USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 SER OG : rot -41:sc= 1.26 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.952 K(o=2.2,f=-4.1!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.825 K(o=-0.82,f=-2.6!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -75:sc= 0.428 USER MOD Single : A 77 HIS : no HD1:sc= -1.99 K(o=-2,f=-4.4!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 166:sc= 0.0271 USER MOD Single : A 101 ASN : amide:sc= -1.57 K(o=-1.6,f=-5.4!) USER MOD Single : A 106 LYS NZ :NH3+ 139:sc= -0.146 (180deg=-0.867) USER MOD Single : A 109 HIS : no HD1:sc= -0.0586 X(o=-0.059,f=-0.24) 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 -20:sc= -0.831 USER MOD Single : A 136 ASN : amide:sc= -0.017 K(o=-0.017,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 108.844 16.541 -8.265 1.00 0.00 N ATOM 920 CA LYS A 59 109.168 16.022 -6.935 1.00 0.00 C ATOM 921 C LYS A 59 107.918 15.556 -6.186 1.00 0.00 C ATOM 922 O LYS A 59 106.812 16.027 -6.448 1.00 0.00 O ATOM 923 CB LYS A 59 109.846 17.104 -6.089 1.00 0.00 C ATOM 924 CG LYS A 59 111.144 17.565 -6.754 1.00 0.00 C ATOM 925 CD LYS A 59 111.774 18.683 -5.921 1.00 0.00 C ATOM 926 CE LYS A 59 112.272 18.112 -4.591 1.00 0.00 C ATOM 927 NZ LYS A 59 113.111 19.129 -3.897 1.00 0.00 N ATOM 0 HA LYS A 59 109.836 15.174 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 59 109.173 17.952 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 59 110.058 16.716 -5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 59 111.837 16.728 -6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 59 110.941 17.920 -7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 59 112.602 19.135 -6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 59 111.043 19.471 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 59 111.426 17.833 -3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.851 17.205 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 113.450 18.742 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 113.925 19.374 -4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 112.544 19.982 -3.717 1.00 0.00 H new ATOM 941 N GLN A 60 108.112 14.626 -5.252 1.00 0.00 N ATOM 942 CA GLN A 60 107.064 14.259 -4.300 1.00 0.00 C ATOM 943 C GLN A 60 107.669 13.825 -2.970 1.00 0.00 C ATOM 944 O GLN A 60 108.779 13.297 -2.925 1.00 0.00 O ATOM 945 CB GLN A 60 106.185 13.116 -4.817 1.00 0.00 C ATOM 946 CG GLN A 60 105.314 13.599 -5.976 1.00 0.00 C ATOM 947 CD GLN A 60 104.278 12.532 -6.319 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.578 11.593 -7.056 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.075 12.602 -5.812 1.00 0.00 N ATOM 0 H GLN A 60 108.985 14.113 -5.134 1.00 0.00 H new ATOM 0 HA GLN A 60 106.448 15.149 -4.168 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.811 12.286 -5.145 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.554 12.740 -4.011 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.816 14.530 -5.706 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.935 13.810 -6.847 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.824 13.379 -5.201 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.388 11.880 -6.028 1.00 0.00 H new ATOM 958 N ASP A 61 106.928 14.042 -1.888 1.00 0.00 N ATOM 959 CA ASP A 61 107.334 13.536 -0.583 1.00 0.00 C ATOM 960 C ASP A 61 106.702 12.167 -0.351 1.00 0.00 C ATOM 961 O ASP A 61 105.482 12.020 -0.434 1.00 0.00 O ATOM 962 CB ASP A 61 106.894 14.502 0.519 1.00 0.00 C ATOM 963 CG ASP A 61 107.587 15.854 0.355 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.705 15.877 -0.136 1.00 0.00 O ATOM 965 OD2 ASP A 61 106.986 16.850 0.722 1.00 0.00 O ATOM 0 H ASP A 61 106.050 14.561 -1.889 1.00 0.00 H new ATOM 0 HA ASP A 61 108.420 13.446 -0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.813 14.635 0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.132 14.081 1.496 1.00 0.00 H new ATOM 970 N ILE A 62 107.528 11.164 -0.059 1.00 0.00 N ATOM 971 CA ILE A 62 107.033 9.795 0.098 1.00 0.00 C ATOM 972 C ILE A 62 107.465 9.224 1.451 1.00 0.00 C ATOM 973 O ILE A 62 108.561 9.519 1.924 1.00 0.00 O ATOM 974 CB ILE A 62 107.547 8.946 -1.076 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.823 7.599 -1.088 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.062 8.721 -0.987 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.429 7.772 -1.701 1.00 0.00 C ATOM 0 H ILE A 62 108.534 11.270 0.073 1.00 0.00 H new ATOM 0 HA ILE A 62 105.943 9.784 0.083 1.00 0.00 H new ATOM 0 HB ILE A 62 107.343 9.486 -2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.396 6.871 -1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.740 7.210 -0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.390 8.117 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.574 9.683 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.299 8.203 -0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 62 104.913 6.812 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.857 8.486 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.524 8.142 -2.722 1.00 0.00 H new ATOM 989 N SER A 63 106.615 8.397 2.065 1.00 0.00 N ATOM 990 CA SER A 63 106.903 7.909 3.413 1.00 0.00 C ATOM 991 C SER A 63 106.309 6.527 3.671 1.00 0.00 C ATOM 992 O SER A 63 105.404 6.068 2.971 1.00 0.00 O ATOM 993 CB SER A 63 106.361 8.895 4.449 1.00 0.00 C ATOM 994 OG SER A 63 104.942 8.814 4.474 1.00 0.00 O ATOM 0 H SER A 63 105.742 8.058 1.661 1.00 0.00 H new ATOM 0 HA SER A 63 107.986 7.825 3.500 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.768 8.666 5.434 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.675 9.909 4.202 1.00 0.00 H new ATOM 0 HG SER A 63 104.603 8.736 3.558 1.00 0.00 H new ATOM 1000 N GLU A 64 106.825 5.876 4.711 1.00 0.00 N ATOM 1001 CA GLU A 64 106.365 4.547 5.092 1.00 0.00 C ATOM 1002 C GLU A 64 104.859 4.525 5.340 1.00 0.00 C ATOM 1003 O GLU A 64 104.190 3.546 5.015 1.00 0.00 O ATOM 1004 CB GLU A 64 107.105 4.089 6.353 1.00 0.00 C ATOM 1005 CG GLU A 64 106.823 5.054 7.512 1.00 0.00 C ATOM 1006 CD GLU A 64 107.637 4.698 8.762 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.300 3.670 8.772 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.579 5.467 9.707 1.00 0.00 O ATOM 0 H GLU A 64 107.564 6.251 5.305 1.00 0.00 H new ATOM 0 HA GLU A 64 106.579 3.866 4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.789 3.082 6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.177 4.045 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.059 6.072 7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.760 5.032 7.752 1.00 0.00 H new ATOM 1015 N ALA A 65 104.321 5.612 5.885 1.00 0.00 N ATOM 1016 CA ALA A 65 102.905 5.653 6.236 1.00 0.00 C ATOM 1017 C ALA A 65 102.030 5.414 5.011 1.00 0.00 C ATOM 1018 O ALA A 65 101.030 4.698 5.084 1.00 0.00 O ATOM 1019 CB ALA A 65 102.559 7.011 6.850 1.00 0.00 C ATOM 0 H ALA A 65 104.837 6.467 6.091 1.00 0.00 H new ATOM 0 HA ALA A 65 102.713 4.861 6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.501 7.034 7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.156 7.167 7.748 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.773 7.801 6.130 1.00 0.00 H new ATOM 1025 N ASN A 66 102.404 6.014 3.887 1.00 0.00 N ATOM 1026 CA ASN A 66 101.589 5.922 2.678 1.00 0.00 C ATOM 1027 C ASN A 66 101.684 4.530 2.056 1.00 0.00 C ATOM 1028 O ASN A 66 100.674 3.938 1.678 1.00 0.00 O ATOM 1029 CB ASN A 66 102.034 6.955 1.637 1.00 0.00 C ATOM 1030 CG ASN A 66 102.168 8.347 2.252 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.268 8.762 2.616 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.112 9.099 2.377 1.00 0.00 N ATOM 0 H ASN A 66 103.257 6.564 3.786 1.00 0.00 H new ATOM 0 HA ASN A 66 100.558 6.119 2.971 1.00 0.00 H new ATOM 0 HB2 ASN A 66 102.989 6.652 1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.312 