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 -62:sc= 1.24 USER MOD Set 1.2: A 66 ASN : amide:sc= 1.07 K(o=2.3,f=-5.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.898 K(o=-0.9,f=-2.5!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -74:sc= 0.454 USER MOD Single : A 77 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-4.8!) 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 -15:sc= 0.027 USER MOD Single : A 101 ASN : amide:sc= -1.5 K(o=-1.5,f=-5.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=-0.21) 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= 0.225 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot -20:sc= -0.743 USER MOD Single : A 136 ASN : amide:sc= -0.429 K(o=-0.43,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 108.918 16.523 -8.266 1.00 0.00 N ATOM 920 CA LYS A 59 109.148 16.174 -6.862 1.00 0.00 C ATOM 921 C LYS A 59 107.909 15.584 -6.186 1.00 0.00 C ATOM 922 O LYS A 59 106.777 15.935 -6.517 1.00 0.00 O ATOM 923 CB LYS A 59 109.571 17.423 -6.082 1.00 0.00 C ATOM 924 CG LYS A 59 110.907 17.943 -6.612 1.00 0.00 C ATOM 925 CD LYS A 59 111.375 19.117 -5.749 1.00 0.00 C ATOM 926 CE LYS A 59 112.647 19.719 -6.348 1.00 0.00 C ATOM 927 NZ LYS A 59 113.338 20.544 -5.318 1.00 0.00 N ATOM 0 HA LYS A 59 109.932 15.416 -6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 59 108.808 18.196 -6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 59 109.658 17.187 -5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 59 111.651 17.147 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 59 110.801 18.260 -7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.593 19.875 -5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 59 111.565 18.779 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 59 113.308 18.926 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.399 20.332 -7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 114.203 20.954 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 112.707 21.309 -5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 113.587 19.946 -4.504 1.00 0.00 H new ATOM 941 N GLN A 60 108.145 14.680 -5.235 1.00 0.00 N ATOM 942 CA GLN A 60 107.094 14.219 -4.326 1.00 0.00 C ATOM 943 C GLN A 60 107.683 13.813 -2.979 1.00 0.00 C ATOM 944 O GLN A 60 108.806 13.316 -2.908 1.00 0.00 O ATOM 945 CB GLN A 60 106.325 13.023 -4.894 1.00 0.00 C ATOM 946 CG GLN A 60 105.377 13.483 -6.000 1.00 0.00 C ATOM 947 CD GLN A 60 104.460 12.332 -6.407 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.859 11.469 -7.187 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.249 12.257 -5.915 1.00 0.00 N ATOM 0 H GLN A 60 109.056 14.251 -5.074 1.00 0.00 H new ATOM 0 HA GLN A 60 106.407 15.056 -4.202 1.00 0.00 H new ATOM 0 HB2 GLN A 60 107.024 12.285 -5.288 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.760 12.534 -4.100 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.783 14.329 -5.654 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.949 13.827 -6.862 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.916 12.972 -5.268 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.638 11.484 -6.179 1.00 0.00 H new ATOM 958 N ASP A 61 106.915 14.017 -1.914 1.00 0.00 N ATOM 959 CA ASP A 61 107.324 13.560 -0.590 1.00 0.00 C ATOM 960 C ASP A 61 106.632 12.239 -0.265 1.00 0.00 C ATOM 961 O ASP A 61 105.407 12.145 -0.341 1.00 0.00 O ATOM 962 CB ASP A 61 106.949 14.604 0.465 1.00 0.00 C ATOM 963 CG ASP A 61 107.650 15.931 0.182 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.741 15.907 -0.364 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.082 16.957 0.519 1.00 0.00 O ATOM 0 H ASP A 61 106.013 14.492 -1.940 1.00 0.00 H new ATOM 0 HA ASP A 61 108.405 13.417 -0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.869 14.751 0.471 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.227 14.244 1.456 1.00 0.00 H new ATOM 970 N ILE A 62 107.408 11.219 0.098 1.00 0.00 N ATOM 971 CA ILE A 62 106.836 9.904 0.388 1.00 0.00 C ATOM 972 C ILE A 62 107.376 9.342 1.703 1.00 0.00 C ATOM 973 O ILE A 62 108.495 9.654 2.109 1.00 0.00 O ATOM 974 CB ILE A 62 107.126 8.945 -0.773 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.442 7.595 -0.516 1.00 0.00 C ATOM 976 CG2 ILE A 62 108.637 8.738 -0.922 1.00 0.00 C ATOM 977 CD1 ILE A 62 106.132 6.880 -1.837 1.00 0.00 C ATOM 0 H ILE A 62 108.422 11.275 0.198 1.00 0.00 H new ATOM 0 HA ILE A 62 105.757 10.013 0.498 1.00 0.00 H new ATOM 0 HB ILE A 62 106.735 9.378 -1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.086 6.967 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 62 105.520 7.750 0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 62 108.831 8.055 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.118 9.696 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.039 8.315 -0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 62 105.648 5.926 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 62 105.468 7.500 -2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 62 107.059 6.705 -2.382 1.00 0.00 H new ATOM 989 N SER A 63 106.582 8.494 2.354 1.00 0.00 N ATOM 990 CA SER A 63 106.957 7.977 3.665 1.00 0.00 C ATOM 991 C SER A 63 106.383 6.583 3.911 1.00 0.00 C ATOM 992 O SER A 63 105.492 6.114 3.198 1.00 0.00 O ATOM 993 CB SER A 63 106.462 8.926 4.756 1.00 0.00 C ATOM 994 OG SER A 63 105.043 8.867 4.817 1.00 0.00 O ATOM 0 H SER A 63 105.687 8.155 2.000 1.00 0.00 H new ATOM 0 HA SER A 63 108.044 7.906 3.692 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.891 8.648 5.719 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.787 9.945 4.544 1.00 0.00 H new ATOM 0 HG SER A 63 104.666 9.160 3.961 1.00 0.00 H new ATOM 1000 N GLU A 64 106.898 5.927 4.945 1.00 0.00 N ATOM 1001 CA GLU A 64 106.423 4.601 5.317 1.00 0.00 C ATOM 1002 C GLU A 64 104.914 4.601 5.558 1.00 0.00 C ATOM 1003 O GLU A 64 104.237 3.628 5.236 1.00 0.00 O ATOM 1004 CB GLU A 64 107.147 4.129 6.582 1.00 0.00 C ATOM 1005 CG GLU A 64 106.895 5.115 7.728 1.00 0.00 C ATOM 1006 CD GLU A 64 107.688 4.745 8.985 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.309 3.692 9.014 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.657 5.530 9.919 1.00 0.00 O ATOM 0 H GLU A 64 107.643 6.292 5.539 1.00 0.00 H new ATOM 0 HA GLU A 64 106.637 3.920 4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.797 3.136 6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.217 4.047 6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.169 6.120 7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.831 5.134 7.963 1.00 0.00 H new ATOM 1015 N ALA A 65 104.385 5.698 6.095 1.00 0.00 N ATOM 1016 CA ALA A 65 102.957 5.774 6.388 1.00 0.00 C ATOM 1017 C ALA A 65 102.134 5.583 5.118 1.00 0.00 C ATOM 1018 O ALA A 65 101.106 4.907 5.130 1.00 0.00 O ATOM 1019 CB ALA A 65 102.623 7.131 7.011 1.00 0.00 C ATOM 0 H ALA A 65 104.916 6.536 6.333 1.00 0.00 H new ATOM 0 HA ALA A 65 102.710 4.978 7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.556 7.180 7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.186 7.255 7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.889 7.926 6.315 1.00 0.00 H new ATOM 1025 N ASN A 66 102.591 6.182 4.023 1.00 0.00 N ATOM 1026 CA ASN A 66 101.865 6.097 2.760 1.00 0.00 C ATOM 1027 C ASN A 66 101.852 4.669 2.221 1.00 0.00 C ATOM 1028 O ASN A 66 100.813 4.163 1.800 1.00 0.00 O ATOM 1029 CB ASN A 66 102.520 7.010 1.722 1.00 0.00 C ATOM 1030 CG ASN A 66 102.589 8.441 2.244 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.654 8.903 2.652 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.511 9.174 2.248 1.00 0.00 N ATOM 0 H ASN A 66 103.452 6.727 3.984 1.00 0.00 H new ATOM 0 HA ASN A 66 100.838 6.411 2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.523 6.651 1.493 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.951 6.982 0.792 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.548 10.134 