1.00 0.00 C ATOM 960 C ASP A 61 106.640 12.062 -0.396 1.00 0.00 C ATOM 961 O ASP A 61 105.429 11.884 -0.513 1.00 0.00 O ATOM 962 CB ASP A 61 106.785 14.407 0.458 1.00 0.00 C ATOM 963 CG ASP A 61 107.460 15.766 0.292 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.580 15.804 -0.192 1.00 0.00 O ATOM 965 OD2 ASP A 61 106.843 16.755 0.654 1.00 0.00 O ATOM 0 H ASP A 61 105.950 14.436 -1.958 1.00 0.00 H new ATOM 0 HA ASP A 61 108.334 13.365 -0.611 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.702 14.524 0.415 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.022 13.994 1.439 1.00 0.00 H new ATOM 970 N ILE A 62 107.482 11.085 -0.058 1.00 0.00 N ATOM 971 CA ILE A 62 107.010 9.716 0.157 1.00 0.00 C ATOM 972 C ILE A 62 107.465 9.204 1.525 1.00 0.00 C ATOM 973 O ILE A 62 108.579 9.496 1.957 1.00 0.00 O ATOM 974 CB ILE A 62 107.532 8.819 -0.976 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.919 7.422 -0.858 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.060 8.716 -0.928 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.487 7.446 -1.392 1.00 0.00 C ATOM 0 H ILE A 62 108.485 11.213 0.072 1.00 0.00 H new ATOM 0 HA ILE A 62 105.920 9.697 0.146 1.00 0.00 H new ATOM 0 HB ILE A 62 107.243 9.265 -1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.516 6.703 -1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.925 7.098 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.407 8.076 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.495 9.709 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.366 8.289 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 62 105.051 6.451 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.894 8.153 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.494 7.752 -2.438 1.00 0.00 H new ATOM 989 N SER A 63 106.611 8.434 2.200 1.00 0.00 N ATOM 990 CA SER A 63 106.933 7.967 3.546 1.00 0.00 C ATOM 991 C SER A 63 106.375 6.572 3.814 1.00 0.00 C ATOM 992 O SER A 63 105.509 6.073 3.092 1.00 0.00 O ATOM 993 CB SER A 63 106.377 8.943 4.585 1.00 0.00 C ATOM 994 OG SER A 63 104.964 8.808 4.645 1.00 0.00 O ATOM 0 H SER A 63 105.706 8.125 1.844 1.00 0.00 H new ATOM 0 HA SER A 63 108.019 7.917 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.815 8.741 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.646 9.966 4.321 1.00 0.00 H new ATOM 0 HG SER A 63 104.583 8.956 3.754 1.00 0.00 H new ATOM 1000 N GLU A 64 106.881 5.946 4.871 1.00 0.00 N ATOM 1001 CA GLU A 64 106.417 4.621 5.262 1.00 0.00 C ATOM 1002 C GLU A 64 104.905 4.607 5.474 1.00 0.00 C ATOM 1003 O GLU A 64 104.243 3.627 5.142 1.00 0.00 O ATOM 1004 CB GLU A 64 107.125 4.174 6.544 1.00 0.00 C ATOM 1005 CG GLU A 64 106.875 5.193 7.661 1.00 0.00 C ATOM 1006 CD GLU A 64 107.655 4.847 8.935 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.255 3.784 9.000 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.632 5.661 9.843 1.00 0.00 O ATOM 0 H GLU A 64 107.610 6.333 5.470 1.00 0.00 H new ATOM 0 HA GLU A 64 106.656 3.928 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.761 3.192 6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.195 4.075 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.163 6.186 7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.809 5.230 7.887 1.00 0.00 H new ATOM 1015 N ALA A 65 104.357 5.702 5.995 1.00 0.00 N ATOM 1016 CA ALA A 65 102.918 5.778 6.228 1.00 0.00 C ATOM 1017 C ALA A 65 102.152 5.590 4.922 1.00 0.00 C ATOM 1018 O ALA A 65 101.119 4.920 4.890 1.00 0.00 O ATOM 1019 CB ALA A 65 102.554 7.133 6.838 1.00 0.00 C ATOM 0 H ALA A 65 104.879 6.537 6.260 1.00 0.00 H new ATOM 0 HA ALA A 65 102.642 4.982 6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.478 7.179 7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.076 7.257 7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.848 7.930 6.155 1.00 0.00 H new ATOM 1025 N ASN A 66 102.660 6.182 3.846 1.00 0.00 N ATOM 1026 CA ASN A 66 101.978 6.114 2.558 1.00 0.00 C ATOM 1027 C ASN A 66 101.955 4.691 2.010 1.00 0.00 C ATOM 1028 O ASN A 66 100.914 4.210 1.560 1.00 0.00 O ATOM 1029 CB ASN A 66 102.682 7.019 1.546 1.00 0.00 C ATOM 1030 CG ASN A 66 102.723 8.456 2.053 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.779 8.947 2.448 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.630 9.167 2.052 1.00 0.00 N ATOM 0 H ASN A 66 103.533 6.709 3.839 1.00 0.00 H new ATOM 0 HA ASN A 66 100.951 6.446 2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.696 6.660 1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 66 102.161 6.979 0.589 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.650 10.133 2.379 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.755 8.757 1.724 1.00 0.00 H new ATOM 1039 N LEU A 67 103.103 4.017 2.050 1.00 0.00 N ATOM 1040 CA LEU A 67 103.208 2.690 1.437 1.00 0.00 C ATOM 1041 C LEU A 67 102.888 1.539 2.400 1.00 0.00 C ATOM 1042 O LEU A 67 102.799 0.392 1.965 1.00 0.00 O ATOM 1043 CB LEU A 67 104.611 2.481 0.846 1.00 0.00 C ATOM 1044 CG LEU A 67 105.011 3.644 -0.084 1.00 0.00 C ATOM 1045 CD1 LEU A 67 106.404 3.393 -0.698 1.00 0.00 C ATOM 1046 CD2 LEU A 67 103.975 3.818 -1.207 1.00 0.00 C ATOM 0 H LEU A 67 103.958 4.357 2.490 1.00 0.00 H new ATOM 0 HA LEU A 67 102.455 2.667 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.338 2.393 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.637 1.544 0.290 1.00 0.00 H new ATOM 0 HG LEU A 67 105.045 4.556 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 67 106.669 4.224 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 67 107.143 3.308 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 67 106.386 2.469 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 67 104.274 4.643 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 67 103.916 2.901 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 67 102.999 4.033 -0.772 1.00 0.00 H new ATOM 1058 N ALA A 68 102.719 1.825 3.691 1.00 0.00 N ATOM 1059 CA ALA A 68 102.389 0.783 4.660 1.00 0.00 C ATOM 1060 C ALA A 68 103.514 -0.267 4.695 1.00 0.00 C ATOM 1061 O ALA A 68 104.673 0.091 4.488 1.00 0.00 O ATOM 1062 CB ALA A 68 101.020 0.186 4.301 1.00 0.00 C ATOM 0 H ALA A 68 102.804 2.761 4.086 1.00 0.00 H new ATOM 0 HA ALA A 68 102.314 1.194 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.764 -0.594 5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.263 0.969 4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 68 101.061 -0.242 3.299 1.00 0.00 H new ATOM 1068 N TYR A 69 103.207 -1.547 4.924 1.00 0.00 N ATOM 1069 CA TYR A 69 104.248 -2.566 5.067 1.00 0.00 C ATOM 1070 C TYR A 69 105.169 -2.639 3.843 1.00 0.00 C ATOM 1071 O TYR A 69 106.310 -3.088 3.953 1.00 0.00 O ATOM 1072 CB TYR A 69 103.602 -3.933 5.295 1.00 0.00 C ATOM 1073 CG TYR A 69 102.805 -4.013 6.577 1.00 0.00 C ATOM 1074 CD1 TYR A 69 103.456 -4.263 7.791 1.00 0.00 C ATOM 1075 CD2 TYR A 69 101.416 -3.838 6.550 1.00 0.00 C ATOM 1076 CE1 TYR A 69 102.719 -4.337 8.978 1.00 0.00 C ATOM 1077 CE2 TYR A 69 100.679 -3.913 7.738 1.00 0.00 C ATOM 1078 CZ TYR A 69 101.330 -4.162 8.952 1.00 0.00 C ATOM 1079 OH TYR A 69 100.603 -4.236 10.122 1.00 0.00 O ATOM 0 H TYR A 69 102.254 -1.899 5.014 1.00 0.00 H new ATOM 0 HA TYR A 69 104.860 -2.284 5.924 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.948 -4.162 4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 69 104.380 -4.696 5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.527 -4.399 7.811 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.914 -3.645 5.614 1.00 