6.985 0.821 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.196 10.034 2.777 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.201 8.753 2.075 1.00 0.00 H new ATOM 1039 N LEU A 67 102.906 4.021 1.938 1.00 0.00 N ATOM 1040 CA LEU A 67 103.125 2.728 1.289 1.00 0.00 C ATOM 1041 C LEU A 67 102.654 1.548 2.140 1.00 0.00 C ATOM 1042 O LEU A 67 102.336 0.490 1.598 1.00 0.00 O ATOM 1043 CB LEU A 67 104.606 2.558 0.939 1.00 0.00 C ATOM 1044 CG LEU A 67 104.916 3.331 -0.347 1.00 0.00 C ATOM 1045 CD1 LEU A 67 104.963 4.828 -0.041 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.261 2.874 -0.926 1.00 0.00 C ATOM 0 H LEU A 67 103.753 4.476 2.278 1.00 0.00 H new ATOM 0 HA LEU A 67 102.524 2.727 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.228 2.924 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.841 1.502 0.807 1.00 0.00 H new ATOM 0 HG LEU A 67 104.134 3.135 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.184 5.379 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 67 103.999 5.149 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.740 5.024 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.471 3.430 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 67 107.052 3.059 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.217 1.808 -1.151 1.00 0.00 H new ATOM 1058 N ALA A 68 102.619 1.716 3.462 1.00 0.00 N ATOM 1059 CA ALA A 68 102.244 0.630 4.370 1.00 0.00 C ATOM 1060 C ALA A 68 103.363 -0.425 4.378 1.00 0.00 C ATOM 1061 O ALA A 68 104.525 -0.062 4.210 1.00 0.00 O ATOM 1062 CB ALA A 68 100.872 0.052 3.973 1.00 0.00 C ATOM 0 H ALA A 68 102.846 2.594 3.929 1.00 0.00 H new ATOM 0 HA ALA A 68 102.135 1.003 5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.605 -0.754 4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.117 0.837 4.026 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.921 -0.336 2.956 1.00 0.00 H new ATOM 1068 N TYR A 69 103.048 -1.714 4.541 1.00 0.00 N ATOM 1069 CA TYR A 69 104.088 -2.744 4.623 1.00 0.00 C ATOM 1070 C TYR A 69 105.021 -2.733 3.406 1.00 0.00 C ATOM 1071 O TYR A 69 106.148 -3.222 3.482 1.00 0.00 O ATOM 1072 CB TYR A 69 103.436 -4.123 4.743 1.00 0.00 C ATOM 1073 CG TYR A 69 102.576 -4.277 5.975 1.00 0.00 C ATOM 1074 CD1 TYR A 69 103.168 -4.573 7.209 1.00 0.00 C ATOM 1075 CD2 TYR A 69 101.187 -4.123 5.884 1.00 0.00 C ATOM 1076 CE1 TYR A 69 102.371 -4.716 8.352 1.00 0.00 C ATOM 1077 CE2 TYR A 69 100.391 -4.266 7.026 1.00 0.00 C ATOM 1078 CZ TYR A 69 100.982 -4.563 8.260 1.00 0.00 C ATOM 1079 OH TYR A 69 100.197 -4.703 9.386 1.00 0.00 O ATOM 0 H TYR A 69 102.094 -2.066 4.618 1.00 0.00 H new ATOM 0 HA TYR A 69 104.691 -2.525 5.505 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.826 -4.306 3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 69 104.215 -4.885 4.756 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.239 -4.691 7.279 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.730 -3.894 4.933 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.827 -4.944 9.304 1.00 0.00 H new ATOM 0 HE2 TYR A 69 99.320 -4.147 6.955 1.00 0.00 H new ATOM 0 HH TYR A 69 99.256 -4.564 9.148 1.00 0.00 H new ATOM 1089 N LEU A 70 104.557 -2.177 2.288 1.00 0.00 N ATOM 1090 CA LEU A 70 105.352 -2.135 1.061 1.00 0.00 C ATOM 1091 C LEU A 70 106.675 -1.385 1.251 1.00 0.00 C ATOM 1092 O LEU A 70 107.635 -1.628 0.520 1.00 0.00 O ATOM 1093 CB LEU A 70 104.547 -1.467 -0.056 1.00 0.00 C ATOM 1094 CG LEU A 70 103.232 -2.220 -0.281 1.00 0.00 C ATOM 1095 CD1 LEU A 70 102.394 -1.479 -1.324 1.00 0.00 C ATOM 1096 CD2 LEU A 70 103.527 -3.634 -0.787 1.00 0.00 C ATOM 0 H LEU A 70 103.635 -1.749 2.206 1.00 0.00 H new ATOM 0 HA LEU A 70 105.589 -3.165 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 70 104.340 -0.429 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 70 105.130 -1.454 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 70 102.685 -2.277 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.458 -2.014 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 70 102.180 -0.471 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 70 102.946 -1.424 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.589 -4.167 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 70 104.076 -3.577 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 70 104.126 -4.167 -0.049 1.00 0.00 H new ATOM 1108 N TRP A 71 106.731 -0.476 2.225 1.00 0.00 N ATOM 1109 CA TRP A 71 107.925 0.334 2.444 1.00 0.00 C ATOM 1110 C TRP A 71 109.152 -0.568 2.654 1.00 0.00 C ATOM 1111 O TRP A 71 109.232 -1.238 3.684 1.00 0.00 O ATOM 1112 CB TRP A 71 107.724 1.193 3.693 1.00 0.00 C ATOM 1113 CG TRP A 71 108.692 2.328 3.804 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.645 2.440 4.755 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.819 3.507 2.955 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.335 3.621 4.557 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.872 4.311 3.456 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.131 3.953 1.816 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.227 5.518 2.842 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.485 5.162 1.197 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.529 5.942 1.707 1.00 0.00 C ATOM 0 H TRP A 71 105.966 -0.284 2.871 1.00 0.00 H new ATOM 0 HA TRP A 71 108.090 0.965 1.570 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.709 1.591 3.690 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.816 0.561 4.576 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.836 1.724 5.541 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.096 3.944 5.154 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.323 3.361 1.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.033 6.116 3.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.948 5.493 0.321 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.795 6.871 1.224 1.00 0.00 H new ATOM 1132 N PRO A 72 110.101 -0.615 1.739 1.00 0.00 N ATOM 1133 CA PRO A 72 111.265 -1.544 1.861 1.00 0.00 C ATOM 1134 C PRO A 72 112.460 -0.953 2.610 1.00 0.00 C ATOM 1135 O PRO A 72 113.394 -1.680 2.950 1.00 0.00 O ATOM 1136 CB PRO A 72 111.630 -1.815 0.403 1.00 0.00 C ATOM 1137 CG PRO A 72 111.319 -0.543 -0.310 1.00 0.00 C ATOM 1138 CD PRO A 72 110.216 0.158 0.486 1.00 0.00 C ATOM 0 HA PRO A 72 111.008 -2.429 2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.683 -2.078 0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 72 111.053 -2.647 -0.001 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.205 0.088 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 72 110.991 -0.743 -1.330 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.473 1.198 0.686 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.274 0.162 -0.063 1.00 0.00 H new ATOM 1146 N LEU A 73 112.460 0.359 2.829 1.00 0.00 N ATOM 1147 CA LEU A 73 113.614 1.023 3.433 1.00 0.00 C ATOM 1148 C LEU A 73 113.509 1.076 4.953 1.00 0.00 C ATOM 1149 O LEU A 73 112.420 1.211 5.513 1.00 0.00 O ATOM 1150 CB LEU A 73 113.742 2.451 2.903 1.00 0.00 C ATOM 1151 CG LEU A 73 113.818 2.452 1.375 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.869 3.902 0.893 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.080 1.717 0.914 1.00 0.00 C ATOM 0 H LEU A 73 111.683 0.979 2.600 1.00 0.00 H new ATOM 0 HA LEU A 73 114.494 0.438 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.888 3.044 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.634 2.920 3.317 1.00 0.00 H new ATOM 0 HG LEU A 73 112.945 1.946 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.924 3.922 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.971 4.426 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.749 4.393 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.127 1.722 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.960 