2.590 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.630 8.787 1.909 1.00 0.00 H new ATOM 1039 N LEU A 67 103.016 4.028 2.232 1.00 0.00 N ATOM 1040 CA LEU A 67 103.156 2.702 1.629 1.00 0.00 C ATOM 1041 C LEU A 67 102.753 1.558 2.565 1.00 0.00 C ATOM 1042 O LEU A 67 102.560 0.432 2.104 1.00 0.00 O ATOM 1043 CB LEU A 67 104.605 2.516 1.153 1.00 0.00 C ATOM 1044 CG LEU A 67 104.783 3.032 -0.283 1.00 0.00 C ATOM 1045 CD1 LEU A 67 104.411 4.516 -0.386 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.245 2.860 -0.701 1.00 0.00 C ATOM 0 H LEU A 67 103.871 4.399 2.647 1.00 0.00 H new ATOM 0 HA LEU A 67 102.466 2.657 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.282 3.048 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.875 1.461 1.200 1.00 0.00 H new ATOM 0 HG LEU A 67 104.126 2.460 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 67 104.546 4.855 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 67 103.370 4.651 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.052 5.099 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.377 3.225 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.886 3.428 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.515 1.805 -0.655 1.00 0.00 H new ATOM 1058 N ALA A 68 102.619 1.824 3.865 1.00 0.00 N ATOM 1059 CA ALA A 68 102.259 0.774 4.820 1.00 0.00 C ATOM 1060 C ALA A 68 103.385 -0.270 4.867 1.00 0.00 C ATOM 1061 O ALA A 68 104.541 0.085 4.641 1.00 0.00 O ATOM 1062 CB ALA A 68 100.902 0.166 4.425 1.00 0.00 C ATOM 0 H ALA A 68 102.753 2.747 4.278 1.00 0.00 H new ATOM 0 HA ALA A 68 102.148 1.183 5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.633 -0.616 5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.138 0.944 4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.972 -0.261 3.425 1.00 0.00 H new ATOM 1068 N TYR A 69 103.079 -1.545 5.126 1.00 0.00 N ATOM 1069 CA TYR A 69 104.121 -2.571 5.217 1.00 0.00 C ATOM 1070 C TYR A 69 104.980 -2.644 3.948 1.00 0.00 C ATOM 1071 O TYR A 69 106.102 -3.150 3.985 1.00 0.00 O ATOM 1072 CB TYR A 69 103.479 -3.936 5.469 1.00 0.00 C ATOM 1073 CG TYR A 69 102.733 -4.017 6.780 1.00 0.00 C ATOM 1074 CD1 TYR A 69 103.434 -4.248 7.970 1.00 0.00 C ATOM 1075 CD2 TYR A 69 101.342 -3.862 6.806 1.00 0.00 C ATOM 1076 CE1 TYR A 69 102.743 -4.324 9.185 1.00 0.00 C ATOM 1077 CE2 TYR A 69 100.651 -3.937 8.021 1.00 0.00 C ATOM 1078 CZ TYR A 69 101.352 -4.169 9.211 1.00 0.00 C ATOM 1079 OH TYR A 69 100.671 -4.244 10.409 1.00 0.00 O ATOM 0 H TYR A 69 102.130 -1.888 5.275 1.00 0.00 H new ATOM 0 HA TYR A 69 104.774 -2.297 6.046 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.791 -4.161 4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 69 104.254 -4.702 5.453 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.507 -4.367 7.950 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.802 -3.684 5.888 1.00 0.00 H new ATOM 0 HE1 TYR A 69 103.283 -4.502 10.103 1.00 0.00 H new ATOM 0 HE2 TYR A 69 99.578 -3.816 8.041 1.00 0.00 H new ATOM 0 HH TYR A 69 99.713 -4.113 10.249 1.00 0.00 H new ATOM 1089 N LEU A 70 104.461 -2.141 2.829 1.00 0.00 N ATOM 1090 CA LEU A 70 105.193 -2.157 1.562 1.00 0.00 C ATOM 1091 C LEU A 70 106.534 -1.420 1.654 1.00 0.00 C ATOM 1092 O LEU A 70 107.443 -1.686 0.866 1.00 0.00 O ATOM 1093 CB LEU A 70 104.341 -1.515 0.464 1.00 0.00 C ATOM 1094 CG LEU A 70 103.005 -2.251 0.335 1.00 0.00 C ATOM 1095 CD1 LEU A 70 102.126 -1.532 -0.689 1.00 0.00 C ATOM 1096 CD2 LEU A 70 103.249 -3.687 -0.134 1.00 0.00 C ATOM 0 H LEU A 70 103.535 -1.717 2.773 1.00 0.00 H new ATOM 0 HA LEU A 70 105.401 -3.200 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 70 104.165 -0.465 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 70 104.875 -1.546 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 70 102.508 -2.265 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.174 -2.055 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 70 101.947 -0.508 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 70 102.629 -1.520 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.295 -4.207 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 70 103.748 -3.673 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 70 103.877 -4.205 0.591 1.00 0.00 H new ATOM 1108 N TRP A 71 106.663 -0.500 2.608 1.00 0.00 N ATOM 1109 CA TRP A 71 107.869 0.309 2.733 1.00 0.00 C ATOM 1110 C TRP A 71 109.107 -0.591 2.866 1.00 0.00 C ATOM 1111 O TRP A 71 109.235 -1.285 3.877 1.00 0.00 O ATOM 1112 CB TRP A 71 107.756 1.178 3.985 1.00 0.00 C ATOM 1113 CG TRP A 71 108.725 2.315 4.012 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.689 2.486 4.943 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.844 3.435 3.086 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.379 3.649 4.662 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.904 4.267 3.521 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.143 3.806 1.927 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.255 5.428 2.827 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.492 4.971 1.228 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.546 5.780 1.674 1.00 0.00 C ATOM 0 H TRP A 71 105.946 -0.298 3.305 1.00 0.00 H new ATOM 0 HA TRP A 71 107.973 0.930 1.843 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.742 1.573 4.053 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.915 0.555 4.865 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.888 1.822 5.771 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.147 4.009 5.229 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.330 3.190 1.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.067 6.048 3.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.944 5.247 0.339 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.810 6.674 1.128 1.00 0.00 H new ATOM 1132 N PRO A 72 110.016 -0.614 1.909 1.00 0.00 N ATOM 1133 CA PRO A 72 111.189 -1.535 1.961 1.00 0.00 C ATOM 1134 C PRO A 72 112.413 -0.948 2.667 1.00 0.00 C ATOM 1135 O PRO A 72 113.361 -1.675 2.960 1.00 0.00 O ATOM 1136 CB PRO A 72 111.491 -1.780 0.484 1.00 0.00 C ATOM 1137 CG PRO A 72 111.131 -0.503 -0.197 1.00 0.00 C ATOM 1138 CD PRO A 72 110.073 0.186 0.669 1.00 0.00 C ATOM 0 HA PRO A 72 110.963 -2.432 2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.542 -2.027 0.331 1.00 0.00 H new ATOM 0 HB3 PRO A 72 110.907 -2.614 0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.009 0.133 -0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 72 110.744 -0.696 -1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.346 1.220 0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.105 0.207 0.168 1.00 0.00 H new ATOM 1146 N LEU A 73 112.414 0.361 2.909 1.00 0.00 N ATOM 1147 CA LEU A 73 113.593 1.021 3.468 1.00 0.00 C ATOM 1148 C LEU A 73 113.542 1.081 4.991 1.00 0.00 C ATOM 1149 O LEU A 73 112.476 1.233 5.589 1.00 0.00 O ATOM 1150 CB LEU A 73 113.711 2.446 2.926 1.00 0.00 C ATOM 1151 CG LEU A 73 113.735 2.437 1.397 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.778 3.883 0.900 1.00 0.00 C ATOM 1153 CD2 LEU A 73 114.976 1.690 0.896 1.00 0.00 C ATOM 0 H LEU A 73 111.623 0.980 2.730 1.00 0.00 H new ATOM 0 HA LEU A 73 114.459 0.430 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.872 3.046 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.619 2.912 3.307 1.00 0.00 H new ATOM 0 HG LEU A 73 112.844 1.934 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.796 3.893 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.895 4.416 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.674 4.372 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 73 114.985 1.689 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.873 2.186 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 73 114.954 0.663 1.260 1.00 0.00 H new ATOM 1165 N THR A 74 114.714 0.957 5.605 1.00 0.00 N ATOM 1166 CA THR A 74 114.846 1.105 7.050 1.00 0.00 C ATOM 1167 C THR