0.00 H new ATOM 0 HE1 TYR A 69 103.222 -4.529 9.914 1.00 0.00 H new ATOM 0 HE2 TYR A 69 99.608 -3.779 7.718 1.00 0.00 H new ATOM 0 HH TYR A 69 99.654 -4.090 9.927 1.00 0.00 H new ATOM 1089 N LEU A 70 104.680 -2.202 2.685 1.00 0.00 N ATOM 1090 CA LEU A 70 105.481 -2.243 1.460 1.00 0.00 C ATOM 1091 C LEU A 70 106.780 -1.435 1.584 1.00 0.00 C ATOM 1092 O LEU A 70 107.736 -1.683 0.849 1.00 0.00 O ATOM 1093 CB LEU A 70 104.667 -1.715 0.277 1.00 0.00 C ATOM 1094 CG LEU A 70 103.608 -2.746 -0.121 1.00 0.00 C ATOM 1095 CD1 LEU A 70 102.385 -2.610 0.786 1.00 0.00 C ATOM 1096 CD2 LEU A 70 103.191 -2.510 -1.575 1.00 0.00 C ATOM 0 H LEU A 70 103.742 -1.818 2.567 1.00 0.00 H new ATOM 0 HA LEU A 70 105.751 -3.286 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 70 104.189 -0.773 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 70 105.325 -1.511 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 70 104.024 -3.748 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.635 -3.346 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 70 102.680 -2.778 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 70 101.967 -1.608 0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.437 -3.243 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 70 102.778 -1.506 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 70 104.061 -2.612 -2.224 1.00 0.00 H new ATOM 1108 N TRP A 71 106.819 -0.476 2.508 1.00 0.00 N ATOM 1109 CA TRP A 71 107.992 0.373 2.683 1.00 0.00 C ATOM 1110 C TRP A 71 109.239 -0.489 2.935 1.00 0.00 C ATOM 1111 O TRP A 71 109.369 -1.052 4.024 1.00 0.00 O ATOM 1112 CB TRP A 71 107.767 1.285 3.889 1.00 0.00 C ATOM 1113 CG TRP A 71 108.741 2.414 3.972 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.704 2.538 4.913 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.865 3.579 3.103 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.402 3.706 4.684 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.932 4.381 3.577 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.166 4.015 1.966 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.292 5.572 2.941 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.526 5.209 1.324 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.586 5.985 1.807 1.00 0.00 C ATOM 0 H TRP A 71 106.051 -0.269 3.146 1.00 0.00 H new ATOM 0 HA TRP A 71 108.144 0.965 1.780 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.756 1.690 3.844 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.833 0.691 4.801 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.895 1.838 5.713 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.175 4.032 5.265 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.345 3.427 1.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.108 6.168 3.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.981 5.532 0.450 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.858 6.901 1.305 1.00 0.00 H new ATOM 1132 N PRO A 72 110.153 -0.616 1.994 1.00 0.00 N ATOM 1133 CA PRO A 72 111.321 -1.536 2.149 1.00 0.00 C ATOM 1134 C PRO A 72 112.527 -0.905 2.846 1.00 0.00 C ATOM 1135 O PRO A 72 113.466 -1.612 3.209 1.00 0.00 O ATOM 1136 CB PRO A 72 111.665 -1.891 0.705 1.00 0.00 C ATOM 1137 CG PRO A 72 111.346 -0.660 -0.071 1.00 0.00 C ATOM 1138 CD PRO A 72 110.219 0.054 0.678 1.00 0.00 C ATOM 0 HA PRO A 72 111.072 -2.386 2.784 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.716 -2.163 0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 72 111.080 -2.742 0.356 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.223 -0.018 -0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 72 111.037 -0.912 -1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.429 1.118 0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.273 -0.031 0.143 1.00 0.00 H new ATOM 1146 N LEU A 73 112.531 0.418 2.991 1.00 0.00 N ATOM 1147 CA LEU A 73 113.696 1.111 3.541 1.00 0.00 C ATOM 1148 C LEU A 73 113.639 1.187 5.064 1.00 0.00 C ATOM 1149 O LEU A 73 112.568 1.322 5.656 1.00 0.00 O ATOM 1150 CB LEU A 73 113.778 2.532 2.985 1.00 0.00 C ATOM 1151 CG LEU A 73 113.793 2.511 1.455 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.796 3.953 0.949 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.051 1.792 0.957 1.00 0.00 C ATOM 0 H LEU A 73 111.752 1.026 2.739 1.00 0.00 H new ATOM 0 HA LEU A 73 114.577 0.539 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.928 3.116 3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.678 3.022 3.356 1.00 0.00 H new ATOM 0 HG LEU A 73 112.914 1.984 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.807 3.956 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.902 4.465 1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.682 4.468 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.056 1.780 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.936 2.315 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.057 0.768 1.331 1.00 0.00 H new ATOM 1165 N THR A 74 114.810 1.099 5.684 1.00 0.00 N ATOM 1166 CA THR A 74 114.930 1.248 7.129 1.00 0.00 C ATOM 1167 C THR A 74 114.648 2.689 7.549 1.00 0.00 C ATOM 1168 O THR A 74 114.047 2.919 8.599 1.00 0.00 O ATOM 1169 CB THR A 74 116.337 0.850 7.584 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.289 1.721 6.988 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.627 -0.592 7.165 1.00 0.00 C ATOM 0 H THR A 74 115.694 0.924 5.206 1.00 0.00 H new ATOM 0 HA THR A 74 114.197 0.594 7.601 1.00 0.00 H new ATOM 0 HB THR A 74 116.402 0.927 8.669 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.409 1.479 6.046 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.629 -0.871 7.491 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.897 -1.258 7.625 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.562 -0.676 6.080 1.00 0.00 H new ATOM 1179 N VAL A 75 115.078 3.655 6.733 1.00 0.00 N ATOM 1180 CA VAL A 75 114.764 5.052 7.017 1.00 0.00 C ATOM 1181 C VAL A 75 113.263 5.243 6.866 1.00 0.00 C ATOM 1182 O VAL A 75 112.682 4.830 5.866 1.00 0.00 O ATOM 1183 CB VAL A 75 115.519 6.000 6.080 1.00 0.00 C ATOM 1184 CG1 VAL A 75 117.024 5.848 6.304 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.192 5.674 4.621 1.00 0.00 C ATOM 0 H VAL A 75 115.631 3.499 5.890 1.00 0.00 H new ATOM 0 HA VAL A 75 115.077 5.291 8.033 1.00 0.00 H new ATOM 0 HB VAL A 75 115.214 7.024 6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.561 6.523 5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.264 6.093 7.339 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.321 4.820 6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.735 6.355 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.487 4.648 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.121 5.787 4.454 1.00 0.00 H new ATOM 1195 N ASP A 76 112.636 5.851 7.863 1.00 0.00 N ATOM 1196 CA ASP A 76 111.179 5.875 7.921 1.00 0.00 C ATOM 1197 C ASP A 76 110.568 6.597 6.727 1.00 0.00 C ATOM 1198 O ASP A 76 109.469 6.248 6.297 1.00 0.00 O ATOM 1199 CB ASP A 76 110.712 6.534 9.222 1.00 0.00 C ATOM 1200 CG ASP A 76 111.141 5.703 10.429 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.239 4.493 10.297 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.365 6.293 11.474 1.00 0.00 O ATOM 0 H ASP A 76 113.104 6.328 8.633 1.00 0.00 H new ATOM 0 HA ASP A 76 110.838 4.840 7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.130 7.538 9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.627 6.640 9.213 1.00 0.00 H new ATOM 1207 N HIS A 77 111.256 7.612 6.210 