2.217 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.052 0.688 1.271 1.00 0.00 H new ATOM 1165 N THR A 74 114.661 0.968 5.607 1.00 0.00 N ATOM 1166 CA THR A 74 114.742 1.108 7.055 1.00 0.00 C ATOM 1167 C THR A 74 114.482 2.554 7.472 1.00 0.00 C ATOM 1168 O THR A 74 113.855 2.796 8.505 1.00 0.00 O ATOM 1169 CB THR A 74 116.125 0.675 7.549 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.113 1.526 6.989 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.394 -0.772 7.129 1.00 0.00 C ATOM 0 H THR A 74 115.556 0.783 5.153 1.00 0.00 H new ATOM 0 HA THR A 74 113.980 0.470 7.503 1.00 0.00 H new ATOM 0 HB THR A 74 116.159 0.744 8.636 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.250 1.293 6.047 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.379 -1.076 7.482 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.636 -1.424 7.563 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.359 -0.848 6.042 1.00 0.00 H new ATOM 1179 N VAL A 75 114.961 3.512 6.675 1.00 0.00 N ATOM 1180 CA VAL A 75 114.667 4.914 6.950 1.00 0.00 C ATOM 1181 C VAL A 75 113.171 5.127 6.784 1.00 0.00 C ATOM 1182 O VAL A 75 112.593 4.724 5.779 1.00 0.00 O ATOM 1183 CB VAL A 75 115.449 5.851 6.021 1.00 0.00 C ATOM 1184 CG1 VAL A 75 116.943 5.730 6.321 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.201 5.489 4.554 1.00 0.00 C ATOM 0 H VAL A 75 115.541 3.346 5.853 1.00 0.00 H new ATOM 0 HA VAL A 75 114.974 5.151 7.969 1.00 0.00 H new ATOM 0 HB VAL A 75 115.112 6.873 6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.501 6.395 5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.129 6.007 7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.265 4.702 6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.765 6.166 3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.524 4.464 4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.138 5.580 4.332 1.00 0.00 H new ATOM 1195 N ASP A 76 112.542 5.735 7.779 1.00 0.00 N ATOM 1196 CA ASP A 76 111.084 5.776 7.826 1.00 0.00 C ATOM 1197 C ASP A 76 110.494 6.514 6.633 1.00 0.00 C ATOM 1198 O ASP A 76 109.401 6.172 6.180 1.00 0.00 O ATOM 1199 CB ASP A 76 110.615 6.430 9.128 1.00 0.00 C ATOM 1200 CG ASP A 76 111.026 5.586 10.332 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.109 4.376 10.192 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.253 6.165 11.382 1.00 0.00 O ATOM 0 H ASP A 76 113.009 6.202 8.556 1.00 0.00 H new ATOM 0 HA ASP A 76 110.729 4.746 7.786 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.043 7.429 9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.531 6.548 9.112 1.00 0.00 H new ATOM 1207 N HIS A 77 111.191 7.534 6.139 1.00 0.00 N ATOM 1208 CA HIS A 77 110.680 8.292 5.004 1.00 0.00 C ATOM 1209 C HIS A 77 111.822 8.796 4.136 1.00 0.00 C ATOM 1210 O HIS A 77 112.992 8.586 4.451 1.00 0.00 O ATOM 1211 CB HIS A 77 109.830 9.467 5.492 1.00 0.00 C ATOM 1212 CG HIS A 77 110.529 10.356 6.483 1.00 0.00 C ATOM 1213 ND1 HIS A 77 110.999 9.883 7.698 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.831 11.695 6.459 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.553 10.921 8.350 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.477 12.050 7.641 1.00 0.00 N ATOM 0 H HIS A 77 112.092 7.849 6.498 1.00 0.00 H new ATOM 0 HA HIS A 77 110.056 7.631 4.403 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.528 10.065 4.633 1.00 0.00 H new ATOM 0 HB3 HIS A 77 108.919 9.079 5.947 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.603 12.370 5.648 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.005 10.850 9.328 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.818 12.973 7.908 1.00 0.00 H new ATOM 1224 N GLY A 78 111.461 9.400 3.011 1.00 0.00 N ATOM 1225 CA GLY A 78 112.434 10.015 2.126 1.00 0.00 C ATOM 1226 C GLY A 78 111.718 10.799 1.034 1.00 0.00 C ATOM 1227 O GLY A 78 110.522 10.618 0.800 1.00 0.00 O ATOM 0 H GLY A 78 110.495 9.476 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.087 10.678 2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.068 9.249 1.680 1.00 0.00 H new ATOM 1231 N THR A 79 112.444 11.698 0.387 1.00 0.00 N ATOM 1232 CA THR A 79 111.873 12.500 -0.689 1.00 0.00 C ATOM 1233 C THR A 79 112.429 12.043 -2.033 1.00 0.00 C ATOM 1234 O THR A 79 113.612 11.739 -2.147 1.00 0.00 O ATOM 1235 CB THR A 79 112.204 13.976 -0.469 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.026 14.296 0.905 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.251 14.825 -1.312 1.00 0.00 C ATOM 0 H THR A 79 113.426 11.891 0.586 1.00 0.00 H new ATOM 0 HA THR A 79 110.791 12.371 -0.689 1.00 0.00 H new ATOM 0 HB THR A 79 113.236 14.174 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.239 15.241 1.051 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.477 15.881 -1.164 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.373 14.572 -2.365 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.223 14.628 -1.008 1.00 0.00 H new ATOM 1245 N ILE A 80 111.575 11.995 -3.050 1.00 0.00 N ATOM 1246 CA ILE A 80 112.000 11.559 -4.378 1.00 0.00 C ATOM 1247 C ILE A 80 112.019 12.746 -5.332 1.00 0.00 C ATOM 1248 O ILE A 80 111.131 13.599 -5.283 1.00 0.00 O ATOM 1249 CB ILE A 80 111.047 10.480 -4.902 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.614 11.024 -4.939 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.114 9.263 -3.976 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.679 9.988 -5.566 1.00 0.00 C ATOM 0 H ILE A 80 110.590 12.251 -2.983 1.00 0.00 H new ATOM 0 HA ILE A 80 113.005 11.142 -4.312 1.00 0.00 H new ATOM 0 HB ILE A 80 111.341 10.191 -5.911 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.281 11.263 -3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.582 11.950 -5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.438 8.490 -4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.133 8.876 -3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.819 9.556 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.663 10.382 -5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 80 109.007 9.770 -6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.700 9.073 -4.974 1.00 0.00 H new ATOM 1264 N GLU A 81 113.041 12.808 -6.183 1.00 0.00 N ATOM 1265 CA GLU A 81 113.165 13.932 -7.105 1.00 0.00 C ATOM 1266 C GLU A 81 113.818 13.530 -8.423 1.00 0.00 C ATOM 1267 O GLU A 81 114.694 12.664 -8.467 1.00 0.00 O ATOM 1268 CB GLU A 81 113.974 15.053 -6.447 1.00 0.00 C ATOM 1269 CG GLU A 81 115.379 14.545 -6.099 1.00 0.00 C ATOM 1270 CD GLU A 81 116.189 15.591 -5.325 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.730 16.716 -5.178 1.00 0.00 O ATOM 1272 OE2 GLU A 81 117.272 15.246 -4.881 1.00 0.00 O ATOM 0 H GLU A 81 113.780 12.109 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 81 112.158 14.281 -7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 81 114.043 15.908 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 81 113.468 15.398 -5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 81 115.299 13.635 -5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 81 115.907 14.282 -7.015 1.00 0.00 H new ATOM 1279 N CYS A 82 113.361 14.169 -9.493 1.00 0.00 N ATOM 1280 CA CYS A 82 113.972 14.011 -10.807 1.00 0.00 C ATOM 1281 C CYS A 82 114.719 15.288 -11.184 1.00 0.00 C ATOM 1282 O CYS A 82 114.137 16.372 -11.201 1.00 0.00 O ATOM 1283 CB CYS A 82 112.893 13.722 -11.854 1.00 0.00 C ATOM 1284 SG CYS A 82 112.435 11.972 -11.785 1.00 0.00 S ATOM 0 H CYS A 82 112.564 14.805 -9.476 1.00 0.00 H new ATOM 0 HA CYS A 82 114.672 13.177 -10.775 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.018 14.345 -11.671 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.260 13.973 -12.849 1.00 0.00 H new ATOM 1359 N ALA A 88 117.043 9.871 -11.829 1.00 0.00 N ATOM 1360 CA ALA A 88 116.132 9.685 -10.708 1.00 0.00 