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 -61:sc= 1.07 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.859 K(o=1.9,f=-3.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.873 K(o=-0.87,f=-2.5!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -75:sc= 0.307 USER MOD Single : A 77 HIS : no HD1:sc= -2 K(o=-2,f=-4.5!) 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 -14:sc= 0.0286 USER MOD Single : A 101 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.4!) USER MOD Single : A 106 LYS NZ :NH3+ 162:sc= -0.206 (180deg=-0.361) USER MOD Single : A 109 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.33) 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 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot -30:sc= -0.834 USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 108.862 16.503 -8.368 1.00 0.00 N ATOM 920 CA LYS A 59 109.203 16.086 -7.007 1.00 0.00 C ATOM 921 C LYS A 59 107.978 15.617 -6.221 1.00 0.00 C ATOM 922 O LYS A 59 106.862 16.084 -6.450 1.00 0.00 O ATOM 923 CB LYS A 59 109.851 17.250 -6.249 1.00 0.00 C ATOM 924 CG LYS A 59 111.163 17.658 -6.925 1.00 0.00 C ATOM 925 CD LYS A 59 111.860 18.724 -6.078 1.00 0.00 C ATOM 926 CE LYS A 59 113.107 19.226 -6.809 1.00 0.00 C ATOM 927 NZ LYS A 59 113.443 20.596 -6.334 1.00 0.00 N ATOM 0 HA LYS A 59 109.896 15.250 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 59 109.169 18.100 -6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 59 110.041 16.959 -5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 59 111.811 16.789 -7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 59 110.965 18.044 -7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.179 19.554 -5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 59 112.137 18.309 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 59 113.944 18.551 -6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.932 19.235 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 114.291 20.938 -6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 112.646 21.236 -6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 113.627 20.573 -5.311 1.00 0.00 H new ATOM 941 N GLN A 60 108.203 14.687 -5.293 1.00 0.00 N ATOM 942 CA GLN A 60 107.171 14.289 -4.335 1.00 0.00 C ATOM 943 C GLN A 60 107.794 13.868 -3.009 1.00 0.00 C ATOM 944 O GLN A 60 108.917 13.369 -2.971 1.00 0.00 O ATOM 945 CB GLN A 60 106.327 13.122 -4.855 1.00 0.00 C ATOM 946 CG GLN A 60 105.432 13.587 -6.001 1.00 0.00 C ATOM 947 CD GLN A 60 104.453 12.478 -6.378 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.805 11.574 -7.137 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.242 12.477 -5.882 1.00 0.00 N ATOM 0 H GLN A 60 109.090 14.195 -5.184 1.00 0.00 H new ATOM 0 HA GLN A 60 106.531 15.160 -4.194 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.978 12.317 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.716 12.718 -4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.885 14.482 -5.706 1.00 0.00 H new ATOM 0 HG3 GLN A 60 106.041 13.855 -6.864 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.948 13.224 -5.253 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.592 11.729 -6.124 1.00 0.00 H new ATOM 958 N ASP A 61 107.051 14.061 -1.925 1.00 0.00 N ATOM 959 CA ASP A 61 107.471 13.552 -0.625 1.00 0.00 C ATOM 960 C ASP A 61 106.836 12.186 -0.389 1.00 0.00 C ATOM 961 O ASP A 61 105.617 12.040 -0.487 1.00 0.00 O ATOM 962 CB ASP A 61 107.047 14.519 0.484 1.00 0.00 C ATOM 963 CG ASP A 61 107.742 15.868 0.314 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.853 15.890 -0.192 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.149 16.865 0.694 1.00 0.00 O ATOM 0 H ASP A 61 106.162 14.562 -1.920 1.00 0.00 H new ATOM 0 HA ASP A 61 108.557 13.458 -0.611 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.966 14.655 0.462 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.295 14.096 1.457 1.00 0.00 H new ATOM 970 N ILE A 62 107.656 11.183 -0.083 1.00 0.00 N ATOM 971 CA ILE A 62 107.155 9.817 0.082 1.00 0.00 C ATOM 972 C ILE A 62 107.569 9.256 1.445 1.00 0.00 C ATOM 973 O ILE A 62 108.667 9.541 1.923 1.00 0.00 O ATOM 974 CB ILE A 62 107.676 8.955 -1.079 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.945 7.611 -1.088 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.189 8.722 -0.972 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.582 7.775 -1.769 1.00 0.00 C ATOM 0 H ILE A 62 108.661 11.287 0.055 1.00 0.00 H new ATOM 0 HA ILE A 62 106.065 9.811 0.057 1.00 0.00 H new ATOM 0 HB ILE A 62 107.484 9.488 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.540 6.865 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.813 7.250 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.523 8.109 -1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.707 9.681 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.413 8.211 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 62 105.061 6.818 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.988 8.508 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.726 8.117 -2.794 1.00 0.00 H new ATOM 989 N SER A 63 106.704 8.451 2.062 1.00 0.00 N ATOM 990 CA SER A 63 106.969 7.982 3.421 1.00 0.00 C ATOM 991 C SER A 63 106.377 6.599 3.684 1.00 0.00 C ATOM 992 O SER A 63 105.461 6.144 2.995 1.00 0.00 O ATOM 993 CB SER A 63 106.399 8.977 4.432 1.00 0.00 C ATOM 994 OG SER A 63 104.979 8.904 4.412 1.00 0.00 O ATOM 0 H SER A 63 105.832 8.116 1.653 1.00 0.00 H new ATOM 0 HA SER A 63 108.051 7.906 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.772 8.752 5.431 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.726 9.988 4.189 1.00 0.00 H new ATOM 0 HG SER A 63 104.652 9.135 3.518 1.00 0.00 H new ATOM 1000 N GLU A 64 106.903 5.945 4.716 1.00 0.00 N ATOM 1001 CA GLU A 64 106.445 4.614 5.091 1.00 0.00 C ATOM 1002 C GLU A 64 104.939 4.590 5.343 1.00 0.00 C ATOM 1003 O GLU A 64 104.272 3.609 5.023 1.00 0.00 O ATOM 1004 CB GLU A 64 107.187 4.150 6.349 1.00 0.00 C ATOM 1005 CG GLU A 64 106.908 5.108 7.514 1.00 0.00 C ATOM 1006 CD GLU A 64 107.712 4.738 8.765 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.372 3.708 8.770 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.651 5.500 9.716 1.00 0.00 O ATOM 0 H GLU A 64 107.647 6.317 5.307 1.00 0.00 H new ATOM 0 HA GLU A 64 106.658 3.938 4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.871 3.141 6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.258 4.107 6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.154 6.126 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.844 5.093 7.749 1.00 0.00 H new ATOM 1015 N ALA A 65 104.399 5.677 5.887 1.00 0.00 N ATOM 1016 CA ALA A 65 102.984 5.715 6.241 1.00 0.00 C ATOM 1017 C ALA A 65 102.105 5.462 5.020 1.00 0.00 C ATOM 1018 O ALA A 65 101.132 4.711 5.093 1.00 0.00 O ATOM 1019 CB ALA A 65 102.632 7.075 6.846 1.00 0.00 C ATOM 0 H ALA A 65 104.913 6.534 6.090 1.00 0.00 H new ATOM 0 HA ALA A 65 102.799 4.928 6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.574 7.094 7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.230 7.240 7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.841 7.861 6.120 1.00 0.00 H new ATOM 1025 N ASN A 66 102.448 6.092 3.902 1.00 0.00 N ATOM 1026 CA ASN A 66 101.628 5.981 2.698 1.00 0.00 C ATOM 1027 C ASN A 66 101.729 4.585 2.089 1.00 0.00 C ATOM 1028 O ASN A 66 100.721 3.985 1.717 1.00 0.00 O ATOM 1029 CB ASN A 66 102.063 7.009 1.647 1.00 0.00 C ATOM 1030 CG ASN A 66 102.147 8.409 2.248 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.228 8.860 2.626 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.067 9.131 2.348 1.00 0.00 N ATOM 0 H ASN A 66 103.277 6.678 3.802 1.00 0.00 H new ATOM 0 HA ASN A 66 100.596 6.171 2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.033 6.727 1.238 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.355 7.008 0.818 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.117 