1.00 0.00 N ATOM 1208 CA HIS A 77 110.728 8.352 5.070 1.00 0.00 C ATOM 1209 C HIS A 77 111.857 8.853 4.184 1.00 0.00 C ATOM 1210 O HIS A 77 113.032 8.652 4.489 1.00 0.00 O ATOM 1211 CB HIS A 77 109.872 9.526 5.550 1.00 0.00 C ATOM 1212 CG HIS A 77 110.575 10.438 6.518 1.00 0.00 C ATOM 1213 ND1 HIS A 77 111.067 9.991 7.733 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.862 11.781 6.468 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.618 11.044 8.361 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.521 12.161 7.634 1.00 0.00 N ATOM 0 H HIS A 77 112.160 7.935 6.554 1.00 0.00 H new ATOM 0 HA HIS A 77 110.104 7.678 4.483 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.552 10.107 4.685 1.00 0.00 H new ATOM 0 HB3 HIS A 77 108.971 9.136 6.023 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.614 12.441 5.650 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.083 10.993 9.335 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.857 13.092 7.880 1.00 0.00 H new ATOM 1224 N GLY A 78 111.484 9.441 3.056 1.00 0.00 N ATOM 1225 CA GLY A 78 112.446 10.052 2.154 1.00 0.00 C ATOM 1226 C GLY A 78 111.717 10.818 1.058 1.00 0.00 C ATOM 1227 O GLY A 78 110.520 10.626 0.835 1.00 0.00 O ATOM 0 H GLY A 78 110.515 9.507 2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.099 10.726 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.081 9.284 1.712 1.00 0.00 H new ATOM 1231 N THR A 79 112.432 11.713 0.394 1.00 0.00 N ATOM 1232 CA THR A 79 111.850 12.494 -0.691 1.00 0.00 C ATOM 1233 C THR A 79 112.398 12.018 -2.030 1.00 0.00 C ATOM 1234 O THR A 79 113.582 11.716 -2.146 1.00 0.00 O ATOM 1235 CB THR A 79 112.174 13.974 -0.496 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.038 14.307 0.879 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.189 14.806 -1.317 1.00 0.00 C ATOM 0 H THR A 79 113.413 11.918 0.585 1.00 0.00 H new ATOM 0 HA THR A 79 110.768 12.360 -0.683 1.00 0.00 H new ATOM 0 HB THR A 79 113.194 14.178 -0.820 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.247 15.256 1.008 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.410 15.865 -1.186 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.281 14.544 -2.371 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.172 14.603 -0.980 1.00 0.00 H new ATOM 1245 N ILE A 80 111.539 11.949 -3.041 1.00 0.00 N ATOM 1246 CA ILE A 80 111.958 11.498 -4.366 1.00 0.00 C ATOM 1247 C ILE A 80 112.007 12.677 -5.327 1.00 0.00 C ATOM 1248 O ILE A 80 111.096 13.506 -5.347 1.00 0.00 O ATOM 1249 CB ILE A 80 110.998 10.424 -4.891 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.556 10.947 -4.882 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.103 9.187 -3.997 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.626 9.914 -5.520 1.00 0.00 C ATOM 0 H ILE A 80 110.552 12.198 -2.971 1.00 0.00 H new ATOM 0 HA ILE A 80 112.955 11.064 -4.290 1.00 0.00 H new ATOM 0 HB ILE A 80 111.267 10.168 -5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.240 11.151 -3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.498 11.889 -5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.424 8.416 -4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.125 8.809 -4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.835 9.453 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.603 10.291 -5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 80 108.936 9.731 -6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.675 8.983 -4.956 1.00 0.00 H new ATOM 1264 N GLU A 81 113.080 12.758 -6.109 1.00 0.00 N ATOM 1265 CA GLU A 81 113.261 13.893 -7.005 1.00 0.00 C ATOM 1266 C GLU A 81 113.957 13.492 -8.301 1.00 0.00 C ATOM 1267 O GLU A 81 114.847 12.642 -8.315 1.00 0.00 O ATOM 1268 CB GLU A 81 114.081 14.977 -6.300 1.00 0.00 C ATOM 1269 CG GLU A 81 114.121 16.243 -7.166 1.00 0.00 C ATOM 1270 CD GLU A 81 115.007 17.332 -6.549 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.594 17.104 -5.500 1.00 0.00 O ATOM 1272 OE2 GLU A 81 115.084 18.394 -7.143 1.00 0.00 O ATOM 0 H GLU A 81 113.826 12.063 -6.140 1.00 0.00 H new ATOM 0 HA GLU A 81 112.272 14.273 -7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 81 113.642 15.204 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 81 115.094 14.618 -6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 81 114.494 15.992 -8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.109 16.628 -7.293 1.00 0.00 H new ATOM 1279 N CYS A 82 113.517 14.111 -9.390 1.00 0.00 N ATOM 1280 CA CYS A 82 114.210 13.994 -10.667 1.00 0.00 C ATOM 1281 C CYS A 82 115.014 15.267 -10.911 1.00 0.00 C ATOM 1282 O CYS A 82 114.448 16.360 -10.984 1.00 0.00 O ATOM 1283 CB CYS A 82 113.199 13.787 -11.798 1.00 0.00 C ATOM 1284 SG CYS A 82 112.540 12.104 -11.717 1.00 0.00 S ATOM 0 H CYS A 82 112.684 14.699 -9.414 1.00 0.00 H new ATOM 0 HA CYS A 82 114.881 13.135 -10.642 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.389 14.511 -11.713 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.677 13.956 -12.763 1.00 0.00 H new ATOM 1359 N ALA A 88 117.278 9.813 -11.857 1.00 0.00 N ATOM 1360 CA ALA A 88 116.308 9.677 -10.773 1.00 0.00 C ATOM 1361 C ALA A 88 117.000 9.249 -9.482 1.00 0.00 C ATOM 1362 O ALA A 88 117.644 8.199 -9.434 1.00 0.00 O ATOM 1363 CB ALA A 88 115.249 8.642 -11.161 1.00 0.00 C ATOM 0 HA ALA A 88 115.832 10.643 -10.606 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.526 8.541 -10.352 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.737 8.967 -12.067 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.729 7.680 -11.341 1.00 0.00 H new ATOM 1369 N VAL A 89 116.833 10.043 -8.423 1.00 0.00 N ATOM 1370 CA VAL A 89 117.498 9.757 -7.152 1.00 0.00 C ATOM 1371 C VAL A 89 116.535 9.858 -5.968 1.00 0.00 C ATOM 1372 O VAL A 89 115.495 10.515 -6.037 1.00 0.00 O ATOM 1373 CB VAL A 89 118.658 10.731 -6.936 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.695 10.549 -8.045 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.135 12.169 -6.962 1.00 0.00 C ATOM 0 H VAL A 89 116.250 10.880 -8.420 1.00 0.00 H new ATOM 0 HA VAL A 89 117.870 8.734 -7.205 1.00 0.00 H new ATOM 0 HB VAL A 89 119.120 10.530 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.520 11.244 -7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.073 9.527 -8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.232 10.747 -9.012 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.963 12.860 -6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.670 12.370 -7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.399 12.303 -6.170 1.00 0.00 H new ATOM 1385 N PHE A 90 116.923 9.203 -4.879 1.00 0.00 N ATOM 1386 CA PHE A 90 116.154 9.187 -3.638 1.00 0.00 C ATOM 1387 C PHE A 90 116.930 9.907 -2.536 1.00 0.00 C ATOM 1388 O PHE A 90 118.098 9.613 -2.305 1.00 0.00 O ATOM 1389 CB PHE A 90 115.917 7.729 -3.235 1.00 0.00 C ATOM 1390 CG PHE A 90 115.224 7.537 -1.905 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.844 7.747 -1.791 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.964 7.125 -0.791 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.205 7.544 -0.561 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.326 6.924 0.439 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.947 7.132 0.553 1.00 0.00 C ATOM 0 H PHE A 90 117.787 8.663 -4.832 1.00 0.00 H new ATOM 0 HA PHE A 90 115.201 9.696 -3.784 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.322 7.246 -4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.878 7.216 -3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.273 8.065 -2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.028 6.962 -0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.141 7.705 -0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.898 6.609 1.299 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.454 6.975 1.501 1.00 0.00 H new ATOM 1405 N VAL A 91 116.282 10.848 -1.860 1.00 0.00 N ATOM 1406 CA VAL A 91 116.930 11.594 -0.782 1.00 0.00 C ATOM 1407 C VAL A 91 116.362 11.144 0.557 1.00 0.00 C ATOM 1408 O VAL A 91 115.147 11.096 0.731 1.00 0.00 O ATOM 1409 CB VAL A 91 116.679 13.099 -0.964 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.384 13.919 0.129 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.199 13.541 -2.336 1.00 0.00 C ATOM 0 H VAL A 91 115.313 11.114 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 91 118.003 11.404 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 91 115.606 13.275 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.187 14.980 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.007 13.621 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.458 13.739 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.021 14.609 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.268 13.341 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.678 12.989 -3.118 1.00 0.00 H new ATOM 1421 N ALA A 92 117.240 10.838 1.508 1.00 0.00 N ATOM 1422 CA ALA A 92 116.786 10.428 2.839 1.00 0.00 C ATOM 1423 C ALA A 92 116.883 11.593 3.828 1.00 0.00 C ATOM 1424 O ALA A 92 117.684 12.502 3.620 1.00 0.00 O ATOM 1425 CB ALA A 92 117.633 9.258 3.342 1.00 0.00 C ATOM 0 H ALA A 92 118.253 10.864 1.389 1.00 0.00 H new ATOM 0 HA ALA A 92 115.744 10.118 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.289 8.959 4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.536 8.417 2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.678 9.563 3.398 1.00 0.00 H new ATOM 1431 N PRO A 93 116.100 11.601 4.890 1.00 0.00 N ATOM 1432 CA PRO A 93 116.149 12.710 5.892 1.00 0.00 C ATOM 1433 C PRO A 93 117.568 13.052 6.340 1.00 0.00 C ATOM 1434 O PRO A 93 117.847 14.186 6.728 1.00 0.00 O ATOM 1435 CB PRO A 93 115.330 12.193 7.078 1.00 0.00 C ATOM 1436 CG PRO A 93 114.414 11.160 6.522 1.00 0.00 C ATOM 1437 CD PRO A 93 115.069 10.607 5.256 1.00 0.00 C ATOM 0 HA PRO A 93 115.759 13.633 5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 93 115.978 11.768 7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.769 13.001 7.547 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.247 10.364 7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.440 11.593 6.293 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.512 9.628 5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.339 10.484 4.456 1.00 0.00 H new ATOM 1445 N ASP A 94 118.459 12.070 6.284 1.00 0.00 N ATOM 1446 CA ASP A 94 119.833 12.275 6.739 1.00 0.00 C ATOM 1447 C ASP A 94 120.594 13.309 5.894 1.00 0.00 C ATOM 1448 O ASP A 94 121.679 13.740 6.282 1.00 0.00 O ATOM 1449 CB ASP A 94 120.579 10.933 6.730 1.00 0.00 C ATOM 1450 CG ASP A 94 120.488 10.235 5.368 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.054 10.857 4.413 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.866 9.075 5.294 1.00 0.00 O ATOM 0 H ASP A 94 118.261 11.133 5.933 1.00 0.00 H new ATOM 0 HA ASP A 94 119.785 12.674 7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.626 11.099 6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.164 10.282 7.500 1.00 0.00 H new ATOM 1457 N GLY A 95 120.040 13.707 4.748 1.00 0.00 N ATOM 1458 CA GLY A 95 120.727 14.639 3.849 1.00 0.00 C ATOM 1459 C GLY A 95 121.635 13.928 2.833 1.00 0.00 C ATOM 1460 O GLY A 95 122.421 14.577 2.143 1.00 0.00 O ATOM 0 H GLY A 95 119.123 13.402 4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 95 119.986 15.233 3.314 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.325 15.333 4.440 1.00 0.00 H new ATOM 1464 N THR A 96 121.529 12.603 2.742 1.00 0.00 N ATOM 1465 CA THR A 96 122.333 11.818 1.821 1.00 0.00 C ATOM 1466 C THR A 96 121.510 11.501 0.583 1.00 0.00 C ATOM 1467 O THR A 96 120.322 11.195 0.688 1.00 0.00 O ATOM 1468 CB THR A 96 122.750 10.511 2.499 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.430 10.806 3.711 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.670 9.710 1.576 1.00 0.00 C ATOM 0 H THR A 96 120.884 12.049 3.305 1.00 0.00 H new ATOM 0 HA THR A 96 123.221 12.382 1.537 1.00 0.00 H new ATOM 0 HB THR A 96 121.860 9.918 2.712 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.697 9.970 4.148 1.00 0.00 H new ATOM 0 HG21 THR A 96 123.961 8.782 2.068 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.145 9.480 0.649 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.561 10.297 1.352 1.00 0.00 H new ATOM 1478 N THR A 97 122.138 11.578 -0.584 1.00 0.00 N ATOM 1479 CA THR A 97 121.447 11.257 -1.826 1.00 0.00 C ATOM 1480 C THR A 97 121.864 9.873 -2.313 1.00 0.00 C ATOM 1481 O THR A 97 123.050 9.556 -2.402 1.00 0.00 O ATOM 1482 CB THR A 97 121.778 12.300 -2.896 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.483 13.596 -2.395 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.942 12.033 -4.149 1.00 0.00 C ATOM 0 H THR A 97 123.113 11.856 -0.696 1.00 0.00 H new ATOM 0 HA THR A 97 120.373 11.263 -1.641 1.00 0.00 H new ATOM 0 HB THR A 97 122.836 12.239 -3.150 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.695 14.267 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.179 12.777 -4.910 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.168 11.038 -4.532 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.883 12.094 -3.899 1.00 0.00 H new ATOM 1492 N TYR A 98 120.864 9.060 -2.622 1.00 0.00 N ATOM 1493 CA TYR A 98 121.083 7.710 -3.119 1.00 0.00 C ATOM 1494 C TYR A 98 120.534 7.603 -4.538 1.00 0.00 C ATOM 1495 O TYR A 98 119.587 8.301 -4.889 1.00 0.00 O ATOM 1496 CB TYR A 98 120.359 6.709 -2.214 1.00 0.00 C ATOM 1497 CG TYR A 98 120.802 6.739 -0.767 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.887 5.962 -0.346 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.120 7.542 0.157 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.289 5.987 0.997 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.522 7.568 1.498 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.606 6.791 1.920 1.00 0.00 C ATOM 1503 OH TYR A 98 122.004 6.815 3.243 1.00 0.00 O ATOM 0 H TYR A 98 119.881 9.317 -2.535 1.00 0.00 H new ATOM 0 HA TYR A 98 122.150 7.489 -3.121 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.288 6.907 -2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.513 5.704 -2.608 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.415 5.343 -1.056 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.282 8.142 -0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.126 5.386 1.321 1.00 0.00 H new ATOM 0 HE2 TYR A 98 119.995 8.189 2.207 1.00 0.00 H new ATOM 0 HH TYR A 98 121.563 7.559 3.704 1.00 0.00 H new ATOM 1513 N ALA A 99 121.120 6.733 -5.348 1.00 0.00 N ATOM 1514 CA ALA A 99 120.685 6.574 -6.731 1.00 0.00 C ATOM 1515 C ALA A 99 119.551 5.557 -6.827 1.00 0.00 C ATOM 1516 O ALA A 99 119.660 4.444 -6.313 1.00 0.00 O ATOM 1517 CB ALA A 99 121.865 6.112 -7.588 1.00 0.00 C ATOM 0 H ALA A 99 121.895 6.128 -5.075 1.00 0.00 H new ATOM 0 HA ALA A 99 120.320 7.535 -7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.540 5.993 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.661 6.855 -7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.236 5.158 -7.213 1.00 0.00 H new ATOM 1523 N LEU A 100 118.463 5.944 -7.488 1.00 0.00 N ATOM 1524 CA LEU A 100 117.322 5.050 -7.652 1.00 0.00 C ATOM 1525 C LEU A 100 117.492 4.195 -8.899 1.00 0.00 C ATOM 1526 O LEU A 100 117.477 2.967 -8.834 1.00 0.00 O ATOM 1527 CB LEU A 100 116.026 5.851 -7.796 1.00 0.00 C ATOM 1528 CG LEU A 100 115.525 6.315 -6.430 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.548 7.471 -6.638 1.00 0.00 C ATOM 1530 CD2 LEU A 100 114.798 5.158 -5.741 1.00 0.00 C ATOM 0 H LEU A 100 118.348 6.863 -7.915 1.00 0.00 H new ATOM 0 HA LEU A 100 117.270 4.416 -6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.196 6.714 -8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.265 5.238 -8.279 1.00 0.00 H new ATOM 0 HG LEU A 100 116.363 6.638 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.180 7.815 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.057 8.291 -7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.709 7.133 -7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.438 5.484 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 100 113.953 4.844 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.485 4.321 -5.614 1.00 0.00 H new ATOM 1542 N ASN A 101 117.655 4.864 -10.038 1.00 0.00 N ATOM 1543 CA ASN A 101 117.729 4.165 -11.321 1.00 0.00 C ATOM 1544 C ASN A 101 119.161 4.122 -11.846 1.00 0.00 C ATOM 1545 O ASN A 101 120.005 4.938 -11.473 1.00 0.00 O ATOM 1546 CB ASN A 101 116.799 4.834 -12.342 1.00 0.00 C ATOM 1547 CG ASN A 101 117.275 6.240 -12.698 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.314 6.695 -12.223 1.00 0.00 O ATOM 1549 ND2 ASN A 101 116.564 6.966 -13.519 1.00 0.00 N ATOM 0 H ASN A 101 117.738 5.879 -10.101 1.00 0.00 H new ATOM 0 HA ASN A 101 117.402 3.137 -11.167 1.00 0.00 H new ATOM 0 HB2 ASN A 101 116.751 4.226 -13.245 1.00 0.00 H new ATOM 0 HB3 ASN A 101 115.788 4.883 -11.937 1.00 0.00 H new ATOM 0 HD21 ASN A 101 116.871 7.907 -13.764 1.00 0.00 H new ATOM 0 HD22 ASN A 101 115.702 6.592 -13.915 1.00 0.00 H new ATOM 1556 N ASP A 102 119.420 3.173 -12.746 1.00 0.00 N ATOM 1557 CA ASP A 102 120.772 2.926 -13.253 1.00 0.00 C ATOM 1558 C ASP A 102 121.476 4.218 -13.666 1.00 0.00 C ATOM 1559 O ASP A 102 122.683 4.365 -13.487 1.00 0.00 O ATOM 1560 CB ASP A 102 120.704 1.983 -14.457 1.00 0.00 C ATOM 1561 CG ASP A 102 122.105 1.532 -14.864 1.00 0.00 C ATOM 1562 OD1 ASP A 102 122.955 1.427 -13.994 1.00 0.00 O ATOM 1563 OD2 ASP A 102 122.306 1.292 -16.042 1.00 0.00 O ATOM 0 H ASP A 102 118.708 2.559 -13.141 1.00 0.00 H new ATOM 0 HA ASP A 102 121.348 2.474 -12.445 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.093 1.114 -14.212 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.220 2.487 -15.294 1.00 0.00 H new ATOM 1568 N ARG A 103 120.710 5.157 -14.204 1.00 0.00 N ATOM 1569 CA ARG A 103 121.273 6.420 -14.661 1.00 0.00 C ATOM 1570 C ARG A 103 121.909 7.181 -13.499 1.00 0.00 C ATOM 1571 O ARG A 103 123.019 7.698 -13.609 1.00 0.00 O ATOM 1572 CB ARG A 103 120.154 7.241 -15.300 1.00 0.00 C ATOM 1573 CG ARG A 103 119.661 6.506 -16.549 1.00 0.00 C ATOM 1574 CD ARG A 103 118.453 7.237 -17.130 1.00 0.00 C ATOM 1575 NE ARG A 103 118.849 8.567 -17.587 1.00 0.00 N ATOM 1576 CZ ARG A 103 119.460 8.804 -18.753 1.00 0.00 C ATOM 1577 NH1 ARG A 103 119.714 7.855 -19.620 1.00 0.00 N ATOM 1578 NH2 ARG A 103 119.804 10.032 -19.019 1.00 0.00 N ATOM 0 H ARG A 103 119.702 5.069 -14.334 1.00 0.00 H new ATOM 0 HA ARG A 103 122.058 6.232 -15.394 1.00 0.00 H new ATOM 0 HB2 ARG A 103 119.335 7.378 -14.594 1.00 0.00 H new ATOM 0 HB3 ARG A 103 120.517 8.234 -15.564 1.00 0.00 H new ATOM 0 HG2 ARG A 103 120.458 6.453 -17.291 1.00 0.00 H new ATOM 0 HG3 ARG A 103 119.392 5.480 -16.297 1.00 0.00 H new ATOM 0 HD2 ARG A 103 118.037 6.667 -17.960 1.00 0.00 H new ATOM 0 HD3 ARG A 103 117.670 7.320 -16.376 1.00 0.00 H new ATOM 0 HE ARG A 103 118.648 9.362 -16.981 1.00 0.00 H new ATOM 0 HH11 ARG A 103 119.444 6.893 -19.417 1.00 0.00 H new ATOM 0 HH12 ARG A 103 120.182 8.078 -20.498 1.00 0.00 H new ATOM 0 HH21 ARG A 103 119.605 10.774 -18.348 1.00 0.00 H new ATOM 0 HH22 ARG A 103 120.272 10.251 -19.898 1.00 0.00 H new ATOM 1592 N ALA A 104 121.211 7.226 -12.371 1.00 0.00 N ATOM 1593 CA ALA A 104 121.749 7.862 -11.172 1.00 0.00 C ATOM 1594 C ALA A 104 123.072 7.220 -10.745 1.00 0.00 C ATOM 1595 O ALA A 104 123.972 7.915 -10.263 1.00 0.00 O ATOM 1596 CB ALA A 104 120.730 7.770 -10.035 1.00 0.00 C ATOM 0 H ALA A 104 120.277 6.833 -12.260 1.00 0.00 H new ATOM 0 HA ALA A 104 121.944 8.909 -11.402 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.137 8.246 -9.143 1.00 0.00 H new ATOM 0 HB2 ALA A 104 119.810 8.276 -10.329 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.516 6.723 -9.822 1.00 0.00 H new ATOM 1602 N GLU A 105 123.188 5.898 -10.892 1.00 0.00 N ATOM 1603 CA GLU A 105 124.470 5.240 -10.623 1.00 0.00 C ATOM 1604 C GLU A 105 125.543 5.713 -11.598 1.00 0.00 C ATOM 1605 O GLU A 105 126.687 5.934 -11.206 1.00 0.00 O ATOM 1606 CB GLU A 105 124.374 3.709 -10.673 1.00 0.00 C ATOM 1607 CG GLU A 105 123.766 3.169 -9.372 1.00 0.00 C ATOM 1608 CD GLU A 105 122.250 3.331 -9.345 1.00 0.00 C ATOM 1609 OE1 GLU A 105 121.659 3.404 -10.407 1.00 0.00 O ATOM 1610 OE2 GLU A 105 121.700 3.368 -8.257 1.00 0.00 O ATOM 0 H GLU A 105 122.435 5.277 -11.187 1.00 0.00 H new ATOM 0 HA GLU A 105 124.747 5.523 -9.608 1.00 0.00 H new ATOM 0 HB2 GLU A 105 123.762 3.404 -11.522 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.365 3.281 -10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 105 124.021 2.115 -9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 105 124.203 3.693 -8.522 1.00 0.00 H new ATOM 1617 N LYS A 106 125.172 5.899 -12.862 1.00 0.00 N ATOM 1618 CA LYS A 106 126.111 6.429 -13.852 1.00 0.00 C ATOM 1619 C LYS A 106 126.640 7.804 -13.428 1.00 0.00 C ATOM 1620 O LYS A 106 127.793 8.144 -13.698 1.00 0.00 O ATOM 1621 CB LYS A 106 125.430 6.540 -15.217 1.00 0.00 C ATOM 1622 CG LYS A 106 126.462 6.938 -16.275 1.00 0.00 C ATOM 1623 CD LYS A 106 125.762 7.130 -17.622 1.00 0.00 C ATOM 1624 CE LYS A 106 126.807 7.373 -18.713 1.00 0.00 C ATOM 1625 NZ LYS A 106 126.140 7.390 -20.045 1.00 0.00 N ATOM 0 H LYS A 106 124.241 5.694 -13.224 1.00 0.00 H new ATOM 0 HA LYS A 106 126.953 5.740 -13.921 1.00 0.00 H new ATOM 0 HB2 LYS A 106 124.970 5.589 -15.483 1.00 0.00 H new ATOM 0 HB3 LYS A 106 124.631 7.281 -15.177 1.00 0.00 H new ATOM 0 HG2 LYS A 106 126.965 7.859 -15.980 1.00 0.00 H new ATOM 0 HG3 LYS A 106 127.229 6.168 -16.358 1.00 0.00 H new ATOM 0 HD2 LYS A 106 125.168 6.249 -17.863 1.00 0.00 H new ATOM 0 HD3 LYS A 106 125.074 7.974 -17.569 1.00 0.00 H new ATOM 0 HE2 LYS A 106 127.317 8.320 -18.538 1.00 0.00 H new ATOM 0 HE3 LYS A 106 127.566 6.592 -18.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 126.850 7.555 -20.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 125.672 6.476 -20.