C ATOM 1361 C ALA A 88 116.912 9.310 -9.454 1.00 0.00 C ATOM 1362 O ALA A 88 117.643 8.318 -9.444 1.00 0.00 O ATOM 1363 CB ALA A 88 115.123 8.582 -11.033 1.00 0.00 C ATOM 0 HA ALA A 88 115.600 10.620 -10.531 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.445 8.449 -10.190 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.551 8.861 -11.918 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.653 7.649 -11.223 1.00 0.00 H new ATOM 1369 N VAL A 89 116.741 10.092 -8.390 1.00 0.00 N ATOM 1370 CA VAL A 89 117.447 9.829 -7.139 1.00 0.00 C ATOM 1371 C VAL A 89 116.504 9.902 -5.939 1.00 0.00 C ATOM 1372 O VAL A 89 115.455 10.549 -5.984 1.00 0.00 O ATOM 1373 CB VAL A 89 118.580 10.841 -6.946 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.603 10.688 -8.073 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.011 12.262 -6.966 1.00 0.00 C ATOM 0 H VAL A 89 116.126 10.905 -8.369 1.00 0.00 H new ATOM 0 HA VAL A 89 117.856 8.821 -7.201 1.00 0.00 H new ATOM 0 HB VAL A 89 119.065 10.658 -5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.408 11.409 -7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.013 9.678 -8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.117 10.867 -9.032 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.820 12.980 -6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.522 12.445 -7.923 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.285 12.375 -6.161 1.00 0.00 H new ATOM 1385 N PHE A 90 116.916 9.238 -4.865 1.00 0.00 N ATOM 1386 CA PHE A 90 116.164 9.201 -3.615 1.00 0.00 C ATOM 1387 C PHE A 90 116.947 9.913 -2.515 1.00 0.00 C ATOM 1388 O PHE A 90 118.115 9.614 -2.287 1.00 0.00 O ATOM 1389 CB PHE A 90 115.945 7.736 -3.225 1.00 0.00 C ATOM 1390 CG PHE A 90 115.240 7.526 -1.905 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.855 7.709 -1.808 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.974 7.127 -0.782 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.205 7.492 -0.585 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.325 6.912 0.440 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.941 7.093 0.537 1.00 0.00 C ATOM 0 H PHE A 90 117.786 8.707 -4.836 1.00 0.00 H new ATOM 0 HA PHE A 90 115.206 9.704 -3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.367 7.249 -4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.913 7.237 -3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.288 8.017 -2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.042 6.985 -0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.137 7.633 -0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.892 6.607 1.307 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.440 6.925 1.479 1.00 0.00 H new ATOM 1405 N VAL A 91 116.305 10.854 -1.833 1.00 0.00 N ATOM 1406 CA VAL A 91 116.952 11.587 -0.746 1.00 0.00 C ATOM 1407 C VAL A 91 116.370 11.130 0.585 1.00 0.00 C ATOM 1408 O VAL A 91 115.154 11.094 0.751 1.00 0.00 O ATOM 1409 CB VAL A 91 116.715 13.096 -0.919 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.419 13.900 0.185 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.250 13.543 -2.283 1.00 0.00 C ATOM 0 H VAL A 91 115.339 11.129 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 91 118.024 11.390 -0.766 1.00 0.00 H new ATOM 0 HB VAL A 91 115.643 13.282 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.233 14.964 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.033 13.597 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.492 13.710 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.082 14.613 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.318 13.334 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.731 13.001 -3.073 1.00 0.00 H new ATOM 1421 N ALA A 92 117.237 10.804 1.538 1.00 0.00 N ATOM 1422 CA ALA A 92 116.772 10.376 2.858 1.00 0.00 C ATOM 1423 C ALA A 92 116.859 11.527 3.865 1.00 0.00 C ATOM 1424 O ALA A 92 117.655 12.443 3.671 1.00 0.00 O ATOM 1425 CB ALA A 92 117.616 9.200 3.352 1.00 0.00 C ATOM 0 H ALA A 92 118.251 10.826 1.427 1.00 0.00 H new ATOM 0 HA ALA A 92 115.730 10.067 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.264 8.887 4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.526 8.369 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.660 9.505 3.421 1.00 0.00 H new ATOM 1431 N PRO A 93 116.073 11.513 4.923 1.00 0.00 N ATOM 1432 CA PRO A 93 116.128 12.599 5.952 1.00 0.00 C ATOM 1433 C PRO A 93 117.549 12.917 6.412 1.00 0.00 C ATOM 1434 O PRO A 93 117.834 14.036 6.837 1.00 0.00 O ATOM 1435 CB PRO A 93 115.300 12.061 7.121 1.00 0.00 C ATOM 1436 CG PRO A 93 114.375 11.051 6.535 1.00 0.00 C ATOM 1437 CD PRO A 93 115.035 10.517 5.264 1.00 0.00 C ATOM 0 HA PRO A 93 115.748 13.536 5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 93 115.941 11.610 7.879 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.745 12.863 7.608 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.191 10.242 7.242 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.409 11.501 6.307 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.472 9.533 5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.310 10.411 4.457 1.00 0.00 H new ATOM 1445 N ASP A 94 118.435 11.933 6.325 1.00 0.00 N ATOM 1446 CA ASP A 94 119.812 12.118 6.779 1.00 0.00 C ATOM 1447 C ASP A 94 120.574 13.172 5.960 1.00 0.00 C ATOM 1448 O ASP A 94 121.656 13.599 6.362 1.00 0.00 O ATOM 1449 CB ASP A 94 120.553 10.772 6.726 1.00 0.00 C ATOM 1450 CG ASP A 94 120.454 10.117 5.342 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.026 10.775 4.408 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.822 8.957 5.233 1.00 0.00 O ATOM 0 H ASP A 94 118.231 11.007 5.949 1.00 0.00 H new ATOM 0 HA ASP A 94 119.770 12.487 7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.602 10.925 6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.137 10.099 7.476 1.00 0.00 H new ATOM 1457 N GLY A 95 120.021 13.596 4.822 1.00 0.00 N ATOM 1458 CA GLY A 95 120.706 14.553 3.948 1.00 0.00 C ATOM 1459 C GLY A 95 121.606 13.873 2.905 1.00 0.00 C ATOM 1460 O GLY A 95 122.377 14.545 2.219 1.00 0.00 O ATOM 0 H GLY A 95 119.107 13.295 4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 95 119.964 15.165 3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.309 15.226 4.557 1.00 0.00 H new ATOM 1464 N THR A 96 121.513 12.550 2.784 1.00 0.00 N ATOM 1465 CA THR A 96 122.315 11.795 1.836 1.00 0.00 C ATOM 1466 C THR A 96 121.483 11.496 0.599 1.00 0.00 C ATOM 1467 O THR A 96 120.296 11.186 0.707 1.00 0.00 O ATOM 1468 CB THR A 96 122.757 10.479 2.480 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.452 10.755 3.688 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.673 9.705 1.527 1.00 0.00 C ATOM 0 H THR A 96 120.880 11.977 3.341 1.00 0.00 H new ATOM 0 HA THR A 96 123.193 12.377 1.555 1.00 0.00 H new ATOM 0 HB THR A 96 121.876 9.873 2.693 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.734 9.913 4.103 1.00 0.00 H new ATOM 0 HG21 THR A 96 123.981 8.771 1.997 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.137 9.487 0.603 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.554 10.305 1.302 1.00 0.00 H new ATOM 1478 N THR A 97 122.103 11.593 -0.571 1.00 0.00 N ATOM 1479 CA THR A 97 121.406 11.286 -1.813 1.00 0.00 C ATOM 1480 C THR A 97 121.850 9.928 -2.340 1.00 0.00 C ATOM 1481 O THR A 97 123.042 9.638 -2.437 1.00 0.00 O ATOM 1482 CB THR A 97 121.699 12.365 -2.858 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.381 13.641 -2.320 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.856 12.111 -4.109 1.00 0.00 C ATOM 0 H THR A 97 123.076 11.878 -0.685 1.00 0.00 H new ATOM 0 HA THR A 97 120.334 11.259 -1.616 1.00 0.00 H new ATOM 0 HB THR A 97 122.756 12.335 -3.124 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.570 14.334 -2.987 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.066 