10.071 2.740 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.172 8.756 2.034 1.00 0.00 H new ATOM 1039 N LEU A 67 102.952 4.079 1.970 1.00 0.00 N ATOM 1040 CA LEU A 67 103.170 2.778 1.339 1.00 0.00 C ATOM 1041 C LEU A 67 102.706 1.609 2.210 1.00 0.00 C ATOM 1042 O LEU A 67 102.398 0.537 1.686 1.00 0.00 O ATOM 1043 CB LEU A 67 104.648 2.608 0.980 1.00 0.00 C ATOM 1044 CG LEU A 67 104.948 3.388 -0.303 1.00 0.00 C ATOM 1045 CD1 LEU A 67 105.032 4.881 0.018 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.273 2.913 -0.912 1.00 0.00 C ATOM 0 H LEU A 67 103.800 4.542 2.297 1.00 0.00 H new ATOM 0 HA LEU A 67 102.563 2.761 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.276 2.969 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.882 1.552 0.841 1.00 0.00 H new ATOM 0 HG LEU A 67 104.148 3.214 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.246 5.438 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 67 104.083 5.218 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.828 5.053 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.476 3.474 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 67 107.081 3.076 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.205 1.851 -1.147 1.00 0.00 H new ATOM 1058 N ALA A 68 102.662 1.799 3.529 1.00 0.00 N ATOM 1059 CA ALA A 68 102.286 0.728 4.454 1.00 0.00 C ATOM 1060 C ALA A 68 103.406 -0.325 4.481 1.00 0.00 C ATOM 1061 O ALA A 68 104.567 0.033 4.287 1.00 0.00 O ATOM 1062 CB ALA A 68 100.919 0.138 4.060 1.00 0.00 C ATOM 0 H ALA A 68 102.882 2.686 3.982 1.00 0.00 H new ATOM 0 HA ALA A 68 102.173 1.119 5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.652 -0.657 4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.161 0.921 4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.975 -0.268 3.050 1.00 0.00 H new ATOM 1068 N TYR A 69 103.093 -1.606 4.693 1.00 0.00 N ATOM 1069 CA TYR A 69 104.131 -2.637 4.775 1.00 0.00 C ATOM 1070 C TYR A 69 105.028 -2.664 3.528 1.00 0.00 C ATOM 1071 O TYR A 69 106.144 -3.181 3.578 1.00 0.00 O ATOM 1072 CB TYR A 69 103.480 -4.009 4.958 1.00 0.00 C ATOM 1073 CG TYR A 69 102.681 -4.128 6.236 1.00 0.00 C ATOM 1074 CD1 TYR A 69 103.331 -4.403 7.445 1.00 0.00 C ATOM 1075 CD2 TYR A 69 101.292 -3.962 6.209 1.00 0.00 C ATOM 1076 CE1 TYR A 69 102.591 -4.513 8.628 1.00 0.00 C ATOM 1077 CE2 TYR A 69 100.552 -4.072 7.393 1.00 0.00 C ATOM 1078 CZ TYR A 69 101.201 -4.348 8.602 1.00 0.00 C ATOM 1079 OH TYR A 69 100.472 -4.456 9.768 1.00 0.00 O ATOM 0 H TYR A 69 102.140 -1.952 4.810 1.00 0.00 H new ATOM 0 HA TYR A 69 104.761 -2.396 5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.826 -4.209 4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 69 104.255 -4.775 4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.403 -4.530 7.465 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.791 -3.749 5.276 1.00 0.00 H new ATOM 0 HE1 TYR A 69 103.092 -4.725 9.561 1.00 0.00 H new ATOM 0 HE2 TYR A 69 99.480 -3.944 7.373 1.00 0.00 H new ATOM 0 HH TYR A 69 99.522 -4.313 9.574 1.00 0.00 H new ATOM 1089 N LEU A 70 104.544 -2.111 2.418 1.00 0.00 N ATOM 1090 CA LEU A 70 105.308 -2.088 1.170 1.00 0.00 C ATOM 1091 C LEU A 70 106.642 -1.346 1.317 1.00 0.00 C ATOM 1092 O LEU A 70 107.577 -1.597 0.556 1.00 0.00 O ATOM 1093 CB LEU A 70 104.479 -1.421 0.068 1.00 0.00 C ATOM 1094 CG LEU A 70 103.152 -2.162 -0.114 1.00 0.00 C ATOM 1095 CD1 LEU A 70 102.294 -1.422 -1.140 1.00 0.00 C ATOM 1096 CD2 LEU A 70 103.418 -3.584 -0.616 1.00 0.00 C ATOM 0 H LEU A 70 103.625 -1.672 2.356 1.00 0.00 H new ATOM 0 HA LEU A 70 105.529 -3.123 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 70 104.290 -0.379 0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 70 105.037 -1.422 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 70 102.631 -2.205 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.349 -1.948 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 70 102.100 -0.409 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 70 102.821 -1.381 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.471 -4.108 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 70 103.941 -3.541 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 70 104.032 -4.117 0.110 1.00 0.00 H new ATOM 1108 N TRP A 71 106.734 -0.437 2.286 1.00 0.00 N ATOM 1109 CA TRP A 71 107.935 0.374 2.464 1.00 0.00 C ATOM 1110 C TRP A 71 109.167 -0.529 2.631 1.00 0.00 C ATOM 1111 O TRP A 71 109.264 -1.227 3.643 1.00 0.00 O ATOM 1112 CB TRP A 71 107.772 1.231 3.720 1.00 0.00 C ATOM 1113 CG TRP A 71 108.753 2.356 3.817 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.707 2.469 4.766 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.893 3.525 2.954 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.410 3.641 4.556 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.955 4.322 3.446 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.212 3.967 1.809 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.325 5.517 2.821 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.580 5.165 1.178 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.634 5.938 1.682 1.00 0.00 C ATOM 0 H TRP A 71 105.992 -0.244 2.959 1.00 0.00 H new ATOM 0 HA TRP A 71 108.073 1.006 1.587 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.762 1.640 3.740 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.876 0.594 4.599 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.891 1.760 5.559 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.174 3.963 5.151 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.398 3.380 1.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.138 6.109 3.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 108.047 5.493 0.298 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.912 6.859 1.191 1.00 0.00 H new ATOM 1132 N PRO A 72 110.105 -0.551 1.703 1.00 0.00 N ATOM 1133 CA PRO A 72 111.268 -1.485 1.781 1.00 0.00 C ATOM 1134 C PRO A 72 112.475 -0.920 2.532 1.00 0.00 C ATOM 1135 O PRO A 72 113.410 -1.658 2.840 1.00 0.00 O ATOM 1136 CB PRO A 72 111.615 -1.707 0.311 1.00 0.00 C ATOM 1137 CG PRO A 72 111.311 -0.406 -0.349 1.00 0.00 C ATOM 1138 CD PRO A 72 110.207 0.263 0.474 1.00 0.00 C ATOM 0 HA PRO A 72 111.015 -2.387 2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.664 -1.978 0.188 1.00 0.00 H new ATOM 0 HB3 PRO A 72 111.024 -2.516 -0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.199 0.224 -0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 72 110.985 -0.562 -1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.458 1.298 0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.262 0.278 -0.070 1.00 0.00 H new ATOM 1146 N LEU A 73 112.480 0.386 2.790 1.00 0.00 N ATOM 1147 CA LEU A 73 113.642 1.029 3.402 1.00 0.00 C ATOM 1148 C LEU A 73 113.530 1.064 4.923 1.00 0.00 C ATOM 1149 O LEU A 73 112.441 1.217 5.478 1.00 0.00 O ATOM 1150 CB LEU A 73 113.787 2.464 2.892 1.00 0.00 C ATOM 1151 CG LEU A 73 113.837 2.494 1.362 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.918 3.951 0.906 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.068 1.732 0.862 1.00 0.00 C ATOM 0 H LEU A 73 111.702 1.014 2.588 1.00 0.00 H new ATOM 0 HA LEU A 73 114.516 0.440 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.950 3.067 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.695 2.910 3.299 1.00 0.00 H new ATOM 0 HG LEU A 73 112.943 2.021 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.954 3.990 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 73 113.040 4.492 1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.817 4.411 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.095 1.759 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.970 2.198 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.016 0.696 1.198 1.00 0.00 H new ATOM 1165 N THR A 74 114.674 0.921 5.582 1.00 0.00 N ATOM 1166 CA THR A 74 114.746 