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 125.431 8.151 -20.069 1.00 0.00 H new ATOM 1639 N ALA A 107 125.792 8.587 -12.765 1.00 0.00 N ATOM 1640 CA ALA A 107 126.187 9.903 -12.255 1.00 0.00 C ATOM 1641 C ALA A 107 127.120 9.821 -11.035 1.00 0.00 C ATOM 1642 O ALA A 107 127.519 10.853 -10.497 1.00 0.00 O ATOM 1643 CB ALA A 107 124.936 10.698 -11.874 1.00 0.00 C ATOM 0 H ALA A 107 124.824 8.334 -12.567 1.00 0.00 H new ATOM 0 HA ALA A 107 126.739 10.399 -13.053 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.229 11.677 -11.495 1.00 0.00 H new ATOM 0 HB2 ALA A 107 124.303 10.824 -12.753 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.384 10.160 -11.103 1.00 0.00 H new ATOM 1649 N GLY A 108 127.468 8.611 -10.601 1.00 0.00 N ATOM 1650 CA GLY A 108 128.389 8.435 -9.484 1.00 0.00 C ATOM 1651 C GLY A 108 127.731 8.637 -8.120 1.00 0.00 C ATOM 1652 O GLY A 108 128.419 8.951 -7.147 1.00 0.00 O ATOM 0 H GLY A 108 127.126 7.740 -11.007 1.00 0.00 H new ATOM 0 HA2 GLY A 108 128.816 7.433 -9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.215 9.139 -9.589 1.00 0.00 H new ATOM 1656 N HIS A 109 126.410 8.466 -8.040 1.00 0.00 N ATOM 1657 CA HIS A 109 125.731 8.517 -6.749 1.00 0.00 C ATOM 1658 C HIS A 109 125.674 7.111 -6.140 1.00 0.00 C ATOM 1659 O HIS A 109 125.500 6.144 -6.883 1.00 0.00 O ATOM 1660 CB HIS A 109 124.313 9.062 -6.925 1.00 0.00 C ATOM 1661 CG HIS A 109 124.268 10.542 -7.187 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.902 11.459 -6.364 1.00 0.00 N ATOM 1663 CD2 HIS A 109 123.670 11.281 -8.179 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.673 12.684 -6.868 1.00 0.00 C ATOM 1665 NE2 HIS A 109 123.926 12.634 -7.975 1.00 0.00 N ATOM 0 H HIS A 109 125.800 8.294 -8.840 1.00 0.00 H new ATOM 0 HA HIS A 109 126.284 9.177 -6.081 1.00 0.00 H new ATOM 0 HB2 HIS A 109 123.831 8.540 -7.752 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.734 8.842 -6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 109 123.089 10.874 -8.994 1.00 0.00 H new ATOM 0 HE1 HIS A 109 125.047 13.598 -6.431 1.00 0.00 H new ATOM 0 HE2 HIS A 109 123.611 13.418 -8.547 1.00 0.00 H new ATOM 1673 N PRO A 110 125.810 6.958 -4.837 1.00 0.00 N ATOM 1674 CA PRO A 110 125.780 5.601 -4.207 1.00 0.00 C ATOM 1675 C PRO A 110 124.358 5.037 -4.171 1.00 0.00 C ATOM 1676 O PRO A 110 123.411 5.809 -4.052 1.00 0.00 O ATOM 1677 CB PRO A 110 126.312 5.836 -2.793 1.00 0.00 C ATOM 1678 CG PRO A 110 125.974 7.253 -2.479 1.00 0.00 C ATOM 1679 CD PRO A 110 125.968 8.008 -3.809 1.00 0.00 C ATOM 0 HA PRO A 110 126.371 4.873 -4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.850 5.154 -2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.388 5.668 -2.744 1.00 0.00 H new ATOM 0 HG2 PRO A 110 125.001 7.320 -1.991 1.00 0.00 H new ATOM 0 HG3 PRO A 110 126.705 7.682 -1.793 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.152 8.729 -3.851 1.00 0.00 H new ATOM 0 HD3 PRO A 110 126.894 8.566 -3.952 1.00 0.00 H new ATOM 1687 N PRO A 111 124.172 3.736 -4.268 1.00 0.00 N ATOM 1688 CA PRO A 111 122.798 3.148 -4.322 1.00 0.00 C ATOM 1689 C PRO A 111 122.115 3.104 -2.956 1.00 0.00 C ATOM 1690 O PRO A 111 122.775 3.150 -1.918 1.00 0.00 O ATOM 1691 CB PRO A 111 123.020 1.739 -4.875 1.00 0.00 C ATOM 1692 CG PRO A 111 124.418 1.375 -4.504 1.00 0.00 C ATOM 1693 CD PRO A 111 125.201 2.678 -4.331 1.00 0.00 C ATOM 0 HA PRO A 111 122.130 3.751 -4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.306 1.034 -4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 111 122.884 1.717 -5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.431 0.794 -3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 111 124.871 0.755 -5.278 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.804 2.659 -3.423 1.00 0.00 H new ATOM 0 HD3 PRO A 111 125.885 2.841 -5.164 1.00 0.00 H new ATOM 1701 N ILE A 112 120.785 3.017 -2.968 1.00 0.00 N ATOM 1702 CA ILE A 112 120.008 2.962 -1.727 1.00 0.00 C ATOM 1703 C ILE A 112 120.360 1.733 -0.870 1.00 0.00 C ATOM 1704 O ILE A 112 119.989 1.693 0.300 1.00 0.00 O ATOM 1705 CB ILE A 112 118.499 2.984 -2.049 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.171 4.281 -2.795 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.664 2.935 -0.758 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.731 4.257 -3.317 1.00 0.00 C ATOM 0 H ILE A 112 120.224 2.983 -3.819 1.00 0.00 H new ATOM 0 HA ILE A 112 120.266 3.843 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 112 118.259 2.113 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.308 5.133 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.863 4.412 -3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.604 2.952 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.893 2.020 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.903 3.798 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.519 5.188 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.606 3.417 -4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.042 4.149 -2.479 1.00 0.00 H new ATOM 1720 N THR A 113 121.108 0.766 -1.413 1.00 0.00 N ATOM 1721 CA THR A 113 121.347 -0.501 -0.720 1.00 0.00 C ATOM 1722 C THR A 113 121.682 -0.387 0.779 1.00 0.00 C ATOM 1723 O THR A 113 121.150 -1.199 1.540 1.00 0.00 O ATOM 1724 CB THR A 113 122.382 -1.361 -1.473 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.223 -2.716 -1.077 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.829 -0.936 -1.198 1.00 0.00 C ATOM 0 H THR A 113 121.556 0.838 -2.327 1.00 0.00 H new ATOM 0 HA THR A 113 120.383 -1.009 -0.735 1.00 0.00 H new ATOM 0 HB THR A 113 122.201 -1.227 -2.539 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.875 -3.274 -1.550 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.509 -1.579 -1.756 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.970 0.099 -1.510 1.00 0.00 H new ATOM 0 HG23 THR A 113 124.038 -1.025 -0.132 1.00 0.00 H new ATOM 1734 N PRO A 114 122.468 0.566 1.260 1.00 0.00 N ATOM 1735 CA PRO A 114 122.864 0.575 2.708 1.00 0.00 C ATOM 1736 C PRO A 114 121.656 0.653 3.643 1.00 0.00 C ATOM 1737 O PRO A 114 121.683 0.110 4.748 1.00 0.00 O ATOM 1738 CB PRO A 114 123.765 1.805 2.868 1.00 0.00 C ATOM 1739 CG PRO A 114 124.186 2.168 1.486 1.00 0.00 C ATOM 1740 CD PRO A 114 123.027 1.755 0.585 1.00 0.00 C ATOM 0 HA PRO A 114 123.373 -0.350 2.980 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.229 2.626 3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.628 1.581 3.496 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.385 3.237 1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.104 1.651 1.207 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.287 2.550 0.495 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.367 1.520 -0.424 1.00 0.00 H new ATOM 1748 N ILE A 115 120.600 1.329 3.199 1.00 0.00 N ATOM 1749 CA ILE A 115 119.379 1.455 4.002 1.00 0.00 C ATOM 1750 C ILE A 115 118.283 0.460 3.599 1.00 0.00 C ATOM 1751 O ILE A 115 117.180 0.529 4.132 1.00 0.00 O ATOM 1752 CB ILE A 115 118.811 2.881 3.921 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.671 3.328 2.457 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.728 3.849 4.672 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.887 4.644 2.362 1.00 0.00 C ATOM 0 H ILE A 115 120.561 1.797 2.293 1.00 0.00 H new ATOM 0 HA ILE A 115 119.677 1.226 5.025 1.00 0.00 H new ATOM 0 HB ILE A 115 117.823 2.886 4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.659 3.455 2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.162 2.554 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.320 4.858 4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.797 3.548 5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.721 3.831 4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.800 4.941 1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.891 4.506 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.412 5.421 2.918 1.00 0.00 H new ATOM 1767 N ARG A 116 118.566 -0.457 2.674 1.00 0.00 N ATOM 1768 CA ARG A 116 117.558 -1.408 2.215 1.00 0.00 C ATOM 1769 C ARG A 116 117.396 -2.550 3.215 1.00 0.00 C ATOM 1770 O ARG A 116 118.380 -3.095 