12.881 -4.852 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.102 11.132 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.798 12.139 -3.847 1.00 0.00 H new ATOM 1492 N TYR A 98 120.868 9.103 -2.676 1.00 0.00 N ATOM 1493 CA TYR A 98 121.117 7.773 -3.213 1.00 0.00 C ATOM 1494 C TYR A 98 120.579 7.702 -4.638 1.00 0.00 C ATOM 1495 O TYR A 98 119.592 8.357 -4.960 1.00 0.00 O ATOM 1496 CB TYR A 98 120.403 6.729 -2.350 1.00 0.00 C ATOM 1497 CG TYR A 98 120.815 6.730 -0.893 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.898 5.951 -0.468 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.105 7.502 0.035 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.271 5.947 0.884 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.479 7.499 1.386 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.561 6.721 1.811 1.00 0.00 C ATOM 1503 OH TYR A 98 121.931 6.714 3.143 1.00 0.00 O ATOM 0 H TYR A 98 119.879 9.336 -2.584 1.00 0.00 H new ATOM 0 HA TYR A 98 122.188 7.573 -3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.328 6.900 -2.411 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.593 5.740 -2.767 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.446 5.353 -1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.267 8.101 -0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.107 5.346 1.211 1.00 0.00 H new ATOM 0 HE2 TYR A 98 119.932 8.098 2.099 1.00 0.00 H new ATOM 0 HH TYR A 98 121.499 7.462 3.606 1.00 0.00 H new ATOM 1513 N ALA A 99 121.220 6.910 -5.488 1.00 0.00 N ATOM 1514 CA ALA A 99 120.790 6.790 -6.878 1.00 0.00 C ATOM 1515 C ALA A 99 119.724 5.707 -7.022 1.00 0.00 C ATOM 1516 O ALA A 99 119.911 4.577 -6.570 1.00 0.00 O ATOM 1517 CB ALA A 99 121.999 6.457 -7.759 1.00 0.00 C ATOM 0 H ALA A 99 122.033 6.345 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 99 120.357 7.739 -7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.679 6.367 -8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.740 7.252 -7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.439 5.515 -7.432 1.00 0.00 H new ATOM 1523 N LEU A 100 118.607 6.060 -7.652 1.00 0.00 N ATOM 1524 CA LEU A 100 117.529 5.102 -7.865 1.00 0.00 C ATOM 1525 C LEU A 100 117.752 4.333 -9.159 1.00 0.00 C ATOM 1526 O LEU A 100 117.707 3.102 -9.178 1.00 0.00 O ATOM 1527 CB LEU A 100 116.180 5.818 -7.951 1.00 0.00 C ATOM 1528 CG LEU A 100 115.730 6.274 -6.564 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.664 7.359 -6.723 1.00 0.00 C ATOM 1530 CD2 LEU A 100 115.128 5.084 -5.812 1.00 0.00 C ATOM 0 H LEU A 100 118.426 6.994 -8.021 1.00 0.00 H new ATOM 0 HA LEU A 100 117.524 4.413 -7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.259 6.678 -8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.433 5.150 -8.381 1.00 0.00 H new ATOM 0 HG LEU A 100 116.581 6.666 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.335 7.693 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.083 8.203 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.814 6.956 -7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.806 5.405 -4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.271 4.699 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.878 4.299 -5.713 1.00 0.00 H new ATOM 1542 N ASN A 101 117.989 5.068 -10.245 1.00 0.00 N ATOM 1543 CA ASN A 101 118.104 4.442 -11.566 1.00 0.00 C ATOM 1544 C ASN A 101 119.560 4.329 -12.023 1.00 0.00 C ATOM 1545 O ASN A 101 120.464 4.947 -11.460 1.00 0.00 O ATOM 1546 CB ASN A 101 117.262 5.211 -12.593 1.00 0.00 C ATOM 1547 CG ASN A 101 117.862 6.576 -12.918 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.889 6.960 -12.361 1.00 0.00 O ATOM 1549 ND2 ASN A 101 117.278 7.336 -13.804 1.00 0.00 N ATOM 0 H ASN A 101 118.104 6.081 -10.240 1.00 0.00 H new ATOM 0 HA ASN A 101 117.718 3.426 -11.486 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.181 4.624 -13.508 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.251 5.342 -12.207 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.673 8.248 -14.034 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.426 7.018 -14.266 1.00 0.00 H new ATOM 1556 N ASP A 102 119.770 3.531 -13.064 1.00 0.00 N ATOM 1557 CA ASP A 102 121.117 3.201 -13.517 1.00 0.00 C ATOM 1558 C ASP A 102 121.944 4.448 -13.818 1.00 0.00 C ATOM 1559 O ASP A 102 123.131 4.496 -13.500 1.00 0.00 O ATOM 1560 CB ASP A 102 121.041 2.332 -14.774 1.00 0.00 C ATOM 1561 CG ASP A 102 122.431 1.826 -15.143 1.00 0.00 C ATOM 1562 OD1 ASP A 102 122.844 0.826 -14.581 1.00 0.00 O ATOM 1563 OD2 ASP A 102 123.061 2.447 -15.983 1.00 0.00 O ATOM 0 H ASP A 102 119.024 3.100 -13.611 1.00 0.00 H new ATOM 0 HA ASP A 102 121.609 2.659 -12.709 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.372 1.489 -14.603 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.624 2.908 -15.600 1.00 0.00 H new ATOM 1568 N ARG A 103 121.327 5.454 -14.429 1.00 0.00 N ATOM 1569 CA ARG A 103 122.067 6.648 -14.833 1.00 0.00 C ATOM 1570 C ARG A 103 122.630 7.389 -13.622 1.00 0.00 C ATOM 1571 O ARG A 103 123.784 7.819 -13.631 1.00 0.00 O ATOM 1572 CB ARG A 103 121.163 7.555 -15.669 1.00 0.00 C ATOM 1573 CG ARG A 103 120.862 6.850 -16.995 1.00 0.00 C ATOM 1574 CD ARG A 103 120.041 7.765 -17.905 1.00 0.00 C ATOM 1575 NE ARG A 103 118.784 8.131 -17.252 1.00 0.00 N ATOM 1576 CZ ARG A 103 117.761 7.281 -17.087 1.00 0.00 C ATOM 1577 NH1 ARG A 103 117.807 6.036 -17.496 1.00 0.00 N ATOM 1578 NH2 ARG A 103 116.684 7.717 -16.496 1.00 0.00 N ATOM 0 H ARG A 103 120.332 5.470 -14.653 1.00 0.00 H new ATOM 0 HA ARG A 103 122.917 6.343 -15.443 1.00 0.00 H new ATOM 0 HB2 ARG A 103 120.237 7.766 -15.133 1.00 0.00 H new ATOM 0 HB3 ARG A 103 121.651 8.513 -15.851 1.00 0.00 H new ATOM 0 HG2 ARG A 103 121.794 6.575 -17.489 1.00 0.00 H new ATOM 0 HG3 ARG A 103 120.316 5.926 -16.808 1.00 0.00 H new ATOM 0 HD2 ARG A 103 120.612 8.663 -18.140 1.00 0.00 H new ATOM 0 HD3 ARG A 103 119.835 7.261 -18.850 1.00 0.00 H new ATOM 0 HE ARG A 103 118.681 9.084 -16.904 1.00 0.00 H new ATOM 0 HH11 ARG A 103 118.644 5.682 -17.959 1.00 0.00 H new ATOM 0 HH12 ARG A 103 117.006 5.422 -17.351 1.00 0.00 H new ATOM 0 HH21 ARG A 103 116.635 8.683 -16.173 1.00 0.00 H new ATOM 0 HH22 ARG A 103 115.890 7.092 -16.357 1.00 0.00 H new ATOM 1592 N ALA A 104 121.834 7.505 -12.564 1.00 0.00 N ATOM 1593 CA ALA A 104 122.312 8.123 -11.328 1.00 0.00 C ATOM 1594 C ALA A 104 123.500 7.348 -10.751 1.00 0.00 C ATOM 1595 O ALA A 104 124.419 7.938 -10.172 1.00 0.00 O ATOM 1596 CB ALA A 104 121.177 8.176 -10.305 1.00 0.00 C ATOM 0 H ALA A 104 120.866 7.184 -12.535 1.00 0.00 H new ATOM 0 HA ALA A 104 122.644 9.136 -11.555 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.537 8.637 -9.385 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.352 8.764 -10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.831 7.164 -10.092 1.00 0.00 H new ATOM 1602 N GLU A 105 123.472 6.022 -10.882 1.00 0.00 N ATOM 1603 CA GLU A 105 124.598 5.203 -10.440 1.00 0.00 C ATOM 1604 C GLU A 105 125.849 5.540 -11.250 1.00 0.00 C ATOM 1605 O GLU A 105 126.940 5.664 -10.699 1.00 0.00 O ATOM 1606 CB GLU A 105 124.270 3.715 -10.595 1.00 0.00 C ATOM 1607 CG GLU A 105 123.082 3.352 -9.698 1.00 0.00 C ATOM 1608 CD GLU A 105 123.406 3.573 -8.219 1.00 0.00 C ATOM 1609 OE1 GLU A 105 124.575 3.674 -7.876 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.469 3.636 -7.441 1.00 0.00 O ATOM 0 H GLU A 105 122.694 5.499 -11.284 1.00 0.00 H new ATOM 0 HA GLU A 105 124.785 5.417 -9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 105 124.034 3.491 -11.635 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.138 3.112 -10.328 1.00 0.00 H new ATOM 0 HG2 GLU A 105 122.218 3.955 -9.976 1.00 0.00 H new ATOM 0 HG3 GLU A 105 122.808 2.309 -9.859 1.00 0.00 H new ATOM 1617 N LYS A 106 125.680 5.726 -12.555 1.00 0.00 N ATOM 1618 CA LYS A 106 126.795 6.126 -13.415 1.00 0.00 C ATOM 1619 C LYS A 106 127.398 7.458 -12.961 1.00 0.00 C ATOM 1620 O LYS A 106 128.605 7.673 -13.077 1.00 0.00 O ATOM 1621 CB LYS A 106 126.321 6.249 -14.864 1.00 0.00 C ATOM 1622 CG LYS A 106 125.902 4.873 -15.384 1.00 0.00 C ATOM 1623 CD LYS A 106 125.290 5.012 -16.779 1.00 0.00 C ATOM 1624 CE LYS A 106 126.373 5.408 -17.786 1.00 0.00 C ATOM 1625 NZ LYS A 106 127.470 4.399 -17.765 1.00 0.00 N ATOM 0 H LYS A 106 124.790 5.608 -13.040 1.00 0.00 H new ATOM 0 HA LYS A 106 127.564 5.357 -13.343 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.483 6.943 -14.926 1.00 0.00 H new ATOM 0 HB3 LYS A 106 127.119 6.656 -15.485 1.00 0.00 H new ATOM 0 HG2 LYS A 106 126.766 4.209 -15.420 1.00 0.00 H new ATOM 0 HG3 LYS A 106 125.180 4.421 -14.703 1.00 0.00 H new ATOM 0 HD2 LYS A 106 124.829 4.071 -17.079 1.00 0.00 H new ATOM 0 HD3 LYS A 106 124.501 5.764 -16.766 1.00 0.00 H new ATOM 0 HE2 LYS A 106 125.946 5.475 -18.787 1.00 0.00 H new ATOM 0 HE3 LYS A 106 126.768 6.394 -17.