1.044 7.033 1.00 0.00 C ATOM 1167 C THR A 74 114.505 2.490 7.462 1.00 0.00 C ATOM 1168 O THR A 74 113.868 2.731 8.489 1.00 0.00 O ATOM 1169 CB THR A 74 116.118 0.583 7.532 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.125 1.422 6.983 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.364 -0.864 7.101 1.00 0.00 C ATOM 0 H THR A 74 115.567 0.719 5.133 1.00 0.00 H new ATOM 0 HA THR A 74 113.972 0.413 7.470 1.00 0.00 H new ATOM 0 HB THR A 74 116.147 0.643 8.620 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.259 1.197 6.039 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.341 -1.189 7.458 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.591 -1.506 7.524 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.335 -0.930 6.013 1.00 0.00 H new ATOM 1179 N VAL A 75 115.012 3.448 6.682 1.00 0.00 N ATOM 1180 CA VAL A 75 114.734 4.852 6.965 1.00 0.00 C ATOM 1181 C VAL A 75 113.241 5.085 6.796 1.00 0.00 C ATOM 1182 O VAL A 75 112.661 4.692 5.789 1.00 0.00 O ATOM 1183 CB VAL A 75 115.529 5.784 6.043 1.00 0.00 C ATOM 1184 CG1 VAL A 75 117.019 5.660 6.363 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.296 5.420 4.574 1.00 0.00 C ATOM 0 H VAL A 75 115.604 3.280 5.868 1.00 0.00 H new ATOM 0 HA VAL A 75 115.041 5.079 7.986 1.00 0.00 H new ATOM 0 HB VAL A 75 115.193 6.808 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.588 6.321 5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.192 5.940 7.402 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.340 4.630 6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.869 6.094 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.617 4.393 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.236 5.514 4.340 1.00 0.00 H new ATOM 1195 N ASP A 76 112.617 5.703 7.790 1.00 0.00 N ATOM 1196 CA ASP A 76 111.161 5.761 7.833 1.00 0.00 C ATOM 1197 C ASP A 76 110.580 6.506 6.639 1.00 0.00 C ATOM 1198 O ASP A 76 109.484 6.175 6.185 1.00 0.00 O ATOM 1199 CB ASP A 76 110.696 6.420 9.134 1.00 0.00 C ATOM 1200 CG ASP A 76 111.089 5.570 10.340 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.170 4.360 10.197 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.304 6.144 11.396 1.00 0.00 O ATOM 0 H ASP A 76 113.088 6.166 8.568 1.00 0.00 H new ATOM 0 HA ASP A 76 110.796 4.735 7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.138 7.412 9.223 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.614 6.553 9.114 1.00 0.00 H new ATOM 1207 N HIS A 77 111.287 7.520 6.148 1.00 0.00 N ATOM 1208 CA HIS A 77 110.786 8.285 5.015 1.00 0.00 C ATOM 1209 C HIS A 77 111.931 8.783 4.149 1.00 0.00 C ATOM 1210 O HIS A 77 113.099 8.564 4.463 1.00 0.00 O ATOM 1211 CB HIS A 77 109.943 9.466 5.505 1.00 0.00 C ATOM 1212 CG HIS A 77 110.649 10.344 6.502 1.00 0.00 C ATOM 1213 ND1 HIS A 77 111.111 9.863 7.716 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.961 11.682 6.486 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.671 10.893 8.374 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.608 12.026 7.670 1.00 0.00 N ATOM 0 H HIS A 77 112.191 7.825 6.509 1.00 0.00 H new ATOM 0 HA HIS A 77 110.160 7.629 4.411 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.648 10.071 4.647 1.00 0.00 H new ATOM 0 HB3 HIS A 77 109.027 9.084 5.956 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.738 12.363 5.678 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.118 10.814 9.354 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.958 12.945 7.941 1.00 0.00 H new ATOM 1224 N GLY A 78 111.576 9.397 3.029 1.00 0.00 N ATOM 1225 CA GLY A 78 112.554 10.015 2.151 1.00 0.00 C ATOM 1226 C GLY A 78 111.842 10.810 1.064 1.00 0.00 C ATOM 1227 O GLY A 78 110.647 10.632 0.824 1.00 0.00 O ATOM 0 H GLY A 78 110.612 9.479 2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.208 10.671 2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.186 9.250 1.700 1.00 0.00 H new ATOM 1231 N THR A 79 112.572 11.712 0.426 1.00 0.00 N ATOM 1232 CA THR A 79 112.006 12.523 -0.645 1.00 0.00 C ATOM 1233 C THR A 79 112.553 12.064 -1.991 1.00 0.00 C ATOM 1234 O THR A 79 113.731 11.746 -2.110 1.00 0.00 O ATOM 1235 CB THR A 79 112.352 13.996 -0.420 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.185 14.312 0.954 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.404 14.855 -1.258 1.00 0.00 C ATOM 0 H THR A 79 113.553 11.902 0.629 1.00 0.00 H new ATOM 0 HA THR A 79 110.922 12.406 -0.643 1.00 0.00 H new ATOM 0 HB THR A 79 113.385 14.187 -0.712 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.408 15.255 1.102 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.639 15.909 -1.108 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.521 14.604 -2.312 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.375 14.665 -0.952 1.00 0.00 H new ATOM 1245 N ILE A 80 111.696 12.028 -3.007 1.00 0.00 N ATOM 1246 CA ILE A 80 112.113 11.590 -4.335 1.00 0.00 C ATOM 1247 C ILE A 80 112.139 12.778 -5.288 1.00 0.00 C ATOM 1248 O ILE A 80 111.251 13.632 -5.247 1.00 0.00 O ATOM 1249 CB ILE A 80 111.150 10.515 -4.853 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.722 11.073 -4.895 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.204 9.304 -3.919 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.774 10.038 -5.506 1.00 0.00 C ATOM 0 H ILE A 80 110.714 12.295 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 80 113.115 11.166 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 80 111.443 10.216 -5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.393 11.330 -3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.699 11.991 -5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.522 8.535 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.219 8.907 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.910 9.606 -2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.762 10.442 -5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 80 109.097 9.803 -6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.787 9.131 -4.901 1.00 0.00 H new ATOM 1264 N GLU A 81 113.171 12.844 -6.127 1.00 0.00 N ATOM 1265 CA GLU A 81 113.312 13.973 -7.040 1.00 0.00 C ATOM 1266 C GLU A 81 113.908 13.552 -8.377 1.00 0.00 C ATOM 1267 O GLU A 81 114.739 12.645 -8.449 1.00 0.00 O ATOM 1268 CB GLU A 81 114.204 15.041 -6.403 1.00 0.00 C ATOM 1269 CG GLU A 81 113.568 15.531 -5.095 1.00 0.00 C ATOM 1270 CD GLU A 81 114.373 16.671 -4.464 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.481 16.937 -4.907 1.00 0.00 O ATOM 1272 OE2 GLU A 81 113.861 17.271 -3.534 1.00 0.00 O ATOM 0 H GLU A 81 113.909 12.142 -6.193 1.00 0.00 H new ATOM 0 HA GLU A 81 112.315 14.373 -7.227 1.00 0.00 H new ATOM 0 HB2 GLU A 81 115.195 14.631 -6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 81 114.335 15.877 -7.090 1.00 0.00 H new ATOM 0 HG2 GLU A 81 112.550 15.869 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.499 14.702 -4.391 1.00 0.00 H new ATOM 1279 N CYS A 82 113.458 14.220 -9.435 1.00 0.00 N ATOM 1280 CA CYS A 82 114.022 14.029 -10.765 1.00 0.00 C ATOM 1281 C CYS A 82 114.830 15.261 -11.165 1.00 0.00 C ATOM 1282 O CYS A 82 114.294 16.367 -11.237 1.00 0.00 O ATOM 1283 CB CYS A 82 112.900 13.799 -11.780 1.00 0.00 C ATOM 1284 SG CYS A 82 112.479 12.038 -11.822 1.00 0.00 S ATOM 0 H CYS A 82 112.700 14.902 -9.395 1.00 0.00 H new ATOM 0 HA CYS A 82 114.676 13.157 -10.751 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.023 14.387 -11.509 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.215 14.133 -12.769 1.00 0.00 H new ATOM 1359 N ALA A 88 116.956 9.791 -11.800 1.00 0.00 N ATOM 1360 CA ALA A 88 116.067 9.614 -10.659 1.00 0.00 C ATOM 1361 C ALA A 88 116.872 9.255 -9.415 1.00 0.00 C ATOM 1362 O ALA A 88 117.580 8.247 -9.395 1.00 0.00 O ATOM 1363 CB ALA A 88 115.058 8.504 -10.954 1.00 0.00 C ATOM 0 HA ALA A 88 115.535 10.549 -10.481 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.396 8.377 -10.097 