A 74 114.602 2.554 7.467 1.00 0.00 C ATOM 1168 O THR A 74 114.012 2.803 8.519 1.00 0.00 O ATOM 1169 CB THR A 74 116.244 0.671 7.497 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.214 1.517 6.896 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.495 -0.779 7.077 1.00 0.00 C ATOM 0 H THR A 74 115.589 0.754 5.122 1.00 0.00 H new ATOM 0 HA THR A 74 114.100 0.471 7.529 1.00 0.00 H new ATOM 0 HB THR A 74 116.317 0.746 8.582 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.306 1.287 5.948 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.491 -1.083 7.397 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.751 -1.426 7.541 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.422 -0.862 5.993 1.00 0.00 H new ATOM 1179 N VAL A 75 115.056 3.506 6.649 1.00 0.00 N ATOM 1180 CA VAL A 75 114.770 4.910 6.922 1.00 0.00 C ATOM 1181 C VAL A 75 113.267 5.117 6.819 1.00 0.00 C ATOM 1182 O VAL A 75 112.646 4.689 5.851 1.00 0.00 O ATOM 1183 CB VAL A 75 115.506 5.836 5.945 1.00 0.00 C ATOM 1184 CG1 VAL A 75 117.011 5.755 6.209 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.230 5.429 4.495 1.00 0.00 C ATOM 0 H VAL A 75 115.611 3.334 5.811 1.00 0.00 H new ATOM 0 HA VAL A 75 115.121 5.160 7.923 1.00 0.00 H new ATOM 0 HB VAL A 75 115.149 6.854 6.097 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.538 6.412 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.218 6.066 7.233 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.351 4.729 6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.763 6.100 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.571 4.406 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.160 5.490 4.297 1.00 0.00 H new ATOM 1195 N ASP A 76 112.679 5.753 7.825 1.00 0.00 N ATOM 1196 CA ASP A 76 111.225 5.785 7.936 1.00 0.00 C ATOM 1197 C ASP A 76 110.571 6.522 6.774 1.00 0.00 C ATOM 1198 O ASP A 76 109.443 6.198 6.406 1.00 0.00 O ATOM 1199 CB ASP A 76 110.809 6.417 9.266 1.00 0.00 C ATOM 1200 CG ASP A 76 111.250 7.878 9.329 1.00 0.00 C ATOM 1201 OD1 ASP A 76 112.266 8.203 8.736 1.00 0.00 O ATOM 1202 OD2 ASP A 76 110.565 8.651 9.977 1.00 0.00 O ATOM 0 H ASP A 76 113.177 6.247 8.566 1.00 0.00 H new ATOM 0 HA ASP A 76 110.876 4.753 7.900 1.00 0.00 H new ATOM 0 HB2 ASP A 76 109.727 6.353 9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 76 111.252 5.862 10.093 1.00 0.00 H new ATOM 1207 N HIS A 77 111.253 7.518 6.213 1.00 0.00 N ATOM 1208 CA HIS A 77 110.715 8.209 5.047 1.00 0.00 C ATOM 1209 C HIS A 77 111.837 8.788 4.202 1.00 0.00 C ATOM 1210 O HIS A 77 113.012 8.642 4.534 1.00 0.00 O ATOM 1211 CB HIS A 77 109.734 9.309 5.462 1.00 0.00 C ATOM 1212 CG HIS A 77 110.342 10.413 6.284 1.00 0.00 C ATOM 1213 ND1 HIS A 77 110.399 10.360 7.667 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.895 11.621 5.933 1.00 0.00 C ATOM 1215 CE1 HIS A 77 110.964 11.501 8.095 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.286 12.306 7.081 1.00 0.00 N ATOM 0 H HIS A 77 112.158 7.858 6.538 1.00 0.00 H new ATOM 0 HA HIS A 77 110.171 7.480 4.447 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.294 9.743 4.564 1.00 0.00 H new ATOM 0 HB3 HIS A 77 108.921 8.857 6.030 1.00 0.00 H new ATOM 0 HD2 HIS A 77 111.009 11.984 4.922 1.00 0.00 H new ATOM 0 HE1 HIS A 77 111.137 11.738 9.134 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.724 13.225 7.135 1.00 0.00 H new ATOM 1224 N GLY A 78 111.464 9.392 3.082 1.00 0.00 N ATOM 1225 CA GLY A 78 112.429 10.015 2.193 1.00 0.00 C ATOM 1226 C GLY A 78 111.705 10.798 1.105 1.00 0.00 C ATOM 1227 O GLY A 78 110.507 10.618 0.877 1.00 0.00 O ATOM 0 H GLY A 78 110.496 9.463 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.081 10.681 2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.065 9.253 1.742 1.00 0.00 H new ATOM 1231 N THR A 79 112.428 11.700 0.459 1.00 0.00 N ATOM 1232 CA THR A 79 111.860 12.491 -0.625 1.00 0.00 C ATOM 1233 C THR A 79 112.434 12.032 -1.959 1.00 0.00 C ATOM 1234 O THR A 79 113.614 11.711 -2.054 1.00 0.00 O ATOM 1235 CB THR A 79 112.179 13.971 -0.408 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.027 14.287 0.968 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.201 14.811 -1.231 1.00 0.00 C ATOM 0 H THR A 79 113.406 11.903 0.665 1.00 0.00 H new ATOM 0 HA THR A 79 110.779 12.354 -0.636 1.00 0.00 H new ATOM 0 HB THR A 79 113.203 14.181 -0.718 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.232 15.235 1.111 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.418 15.869 -1.085 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.306 14.561 -2.287 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.181 14.602 -0.909 1.00 0.00 H new ATOM 1245 N ILE A 80 111.600 12.000 -2.992 1.00 0.00 N ATOM 1246 CA ILE A 80 112.044 11.560 -4.314 1.00 0.00 C ATOM 1247 C ILE A 80 112.111 12.749 -5.264 1.00 0.00 C ATOM 1248 O ILE A 80 111.219 13.598 -5.275 1.00 0.00 O ATOM 1249 CB ILE A 80 111.090 10.493 -4.859 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.658 11.041 -4.904 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.147 9.265 -3.948 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.728 10.010 -5.547 1.00 0.00 C ATOM 0 H ILE A 80 110.618 12.271 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 80 113.040 11.126 -4.229 1.00 0.00 H new ATOM 0 HB ILE A 80 111.390 10.217 -5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.316 11.274 -3.895 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.633 11.971 -5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.471 8.499 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.164 8.874 -3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.847 9.546 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.712 10.404 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 80 109.065 9.799 -6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.743 9.091 -4.961 1.00 0.00 H new ATOM 1264 N GLU A 81 113.182 12.810 -6.051 1.00 0.00 N ATOM 1265 CA GLU A 81 113.407 13.958 -6.922 1.00 0.00 C ATOM 1266 C GLU A 81 113.942 13.541 -8.288 1.00 0.00 C ATOM 1267 O GLU A 81 114.771 12.637 -8.405 1.00 0.00 O ATOM 1268 CB GLU A 81 114.402 14.914 -6.256 1.00 0.00 C ATOM 1269 CG GLU A 81 114.554 16.193 -7.092 1.00 0.00 C ATOM 1270 CD GLU A 81 115.610 17.137 -6.506 1.00 0.00 C ATOM 1271 OE1 GLU A 81 116.228 16.801 -5.505 1.00 0.00 O ATOM 1272 OE2 GLU A 81 115.790 18.200 -7.078 1.00 0.00 O ATOM 0 H GLU A 81 113.899 12.087 -6.103 1.00 0.00 H new ATOM 0 HA GLU A 81 112.448 14.453 -7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 81 114.059 15.166 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 81 115.370 14.425 -6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 81 114.830 15.929 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.595 16.709 -7.144 1.00 0.00 H new ATOM 1279 N CYS A 82 113.441 14.218 -9.316 1.00 0.00 N ATOM 1280 CA CYS A 82 113.983 14.088 -10.663 1.00 0.00 C ATOM 1281 C CYS A 82 114.730 15.369 -11.027 1.00 0.00 C ATOM 1282 O CYS A 82 114.140 16.448 -11.071 1.00 0.00 O ATOM 1283 CB CYS A 82 112.849 13.849 -11.665 1.00 0.00 C ATOM 1284 SG CYS A 82 112.523 12.073 -11.795 1.00 0.00 S ATOM 0 H CYS A 82 112.656 14.865 -9.241 1.00 0.00 H new ATOM 0 HA CYS A 82 114.667 13.240 -10.698 1.00 0.00 H new ATOM 0 HB2 CYS A 82 111.949 14.372 -11.343 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.120 14.252 -12.641 1.00 0.00 H new ATOM 1359 N ALA A 88 117.127 9.905 -11.748 1.00 0.00 N ATOM 1360 CA ALA A 88 116.201 9.726 -10.637 1.00 0.00 C ATOM 1361 C ALA A 88 116.962 9.317 -9.382 1.00 0.00 C ATOM 1362 O ALA A 88 117.673 8.311 -9.382 1.00 0.00 O ATOM 1363 CB ALA A 88 115.169 8.651 -10.980 1.00 0.00 C ATOM 0 HA ALA A 88 115.689 10.671 -10.456 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.482 8.526 -10.143 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.610 8.953 -11.866 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.678 7.707 -11.176 