3.715 1.00 0.00 O ATOM 1771 CB ARG A 116 117.976 -1.963 0.851 1.00 0.00 C ATOM 1772 CG ARG A 116 116.845 -2.807 0.261 1.00 0.00 C ATOM 1773 CD ARG A 116 117.220 -3.232 -1.160 1.00 0.00 C ATOM 1774 NE ARG A 116 118.334 -4.185 -1.130 1.00 0.00 N ATOM 1775 CZ ARG A 116 118.819 -4.791 -2.224 1.00 0.00 C ATOM 1776 NH1 ARG A 116 118.328 -4.574 -3.421 1.00 0.00 N ATOM 1777 NH2 ARG A 116 119.815 -5.624 -2.093 1.00 0.00 N ATOM 0 H ARG A 116 119.479 -0.560 2.231 1.00 0.00 H new ATOM 0 HA ARG A 116 116.600 -0.895 2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.220 -1.144 0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.876 -2.569 0.956 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.670 -3.686 0.882 1.00 0.00 H new ATOM 0 HG3 ARG A 116 115.917 -2.235 0.249 1.00 0.00 H new ATOM 0 HD2 ARG A 116 116.358 -3.685 -1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 116 117.497 -2.357 -1.747 1.00 0.00 H new ATOM 0 HE ARG A 116 118.763 -4.398 -0.229 1.00 0.00 H new ATOM 0 HH11 ARG A 116 117.550 -3.925 -3.543 1.00 0.00 H new ATOM 0 HH12 ARG A 116 118.724 -5.054 -4.229 1.00 0.00 H new ATOM 0 HH21 ARG A 116 120.211 -5.805 -1.170 1.00 0.00 H new ATOM 0 HH22 ARG A 116 120.198 -6.095 -2.913 1.00 0.00 H new ATOM 1791 N ALA A 117 116.147 -2.909 3.500 1.00 0.00 N ATOM 1792 CA ALA A 117 115.853 -3.952 4.476 1.00 0.00 C ATOM 1793 C ALA A 117 116.063 -5.345 3.892 1.00 0.00 C ATOM 1794 O ALA A 117 115.869 -5.569 2.697 1.00 0.00 O ATOM 1795 CB ALA A 117 114.401 -3.826 4.935 1.00 0.00 C ATOM 0 H ALA A 117 115.322 -2.492 3.068 1.00 0.00 H new ATOM 0 HA ALA A 117 116.536 -3.823 5.316 1.00 0.00 H new ATOM 0 HB1 ALA A 117 114.181 -4.605 5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.247 -2.848 5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.737 -3.934 4.077 1.00 0.00 H new ATOM 1883 N ILE A 125 114.679 -6.903 0.069 1.00 0.00 N ATOM 1884 CA ILE A 125 113.353 -6.459 -0.345 1.00 0.00 C ATOM 1885 C ILE A 125 113.461 -5.479 -1.512 1.00 0.00 C ATOM 1886 O ILE A 125 114.219 -4.511 -1.462 1.00 0.00 O ATOM 1887 CB ILE A 125 112.643 -5.826 0.860 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.489 -6.883 1.961 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.252 -5.321 0.464 1.00 0.00 C ATOM 1890 CD1 ILE A 125 112.126 -6.220 3.292 1.00 0.00 C ATOM 0 HA ILE A 125 112.766 -7.310 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 125 113.238 -4.985 1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.716 -7.598 1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.418 -7.443 2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.766 -4.876 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.347 -4.572 -0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.652 -6.155 0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 125 112.020 -6.984 4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.914 -5.523 3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 125 111.185 -5.680 3.185 1.00 0.00 H new ATOM 1902 N SER A 126 112.685 -5.744 -2.560 1.00 0.00 N ATOM 1903 CA SER A 126 112.761 -4.965 -3.792 1.00 0.00 C ATOM 1904 C SER A 126 112.382 -3.506 -3.571 1.00 0.00 C ATOM 1905 O SER A 126 111.448 -3.192 -2.832 1.00 0.00 O ATOM 1906 CB SER A 126 111.828 -5.571 -4.840 1.00 0.00 C ATOM 1907 OG SER A 126 112.206 -6.922 -5.076 1.00 0.00 O ATOM 0 H SER A 126 111.995 -6.495 -2.580 1.00 0.00 H new ATOM 0 HA SER A 126 113.795 -4.996 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.795 -5.525 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A 126 111.881 -4.999 -5.766 1.00 0.00 H new ATOM 0 HG SER A 126 111.610 -7.316 -5.746 1.00 0.00 H new ATOM 1913 N LEU A 127 113.127 -2.624 -4.227 1.00 0.00 N ATOM 1914 CA LEU A 127 112.784 -1.201 -4.264 1.00 0.00 C ATOM 1915 C LEU A 127 111.953 -0.839 -5.508 1.00 0.00 C ATOM 1916 O LEU A 127 111.734 0.340 -5.782 1.00 0.00 O ATOM 1917 CB LEU A 127 114.062 -0.355 -4.269 1.00 0.00 C ATOM 1918 CG LEU A 127 114.952 -0.712 -3.074 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.248 0.097 -3.147 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.226 -0.376 -1.770 1.00 0.00 C ATOM 0 H LEU A 127 113.974 -2.866 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 127 112.187 -0.992 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.609 -0.518 -5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.804 0.703 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 127 115.178 -1.778 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.883 -0.155 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.772 -0.138 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.014 1.161 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.863 -0.632 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 127 113.998 0.690 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.299 -0.946 -1.712 1.00 0.00 H new ATOM 1932 N GLY A 128 111.491 -1.836 -6.267 1.00 0.00 N ATOM 1933 CA GLY A 128 110.818 -1.583 -7.539 1.00 0.00 C ATOM 1934 C GLY A 128 109.726 -0.520 -7.433 1.00 0.00 C ATOM 1935 O GLY A 128 109.654 0.375 -8.273 1.00 0.00 O ATOM 0 H GLY A 128 111.571 -2.823 -6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.555 -1.267 -8.278 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.379 -2.512 -7.903 1.00 0.00 H new ATOM 1939 N ALA A 129 108.893 -0.602 -6.400 1.00 0.00 N ATOM 1940 CA ALA A 129 107.771 0.326 -6.271 1.00 0.00 C ATOM 1941 C ALA A 129 108.265 1.768 -6.216 1.00 0.00 C ATOM 1942 O ALA A 129 107.797 2.628 -6.967 1.00 0.00 O ATOM 1943 CB ALA A 129 106.974 0.009 -5.004 1.00 0.00 C ATOM 0 H ALA A 129 108.970 -1.289 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 129 107.129 0.210 -7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.140 0.705 -4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.592 -1.010 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.622 0.106 -4.133 1.00 0.00 H new ATOM 1949 N LEU A 130 109.235 2.024 -5.347 1.00 0.00 N ATOM 1950 CA LEU A 130 109.771 3.371 -5.196 1.00 0.00 C ATOM 1951 C LEU A 130 110.340 3.871 -6.521 1.00 0.00 C ATOM 1952 O LEU A 130 110.127 5.020 -6.909 1.00 0.00 O ATOM 1953 CB LEU A 130 110.866 3.360 -4.127 1.00 0.00 C ATOM 1954 CG LEU A 130 111.376 4.780 -3.880 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.297 5.596 -3.169 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.630 4.719 -3.001 1.00 0.00 C ATOM 0 H LEU A 130 109.663 1.324 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 130 108.969 4.043 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.476 2.940 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.689 2.720 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 130 111.616 5.252 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.662 6.608 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.402 5.636 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.056 5.127 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 130 112.998 5.729 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.385 4.248 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.400 4.136 -3.506 1.00 0.00 H new ATOM 1968 N LEU A 131 111.039 2.991 -7.229 1.00 0.00 N ATOM 1969 CA LEU A 131 111.658 3.366 -8.493 1.00 0.00 C ATOM 1970 C LEU A 131 110.603 3.826 -9.492 1.00 0.00 C ATOM 1971 O LEU A 131 110.776 4.843 -10.160 1.00 0.00 O ATOM 1972 CB LEU A 131 112.423 2.168 -9.061 1.00 0.00 C ATOM 1973 CG LEU A 131 113.190 2.577 -10.322 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.415 3.407 -9.932 