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.469 8.772 -11.831 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.589 7.571 -11.144 1.00 0.00 H new ATOM 1369 N VAL A 89 116.742 10.068 -8.368 1.00 0.00 N ATOM 1370 CA VAL A 89 117.481 9.829 -7.130 1.00 0.00 C ATOM 1371 C VAL A 89 116.565 9.904 -5.911 1.00 0.00 C ATOM 1372 O VAL A 89 115.522 10.561 -5.931 1.00 0.00 O ATOM 1373 CB VAL A 89 118.603 10.859 -6.979 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.596 10.709 -8.132 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.012 12.272 -6.998 1.00 0.00 C ATOM 0 H VAL A 89 116.138 10.890 -8.351 1.00 0.00 H new ATOM 0 HA VAL A 89 117.903 8.826 -7.187 1.00 0.00 H new ATOM 0 HB VAL A 89 119.117 10.693 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.394 11.443 -8.023 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.022 9.706 -8.117 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.081 10.871 -9.079 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.813 13.003 -6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.495 12.437 -7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.307 12.383 -6.174 1.00 0.00 H new ATOM 1385 N PHE A 90 116.991 9.230 -4.848 1.00 0.00 N ATOM 1386 CA PHE A 90 116.254 9.187 -3.589 1.00 0.00 C ATOM 1387 C PHE A 90 117.049 9.890 -2.490 1.00 0.00 C ATOM 1388 O PHE A 90 118.216 9.581 -2.271 1.00 0.00 O ATOM 1389 CB PHE A 90 116.031 7.722 -3.205 1.00 0.00 C ATOM 1390 CG PHE A 90 115.331 7.511 -1.882 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.943 7.671 -1.783 1.00 0.00 C ATOM 1392 CD2 PHE A 90 116.075 7.137 -0.757 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.301 7.457 -0.556 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.434 6.923 0.469 1.00 0.00 C ATOM 1395 CZ PHE A 90 114.047 7.081 0.569 1.00 0.00 C ATOM 0 H PHE A 90 117.860 8.696 -4.835 1.00 0.00 H new ATOM 0 HA PHE A 90 115.297 9.695 -3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.447 7.241 -3.989 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.997 7.219 -3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.368 7.959 -2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.145 7.013 -0.835 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.231 7.582 -0.477 1.00 0.00 H new ATOM 0 HE2 PHE A 90 116.009 6.636 1.337 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.551 6.913 1.514 1.00 0.00 H new ATOM 1405 N VAL A 91 116.417 10.834 -1.803 1.00 0.00 N ATOM 1406 CA VAL A 91 117.073 11.557 -0.715 1.00 0.00 C ATOM 1407 C VAL A 91 116.487 11.103 0.616 1.00 0.00 C ATOM 1408 O VAL A 91 115.271 11.076 0.781 1.00 0.00 O ATOM 1409 CB VAL A 91 116.852 13.067 -0.885 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.565 13.863 0.219 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.389 13.513 -2.249 1.00 0.00 C ATOM 0 H VAL A 91 115.453 11.118 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 91 118.143 11.348 -0.735 1.00 0.00 H new ATOM 0 HB VAL A 91 115.782 13.262 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.389 14.928 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.177 13.563 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.636 13.663 0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.232 14.585 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.455 13.293 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.863 12.978 -3.040 1.00 0.00 H new ATOM 1421 N ALA A 92 117.353 10.768 1.568 1.00 0.00 N ATOM 1422 CA ALA A 92 116.885 10.338 2.885 1.00 0.00 C ATOM 1423 C ALA A 92 116.981 11.483 3.898 1.00 0.00 C ATOM 1424 O ALA A 92 117.780 12.397 3.706 1.00 0.00 O ATOM 1425 CB ALA A 92 117.723 9.156 3.373 1.00 0.00 C ATOM 0 H ALA A 92 118.367 10.785 1.457 1.00 0.00 H new ATOM 0 HA ALA A 92 115.841 10.037 2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.370 8.840 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.629 8.328 2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.769 9.456 3.443 1.00 0.00 H new ATOM 1431 N PRO A 93 116.200 11.467 4.959 1.00 0.00 N ATOM 1432 CA PRO A 93 116.272 12.543 5.999 1.00 0.00 C ATOM 1433 C PRO A 93 117.697 12.839 6.458 1.00 0.00 C ATOM 1434 O PRO A 93 117.992 13.945 6.913 1.00 0.00 O ATOM 1435 CB PRO A 93 115.440 12.003 7.165 1.00 0.00 C ATOM 1436 CG PRO A 93 114.497 11.014 6.568 1.00 0.00 C ATOM 1437 CD PRO A 93 115.154 10.479 5.296 1.00 0.00 C ATOM 0 HA PRO A 93 115.903 13.489 5.602 1.00 0.00 H new ATOM 0 HB2 PRO A 93 116.076 11.533 7.915 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.899 12.807 7.665 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.295 10.203 7.268 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.540 11.483 6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.583 9.491 5.460 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.429 10.382 4.488 1.00 0.00 H new ATOM 1445 N ASP A 94 118.578 11.853 6.340 1.00 0.00 N ATOM 1446 CA ASP A 94 119.961 12.020 6.784 1.00 0.00 C ATOM 1447 C ASP A 94 120.727 13.072 5.967 1.00 0.00 C ATOM 1448 O ASP A 94 121.823 13.476 6.357 1.00 0.00 O ATOM 1449 CB ASP A 94 120.686 10.667 6.714 1.00 0.00 C ATOM 1450 CG ASP A 94 120.575 10.029 5.325 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.160 10.703 4.397 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.919 8.863 5.204 1.00 0.00 O ATOM 0 H ASP A 94 118.365 10.937 5.945 1.00 0.00 H new ATOM 0 HA ASP A 94 119.932 12.382 7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.737 10.805 6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.265 9.991 7.458 1.00 0.00 H new ATOM 1457 N GLY A 95 120.167 13.519 4.841 1.00 0.00 N ATOM 1458 CA GLY A 95 120.851 14.481 3.974 1.00 0.00 C ATOM 1459 C GLY A 95 121.733 13.808 2.910 1.00 0.00 C ATOM 1460 O GLY A 95 122.491 14.486 2.216 1.00 0.00 O ATOM 0 H GLY A 95 119.246 13.232 4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 95 120.109 15.108 3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.468 15.139 4.586 1.00 0.00 H new ATOM 1464 N THR A 96 121.636 12.486 2.781 1.00 0.00 N ATOM 1465 CA THR A 96 122.425 11.739 1.816 1.00 0.00 C ATOM 1466 C THR A 96 121.575 11.448 0.589 1.00 0.00 C ATOM 1467 O THR A 96 120.393 11.127 0.711 1.00 0.00 O ATOM 1468 CB THR A 96 122.879 10.419 2.443 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.593 10.688 3.641 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.779 9.652 1.470 1.00 0.00 C ATOM 0 H THR A 96 121.010 11.909 3.342 1.00 0.00 H new ATOM 0 HA THR A 96 123.298 12.324 1.527 1.00 0.00 H new ATOM 0 HB THR A 96 122.003 9.810 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.883 9.844 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 96 124.095 8.715 1.928 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.227 9.440 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.656 10.254 1.234 1.00 0.00 H new ATOM 1478 N THR A 97 122.174 11.567 -0.590 1.00 0.00 N ATOM 1479 CA THR A 97 121.462 11.263 -1.825 1.00 0.00 C ATOM 1480 C THR A 97 121.917 9.913 -2.367 1.00 0.00 C ATOM 1481 O THR A 97 123.111 9.627 -2.438 1.00 0.00 O ATOM 1482 CB THR A 97 121.727 12.353 -2.865 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.398 13.621 -2.313 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.871 12.098 -4.106 1.00 0.00 C ATOM 0 H THR A 97 123.140 11.868 -0.717 1.00 0.00 H new ATOM 0 HA THR A 97 120.393 11.224 -1.616 1.00 0.00 H new ATOM 0 HB THR A 97 122.780 12.339 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.569 14.321 -2.977 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.061 12.876 -4.845 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.124 11.126 -4.529 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.817 12.111 -3.830 1.00 0.00 H new ATOM 1492 N TYR A 98 120.946 9.091 -2.738 1.00 0.00 N ATOM 1493 CA TYR A 98 121.213 7.772 -3.291 1.00 0.00 C ATOM 1494 C TYR A 98 120.662 7.701 -4.713 1.00 0.00 C ATOM 1495 O TYR A 98 119.690 8.380 -5.031 1.00 0.00 O ATOM 1496 CB