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 127.785 4.209 -18.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 128.268 4.765 -17.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 127.123 3.518 -17.335 1.00 0.00 H new ATOM 1639 N ALA A 107 126.552 8.346 -12.442 1.00 0.00 N ATOM 1640 CA ALA A 107 127.005 9.637 -11.919 1.00 0.00 C ATOM 1641 C ALA A 107 127.811 9.510 -10.615 1.00 0.00 C ATOM 1642 O ALA A 107 128.280 10.515 -10.082 1.00 0.00 O ATOM 1643 CB ALA A 107 125.794 10.539 -11.671 1.00 0.00 C ATOM 0 H ALA A 107 125.546 8.196 -12.372 1.00 0.00 H new ATOM 0 HA ALA A 107 127.668 10.068 -12.669 1.00 0.00 H new ATOM 0 HB1 ALA A 107 126.130 11.500 -11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 107 125.258 10.694 -12.607 1.00 0.00 H new ATOM 0 HB3 ALA A 107 125.130 10.066 -10.947 1.00 0.00 H new ATOM 1649 N GLY A 108 127.977 8.291 -10.103 1.00 0.00 N ATOM 1650 CA GLY A 108 128.768 8.069 -8.899 1.00 0.00 C ATOM 1651 C GLY A 108 128.017 8.410 -7.613 1.00 0.00 C ATOM 1652 O GLY A 108 128.645 8.693 -6.592 1.00 0.00 O ATOM 0 H GLY A 108 127.574 7.445 -10.505 1.00 0.00 H new ATOM 0 HA2 GLY A 108 129.079 7.025 -8.864 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.675 8.671 -8.952 1.00 0.00 H new ATOM 1656 N HIS A 109 126.684 8.389 -7.655 1.00 0.00 N ATOM 1657 CA HIS A 109 125.903 8.549 -6.433 1.00 0.00 C ATOM 1658 C HIS A 109 125.757 7.184 -5.747 1.00 0.00 C ATOM 1659 O HIS A 109 125.454 6.207 -6.437 1.00 0.00 O ATOM 1660 CB HIS A 109 124.517 9.103 -6.770 1.00 0.00 C ATOM 1661 CG HIS A 109 124.534 10.554 -7.166 1.00 0.00 C ATOM 1662 ND1 HIS A 109 125.429 11.460 -6.620 1.00 0.00 N ATOM 1663 CD2 HIS A 109 123.770 11.272 -8.054 1.00 0.00 C ATOM 1664 CE1 HIS A 109 125.187 12.659 -7.178 1.00 0.00 C ATOM 1665 NE2 HIS A 109 124.185 12.602 -8.059 1.00 0.00 N ATOM 0 H HIS A 109 126.134 8.265 -8.505 1.00 0.00 H new ATOM 0 HA HIS A 109 126.412 9.245 -5.766 1.00 0.00 H new ATOM 0 HB2 HIS A 109 124.087 8.517 -7.583 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.864 8.977 -5.907 1.00 0.00 H new ATOM 0 HD2 HIS A 109 122.970 10.867 -8.656 1.00 0.00 H new ATOM 0 HE1 HIS A 109 125.736 13.559 -6.942 1.00 0.00 H new ATOM 0 HE2 HIS A 109 123.805 13.368 -8.616 1.00 0.00 H new ATOM 1673 N PRO A 110 125.953 7.066 -4.447 1.00 0.00 N ATOM 1674 CA PRO A 110 125.856 5.733 -3.768 1.00 0.00 C ATOM 1675 C PRO A 110 124.459 5.124 -3.937 1.00 0.00 C ATOM 1676 O PRO A 110 123.489 5.871 -4.035 1.00 0.00 O ATOM 1677 CB PRO A 110 126.152 6.018 -2.289 1.00 0.00 C ATOM 1678 CG PRO A 110 126.789 7.365 -2.252 1.00 0.00 C ATOM 1679 CD PRO A 110 126.268 8.125 -3.469 1.00 0.00 C ATOM 0 HA PRO A 110 126.552 5.011 -4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.237 6.002 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 110 126.815 5.261 -1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 110 126.536 7.889 -1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 110 127.875 7.281 -2.283 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.385 8.715 -3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 110 127.016 8.817 -3.857 1.00 0.00 H new ATOM 1687 N PRO A 111 124.322 3.815 -4.004 1.00 0.00 N ATOM 1688 CA PRO A 111 122.972 3.179 -4.119 1.00 0.00 C ATOM 1689 C PRO A 111 122.236 3.135 -2.781 1.00 0.00 C ATOM 1690 O PRO A 111 122.857 3.199 -1.720 1.00 0.00 O ATOM 1691 CB PRO A 111 123.270 1.773 -4.640 1.00 0.00 C ATOM 1692 CG PRO A 111 124.657 1.460 -4.188 1.00 0.00 C ATOM 1693 CD PRO A 111 125.384 2.790 -3.988 1.00 0.00 C ATOM 0 HA PRO A 111 122.310 3.742 -4.777 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.557 1.050 -4.245 1.00 0.00 H new ATOM 0 HB3 PRO A 111 123.194 1.734 -5.727 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.638 0.889 -3.259 1.00 0.00 H new ATOM 0 HG3 PRO A 111 125.173 0.848 -4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.930 2.803 -3.045 1.00 0.00 H new ATOM 0 HD3 PRO A 111 126.112 2.964 -4.780 1.00 0.00 H new ATOM 1701 N ILE A 112 120.909 3.023 -2.835 1.00 0.00 N ATOM 1702 CA ILE A 112 120.104 2.963 -1.612 1.00 0.00 C ATOM 1703 C ILE A 112 120.444 1.734 -0.750 1.00 0.00 C ATOM 1704 O ILE A 112 120.048 1.695 0.413 1.00 0.00 O ATOM 1705 CB ILE A 112 118.600 2.983 -1.962 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.278 4.287 -2.700 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.744 2.921 -0.685 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.847 4.260 -3.251 1.00 0.00 C ATOM 0 H ILE A 112 120.372 2.972 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 112 120.345 3.845 -1.018 1.00 0.00 H new ATOM 0 HB ILE A 112 118.375 2.118 -2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.396 5.133 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.985 4.432 -3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.688 2.936 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.967 2.003 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.970 3.780 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.640 5.195 -3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.740 3.427 -3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.143 4.138 -2.428 1.00 0.00 H new ATOM 1720 N THR A 113 121.205 0.770 -1.278 1.00 0.00 N ATOM 1721 CA THR A 113 121.424 -0.502 -0.583 1.00 0.00 C ATOM 1722 C THR A 113 121.718 -0.393 0.926 1.00 0.00 C ATOM 1723 O THR A 113 121.164 -1.204 1.671 1.00 0.00 O ATOM 1724 CB THR A 113 122.475 -1.363 -1.313 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.278 -2.723 -0.952 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.920 -0.972 -0.979 1.00 0.00 C ATOM 0 H THR A 113 121.677 0.845 -2.179 1.00 0.00 H new ATOM 0 HA THR A 113 120.460 -1.009 -0.625 1.00 0.00 H new ATOM 0 HB THR A 113 122.337 -1.200 -2.382 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.939 -3.282 -1.411 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.607 -1.617 -1.526 1.00 0.00 H new ATOM 0 HG22 THR A 113 124.091 0.066 -1.265 1.00 0.00 H new ATOM 0 HG23 THR A 113 124.090 -1.086 0.092 1.00 0.00 H new ATOM 1734 N PRO A 114 122.496 0.557 1.429 1.00 0.00 N ATOM 1735 CA PRO A 114 122.850 0.569 2.887 1.00 0.00 C ATOM 1736 C PRO A 114 121.616 0.655 3.786 1.00 0.00 C ATOM 1737 O PRO A 114 121.607 0.112 4.891 1.00 0.00 O ATOM 1738 CB PRO A 114 123.751 1.796 3.068 1.00 0.00 C ATOM 1739 CG PRO A 114 124.217 2.147 1.699 1.00 0.00 C ATOM 1740 CD PRO A 114 123.082 1.738 0.765 1.00 0.00 C ATOM 0 HA PRO A 114 123.347 -0.357 3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.203 2.623 3.521 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.592 1.573 3.725 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.427 3.213 1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.139 1.620 1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.350 2.537 0.649 