1.00 0.00 H new ATOM 1369 N VAL A 89 116.796 10.087 -8.310 1.00 0.00 N ATOM 1370 CA VAL A 89 117.491 9.795 -7.057 1.00 0.00 C ATOM 1371 C VAL A 89 116.542 9.872 -5.862 1.00 0.00 C ATOM 1372 O VAL A 89 115.493 10.514 -5.915 1.00 0.00 O ATOM 1373 CB VAL A 89 118.641 10.784 -6.849 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.664 10.627 -7.975 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.097 12.215 -6.851 1.00 0.00 C ATOM 0 H VAL A 89 116.193 10.909 -8.282 1.00 0.00 H new ATOM 0 HA VAL A 89 117.882 8.780 -7.126 1.00 0.00 H new ATOM 0 HB VAL A 89 119.121 10.580 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.482 11.332 -7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.056 9.610 -7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.184 10.827 -8.933 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.918 12.917 -6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.613 12.419 -7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.372 12.330 -6.045 1.00 0.00 H new ATOM 1385 N PHE A 90 116.953 9.216 -4.781 1.00 0.00 N ATOM 1386 CA PHE A 90 116.191 9.185 -3.537 1.00 0.00 C ATOM 1387 C PHE A 90 116.960 9.911 -2.435 1.00 0.00 C ATOM 1388 O PHE A 90 118.119 9.600 -2.177 1.00 0.00 O ATOM 1389 CB PHE A 90 115.975 7.722 -3.138 1.00 0.00 C ATOM 1390 CG PHE A 90 115.254 7.516 -1.826 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.871 7.718 -1.739 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.974 7.101 -0.699 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.209 7.504 -0.521 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.313 6.889 0.515 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.931 7.088 0.603 1.00 0.00 C ATOM 0 H PHE A 90 117.826 8.690 -4.743 1.00 0.00 H new ATOM 0 HA PHE A 90 115.231 9.682 -3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.410 7.226 -3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.946 7.229 -3.083 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.315 8.038 -2.608 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.040 6.945 -0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.143 7.660 -0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.869 6.572 1.385 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.421 6.920 1.540 1.00 0.00 H new ATOM 1405 N VAL A 91 116.318 10.874 -1.787 1.00 0.00 N ATOM 1406 CA VAL A 91 116.954 11.621 -0.703 1.00 0.00 C ATOM 1407 C VAL A 91 116.378 11.161 0.629 1.00 0.00 C ATOM 1408 O VAL A 91 115.163 11.128 0.801 1.00 0.00 O ATOM 1409 CB VAL A 91 116.698 13.124 -0.880 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.396 13.941 0.219 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.217 13.576 -2.249 1.00 0.00 C ATOM 0 H VAL A 91 115.360 11.158 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 91 118.028 11.439 -0.723 1.00 0.00 H new ATOM 0 HB VAL A 91 115.624 13.295 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.196 15.002 0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.017 13.637 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.471 13.765 0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.034 14.643 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.287 13.381 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.699 13.026 -3.034 1.00 0.00 H new ATOM 1421 N ALA A 92 117.251 10.831 1.575 1.00 0.00 N ATOM 1422 CA ALA A 92 116.793 10.410 2.899 1.00 0.00 C ATOM 1423 C ALA A 92 116.890 11.567 3.898 1.00 0.00 C ATOM 1424 O ALA A 92 117.687 12.479 3.693 1.00 0.00 O ATOM 1425 CB ALA A 92 117.638 9.236 3.394 1.00 0.00 C ATOM 0 H ALA A 92 118.264 10.845 1.456 1.00 0.00 H new ATOM 0 HA ALA A 92 115.751 10.101 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.291 8.928 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.544 8.401 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.683 9.540 3.456 1.00 0.00 H new ATOM 1431 N PRO A 93 116.114 11.561 4.964 1.00 0.00 N ATOM 1432 CA PRO A 93 116.178 12.652 5.984 1.00 0.00 C ATOM 1433 C PRO A 93 117.602 12.967 6.436 1.00 0.00 C ATOM 1434 O PRO A 93 117.896 14.088 6.850 1.00 0.00 O ATOM 1435 CB PRO A 93 115.352 12.127 7.161 1.00 0.00 C ATOM 1436 CG PRO A 93 114.424 11.114 6.586 1.00 0.00 C ATOM 1437 CD PRO A 93 115.079 10.567 5.320 1.00 0.00 C ATOM 0 HA PRO A 93 115.800 13.587 5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 93 115.994 11.682 7.921 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.800 12.934 7.642 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.240 10.312 7.301 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.458 11.564 6.356 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.519 9.585 5.496 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.351 10.451 4.517 1.00 0.00 H new ATOM 1445 N ASP A 94 118.484 11.978 6.351 1.00 0.00 N ATOM 1446 CA ASP A 94 119.865 12.159 6.792 1.00 0.00 C ATOM 1447 C ASP A 94 120.623 13.209 5.965 1.00 0.00 C ATOM 1448 O ASP A 94 121.707 13.638 6.361 1.00 0.00 O ATOM 1449 CB ASP A 94 120.599 10.811 6.736 1.00 0.00 C ATOM 1450 CG ASP A 94 120.477 10.149 5.359 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.037 10.801 4.427 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.836 8.986 5.251 1.00 0.00 O ATOM 0 H ASP A 94 118.272 11.050 5.985 1.00 0.00 H new ATOM 0 HA ASP A 94 119.835 12.531 7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.652 10.961 6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.192 10.144 7.496 1.00 0.00 H new ATOM 1457 N GLY A 95 120.068 13.624 4.826 1.00 0.00 N ATOM 1458 CA GLY A 95 120.752 14.572 3.942 1.00 0.00 C ATOM 1459 C GLY A 95 121.648 13.880 2.902 1.00 0.00 C ATOM 1460 O GLY A 95 122.422 14.542 2.212 1.00 0.00 O ATOM 0 H GLY A 95 119.152 13.322 4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 95 120.009 15.181 3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.358 15.249 4.543 1.00 0.00 H new ATOM 1464 N THR A 96 121.545 12.556 2.790 1.00 0.00 N ATOM 1465 CA THR A 96 122.338 11.790 1.846 1.00 0.00 C ATOM 1466 C THR A 96 121.501 11.490 0.613 1.00 0.00 C ATOM 1467 O THR A 96 120.314 11.185 0.727 1.00 0.00 O ATOM 1468 CB THR A 96 122.773 10.473 2.495 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.466 10.750 3.703 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.686 9.694 1.546 1.00 0.00 C ATOM 0 H THR A 96 120.909 11.991 3.353 1.00 0.00 H new ATOM 0 HA THR A 96 123.219 12.364 1.561 1.00 0.00 H new ATOM 0 HB THR A 96 121.890 9.871 2.708 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.744 9.908 4.121 1.00 0.00 H new ATOM 0 HG21 THR A 96 123.989 8.759 2.018 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.150 9.477 0.622 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.570 10.290 1.321 1.00 0.00 H new ATOM 1478 N THR A 97 122.116 11.580 -0.560 1.00 0.00 N ATOM 1479 CA THR A 97 121.413 11.269 -1.798 1.00 0.00 C ATOM 1480 C THR A 97 121.862 9.911 -2.326 1.00 0.00 C ATOM 1481 O THR A 97 123.055 9.642 -2.460 1.00 0.00 O ATOM 1482 CB THR A 97 121.696 12.349 -2.844 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.372 13.623 -2.306 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.849 12.090 -4.091 1.00 0.00 C ATOM 0 H THR A 97 123.089 11.862 -0.680 1.00 0.00 H new ATOM 0 HA THR A 97 120.342 11.237 -1.597 1.00 0.00 H new ATOM 0 HB THR A 97 122.752 12.325 -3.114 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.554 14.316 -2.974 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.052 12.860 -4.835 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.098 11.112 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.792 12.113 -3.824 1.00 0.00 H new ATOM 1492 N TYR A 98 120.885 9.067 -2.622 1.00 0.00 N ATOM 1493 CA TYR A 98 121.141 7.741 -3.163 1.00 0.00 C ATOM 1494 C TYR A 98 120.598 7.672 -4.587 1.00 0.00 C ATOM 1495 O TYR A 98 119.620 8.342 -4.908 1.00 0.00 O ATOM 1496 CB TYR A 98 120.436 6.688 -2.304 1.00 0.00 C ATOM 1497 CG TYR A 98 120.837 6.693 -0.845 