TYR A 98 120.525 6.705 -2.438 1.00 0.00 C ATOM 1497 CG TYR A 98 120.924 6.701 -0.976 1.00 0.00 C ATOM 1498 CD1 TYR A 98 120.209 7.474 -0.051 1.00 0.00 C ATOM 1499 CD2 TYR A 98 121.997 5.914 -0.542 1.00 0.00 C ATOM 1500 CE1 TYR A 98 120.568 7.461 1.303 1.00 0.00 C ATOM 1501 CE2 TYR A 98 122.354 5.899 0.814 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.640 6.673 1.737 1.00 0.00 C ATOM 1503 OH TYR A 98 121.994 6.658 3.072 1.00 0.00 O ATOM 0 H TYR A 98 119.954 9.319 -2.664 1.00 0.00 H new ATOM 0 HA TYR A 98 122.289 7.596 -3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.446 6.847 -2.505 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.744 5.725 -2.862 1.00 0.00 H new ATOM 0 HD1 TYR A 98 119.380 8.081 -0.383 1.00 0.00 H new ATOM 0 HD2 TYR A 98 122.551 5.318 -1.252 1.00 0.00 H new ATOM 0 HE1 TYR A 98 120.017 8.060 2.013 1.00 0.00 H new ATOM 0 HE2 TYR A 98 123.181 5.289 1.147 1.00 0.00 H new ATOM 0 HH TYR A 98 121.562 7.407 3.533 1.00 0.00 H new ATOM 1513 N ALA A 99 121.271 6.881 -5.561 1.00 0.00 N ATOM 1514 CA ALA A 99 120.801 6.735 -6.935 1.00 0.00 C ATOM 1515 C ALA A 99 119.721 5.660 -7.023 1.00 0.00 C ATOM 1516 O ALA A 99 119.932 4.522 -6.605 1.00 0.00 O ATOM 1517 CB ALA A 99 121.970 6.361 -7.852 1.00 0.00 C ATOM 0 H ALA A 99 122.084 6.311 -5.326 1.00 0.00 H new ATOM 0 HA ALA A 99 120.377 7.687 -7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.610 6.254 -8.875 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.727 7.144 -7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.405 5.418 -7.520 1.00 0.00 H new ATOM 1523 N LEU A 100 118.562 6.026 -7.568 1.00 0.00 N ATOM 1524 CA LEU A 100 117.477 5.067 -7.735 1.00 0.00 C ATOM 1525 C LEU A 100 117.682 4.270 -9.015 1.00 0.00 C ATOM 1526 O LEU A 100 117.626 3.041 -9.011 1.00 0.00 O ATOM 1527 CB LEU A 100 116.127 5.783 -7.818 1.00 0.00 C ATOM 1528 CG LEU A 100 115.676 6.244 -6.433 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.615 7.335 -6.597 1.00 0.00 C ATOM 1530 CD2 LEU A 100 115.067 5.062 -5.677 1.00 0.00 C ATOM 0 H LEU A 100 118.353 6.969 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 100 117.480 4.401 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.205 6.641 -8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.380 5.114 -8.245 1.00 0.00 H new ATOM 0 HG LEU A 100 116.529 6.632 -5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.285 7.672 -5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.039 8.176 -7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.764 6.935 -7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.745 5.389 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.209 4.679 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.813 4.274 -5.573 1.00 0.00 H new ATOM 1542 N ASN A 101 117.919 4.986 -10.112 1.00 0.00 N ATOM 1543 CA ASN A 101 118.069 4.339 -11.417 1.00 0.00 C ATOM 1544 C ASN A 101 119.535 4.263 -11.839 1.00 0.00 C ATOM 1545 O ASN A 101 120.409 4.907 -11.255 1.00 0.00 O ATOM 1546 CB ASN A 101 117.227 5.069 -12.473 1.00 0.00 C ATOM 1547 CG ASN A 101 117.793 6.449 -12.800 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.799 6.868 -12.230 1.00 0.00 O ATOM 1549 ND2 ASN A 101 117.200 7.185 -13.699 1.00 0.00 N ATOM 0 H ASN A 101 118.011 6.002 -10.126 1.00 0.00 H new ATOM 0 HA ASN A 101 117.705 3.315 -11.331 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.186 4.469 -13.382 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.204 5.173 -12.113 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.571 8.107 -13.929 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.366 6.838 -14.172 1.00 0.00 H new ATOM 1556 N ASP A 102 119.795 3.473 -12.874 1.00 0.00 N ATOM 1557 CA ASP A 102 121.166 3.185 -13.280 1.00 0.00 C ATOM 1558 C ASP A 102 121.947 4.458 -13.596 1.00 0.00 C ATOM 1559 O ASP A 102 123.122 4.563 -13.253 1.00 0.00 O ATOM 1560 CB ASP A 102 121.162 2.263 -14.503 1.00 0.00 C ATOM 1561 CG ASP A 102 120.517 2.953 -15.705 1.00 0.00 C ATOM 1562 OD1 ASP A 102 119.651 3.788 -15.498 1.00 0.00 O ATOM 1563 OD2 ASP A 102 120.900 2.634 -16.818 1.00 0.00 O ATOM 0 H ASP A 102 119.080 3.023 -13.445 1.00 0.00 H new ATOM 0 HA ASP A 102 121.661 2.691 -12.444 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.184 1.975 -14.749 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.620 1.347 -14.271 1.00 0.00 H new ATOM 1568 N ARG A 103 121.297 5.430 -14.229 1.00 0.00 N ATOM 1569 CA ARG A 103 121.994 6.639 -14.659 1.00 0.00 C ATOM 1570 C ARG A 103 122.528 7.430 -13.466 1.00 0.00 C ATOM 1571 O ARG A 103 123.674 7.882 -13.476 1.00 0.00 O ATOM 1572 CB ARG A 103 121.061 7.497 -15.515 1.00 0.00 C ATOM 1573 CG ARG A 103 120.787 6.758 -16.827 1.00 0.00 C ATOM 1574 CD ARG A 103 119.947 7.630 -17.761 1.00 0.00 C ATOM 1575 NE ARG A 103 118.676 7.979 -17.123 1.00 0.00 N ATOM 1576 CZ ARG A 103 117.671 7.109 -16.952 1.00 0.00 C ATOM 1577 NH1 ARG A 103 117.755 5.855 -17.326 1.00 0.00 N ATOM 1578 NH2 ARG A 103 116.575 7.534 -16.388 1.00 0.00 N ATOM 0 H ARG A 103 120.302 5.407 -14.454 1.00 0.00 H new ATOM 0 HA ARG A 103 122.855 6.346 -15.261 1.00 0.00 H new ATOM 0 HB2 ARG A 103 120.128 7.686 -14.985 1.00 0.00 H new ATOM 0 HB3 ARG A 103 121.516 8.467 -15.715 1.00 0.00 H new ATOM 0 HG2 ARG A 103 121.729 6.499 -17.310 1.00 0.00 H new ATOM 0 HG3 ARG A 103 120.265 5.823 -16.624 1.00 0.00 H new ATOM 0 HD2 ARG A 103 120.496 8.537 -18.014 1.00 0.00 H new ATOM 0 HD3 ARG A 103 119.760 7.099 -18.695 1.00 0.00 H new ATOM 0 HE ARG A 103 118.549 8.935 -16.791 1.00 0.00 H new ATOM 0 HH11 ARG A 103 118.608 5.510 -17.765 1.00 0.00 H new ATOM 0 HH12 ARG A 103 116.967 5.225 -17.178 1.00 0.00 H new ATOM 0 HH21 ARG A 103 116.499 8.506 -16.090 1.00 0.00 H new ATOM 0 HH22 ARG A 103 115.794 6.894 -16.245 1.00 0.00 H new ATOM 1592 N ALA A 104 121.719 7.561 -12.418 1.00 0.00 N ATOM 1593 CA ALA A 104 122.171 8.238 -11.203 1.00 0.00 C ATOM 1594 C ALA A 104 123.387 7.526 -10.607 1.00 0.00 C ATOM 1595 O ALA A 104 124.296 8.163 -10.068 1.00 0.00 O ATOM 1596 CB ALA A 104 121.039 8.270 -10.174 1.00 0.00 C ATOM 0 H ALA A 104 120.761 7.213 -12.383 1.00 0.00 H new ATOM 0 HA ALA A 104 122.456 9.257 -11.463 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.382 8.776 -9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.186 8.807 -10.588 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.742 7.251 -9.928 1.00 0.00 H new ATOM 1602 N GLU A 105 123.387 6.197 -10.677 1.00 0.00 N ATOM 1603 CA GLU A 105 124.524 5.422 -10.196 1.00 0.00 C ATOM 1604 C GLU A 105 125.772 5.746 -11.018 1.00 0.00 C ATOM 1605 O GLU A 105 126.860 5.914 -10.470 1.00 0.00 O ATOM 1606 CB GLU A 105 124.211 3.929 -10.284 1.00 0.00 C ATOM 1607 CG GLU A 105 125.252 3.148 -9.476 1.00 0.00 C ATOM 1608 CD GLU A 105 125.056 1.632 -9.597 1.00 0.00 C ATOM 1609 OE1 GLU A 105 124.158 1.198 -10.306 1.00 0.00 O ATOM 1610 OE2 GLU A 105 125.819 0.917 -8.970 1.00 0.00 O ATOM 0 H GLU A 105 122.621 5.641 -11.058 1.00 0.00 H new ATOM 0 HA GLU A 105 124.714 5.685 -9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 105 123.211 3.732 -9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 105 124.222 3.604 -11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 105 126.251 3.413 -9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 105 125.189 3.439 -8.427 1.00 0.00 H new ATOM 1617 N LYS A 106 125.605 5.870 -12.331 1.00 0.00 N ATOM 1618 CA LYS A 106 126.712 6.264 -13.205 1.00 0.00 C ATOM 1619 C LYS A 106 127.288 7.625 -12.803 1.00 0.00 C ATOM 1620 O LYS A 106 128.486 7.867 -12.949 1.00 0.00 O ATOM 1621 CB LYS A 106 126.242 6.326 -14.661 1.00 0.00 C ATOM 1622 CG LYS A 106 125.858 4.925 -15.140 1.00 0.00 C ATOM 1623 CD LYS A 106 125.494 4.978 -16.625 1.00 0.00 C ATOM 1624 CE LYS A 106 125.000 3.604 -17.081 1.00 0.00 C ATOM 1625 NZ LYS A 106 123.644 3.350 -16.517 1.00 0.00 N ATOM 0 H LYS A 106 124.722 5.705 -12.814 1.00 0.00 H new ATOM 0 HA LYS A 106 127.494 5.512 -13.101 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.388 6.997 -14.749 1.00 0.00 H new ATOM 0 HB3 LYS A 106 127.033 6.732 -15.291 1.00 0.00 H new ATOM 0 HG2 LYS A 106 126.687 4.235 -14.982 1.00 0.00 H new ATOM 0 HG3 LYS A 106 125.015 4.549 -14.561 1.00 0.00 H new ATOM 0 HD2 LYS A 106 124.721 5.728 -16.794 1.00 0.00 H new ATOM 0 HD3 LYS A 106 126.362 5.277 -17.212 1.00 0.00 H new ATOM 0 HE2 LYS A 106 124.966 3.561 -18.170 1.00 0.00 H new ATOM 0 HE3 LYS A 106 125.693 2.829 -16.