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.450 1.496 -0.232 1.00 0.00 H new ATOM 1748 N ILE A 115 120.577 1.337 3.311 1.00 0.00 N ATOM 1749 CA ILE A 115 119.337 1.482 4.083 1.00 0.00 C ATOM 1750 C ILE A 115 118.242 0.496 3.660 1.00 0.00 C ATOM 1751 O ILE A 115 117.114 0.610 4.130 1.00 0.00 O ATOM 1752 CB ILE A 115 118.781 2.913 3.989 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.726 3.388 2.529 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.655 3.865 4.811 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.935 4.699 2.415 1.00 0.00 C ATOM 0 H ILE A 115 120.564 1.797 2.401 1.00 0.00 H new ATOM 0 HA ILE A 115 119.613 1.257 5.113 1.00 0.00 H new ATOM 0 HB ILE A 115 117.767 2.913 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.738 3.534 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.261 2.622 1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.256 4.877 4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.658 3.548 5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.674 3.849 4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.908 5.018 1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.917 4.542 2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.417 5.469 3.018 1.00 0.00 H new ATOM 1767 N ARG A 116 118.551 -0.462 2.787 1.00 0.00 N ATOM 1768 CA ARG A 116 117.554 -1.430 2.339 1.00 0.00 C ATOM 1769 C ARG A 116 117.319 -2.488 3.414 1.00 0.00 C ATOM 1770 O ARG A 116 118.259 -2.939 4.067 1.00 0.00 O ATOM 1771 CB ARG A 116 118.030 -2.096 1.047 1.00 0.00 C ATOM 1772 CG ARG A 116 116.912 -2.963 0.470 1.00 0.00 C ATOM 1773 CD ARG A 116 117.428 -3.700 -0.768 1.00 0.00 C ATOM 1774 NE ARG A 116 117.847 -2.737 -1.792 1.00 0.00 N ATOM 1775 CZ ARG A 116 118.580 -3.071 -2.865 1.00 0.00 C ATOM 1776 NH1 ARG A 116 118.982 -4.300 -3.083 1.00 0.00 N ATOM 1777 NH2 ARG A 116 118.904 -2.141 -3.721 1.00 0.00 N ATOM 0 H ARG A 116 119.477 -0.587 2.379 1.00 0.00 H new ATOM 0 HA ARG A 116 116.615 -0.909 2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.325 -1.337 0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.911 -2.707 1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.570 -3.679 1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 116 116.055 -2.343 0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 116 118.267 -4.341 -0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 116 116.648 -4.349 -1.166 1.00 0.00 H new ATOM 0 HE ARG A 116 117.566 -1.762 -1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 116 118.739 -5.040 -2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 116 119.538 -4.515 -3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 116 118.601 -1.179 -3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 116 119.461 -2.376 -4.543 1.00 0.00 H new ATOM 1791 N ALA A 117 116.061 -2.880 3.593 1.00 0.00 N ATOM 1792 CA ALA A 117 115.702 -3.824 4.644 1.00 0.00 C ATOM 1793 C ALA A 117 115.846 -5.269 4.181 1.00 0.00 C ATOM 1794 O ALA A 117 115.613 -5.587 3.015 1.00 0.00 O ATOM 1795 CB ALA A 117 114.251 -3.585 5.065 1.00 0.00 C ATOM 0 H ALA A 117 115.276 -2.559 3.026 1.00 0.00 H new ATOM 0 HA ALA A 117 116.381 -3.663 5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 117 113.979 -4.290 5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.143 -2.566 5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.595 -3.728 4.207 1.00 0.00 H new ATOM 1883 N ILE A 125 114.616 -6.814 0.271 1.00 0.00 N ATOM 1884 CA ILE A 125 113.332 -6.378 -0.266 1.00 0.00 C ATOM 1885 C ILE A 125 113.546 -5.431 -1.448 1.00 0.00 C ATOM 1886 O ILE A 125 114.354 -4.505 -1.382 1.00 0.00 O ATOM 1887 CB ILE A 125 112.530 -5.704 0.855 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.286 -6.722 1.976 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.178 -5.210 0.333 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.787 -6.011 3.237 1.00 0.00 C ATOM 0 HA ILE A 125 112.770 -7.236 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 125 113.098 -4.851 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.553 -7.461 1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.208 -7.261 2.194 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.626 -4.736 1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.339 -4.488 -0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.605 -6.055 -0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.618 -6.744 4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.534 -5.289 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 125 110.854 -5.492 3.017 1.00 0.00 H new ATOM 1902 N SER A 126 112.807 -5.680 -2.526 1.00 0.00 N ATOM 1903 CA SER A 126 112.964 -4.916 -3.761 1.00 0.00 C ATOM 1904 C SER A 126 112.578 -3.454 -3.579 1.00 0.00 C ATOM 1905 O SER A 126 111.611 -3.129 -2.890 1.00 0.00 O ATOM 1906 CB SER A 126 112.096 -5.532 -4.858 1.00 0.00 C ATOM 1907 OG SER A 126 112.491 -6.882 -5.062 1.00 0.00 O ATOM 0 H SER A 126 112.092 -6.406 -2.569 1.00 0.00 H new ATOM 0 HA SER A 126 114.017 -4.954 -4.041 1.00 0.00 H new ATOM 0 HB2 SER A 126 111.044 -5.487 -4.575 1.00 0.00 H new ATOM 0 HB3 SER A 126 112.202 -4.966 -5.783 1.00 0.00 H new ATOM 0 HG SER A 126 111.936 -7.283 -5.764 1.00 0.00 H new ATOM 1913 N LEU A 127 113.353 -2.581 -4.212 1.00 0.00 N ATOM 1914 CA LEU A 127 113.010 -1.160 -4.284 1.00 0.00 C ATOM 1915 C LEU A 127 112.215 -0.819 -5.557 1.00 0.00 C ATOM 1916 O LEU A 127 112.001 0.355 -5.855 1.00 0.00 O ATOM 1917 CB LEU A 127 114.287 -0.311 -4.266 1.00 0.00 C ATOM 1918 CG LEU A 127 115.141 -0.645 -3.039 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.436 0.168 -3.086 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.374 -0.293 -1.762 1.00 0.00 C ATOM 0 H LEU A 127 114.223 -2.829 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 127 112.387 -0.939 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.862 -0.490 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 127 114.026 0.747 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 127 115.372 -1.710 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 127 117.046 -0.068 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.988 -0.080 -3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.198 1.232 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.986 -0.533 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 127 114.141 0.772 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.448 -0.867 -1.724 1.00 0.00 H new ATOM 1932 N GLY A 128 111.778 -1.829 -6.314 1.00 0.00 N ATOM 1933 CA GLY A 128 111.123 -1.596 -7.599 1.00 0.00 C ATOM 1934 C GLY A 128 110.014 -0.548 -7.516 1.00 0.00 C ATOM 1935 O GLY A 128 109.941 0.346 -8.359 1.00 0.00 O ATOM 0 H GLY A 128 111.867 -2.812 -6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.867 -1.274 -8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.704 -2.534 -7.964 1.00 0.00 H new ATOM 1939 N ALA A 129 109.168 -0.639 -6.494 1.00 0.00 N ATOM 1940 CA ALA A 129 108.037 0.278 -6.376 1.00 0.00 C ATOM 1941 C ALA A 129 108.520 1.723 -6.298 1.00 0.00 C ATOM 1942 O ALA A 129 108.022 2.599 -7.008 1.00 0.00 O ATOM 1943 CB ALA A 129 107.219 -0.057 -5.128 1.00 0.00 C ATOM 0 H ALA A 129 109.241 -1.328 -5.745 1.00 0.00 H new ATOM 0 HA ALA A 129 107.411 0.165 -7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.378 0.632 -5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.846 -1.078 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.849 0.036 -4.244 1.00 0.00 H new ATOM 1949 N LEU A 130 109.516 1.964 -5.454 1.00 0.00 N ATOM 1950 CA LEU A 130 110.044 3.312 -5.281 1.00 0.00 C ATOM 1951 C LEU A 130 110.570 3.852 -6.608 1.00 0.00 C ATOM 1952 O LEU A 130 110.323 5.004 -6.967 1.00 0.00 O ATOM 1953 CB LEU A 130 111.166 3.287 -4.243 1.00 0.00 C ATOM 1954 CG LEU A 130 111.652 4.710 -3.967 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.561 5.491 -3.232 