1.00 0.00 C ATOM 1498 CD1 TYR A 98 120.132 7.484 0.072 1.00 0.00 C ATOM 1499 CD2 TYR A 98 121.904 5.900 -0.403 1.00 0.00 C ATOM 1500 CE1 TYR A 98 120.494 7.483 1.425 1.00 0.00 C ATOM 1501 CE2 TYR A 98 122.265 5.900 0.950 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.559 6.691 1.867 1.00 0.00 C ATOM 1503 OH TYR A 98 121.916 6.690 3.201 1.00 0.00 O ATOM 0 H TYR A 98 119.896 9.281 -2.494 1.00 0.00 H new ATOM 0 HA TYR A 98 122.214 7.548 -3.163 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.359 6.845 -2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.642 5.702 -2.720 1.00 0.00 H new ATOM 0 HD1 TYR A 98 119.308 8.095 -0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 98 122.449 5.288 -1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 98 119.950 8.095 2.129 1.00 0.00 H new ATOM 0 HE2 TYR A 98 123.089 5.289 1.288 1.00 0.00 H new ATOM 0 HH TYR A 98 121.497 7.453 3.652 1.00 0.00 H new ATOM 1513 N ALA A 99 121.223 6.866 -5.435 1.00 0.00 N ATOM 1514 CA ALA A 99 120.788 6.746 -6.822 1.00 0.00 C ATOM 1515 C ALA A 99 119.705 5.679 -6.958 1.00 0.00 C ATOM 1516 O ALA A 99 119.870 4.553 -6.490 1.00 0.00 O ATOM 1517 CB ALA A 99 121.987 6.386 -7.706 1.00 0.00 C ATOM 0 H ALA A 99 122.028 6.289 -5.190 1.00 0.00 H new ATOM 0 HA ALA A 99 120.372 7.701 -7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.661 6.296 -8.742 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.743 7.167 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.411 5.438 -7.376 1.00 0.00 H new ATOM 1523 N LEU A 100 118.598 6.042 -7.599 1.00 0.00 N ATOM 1524 CA LEU A 100 117.505 5.100 -7.807 1.00 0.00 C ATOM 1525 C LEU A 100 117.709 4.326 -9.103 1.00 0.00 C ATOM 1526 O LEU A 100 117.668 3.096 -9.117 1.00 0.00 O ATOM 1527 CB LEU A 100 116.168 5.837 -7.886 1.00 0.00 C ATOM 1528 CG LEU A 100 115.725 6.287 -6.495 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.690 7.404 -6.641 1.00 0.00 C ATOM 1530 CD2 LEU A 100 115.089 5.103 -5.763 1.00 0.00 C ATOM 0 H LEU A 100 118.435 6.974 -7.980 1.00 0.00 H new ATOM 0 HA LEU A 100 117.495 4.411 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.261 6.702 -8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.411 5.185 -8.322 1.00 0.00 H new ATOM 0 HG LEU A 100 116.584 6.649 -5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.367 7.732 -5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.134 8.244 -7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.830 7.033 -7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.771 5.418 -4.769 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.225 4.749 -6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.818 4.297 -5.672 1.00 0.00 H new ATOM 1542 N ASN A 101 117.930 5.060 -10.193 1.00 0.00 N ATOM 1543 CA ASN A 101 118.020 4.434 -11.515 1.00 0.00 C ATOM 1544 C ASN A 101 119.465 4.318 -12.002 1.00 0.00 C ATOM 1545 O ASN A 101 120.385 4.919 -11.446 1.00 0.00 O ATOM 1546 CB ASN A 101 117.163 5.209 -12.526 1.00 0.00 C ATOM 1547 CG ASN A 101 117.754 6.581 -12.840 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.799 6.953 -12.308 1.00 0.00 O ATOM 1549 ND2 ASN A 101 117.142 7.361 -13.687 1.00 0.00 N ATOM 0 H ASN A 101 118.049 6.073 -10.191 1.00 0.00 H new ATOM 0 HA ASN A 101 117.634 3.418 -11.426 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.077 4.632 -13.447 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.155 5.330 -12.130 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.530 8.278 -13.908 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.275 7.054 -14.129 1.00 0.00 H new ATOM 1556 N ASP A 102 119.648 3.535 -13.060 1.00 0.00 N ATOM 1557 CA ASP A 102 120.983 3.211 -13.550 1.00 0.00 C ATOM 1558 C ASP A 102 121.801 4.462 -13.854 1.00 0.00 C ATOM 1559 O ASP A 102 122.994 4.510 -13.560 1.00 0.00 O ATOM 1560 CB ASP A 102 120.875 2.355 -14.815 1.00 0.00 C ATOM 1561 CG ASP A 102 122.240 1.785 -15.194 1.00 0.00 C ATOM 1562 OD1 ASP A 102 123.036 1.542 -14.300 1.00 0.00 O ATOM 1563 OD2 ASP A 102 122.470 1.598 -16.377 1.00 0.00 O ATOM 0 H ASP A 102 118.889 3.113 -13.595 1.00 0.00 H new ATOM 0 HA ASP A 102 121.496 2.659 -12.763 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.168 1.542 -14.652 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.485 2.957 -15.636 1.00 0.00 H new ATOM 1568 N ARG A 103 121.168 5.474 -14.441 1.00 0.00 N ATOM 1569 CA ARG A 103 121.895 6.673 -14.848 1.00 0.00 C ATOM 1570 C ARG A 103 122.500 7.387 -13.640 1.00 0.00 C ATOM 1571 O ARG A 103 123.653 7.820 -13.679 1.00 0.00 O ATOM 1572 CB ARG A 103 120.967 7.604 -15.630 1.00 0.00 C ATOM 1573 CG ARG A 103 120.594 6.923 -16.950 1.00 0.00 C ATOM 1574 CD ARG A 103 119.767 7.870 -17.820 1.00 0.00 C ATOM 1575 NE ARG A 103 118.548 8.280 -17.116 1.00 0.00 N ATOM 1576 CZ ARG A 103 117.493 7.475 -16.933 1.00 0.00 C ATOM 1577 NH1 ARG A 103 117.476 6.232 -17.351 1.00 0.00 N ATOM 1578 NH2 ARG A 103 116.450 7.955 -16.317 1.00 0.00 N ATOM 0 H ARG A 103 120.168 5.489 -14.643 1.00 0.00 H new ATOM 0 HA ARG A 103 122.719 6.377 -15.497 1.00 0.00 H new ATOM 0 HB2 ARG A 103 120.070 7.820 -15.049 1.00 0.00 H new ATOM 0 HB3 ARG A 103 121.460 8.557 -15.822 1.00 0.00 H new ATOM 0 HG2 ARG A 103 121.498 6.626 -17.482 1.00 0.00 H new ATOM 0 HG3 ARG A 103 120.028 6.013 -16.751 1.00 0.00 H new ATOM 0 HD2 ARG A 103 120.359 8.749 -18.076 1.00 0.00 H new ATOM 0 HD3 ARG A 103 119.505 7.378 -18.757 1.00 0.00 H new ATOM 0 HE ARG A 103 118.501 9.229 -16.746 1.00 0.00 H new ATOM 0 HH11 ARG A 103 118.286 5.846 -17.835 1.00 0.00 H new ATOM 0 HH12 ARG A 103 116.652 5.652 -17.192 1.00 0.00 H new ATOM 0 HH21 ARG A 103 116.451 8.921 -15.988 1.00 0.00 H new ATOM 0 HH22 ARG A 103 115.632 7.365 -16.163 1.00 0.00 H new ATOM 1592 N ALA A 104 121.742 7.474 -12.553 1.00 0.00 N ATOM 1593 CA ALA A 104 122.254 8.073 -11.323 1.00 0.00 C ATOM 1594 C ALA A 104 123.462 7.295 -10.797 1.00 0.00 C ATOM 1595 O ALA A 104 124.397 7.880 -10.243 1.00 0.00 O ATOM 1596 CB ALA A 104 121.152 8.104 -10.264 1.00 0.00 C ATOM 0 H ALA A 104 120.779 7.141 -12.496 1.00 0.00 H new ATOM 0 HA ALA A 104 122.574 9.091 -11.544 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.539 8.552 -9.349 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.312 8.695 -10.630 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.817 7.087 -10.057 1.00 0.00 H new ATOM 1602 N GLU A 105 123.432 5.972 -10.944 1.00 0.00 N ATOM 1603 CA GLU A 105 124.573 5.150 -10.550 1.00 0.00 C ATOM 1604 C GLU A 105 125.799 5.508 -11.388 1.00 0.00 C ATOM 1605 O GLU A 105 126.906 5.626 -10.865 1.00 0.00 O ATOM 1606 CB GLU A 105 124.246 3.664 -10.724 1.00 0.00 C ATOM 1607 CG GLU A 105 123.085 3.281 -9.801 1.00 0.00 C ATOM 1608 CD GLU A 105 123.451 3.479 -8.327 1.00 0.00 C ATOM 1609 OE1 GLU A 105 124.629 3.575 -8.016 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.536 3.534 -7.523 1.00 0.00 O ATOM 0 H GLU A 105 122.642 5.453 -11.327 1.00 0.00 H new ATOM 0 HA GLU A 105 124.790 5.345 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 105 123.982 3.459 -11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.123 3.059 -10.492 1.00 0.00 H new ATOM 0 HG2 GLU A 105 122.211 3.885 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 105 122.811 2.240 -9.972 1.00 0.00 H new ATOM 1617 N LYS A 106 125.593 5.720 -12.683 1.00 0.00 N ATOM 1618 CA LYS A 106 126.684 6.137 -13.565 1.00 0.00 C ATOM 1619 C LYS A 106 127.298 7.461 -13.104 1.00 0.00 C ATOM 1620 O LYS A 106 128.500 7.680 -13.248 1.00 0.00 O ATOM 1621 CB LYS A 106 126.169 6.288 -14.998 1.00 0.00 C ATOM 1622 CG LYS A 106 125.712 4.928 -15.527 1.00 0.00 C ATOM 1623 CD LYS A 106 125.299 5.063 -16.994 1.00 0.00 C ATOM 1624 CE LYS A 106 124.731 3.733 -17.491 1.00 0.00 C ATOM 1625 NZ LYS A 106 124.789 3.695 -18.980 1.00 0.00 N ATOM 0 H LYS A 106 124.690 5.612 -13.145 1.00 0.00 H new ATOM 0 HA LYS A 106 127.455 5.368 -13.528 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.341 6.996 -15.024 1.00 0.00 H new ATOM 0 HB3 LYS A 106 126.955 6.692 -15.636 1.00 0.00 H new ATOM 0 HG2 LYS A 106 126.517 4.199 -15.430 1.00 0.00 H new ATOM 0 HG3 LYS A 106 124.875 4.558 -14.935 1.00 0.00 H new ATOM 0 HD2 LYS A 106 124.554 5.851 -17.102 1.00 0.00 H new ATOM 0 HD3 LYS A 106 126.158 5.352 -17.599 1.00 0.00 H new ATOM 0 HE2 LYS A 106 125.300 2.903 -17.073 1.00 0.00 H new ATOM 0 HE3 LYS A 106 123.701 3.616 -17.