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 123.184 2.585 -17.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 123.730 3.073 -15.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 123.071 4.215 -16.588 1.00 0.00 H new ATOM 1639 N ALA A 107 126.429 8.506 -12.297 1.00 0.00 N ATOM 1640 CA ALA A 107 126.856 9.825 -11.823 1.00 0.00 C ATOM 1641 C ALA A 107 127.640 9.767 -10.502 1.00 0.00 C ATOM 1642 O ALA A 107 128.021 10.808 -9.967 1.00 0.00 O ATOM 1643 CB ALA A 107 125.632 10.722 -11.639 1.00 0.00 C ATOM 0 H ALA A 107 125.428 8.332 -12.203 1.00 0.00 H new ATOM 0 HA ALA A 107 127.528 10.230 -12.580 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.950 11.703 -11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 107 125.113 10.829 -12.592 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.959 10.274 -10.908 1.00 0.00 H new ATOM 1649 N GLY A 108 127.882 8.567 -9.975 1.00 0.00 N ATOM 1650 CA GLY A 108 128.674 8.408 -8.761 1.00 0.00 C ATOM 1651 C GLY A 108 127.888 8.709 -7.487 1.00 0.00 C ATOM 1652 O GLY A 108 128.485 9.043 -6.462 1.00 0.00 O ATOM 0 H GLY A 108 127.540 7.692 -10.372 1.00 0.00 H new ATOM 0 HA2 GLY A 108 129.054 7.387 -8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.540 9.068 -8.811 1.00 0.00 H new ATOM 1656 N HIS A 109 126.560 8.599 -7.541 1.00 0.00 N ATOM 1657 CA HIS A 109 125.762 8.683 -6.325 1.00 0.00 C ATOM 1658 C HIS A 109 125.750 7.313 -5.637 1.00 0.00 C ATOM 1659 O HIS A 109 125.701 6.295 -6.332 1.00 0.00 O ATOM 1660 CB HIS A 109 124.331 9.108 -6.661 1.00 0.00 C ATOM 1661 CG HIS A 109 124.157 10.600 -6.747 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.683 11.461 -5.797 1.00 0.00 N ATOM 1663 CD2 HIS A 109 123.517 11.399 -7.664 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.354 12.714 -6.158 1.00 0.00 C ATOM 1665 NE2 HIS A 109 123.644 12.735 -7.289 1.00 0.00 N ATOM 0 H HIS A 109 126.026 8.454 -8.398 1.00 0.00 H new ATOM 0 HA HIS A 109 126.198 9.426 -5.657 1.00 0.00 H new ATOM 0 HB2 HIS A 109 124.040 8.660 -7.611 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.655 8.714 -5.902 1.00 0.00 H new ATOM 0 HD2 HIS A 109 122.995 11.045 -8.541 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.631 13.597 -5.601 1.00 0.00 H new ATOM 0 HE2 HIS A 109 123.274 13.553 -7.774 1.00 0.00 H new ATOM 1673 N PRO A 110 125.792 7.239 -4.321 1.00 0.00 N ATOM 1674 CA PRO A 110 125.813 5.918 -3.616 1.00 0.00 C ATOM 1675 C PRO A 110 124.498 5.154 -3.803 1.00 0.00 C ATOM 1676 O PRO A 110 123.471 5.778 -4.057 1.00 0.00 O ATOM 1677 CB PRO A 110 126.033 6.274 -2.143 1.00 0.00 C ATOM 1678 CG PRO A 110 125.554 7.678 -2.004 1.00 0.00 C ATOM 1679 CD PRO A 110 125.814 8.351 -3.351 1.00 0.00 C ATOM 0 HA PRO A 110 126.589 5.262 -4.009 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.478 5.602 -1.488 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.085 6.188 -1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 110 124.494 7.705 -1.753 1.00 0.00 H new ATOM 0 HG3 PRO A 110 126.084 8.193 -1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.050 9.094 -3.579 1.00 0.00 H new ATOM 0 HD3 PRO A 110 126.774 8.868 -3.359 1.00 0.00 H new ATOM 1687 N PRO A 111 124.498 3.840 -3.726 1.00 0.00 N ATOM 1688 CA PRO A 111 123.231 3.052 -3.849 1.00 0.00 C ATOM 1689 C PRO A 111 122.402 3.072 -2.564 1.00 0.00 C ATOM 1690 O PRO A 111 122.949 3.212 -1.471 1.00 0.00 O ATOM 1691 CB PRO A 111 123.708 1.637 -4.179 1.00 0.00 C ATOM 1692 CG PRO A 111 125.088 1.531 -3.619 1.00 0.00 C ATOM 1693 CD PRO A 111 125.660 2.946 -3.545 1.00 0.00 C ATOM 0 HA PRO A 111 122.569 3.467 -4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 111 123.049 0.889 -3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 111 123.709 1.466 -5.255 1.00 0.00 H new ATOM 0 HG2 PRO A 111 125.067 1.073 -2.630 1.00 0.00 H new ATOM 0 HG3 PRO A 111 125.711 0.897 -4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 111 126.149 3.124 -2.587 1.00 0.00 H new ATOM 0 HD3 PRO A 111 126.408 3.110 -4.320 1.00 0.00 H new ATOM 1701 N ILE A 112 121.082 2.941 -2.700 1.00 0.00 N ATOM 1702 CA ILE A 112 120.197 2.900 -1.531 1.00 0.00 C ATOM 1703 C ILE A 112 120.468 1.669 -0.650 1.00 0.00 C ATOM 1704 O ILE A 112 120.081 1.669 0.516 1.00 0.00 O ATOM 1705 CB ILE A 112 118.716 2.954 -1.973 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.449 4.302 -2.651 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.765 2.825 -0.770 1.00 0.00 C ATOM 1708 CD1 ILE A 112 117.037 4.344 -3.247 1.00 0.00 C ATOM 0 H ILE A 112 120.604 2.862 -3.598 1.00 0.00 H new ATOM 0 HA ILE A 112 120.409 3.779 -0.923 1.00 0.00 H new ATOM 0 HB ILE A 112 118.535 2.123 -2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.566 5.108 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 112 119.185 4.470 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.732 2.867 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.941 1.874 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.947 3.643 -0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.871 5.311 -3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.931 3.552 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.303 4.199 -2.454 1.00 0.00 H new ATOM 1720 N THR A 113 121.166 0.653 -1.162 1.00 0.00 N ATOM 1721 CA THR A 113 121.299 -0.612 -0.439 1.00 0.00 C ATOM 1722 C THR A 113 121.666 -0.489 1.051 1.00 0.00 C ATOM 1723 O THR A 113 121.137 -1.297 1.820 1.00 0.00 O ATOM 1724 CB THR A 113 122.245 -1.590 -1.154 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.462 -2.720 -0.322 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.590 -0.943 -1.477 1.00 0.00 C ATOM 0 H THR A 113 121.642 0.680 -2.064 1.00 0.00 H new ATOM 0 HA THR A 113 120.288 -1.020 -0.450 1.00 0.00 H new ATOM 0 HB THR A 113 121.777 -1.885 -2.093 1.00 0.00 H new ATOM 0 HG1 THR A 113 123.064 -3.348 -0.774 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.230 -1.667 -1.982 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.433 -0.082 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 113 124.068 -0.618 -0.553 1.00 0.00 H new ATOM 1734 N PRO A 114 122.475 0.453 1.525 1.00 0.00 N ATOM 1735 CA PRO A 114 122.820 0.501 2.987 1.00 0.00 C ATOM 1736 C PRO A 114 121.574 0.637 3.864 1.00 0.00 C ATOM 1737 O PRO A 114 121.534 0.124 4.982 1.00 0.00 O ATOM 1738 CB PRO A 114 123.737 1.717 3.141 1.00 0.00 C ATOM 1739 CG PRO A 114 124.260 1.978 1.772 1.00 0.00 C ATOM 1740 CD PRO A 114 123.129 1.582 0.829 1.00 0.00 C ATOM 0 HA PRO A 114 123.302 -0.421 3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.190 2.578 3.526 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.547 1.515 3.842 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.528 3.027 1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.159 1.394 1.576 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.436 2.407 0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.508 1.285 -0.149 1.00 0.00 H new ATOM 1748 N ILE A 115 120.562 1.331 3.350 1.00 0.00 N ATOM 1749 CA ILE A 115 119.292 1.485 4.069 1.00 0.00 C ATOM 1750 C ILE A 115 118.205 0.509 3.596 1.00 0.00 C ATOM 1751 O ILE A 115 117.063 0.613 4.032 1.00 0.00 O ATOM 1752 CB ILE A 115 118.763 2.923 3.944 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.726 3.362 2.470 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.658 3.869 4.744 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.986 4.698 2.318 1.00 0.00 C ATOM 0 H ILE A 115 120.592 1.795 2.442 1.00 0.00 