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.639 1.317 -11.067 1.00 0.00 C ATOM 0 H LEU A 131 111.190 2.021 -6.952 1.00 0.00 H new ATOM 0 HA LEU A 131 112.348 4.191 -8.316 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.117 1.783 -8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.728 1.362 -9.295 1.00 0.00 H new ATOM 0 HG LEU A 131 112.544 3.173 -10.966 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.959 3.697 -10.831 1.00 0.00 H new ATOM 0 HD12 LEU A 131 114.094 4.301 -9.398 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.066 2.815 -9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.186 1.601 -11.966 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.286 0.724 -10.421 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.765 0.728 -11.345 1.00 0.00 H new ATOM 1987 N SER A 132 109.497 3.094 -9.566 1.00 0.00 N ATOM 1988 CA SER A 132 108.454 3.412 -10.532 1.00 0.00 C ATOM 1989 C SER A 132 107.913 4.816 -10.294 1.00 0.00 C ATOM 1990 O SER A 132 107.753 5.595 -11.235 1.00 0.00 O ATOM 1991 CB SER A 132 107.315 2.398 -10.427 1.00 0.00 C ATOM 1992 OG SER A 132 107.844 1.087 -10.575 1.00 0.00 O ATOM 0 H SER A 132 109.301 2.286 -8.976 1.00 0.00 H new ATOM 0 HA SER A 132 108.887 3.367 -11.531 1.00 0.00 H new ATOM 0 HB2 SER A 132 106.813 2.494 -9.464 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.568 2.591 -11.197 1.00 0.00 H new ATOM 0 HG SER A 132 108.296 0.821 -9.747 1.00 0.00 H new ATOM 1998 N THR A 133 107.670 5.152 -9.030 1.00 0.00 N ATOM 1999 CA THR A 133 107.109 6.459 -8.706 1.00 0.00 C ATOM 2000 C THR A 133 108.042 7.572 -9.174 1.00 0.00 C ATOM 2001 O THR A 133 107.615 8.524 -9.830 1.00 0.00 O ATOM 2002 CB THR A 133 106.886 6.573 -7.197 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.099 5.477 -6.752 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.162 7.883 -6.882 1.00 0.00 C ATOM 0 H THR A 133 107.849 4.549 -8.227 1.00 0.00 H new ATOM 0 HA THR A 133 106.154 6.562 -9.220 1.00 0.00 H new ATOM 0 HB THR A 133 107.849 6.561 -6.686 1.00 0.00 H new ATOM 0 HG1 THR A 133 105.957 5.548 -5.785 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.004 7.962 -5.806 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.766 8.724 -7.223 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.199 7.898 -7.392 1.00 0.00 H new ATOM 2012 N THR A 134 109.327 7.427 -8.868 1.00 0.00 N ATOM 2013 CA THR A 134 110.293 8.462 -9.213 1.00 0.00 C ATOM 2014 C THR A 134 110.391 8.636 -10.727 1.00 0.00 C ATOM 2015 O THR A 134 110.468 9.758 -11.225 1.00 0.00 O ATOM 2016 CB THR A 134 111.661 8.119 -8.626 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.506 7.805 -7.250 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.594 9.322 -8.771 1.00 0.00 C ATOM 0 H THR A 134 109.719 6.616 -8.389 1.00 0.00 H new ATOM 0 HA THR A 134 109.952 9.406 -8.787 1.00 0.00 H new ATOM 0 HB THR A 134 112.087 7.266 -9.155 1.00 0.00 H new ATOM 0 HG1 THR A 134 111.221 6.872 -7.157 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.570 9.078 -8.352 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.704 9.572 -9.826 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.174 10.175 -8.238 1.00 0.00 H new ATOM 2026 N LEU A 135 110.368 7.527 -11.461 1.00 0.00 N ATOM 2027 CA LEU A 135 110.445 7.588 -12.918 1.00 0.00 C ATOM 2028 C LEU A 135 109.271 8.374 -13.494 1.00 0.00 C ATOM 2029 O LEU A 135 109.433 9.119 -14.462 1.00 0.00 O ATOM 2030 CB LEU A 135 110.459 6.176 -13.506 1.00 0.00 C ATOM 2031 CG LEU A 135 111.751 5.461 -13.107 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.655 3.982 -13.486 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.933 6.094 -13.844 1.00 0.00 C ATOM 0 H LEU A 135 110.297 6.585 -11.077 1.00 0.00 H new ATOM 0 HA LEU A 135 111.370 8.099 -13.186 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.596 5.614 -13.148 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.380 6.224 -14.592 1.00 0.00 H new ATOM 0 HG LEU A 135 111.898 5.554 -12.031 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.576 3.473 -13.201 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.813 3.527 -12.965 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.508 3.891 -14.562 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.854 5.585 -13.560 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.784 6.000 -14.920 1.00 0.00 H new ATOM 0 HD23 LEU A 135 113.005 7.149 -13.578 1.00 0.00 H new ATOM 2045 N ASN A 136 108.090 8.203 -12.906 1.00 0.00 N ATOM 2046 CA ASN A 136 106.912 8.929 -13.369 1.00 0.00 C ATOM 2047 C ASN A 136 107.153 10.433 -13.288 1.00 0.00 C ATOM 2048 O ASN A 136 106.794 11.180 -14.199 1.00 0.00 O ATOM 2049 CB ASN A 136 105.699 8.556 -12.514 1.00 0.00 C ATOM 2050 CG ASN A 136 105.361 7.078 -12.689 1.00 0.00 C ATOM 2051 OD1 ASN A 136 105.722 6.469 -13.697 1.00 0.00 O ATOM 2052 ND2 ASN A 136 104.683 6.460 -11.760 1.00 0.00 N ATOM 0 H ASN A 136 107.924 7.577 -12.118 1.00 0.00 H new ATOM 0 HA ASN A 136 106.719 8.656 -14.406 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.907 8.767 -11.465 1.00 0.00 H new ATOM 0 HB3 ASN A 136 104.843 9.168 -12.799 1.00 0.00 H new ATOM 0 HD21 ASN A 136 104.452 5.472 -11.869 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.384 6.965 -10.925 1.00 0.00 H new ATOM 2059 N LEU A 137 107.761 10.869 -12.189 1.00 0.00 N ATOM 2060 CA LEU A 137 108.090 12.283 -12.023 1.00 0.00 C ATOM 2061 C LEU A 137 109.096 12.741 -13.078 1.00 0.00 C ATOM 2062 O LEU A 137 109.002 13.854 -13.593 1.00 0.00 O ATOM 2063 CB LEU A 137 108.667 12.529 -10.626 1.00 0.00 C ATOM 2064 CG LEU A 137 107.659 12.097 -9.558 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.290 12.261 -8.174 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.404 12.969 -9.644 1.00 0.00 C ATOM 0 H LEU A 137 108.034 10.273 -11.408 1.00 0.00 H new ATOM 0 HA LEU A 137 107.172 12.858 -12.146 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.597 11.974 -10.505 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.908 13.585 -10.504 1.00 0.00 H new ATOM 0 HG LEU A 137 107.386 11.055 -9.722 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.576 11.955 -7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.183 11.640 -8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.561 13.305 -8.019 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.691 12.656 -8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.674 14.013 -9.482 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.952 12.860 -10.630 1.00 0.00 H new ATOM 2078 N CYS A 138 110.055 11.878 -13.395 1.00 0.00 N ATOM 2079 CA CYS A 138 111.037 12.185 -14.434 1.00 0.00 C ATOM 2080 C CYS A 138 110.373 12.429 -15.795 1.00 0.00 C ATOM 2081 O CYS A 138 110.937 13.125 -16.640 1.00 0.00 O ATOM 2082 CB CYS A 138 112.037 11.031 -14.557 1.00 0.00 C ATOM 2083 SG CYS A 138 113.357 11.177 -13.320 1.00 0.00 S ATOM 0 H CYS A 138 110.175 10.967 -12.953 1.00 0.00 H new ATOM 0 HA CYS A 138 111.551 13.100 -14.141 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.518 10.081 -14.430 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.470 11.026 -15.557 1.00 0.00 H new ATOM 2088 N GLY A 139 109.186 11.863 -16.012 1.00 0.00 N ATOM 2089 CA GLY A 139 108.477 12.054 -17.276 1.00 0.00 C ATOM 2090 C GLY A 139 108.743 10.926 -18.279 1.00 0.00 C ATOM 2091 O GLY A 139 108.587 11.122 -19.485 1.00 0.00 O ATOM 0 H GLY A 139 108.699 11.274 -15.336 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.406 12.117 -17.082 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.777 13.005 -17.716 1.00 0.00 H new