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 124.403 2.791 -19.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 124.228 4.479 -19.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 125.777 3.788 -19.291 1.00 0.00 H new ATOM 1639 N ALA A 107 126.466 8.339 -12.549 1.00 0.00 N ATOM 1640 CA ALA A 107 126.932 9.624 -12.021 1.00 0.00 C ATOM 1641 C ALA A 107 127.757 9.482 -10.731 1.00 0.00 C ATOM 1642 O ALA A 107 128.229 10.482 -10.190 1.00 0.00 O ATOM 1643 CB ALA A 107 125.730 10.530 -11.748 1.00 0.00 C ATOM 0 H ALA A 107 125.462 8.186 -12.452 1.00 0.00 H new ATOM 0 HA ALA A 107 127.585 10.058 -12.778 1.00 0.00 H new ATOM 0 HB1 ALA A 107 126.077 11.486 -11.355 1.00 0.00 H new ATOM 0 HB2 ALA A 107 125.182 10.696 -12.675 1.00 0.00 H new ATOM 0 HB3 ALA A 107 125.074 10.054 -11.019 1.00 0.00 H new ATOM 1649 N GLY A 108 127.934 8.257 -10.238 1.00 0.00 N ATOM 1650 CA GLY A 108 128.736 8.023 -9.042 1.00 0.00 C ATOM 1651 C GLY A 108 127.989 8.343 -7.747 1.00 0.00 C ATOM 1652 O GLY A 108 128.620 8.614 -6.724 1.00 0.00 O ATOM 0 H GLY A 108 127.533 7.414 -10.649 1.00 0.00 H new ATOM 0 HA2 GLY A 108 129.054 6.980 -9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.639 8.631 -9.093 1.00 0.00 H new ATOM 1656 N HIS A 109 126.656 8.314 -7.781 1.00 0.00 N ATOM 1657 CA HIS A 109 125.877 8.460 -6.557 1.00 0.00 C ATOM 1658 C HIS A 109 125.778 7.101 -5.856 1.00 0.00 C ATOM 1659 O HIS A 109 125.663 6.082 -6.539 1.00 0.00 O ATOM 1660 CB HIS A 109 124.477 8.979 -6.884 1.00 0.00 C ATOM 1661 CG HIS A 109 124.413 10.474 -7.041 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.884 11.340 -6.066 1.00 0.00 N ATOM 1663 CD2 HIS A 109 123.940 11.273 -8.053 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.685 12.595 -6.506 1.00 0.00 C ATOM 1665 NE2 HIS A 109 124.113 12.612 -7.713 1.00 0.00 N ATOM 0 H HIS A 109 126.103 8.193 -8.629 1.00 0.00 H new ATOM 0 HA HIS A 109 126.370 9.175 -5.899 1.00 0.00 H new ATOM 0 HB2 HIS A 109 124.130 8.510 -7.805 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.791 8.675 -6.093 1.00 0.00 H new ATOM 0 HD2 HIS A 109 123.501 10.917 -8.973 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.955 13.481 -5.951 1.00 0.00 H new ATOM 0 HE2 HIS A 109 123.858 13.430 -8.266 1.00 0.00 H new ATOM 1673 N PRO A 110 125.813 7.043 -4.540 1.00 0.00 N ATOM 1674 CA PRO A 110 125.789 5.731 -3.820 1.00 0.00 C ATOM 1675 C PRO A 110 124.413 5.064 -3.920 1.00 0.00 C ATOM 1676 O PRO A 110 123.410 5.770 -3.987 1.00 0.00 O ATOM 1677 CB PRO A 110 126.119 6.090 -2.372 1.00 0.00 C ATOM 1678 CG PRO A 110 125.687 7.507 -2.210 1.00 0.00 C ATOM 1679 CD PRO A 110 125.838 8.167 -3.581 1.00 0.00 C ATOM 0 HA PRO A 110 126.493 5.016 -4.245 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.594 5.437 -1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.185 5.978 -2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 110 124.654 7.561 -1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 110 126.298 8.016 -1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.028 8.871 -3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 110 126.770 8.727 -3.651 1.00 0.00 H new ATOM 1687 N PRO A 111 124.326 3.749 -3.949 1.00 0.00 N ATOM 1688 CA PRO A 111 123.003 3.059 -4.063 1.00 0.00 C ATOM 1689 C PRO A 111 122.240 3.020 -2.739 1.00 0.00 C ATOM 1690 O PRO A 111 122.840 3.084 -1.665 1.00 0.00 O ATOM 1691 CB PRO A 111 123.364 1.649 -4.534 1.00 0.00 C ATOM 1692 CG PRO A 111 124.755 1.406 -4.054 1.00 0.00 C ATOM 1693 CD PRO A 111 125.427 2.768 -3.887 1.00 0.00 C ATOM 0 HA PRO A 111 122.334 3.583 -4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.674 0.911 -4.125 1.00 0.00 H new ATOM 0 HB3 PRO A 111 123.306 1.572 -5.620 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.745 0.865 -3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 111 125.305 0.792 -4.767 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.959 2.832 -2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 111 126.159 2.946 -4.675 1.00 0.00 H new ATOM 1701 N ILE A 112 120.914 2.920 -2.823 1.00 0.00 N ATOM 1702 CA ILE A 112 120.078 2.851 -1.623 1.00 0.00 C ATOM 1703 C ILE A 112 120.380 1.600 -0.781 1.00 0.00 C ATOM 1704 O ILE A 112 120.037 1.578 0.398 1.00 0.00 O ATOM 1705 CB ILE A 112 118.582 2.907 -2.009 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.297 4.250 -2.691 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.684 2.794 -0.764 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.860 4.295 -3.224 1.00 0.00 C ATOM 0 H ILE A 112 120.398 2.885 -3.702 1.00 0.00 H new ATOM 0 HA ILE A 112 120.315 3.717 -1.004 1.00 0.00 H new ATOM 0 HB ILE A 112 118.366 2.073 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.453 5.063 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.999 4.403 -3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.637 2.836 -1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.879 1.847 -0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.899 3.618 -0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.680 5.257 -3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.716 3.495 -3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.161 4.165 -2.398 1.00 0.00 H new ATOM 1720 N THR A 113 121.055 0.595 -1.346 1.00 0.00 N ATOM 1721 CA THR A 113 121.216 -0.694 -0.668 1.00 0.00 C ATOM 1722 C THR A 113 121.590 -0.617 0.825 1.00 0.00 C ATOM 1723 O THR A 113 121.039 -1.415 1.585 1.00 0.00 O ATOM 1724 CB THR A 113 122.162 -1.626 -1.450 1.00 0.00 C ATOM 1725 OG1 THR A 113 121.900 -2.968 -1.067 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.644 -1.325 -1.199 1.00 0.00 C ATOM 0 H THR A 113 121.496 0.648 -2.264 1.00 0.00 H new ATOM 0 HA THR A 113 120.217 -1.129 -0.666 1.00 0.00 H new ATOM 0 HB THR A 113 121.972 -1.464 -2.511 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.495 -3.571 -1.559 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.258 -2.015 -1.778 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.864 -0.301 -1.502 1.00 0.00 H new ATOM 0 HG23 THR A 113 123.865 -1.445 -0.138 1.00 0.00 H new ATOM 1734 N PRO A 114 122.434 0.289 1.300 1.00 0.00 N ATOM 1735 CA PRO A 114 122.829 0.286 2.749 1.00 0.00 C ATOM 1736 C PRO A 114 121.624 0.438 3.676 1.00 0.00 C ATOM 1737 O PRO A 114 121.616 -0.093 4.787 1.00 0.00 O ATOM 1738 CB PRO A 114 123.797 1.465 2.900 1.00 0.00 C ATOM 1739 CG PRO A 114 124.260 1.767 1.519 1.00 0.00 C ATOM 1740 CD PRO A 114 123.082 1.427 0.614 1.00 0.00 C ATOM 0 HA PRO A 114 123.287 -0.662 3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.301 2.327 3.347 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.634 1.207 3.549 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.542 2.815 1.420 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.138 1.175 1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.401 2.272 0.508 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.412 1.156 -0.389 1.00 0.00 H new ATOM 1748 N ILE A 115 120.609 1.165 3.218 1.00 0.00 N ATOM 1749 CA ILE A 115 119.375 1.338 3.995 1.00 0.00 C ATOM 1750 C ILE A 115 118.251 0.385 3.565 1.00 0.00 C ATOM 1751 O ILE A 115 117.148 0.476 4.095 1.00 0.00 O ATOM 1752 CB ILE A 115 118.855 2.783 3.909 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.810 3.266 2.449 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.749 3.711 4.735 1.00 0.00 C ATOM 1755 CD1 ILE A 115 118.052 4.595 2.341 1.00 0.00 C ATOM 0 H ILE A 115 120.611 1.644 2.317 1.00 0.00 H new ATOM 0 HA ILE A 115 119.648 1.099 5.023 1.00 0.00 H new ATOM 0 HB ILE A 