H new ATOM 0 HA ILE A 115 119.513 1.254 5.111 1.00 0.00 H new ATOM 0 HB ILE A 115 117.748 2.958 4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.743 3.459 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.232 2.597 1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.282 4.888 4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.656 3.572 5.793 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.676 3.822 4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.972 4.989 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.963 4.590 2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.497 5.465 2.900 1.00 0.00 H new ATOM 1767 N ARG A 116 118.541 -0.432 2.717 1.00 0.00 N ATOM 1768 CA ARG A 116 117.567 -1.394 2.211 1.00 0.00 C ATOM 1769 C ARG A 116 117.313 -2.496 3.236 1.00 0.00 C ATOM 1770 O ARG A 116 118.242 -2.983 3.879 1.00 0.00 O ATOM 1771 CB ARG A 116 118.109 -1.999 0.915 1.00 0.00 C ATOM 1772 CG ARG A 116 117.076 -2.934 0.285 1.00 0.00 C ATOM 1773 CD ARG A 116 117.673 -3.540 -0.988 1.00 0.00 C ATOM 1774 NE ARG A 116 116.680 -4.369 -1.675 1.00 0.00 N ATOM 1775 CZ ARG A 116 116.687 -4.589 -3.000 1.00 0.00 C ATOM 1776 NH1 ARG A 116 117.591 -4.065 -3.792 1.00 0.00 N ATOM 1777 NH2 ARG A 116 115.765 -5.354 -3.517 1.00 0.00 N ATOM 0 H ARG A 116 119.482 -0.548 2.340 1.00 0.00 H new ATOM 0 HA ARG A 116 116.621 -0.887 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.363 -1.204 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 116 119.028 -2.548 1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.803 -3.722 0.986 1.00 0.00 H new ATOM 0 HG3 ARG A 116 116.164 -2.386 0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 116 118.014 -2.745 -1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 116 118.547 -4.141 -0.737 1.00 0.00 H new ATOM 0 HE ARG A 116 115.944 -4.802 -1.118 1.00 0.00 H new ATOM 0 HH11 ARG A 116 118.322 -3.467 -3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 116 117.563 -4.255 -4.794 1.00 0.00 H new ATOM 0 HH21 ARG A 116 115.055 -5.774 -2.917 1.00 0.00 H new ATOM 0 HH22 ARG A 116 115.754 -5.532 -4.521 1.00 0.00 H new ATOM 1791 N ALA A 117 116.049 -2.886 3.386 1.00 0.00 N ATOM 1792 CA ALA A 117 115.675 -3.889 4.376 1.00 0.00 C ATOM 1793 C ALA A 117 115.874 -5.306 3.847 1.00 0.00 C ATOM 1794 O ALA A 117 115.545 -5.610 2.700 1.00 0.00 O ATOM 1795 CB ALA A 117 114.207 -3.703 4.763 1.00 0.00 C ATOM 0 H ALA A 117 115.270 -2.523 2.836 1.00 0.00 H new ATOM 0 HA ALA A 117 116.319 -3.755 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 117 113.928 -4.453 5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.065 -2.708 5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.580 -3.816 3.878 1.00 0.00 H new ATOM 1883 N ILE A 125 114.289 -6.923 -0.007 1.00 0.00 N ATOM 1884 CA ILE A 125 112.981 -6.412 -0.401 1.00 0.00 C ATOM 1885 C ILE A 125 113.121 -5.469 -1.596 1.00 0.00 C ATOM 1886 O ILE A 125 113.891 -4.510 -1.562 1.00 0.00 O ATOM 1887 CB ILE A 125 112.336 -5.706 0.801 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.143 -6.718 1.939 1.00 0.00 C ATOM 1889 CG2 ILE A 125 110.965 -5.136 0.421 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.999 -5.990 3.277 1.00 0.00 C ATOM 0 HA ILE A 125 112.336 -7.235 -0.708 1.00 0.00 H new ATOM 0 HB ILE A 125 112.990 -4.893 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.257 -7.324 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 125 112.993 -7.399 1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.525 -4.640 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.082 -4.416 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.312 -5.946 0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.863 -6.720 4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.897 -5.404 3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 125 111.134 -5.327 3.240 1.00 0.00 H new ATOM 1902 N SER A 126 112.352 -5.747 -2.645 1.00 0.00 N ATOM 1903 CA SER A 126 112.462 -5.006 -3.898 1.00 0.00 C ATOM 1904 C SER A 126 112.176 -3.522 -3.710 1.00 0.00 C ATOM 1905 O SER A 126 111.257 -3.134 -2.989 1.00 0.00 O ATOM 1906 CB SER A 126 111.481 -5.581 -4.920 1.00 0.00 C ATOM 1907 OG SER A 126 111.783 -6.953 -5.137 1.00 0.00 O ATOM 0 H SER A 126 111.644 -6.482 -2.652 1.00 0.00 H new ATOM 0 HA SER A 126 113.487 -5.109 -4.253 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.458 -5.474 -4.560 1.00 0.00 H new ATOM 0 HB3 SER A 126 111.548 -5.029 -5.857 1.00 0.00 H new ATOM 0 HG SER A 126 111.155 -7.327 -5.790 1.00 0.00 H new ATOM 1913 N LEU A 127 112.985 -2.702 -4.374 1.00 0.00 N ATOM 1914 CA LEU A 127 112.743 -1.259 -4.428 1.00 0.00 C ATOM 1915 C LEU A 127 111.970 -0.844 -5.693 1.00 0.00 C ATOM 1916 O LEU A 127 111.809 0.347 -5.957 1.00 0.00 O ATOM 1917 CB LEU A 127 114.078 -0.504 -4.404 1.00 0.00 C ATOM 1918 CG LEU A 127 114.912 -0.917 -3.186 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.259 -0.194 -3.226 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.176 -0.534 -1.900 1.00 0.00 C ATOM 0 H LEU A 127 113.814 -3.009 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 127 112.139 -1.006 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.634 -0.710 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.894 0.570 -4.378 1.00 0.00 H new ATOM 0 HG LEU A 127 115.069 -1.995 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.854 -0.486 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.790 -0.463 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.094 0.883 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.773 -0.830 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 127 114.017 0.544 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.213 -1.043 -1.867 1.00 0.00 H new ATOM 1932 N GLY A 128 111.493 -1.810 -6.483 1.00 0.00 N ATOM 1933 CA GLY A 128 110.852 -1.508 -7.760 1.00 0.00 C ATOM 1934 C GLY A 128 109.779 -0.429 -7.638 1.00 0.00 C ATOM 1935 O GLY A 128 109.712 0.478 -8.467 1.00 0.00 O ATOM 0 H GLY A 128 111.540 -2.804 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.609 -1.183 -8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.404 -2.417 -8.161 1.00 0.00 H new ATOM 1939 N ALA A 129 108.955 -0.510 -6.597 1.00 0.00 N ATOM 1940 CA ALA A 129 107.855 0.439 -6.440 1.00 0.00 C ATOM 1941 C ALA A 129 108.381 1.869 -6.360 1.00 0.00 C ATOM 1942 O ALA A 129 107.911 2.759 -7.072 1.00 0.00 O ATOM 1943 CB ALA A 129 107.062 0.114 -5.173 1.00 0.00 C ATOM 0 H ALA A 129 109.025 -1.211 -5.860 1.00 0.00 H new ATOM 0 HA ALA A 129 107.204 0.354 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.244 0.826 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.657 -0.895 -5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.719 0.180 -4.306 1.00 0.00 H new ATOM 1949 N LEU A 130 109.384 2.080 -5.516 1.00 0.00 N ATOM 1950 CA LEU A 130 109.943 3.413 -5.334 1.00 0.00 C ATOM 1951 C LEU A 130 110.491 3.948 -6.654 1.00 0.00 C ATOM 1952 O LEU A 130 110.273 5.107 -7.007 1.00 0.00 O ATOM 1953 CB LEU A 130 111.059 3.359 -4.288 1.00 0.00 C ATOM 1954 CG LEU A 130 111.572 4.771 -4.002 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.496 5.566 -3.260 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.828 4.683 -3.133 1.00 0.00 C ATOM 0 H LEU A 130 109.823 1.352 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 130 109.155 4.084 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.687 2.905 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.875 2.732 -4.646 1.00 0.00 H new ATOM 0 HG LEU A 130 111.808 5.271 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.862 6.572 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.598 5.624 -3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.260 5.069 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.198 5.687 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.587 4.184 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.595 4.115 -3.659 1.00 0.00 H new ATOM 1968 N LEU