115 117.842 2.805 4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.825 3.388 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.326 2.514 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.373 4.732 4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.743 3.389 5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.768 3.673 4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 115 118.032 4.919 1.300 1.00 0.00 H new ATOM 0 HD12 ILE A 115 117.031 4.462 2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.553 5.350 2.946 1.00 0.00 H new ATOM 1767 N ARG A 116 118.511 -0.519 2.621 1.00 0.00 N ATOM 1768 CA ARG A 116 117.480 -1.437 2.145 1.00 0.00 C ATOM 1769 C ARG A 116 117.278 -2.576 3.142 1.00 0.00 C ATOM 1770 O ARG A 116 118.242 -3.147 3.652 1.00 0.00 O ATOM 1771 CB ARG A 116 117.895 -1.995 0.782 1.00 0.00 C ATOM 1772 CG ARG A 116 116.718 -2.733 0.139 1.00 0.00 C ATOM 1773 CD ARG A 116 117.097 -3.142 -1.286 1.00 0.00 C ATOM 1774 NE ARG A 116 118.123 -4.187 -1.259 1.00 0.00 N ATOM 1775 CZ ARG A 116 119.017 -4.373 -2.242 1.00 0.00 C ATOM 1776 NH1 ARG A 116 119.038 -3.627 -3.320 1.00 0.00 N ATOM 1777 NH2 ARG A 116 119.895 -5.333 -2.123 1.00 0.00 N ATOM 0 H ARG A 116 119.421 -0.634 2.174 1.00 0.00 H new ATOM 0 HA ARG A 116 116.537 -0.899 2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.225 -1.184 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.740 -2.673 0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.461 -3.614 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 116 115.836 -2.092 0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 116 116.215 -3.503 -1.815 1.00 0.00 H new ATOM 0 HD3 ARG A 116 117.465 -2.275 -1.835 1.00 0.00 H new ATOM 0 HE ARG A 116 118.160 -4.806 -0.450 1.00 0.00 H new ATOM 0 HH11 ARG A 116 118.359 -2.874 -3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 116 119.734 -3.799 -4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 116 119.893 -5.926 -1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 116 120.582 -5.490 -2.860 1.00 0.00 H new ATOM 1791 N ALA A 117 116.017 -2.899 3.414 1.00 0.00 N ATOM 1792 CA ALA A 117 115.684 -3.907 4.414 1.00 0.00 C ATOM 1793 C ALA A 117 115.886 -5.322 3.883 1.00 0.00 C ATOM 1794 O ALA A 117 115.665 -5.598 2.704 1.00 0.00 O ATOM 1795 CB ALA A 117 114.224 -3.741 4.836 1.00 0.00 C ATOM 0 H ALA A 117 115.209 -2.477 2.956 1.00 0.00 H new ATOM 0 HA ALA A 117 116.351 -3.763 5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 117 113.973 -4.494 5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.078 -2.747 5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.578 -3.864 3.967 1.00 0.00 H new ATOM 1883 N ILE A 125 114.459 -6.918 0.027 1.00 0.00 N ATOM 1884 CA ILE A 125 113.169 -6.411 -0.427 1.00 0.00 C ATOM 1885 C ILE A 125 113.360 -5.437 -1.590 1.00 0.00 C ATOM 1886 O ILE A 125 114.162 -4.507 -1.512 1.00 0.00 O ATOM 1887 CB ILE A 125 112.450 -5.743 0.754 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.221 -6.784 1.857 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.093 -5.187 0.311 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.859 -6.093 3.175 1.00 0.00 C ATOM 0 HA ILE A 125 112.554 -7.234 -0.790 1.00 0.00 H new ATOM 0 HB ILE A 125 113.068 -4.925 1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.421 -7.464 1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.120 -7.387 1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.597 -4.717 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.242 -4.448 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.473 -6.000 -0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.699 -6.845 3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.672 -5.432 3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 125 110.947 -5.510 3.042 1.00 0.00 H new ATOM 1902 N SER A 126 112.604 -5.662 -2.661 1.00 0.00 N ATOM 1903 CA SER A 126 112.755 -4.884 -3.888 1.00 0.00 C ATOM 1904 C SER A 126 112.386 -3.420 -3.688 1.00 0.00 C ATOM 1905 O SER A 126 111.426 -3.091 -2.992 1.00 0.00 O ATOM 1906 CB SER A 126 111.869 -5.481 -4.982 1.00 0.00 C ATOM 1907 OG SER A 126 112.242 -6.835 -5.199 1.00 0.00 O ATOM 0 H SER A 126 111.879 -6.378 -2.704 1.00 0.00 H new ATOM 0 HA SER A 126 113.805 -4.927 -4.178 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.821 -5.423 -4.690 1.00 0.00 H new ATOM 0 HB3 SER A 126 111.975 -4.910 -5.904 1.00 0.00 H new ATOM 0 HG SER A 126 111.675 -7.222 -5.898 1.00 0.00 H new ATOM 1913 N LEU A 127 113.171 -2.549 -4.315 1.00 0.00 N ATOM 1914 CA LEU A 127 112.847 -1.123 -4.373 1.00 0.00 C ATOM 1915 C LEU A 127 112.104 -0.750 -5.669 1.00 0.00 C ATOM 1916 O LEU A 127 111.923 0.433 -5.958 1.00 0.00 O ATOM 1917 CB LEU A 127 114.133 -0.291 -4.289 1.00 0.00 C ATOM 1918 CG LEU A 127 114.927 -0.655 -3.030 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.238 0.132 -3.012 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.111 -0.300 -1.785 1.00 0.00 C ATOM 0 H LEU A 127 114.037 -2.803 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 127 112.194 -0.908 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.744 -0.465 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.886 0.771 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 127 115.138 -1.724 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.805 -0.125 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.824 -0.117 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.021 1.200 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.679 -0.560 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 127 113.899 0.769 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.173 -0.856 -1.794 1.00 0.00 H new ATOM 1932 N GLY A 128 111.677 -1.740 -6.455 1.00 0.00 N ATOM 1933 CA GLY A 128 111.068 -1.477 -7.757 1.00 0.00 C ATOM 1934 C GLY A 128 109.972 -0.415 -7.690 1.00 0.00 C ATOM 1935 O GLY A 128 109.925 0.484 -8.530 1.00 0.00 O ATOM 0 H GLY A 128 111.742 -2.729 -6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.839 -1.154 -8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.648 -2.403 -8.151 1.00 0.00 H new ATOM 1939 N ALA A 129 109.107 -0.499 -6.683 1.00 0.00 N ATOM 1940 CA ALA A 129 107.988 0.434 -6.578 1.00 0.00 C ATOM 1941 C ALA A 129 108.492 1.872 -6.491 1.00 0.00 C ATOM 1942 O ALA A 129 108.024 2.753 -7.216 1.00 0.00 O ATOM 1943 CB ALA A 129 107.151 0.109 -5.341 1.00 0.00 C ATOM 0 H ALA A 129 109.157 -1.193 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 129 107.371 0.332 -7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.319 0.809 -5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.764 -0.907 -5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.772 0.192 -4.449 1.00 0.00 H new ATOM 1949 N LEU A 130 109.470 2.100 -5.623 1.00 0.00 N ATOM 1950 CA LEU A 130 110.006 3.441 -5.432 1.00 0.00 C ATOM 1951 C LEU A 130 110.568 3.984 -6.743 1.00 0.00 C ATOM 1952 O LEU A 130 110.347 5.143 -7.098 1.00 0.00 O ATOM 1953 CB LEU A 130 111.104 3.402 -4.368 1.00 0.00 C ATOM 1954 CG LEU A 130 111.588 4.821 -4.070 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.482 5.600 -3.358 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.823 4.753 -3.171 1.00 0.00 C ATOM 0 H LEU A 130 109.905 1.381 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 130 109.203 4.101 -5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.724 2.939 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.936 2.789 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 130 111.841 5.324 -5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.828 6.612 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.600 5.645 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.229 5.100 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.172 5.763 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.567 4.251 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.612 4.197 -3.678 1.00 0.00 H new ATOM 1968 N LEU A 131 111.272 3.129 -7.477 1.00 0.00 N ATOM 1969 CA LEU A 131 111.876 3.542 -8.737 1.00 0.00 C ATOM 1970 C LEU A 131 110.805 4.020 -9.711 1.00 0.00 C ATOM 1971 O LEU A 131 110.955 5.063 -10.344 1.00 0.00 O ATOM 1972 CB LEU A 131 112.649 2.367 -9.347 1.00 0.00 C ATOM 1973 CG LEU A 131 113.360 2.803 -10.632 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.525 3.731 -10.289 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.896 1.567 -11.359 1.00 0.00 C ATOM 0 H LEU A 131 111.437 2.155 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 131 112.562 4.367 -8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.379 1.992 -8.629 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.965 1.547 -9.563 1.00 0.00 H new ATOM 0 HG LEU A 131 112.654 3.331 -11.273 1.00 0.00 H new ATOM 0 HD11 LEU A 131 115.028 4.038 -11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 131 114.148 4.612 -9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.232 3.206 -9.647 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.403 1.874 -12.274 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.600 1.042 -10.713 1.00 0.00 H new ATOM 0 HD23 LEU A 131 113.068 0.904 -11.608 1.00 0.00 H new ATOM 1987 N SER A 132 109.711 3.274 -9.800 1.00 0.00 N ATOM 1988 CA SER A 132 108.653 3.611 -10.744 1.00 0.00 C ATOM 1989 C SER A 132 108.107 5.005 -10.463 1.00 0.00 C ATOM 1990 O SER A 132 107.901 5.797 -11.382 1.00 0.00 O ATOM 1991 CB SER A 132 107.520 2.587 -10.651 1.00 0.00 C ATOM 1992 OG SER A 132 108.053 1.284 -10.841 1.00 0.00 O ATOM 0 H SER A 132 109.534 2.442 -9.238 1.00 0.00 H new ATOM 0 HA SER A 132 109.073 3.595 -11.750 1.00 0.00 H new ATOM 0 HB2 SER A 132 107.031 2.655 -9.679 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.761 2.796 -11.405 1.00 0.00 H new ATOM 0 HG SER A 132 108.513 0.996 -10.025 1.00 0.00 H new ATOM 1998 N THR A 133 107.908 5.315 -9.186 1.00 0.00 N ATOM 1999 CA THR A 133 107.347 6.608 -8.812 1.00 0.00 C ATOM 2000 C THR A 133 108.248 7.743 -9.288 1.00 0.00 C ATOM 2001 O THR A 133 107.784 8.698 -9.917 1.00 0.00 O ATOM 2002 CB THR A 133 107.179 6.685 -7.293 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.421 5.569 -6.846 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.451 7.979 -6.921 1.00 0.00 C ATOM 0 H THR A 133 108.123 4.698 -8.403 1.00 0.00 H new ATOM 0 HA THR A 133 106.373 6.712 -9.289 1.00 0.00 H new ATOM 0 HB THR A 133 108.160 6.674 -6.818 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.313 5.615 -5.873 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.333 8.032 -5.839 1.00 0.00 H new ATOM 0 HG22 THR A 133 107.032 8.835 -7.264 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.469 7.993 -7.395 1.00 0.00 H new ATOM 2012 N THR A 134 109.544 7.619 -9.018 1.00 0.00 N ATOM 2013 CA THR A 134 110.481 8.678 -9.382 1.00 0.00 C ATOM 2014 C THR A 134 110.520 8.868 -10.896 1.00 0.00 C ATOM 2015 O THR A 134 110.563 9.996 -11.385 1.00 0.00 O ATOM 2016 CB THR A 134 111.881 8.361 -8.856 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.793 8.018 -7.480 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.775 9.594 -9.015 1.00 0.00 C ATOM 0 H THR A 134 109.964 6.812 -8.557 1.00 0.00 H new ATOM 0 HA THR A 134 110.137 9.606 -8.925 1.00 0.00 H new ATOM 0 HB THR A 134 112.306 7.529 -9.418 1.00 0.00 H new ATOM 0 HG1 THR A 134 110.953 8.362 -7.110 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.774 9.370 -8.640 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.835 9.866 -10.069 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.353 10.425 -8.449 1.00 0.00 H new ATOM 2026 N LEU A 135 110.485 7.766 -11.642 1.00 0.00 N ATOM 2027 CA LEU A 135 110.513 7.842 -13.099 1.00 0.00 C ATOM 2028 C LEU A 135 109.312 8.619 -13.628 1.00 0.00 C ATOM 2029 O LEU A 135 109.434 9.386 -14.583 1.00 0.00 O ATOM 2030 CB LEU A 135 110.520 6.434 -13.700 1.00 0.00 C ATOM 2031 CG LEU A 135 111.822 5.722 -13.332 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.728 4.248 -13.732 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.988 6.372 -14.081 1.00 0.00 C ATOM 0 H LEU A 135 110.438 6.819 -11.266 1.00 0.00 H new ATOM 0 HA LEU A 135 111.422 8.366 -13.393 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.667 5.866 -13.330 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.419 6.490 -14.784 1.00 0.00 H new ATOM 0 HG LEU A 135 111.986 5.801 -12.257 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.656 3.740 -13.470 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.897 3.780 -13.205 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.564 4.172 -14.807 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.917 5.865 -13.819 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.821 6.291 -15.155 1.00 0.00 H new ATOM 0 HD23 LEU A 135 113.058 7.424 -13.803 1.00 0.00 H new ATOM 2045 N ASN A 136 108.151 8.416 -13.010 1.00 0.00 N ATOM 2046 CA ASN A 136 106.948 9.128 -13.426 1.00 0.00 C ATOM 2047 C ASN A 136 107.162 10.634 -13.321 1.00 0.00 C ATOM 2048 O ASN A 136 106.766 11.390 -14.209 1.00 0.00 O ATOM 2049 CB ASN A 136 105.765 8.715 -12.547 1.00 0.00 C ATOM 2050 CG ASN A 136 105.501 7.221 -12.693 1.00 0.00 C ATOM 2051 OD1 ASN A 136 105.321 6.521 -11.698 1.00 0.00 O ATOM 2052 ND2 ASN A 136 105.467 6.687 -13.884 1.00 0.00 N ATOM 0 H ASN A 136 108.019 7.773 -12.229 1.00 0.00 H new ATOM 0 HA ASN A 136 106.733 8.871 -14.463 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.975 8.955 -11.505 1.00 0.00 H new ATOM 0 HB3 ASN A 136 104.876 9.279 -12.831 1.00 0.00 H new ATOM 0 HD21 ASN A 136 105.291 5.688 -13.990 1.00 0.00 H new ATOM 0 HD22 ASN A 136 105.616 7.269 -14.708 1.00 0.00 H new ATOM 2059 N LEU A 137 107.789 11.060 -12.231 1.00 0.00 N ATOM 2060 CA LEU A 137 108.102 12.475 -12.048 1.00 0.00 C ATOM 2061 C LEU A 137 109.068 12.964 -13.126 1.00 0.00 C ATOM 2062 O LEU A 137 108.938 14.082 -13.626 1.00 0.00 O ATOM 2063 CB LEU A 137 108.718 12.703 -10.666 1.00 0.00 C ATOM 2064 CG LEU A 137 107.756 12.219 -9.576 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.426 12.368 -8.209 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.475 13.060 -9.602 1.00 0.00 C ATOM 0 H LEU A 137 108.089 10.454 -11.467 1.00 0.00 H new ATOM 0 HA LEU A 137 107.174 13.040 -12.130 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.666 12.170 -10.589 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.936 13.762 -10.526 1.00 0.00 H new ATOM 0 HG LEU A 137 107.506 11.173 -9.756 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.745 12.025 -7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.337 11.770 -8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.674 13.415 -8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.795 12.711 -8.825 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.723 14.106 -9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.995 12.961 -10.575 1.00 0.00 H new ATOM 2078 N CYS A 138 110.034 12.123 -13.478 1.00 0.00 N ATOM 2079 CA CYS A 138 110.978 12.454 -14.545 1.00 0.00 C ATOM 2080 C CYS A 138 110.267 12.691 -15.884 1.00 0.00 C ATOM 2081 O CYS A 138 110.788 13.401 -16.744 1.00 0.00 O ATOM 2082 CB CYS A 138 111.997 11.320 -14.705 1.00 0.00 C ATOM 2083 SG CYS A 138 113.375 11.540 -13.548 1.00 0.00 S ATOM 0 H CYS A 138 110.186 11.212 -13.045 1.00 0.00 H new ATOM 0 HA CYS A 138 111.483 13.378 -14.263 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.513 10.360 -14.526 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.372 11.302 -15.728 1.00 0.00 H new ATOM 2088 N GLY A 139 109.084 12.103 -16.067 1.00 0.00 N ATOM 2089 CA GLY A 139 108.335 12.273 -17.311 1.00 0.00 C ATOM 2090 C GLY A 139 108.480 11.091 -18.278 1.00 0.00 C ATOM 2091 O GLY A 139 107.966 11.148 -19.396 1.00 0.00 O ATOM 0 H GLY A 139 108.627 11.509 -15.375 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.280 12.412 -17.075 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.673 13.182 -17.808 1.00 0.00 H new