A 131 111.178 3.086 -7.396 1.00 0.00 N ATOM 1969 CA LEU A 131 111.768 3.496 -8.666 1.00 0.00 C ATOM 1970 C LEU A 131 110.686 3.977 -9.626 1.00 0.00 C ATOM 1971 O LEU A 131 110.842 5.005 -10.282 1.00 0.00 O ATOM 1972 CB LEU A 131 112.531 2.323 -9.287 1.00 0.00 C ATOM 1973 CG LEU A 131 113.245 2.776 -10.565 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.411 3.696 -10.202 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.779 1.550 -11.308 1.00 0.00 C ATOM 0 H LEU A 131 111.339 2.111 -7.145 1.00 0.00 H new ATOM 0 HA LEU A 131 112.460 4.318 -8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.258 1.934 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.841 1.510 -9.515 1.00 0.00 H new ATOM 0 HG LEU A 131 112.543 3.314 -11.202 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.918 4.017 -11.112 1.00 0.00 H new ATOM 0 HD12 LEU A 131 114.034 4.569 -9.669 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.114 3.159 -9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.288 1.869 -12.218 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.481 1.014 -10.669 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.950 0.892 -11.568 1.00 0.00 H new ATOM 1987 N SER A 132 109.576 3.249 -9.682 1.00 0.00 N ATOM 1988 CA SER A 132 108.504 3.590 -10.608 1.00 0.00 C ATOM 1989 C SER A 132 107.988 4.998 -10.334 1.00 0.00 C ATOM 1990 O SER A 132 107.796 5.787 -11.259 1.00 0.00 O ATOM 1991 CB SER A 132 107.356 2.588 -10.471 1.00 0.00 C ATOM 1992 OG SER A 132 106.406 2.824 -11.501 1.00 0.00 O ATOM 0 H SER A 132 109.396 2.428 -9.104 1.00 0.00 H new ATOM 0 HA SER A 132 108.900 3.551 -11.623 1.00 0.00 H new ATOM 0 HB2 SER A 132 107.737 1.569 -10.537 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.884 2.689 -9.494 1.00 0.00 H new ATOM 0 HG SER A 132 105.669 2.184 -11.419 1.00 0.00 H new ATOM 1998 N THR A 133 107.798 5.319 -9.059 1.00 0.00 N ATOM 1999 CA THR A 133 107.263 6.627 -8.694 1.00 0.00 C ATOM 2000 C THR A 133 108.178 7.739 -9.195 1.00 0.00 C ATOM 2001 O THR A 133 107.726 8.698 -9.825 1.00 0.00 O ATOM 2002 CB THR A 133 107.114 6.727 -7.175 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.343 5.630 -6.704 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.413 8.037 -6.812 1.00 0.00 C ATOM 0 H THR A 133 108.002 4.703 -8.272 1.00 0.00 H new ATOM 0 HA THR A 133 106.285 6.741 -9.161 1.00 0.00 H new ATOM 0 HB THR A 133 108.100 6.706 -6.712 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.248 5.691 -5.731 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.308 8.106 -5.729 1.00 0.00 H new ATOM 0 HG22 THR A 133 107.004 8.878 -7.173 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.426 8.062 -7.274 1.00 0.00 H new ATOM 2012 N THR A 134 109.475 7.588 -8.944 1.00 0.00 N ATOM 2013 CA THR A 134 110.430 8.620 -9.334 1.00 0.00 C ATOM 2014 C THR A 134 110.448 8.798 -10.850 1.00 0.00 C ATOM 2015 O THR A 134 110.496 9.922 -11.347 1.00 0.00 O ATOM 2016 CB THR A 134 111.832 8.269 -8.831 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.761 7.941 -7.451 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.755 9.475 -9.022 1.00 0.00 C ATOM 0 H THR A 134 109.884 6.776 -8.481 1.00 0.00 H new ATOM 0 HA THR A 134 110.117 9.560 -8.879 1.00 0.00 H new ATOM 0 HB THR A 134 112.224 7.420 -9.391 1.00 0.00 H new ATOM 0 HG1 THR A 134 111.028 8.440 -7.033 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.755 9.228 -8.665 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.801 9.734 -10.080 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.367 10.323 -8.458 1.00 0.00 H new ATOM 2026 N LEU A 135 110.390 7.692 -11.584 1.00 0.00 N ATOM 2027 CA LEU A 135 110.400 7.754 -13.043 1.00 0.00 C ATOM 2028 C LEU A 135 109.198 8.534 -13.568 1.00 0.00 C ATOM 2029 O LEU A 135 109.311 9.281 -14.540 1.00 0.00 O ATOM 2030 CB LEU A 135 110.391 6.342 -13.633 1.00 0.00 C ATOM 2031 CG LEU A 135 111.697 5.625 -13.277 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.589 4.148 -13.662 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.855 6.262 -14.046 1.00 0.00 C ATOM 0 H LEU A 135 110.336 6.749 -11.198 1.00 0.00 H new ATOM 0 HA LEU A 135 111.310 8.270 -13.349 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.540 5.781 -13.246 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.275 6.391 -14.716 1.00 0.00 H new ATOM 0 HG LEU A 135 111.877 5.712 -12.206 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.518 3.637 -13.409 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.763 3.690 -13.118 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.409 4.064 -14.734 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.784 5.752 -13.793 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.673 6.174 -15.117 1.00 0.00 H new ATOM 0 HD23 LEU A 135 112.934 7.315 -13.777 1.00 0.00 H new ATOM 2045 N ASN A 136 108.045 8.356 -12.927 1.00 0.00 N ATOM 2046 CA ASN A 136 106.841 9.072 -13.337 1.00 0.00 C ATOM 2047 C ASN A 136 107.075 10.577 -13.270 1.00 0.00 C ATOM 2048 O ASN A 136 106.690 11.317 -14.174 1.00 0.00 O ATOM 2049 CB ASN A 136 105.672 8.692 -12.427 1.00 0.00 C ATOM 2050 CG ASN A 136 104.381 9.307 -12.955 1.00 0.00 C ATOM 2051 OD1 ASN A 136 103.886 10.289 -12.398 1.00 0.00 O ATOM 2052 ND2 ASN A 136 103.800 8.788 -14.002 1.00 0.00 N ATOM 0 H ASN A 136 107.920 7.730 -12.131 1.00 0.00 H new ATOM 0 HA ASN A 136 106.602 8.795 -14.364 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.575 7.607 -12.379 1.00 0.00 H new ATOM 0 HB3 ASN A 136 105.862 9.040 -11.412 1.00 0.00 H new ATOM 0 HD21 ASN A 136 102.936 9.195 -14.360 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.210 7.975 -14.462 1.00 0.00 H new ATOM 2059 N LEU A 137 107.709 11.018 -12.190 1.00 0.00 N ATOM 2060 CA LEU A 137 108.045 12.431 -12.040 1.00 0.00 C ATOM 2061 C LEU A 137 109.014 12.880 -13.133 1.00 0.00 C ATOM 2062 O LEU A 137 108.897 13.986 -13.662 1.00 0.00 O ATOM 2063 CB LEU A 137 108.668 12.682 -10.665 1.00 0.00 C ATOM 2064 CG LEU A 137 107.704 12.232 -9.562 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.375 12.408 -8.199 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.429 13.080 -9.605 1.00 0.00 C ATOM 0 H LEU A 137 107.999 10.426 -11.412 1.00 0.00 H new ATOM 0 HA LEU A 137 107.125 13.009 -12.131 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.610 12.140 -10.579 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.898 13.741 -10.549 1.00 0.00 H new ATOM 0 HG LEU A 137 107.448 11.184 -9.718 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.691 12.089 -7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.281 11.804 -8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.631 13.457 -8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.749 12.754 -8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.684 14.129 -9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.946 12.961 -10.575 1.00 0.00 H new ATOM 2078 N CYS A 138 109.967 12.016 -13.467 1.00 0.00 N ATOM 2079 CA CYS A 138 110.907 12.304 -14.550 1.00 0.00 C ATOM 2080 C CYS A 138 110.188 12.509 -15.891 1.00 0.00 C ATOM 2081 O CYS A 138 110.712 13.188 -16.775 1.00 0.00 O ATOM 2082 CB CYS A 138 111.910 11.151 -14.686 1.00 0.00 C ATOM 2083 SG CYS A 138 113.299 11.378 -13.546 1.00 0.00 S ATOM 0 H CYS A 138 110.110 11.116 -13.008 1.00 0.00 H new ATOM 0 HA CYS A 138 111.426 13.229 -14.298 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.413 10.203 -14.479 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.278 11.101 -15.711 1.00 0.00 H new ATOM 2088 N GLY A 139 108.998 11.930 -16.046 1.00 0.00 N ATOM 2089 CA GLY A 139 108.248 12.054 -17.296 1.00 0.00 C ATOM 2090 C GLY A 139 108.293 10.779 -18.146 1.00 0.00 C ATOM 2091 O GLY A 139 107.460 10.604 -19.037 1.00 0.00 O ATOM 0 H GLY A 139 108.535 11.374 -15.327 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.210 12.297 -17.069 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.651 12.885 -17.875 1.00 0.00 H new