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.911 4.652 -3.099 1.00 0.00 C ATOM 0 H LEU A 130 109.971 1.251 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 130 109.244 3.967 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.809 2.830 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.993 2.675 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 130 111.878 5.208 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.909 6.505 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.663 5.528 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.333 4.997 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.262 5.664 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.681 4.155 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.688 4.095 -3.622 1.00 0.00 H new ATOM 1968 N LEU A 131 111.269 3.001 -7.350 1.00 0.00 N ATOM 1969 CA LEU A 131 111.831 3.409 -8.632 1.00 0.00 C ATOM 1970 C LEU A 131 110.725 3.860 -9.577 1.00 0.00 C ATOM 1971 O LEU A 131 110.848 4.886 -10.243 1.00 0.00 O ATOM 1972 CB LEU A 131 112.605 2.241 -9.252 1.00 0.00 C ATOM 1973 CG LEU A 131 113.277 2.682 -10.557 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.431 3.635 -10.244 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.821 1.453 -11.288 1.00 0.00 C ATOM 0 H LEU A 131 111.459 2.033 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 131 112.511 4.245 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.358 1.882 -8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.928 1.409 -9.447 1.00 0.00 H new ATOM 0 HG LEU A 131 112.546 3.191 -11.186 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.907 3.947 -11.173 1.00 0.00 H new ATOM 0 HD12 LEU A 131 114.048 4.511 -9.721 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.162 3.127 -9.615 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.299 1.764 -12.217 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.551 0.947 -10.656 1.00 0.00 H new ATOM 0 HD23 LEU A 131 113.001 0.771 -11.513 1.00 0.00 H new ATOM 1987 N SER A 132 109.630 3.109 -9.609 1.00 0.00 N ATOM 1988 CA SER A 132 108.538 3.416 -10.525 1.00 0.00 C ATOM 1989 C SER A 132 108.003 4.819 -10.270 1.00 0.00 C ATOM 1990 O SER A 132 107.795 5.593 -11.203 1.00 0.00 O ATOM 1991 CB SER A 132 107.411 2.397 -10.357 1.00 0.00 C ATOM 1992 OG SER A 132 106.446 2.595 -11.382 1.00 0.00 O ATOM 0 H SER A 132 109.475 2.292 -9.018 1.00 0.00 H new ATOM 0 HA SER A 132 108.920 3.366 -11.545 1.00 0.00 H new ATOM 0 HB2 SER A 132 107.810 1.384 -10.407 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.947 2.508 -9.377 1.00 0.00 H new ATOM 0 HG SER A 132 105.722 1.943 -11.280 1.00 0.00 H new ATOM 1998 N THR A 133 107.817 5.156 -8.998 1.00 0.00 N ATOM 1999 CA THR A 133 107.264 6.460 -8.649 1.00 0.00 C ATOM 2000 C THR A 133 108.164 7.578 -9.162 1.00 0.00 C ATOM 2001 O THR A 133 107.696 8.526 -9.799 1.00 0.00 O ATOM 2002 CB THR A 133 107.113 6.575 -7.130 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.357 5.474 -6.646 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.395 7.880 -6.782 1.00 0.00 C ATOM 0 H THR A 133 108.037 4.556 -8.203 1.00 0.00 H new ATOM 0 HA THR A 133 106.284 6.556 -9.117 1.00 0.00 H new ATOM 0 HB THR A 133 108.100 6.572 -6.667 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.261 5.545 -5.673 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.289 7.959 -5.700 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.976 8.725 -7.153 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.408 7.887 -7.245 1.00 0.00 H new ATOM 2012 N THR A 134 109.463 7.448 -8.914 1.00 0.00 N ATOM 2013 CA THR A 134 110.404 8.487 -9.319 1.00 0.00 C ATOM 2014 C THR A 134 110.413 8.650 -10.837 1.00 0.00 C ATOM 2015 O THR A 134 110.455 9.769 -11.346 1.00 0.00 O ATOM 2016 CB THR A 134 111.809 8.159 -8.816 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.748 7.868 -7.427 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.726 9.362 -9.045 1.00 0.00 C ATOM 0 H THR A 134 109.884 6.647 -8.442 1.00 0.00 H new ATOM 0 HA THR A 134 110.082 9.428 -8.874 1.00 0.00 H new ATOM 0 HB THR A 134 112.202 7.297 -9.356 1.00 0.00 H new ATOM 0 HG1 THR A 134 110.925 8.244 -7.050 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.729 9.129 -8.686 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.766 9.592 -10.110 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.338 10.224 -8.502 1.00 0.00 H new ATOM 2026 N LEU A 135 110.355 7.536 -11.561 1.00 0.00 N ATOM 2027 CA LEU A 135 110.362 7.585 -13.020 1.00 0.00 C ATOM 2028 C LEU A 135 109.161 8.367 -13.543 1.00 0.00 C ATOM 2029 O LEU A 135 109.279 9.122 -14.508 1.00 0.00 O ATOM 2030 CB LEU A 135 110.341 6.167 -13.596 1.00 0.00 C ATOM 2031 CG LEU A 135 111.652 5.454 -13.257 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.534 3.971 -13.614 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.794 6.077 -14.063 1.00 0.00 C ATOM 0 H LEU A 135 110.303 6.597 -11.166 1.00 0.00 H new ATOM 0 HA LEU A 135 111.274 8.091 -13.337 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.497 5.611 -13.188 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.205 6.205 -14.677 1.00 0.00 H new ATOM 0 HG LEU A 135 111.856 5.559 -12.191 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.468 3.463 -13.373 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.720 3.523 -13.044 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.330 3.868 -14.680 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.728 5.570 -13.822 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.588 5.971 -15.128 1.00 0.00 H new ATOM 0 HD23 LEU A 135 112.881 7.135 -13.814 1.00 0.00 H new ATOM 2045 N ASN A 136 108.007 8.182 -12.908 1.00 0.00 N ATOM 2046 CA ASN A 136 106.805 8.900 -13.318 1.00 0.00 C ATOM 2047 C ASN A 136 107.033 10.405 -13.231 1.00 0.00 C ATOM 2048 O ASN A 136 106.639 11.157 -14.122 1.00 0.00 O ATOM 2049 CB ASN A 136 105.628 8.505 -12.422 1.00 0.00 C ATOM 2050 CG ASN A 136 105.301 7.024 -12.599 1.00 0.00 C ATOM 2051 OD1 ASN A 136 105.630 6.429 -13.626 1.00 0.00 O ATOM 2052 ND2 ASN A 136 104.668 6.390 -11.651 1.00 0.00 N ATOM 0 H ASN A 136 107.879 7.550 -12.118 1.00 0.00 H new ATOM 0 HA ASN A 136 106.576 8.635 -14.350 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.872 8.709 -11.379 1.00 0.00 H new ATOM 0 HB3 ASN A 136 104.755 9.109 -12.669 1.00 0.00 H new ATOM 0 HD21 ASN A 136 104.445 5.401 -11.760 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.396 6.884 -10.801 1.00 0.00 H new ATOM 2059 N LEU A 137 107.674 10.835 -12.148 1.00 0.00 N ATOM 2060 CA LEU A 137 107.999 12.249 -11.978 1.00 0.00 C ATOM 2061 C LEU A 137 108.967 12.727 -13.059 1.00 0.00 C ATOM 2062 O LEU A 137 108.851 13.847 -13.555 1.00 0.00 O ATOM 2063 CB LEU A 137 108.618 12.481 -10.597 1.00 0.00 C ATOM 2064 CG LEU A 137 107.646 12.026 -9.506 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.318 12.159 -8.138 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.390 12.901 -9.534 1.00 0.00 C ATOM 0 H LEU A 137 107.976 10.233 -11.382 1.00 0.00 H new ATOM 0 HA LEU A 137 107.075 12.820 -12.066 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.556 11.932 -10.513 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.854 13.537 -10.468 1.00 0.00 H new ATOM 0 HG LEU A 137 107.370 10.987 -9.683 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.627 11.835 -7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.213 11.537 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.594 13.200 -7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.701 12.573 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.667 13.941 -9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.907 12.813 -10.507 1.00 0.00 H new ATOM 2078 N CYS A 138 109.918 11.871 -13.421 1.00 0.00 N ATOM 2079 CA CYS A 138 110.879 12.208 -14.472 1.00 0.00 C ATOM 2080 C CYS A 138 110.188 12.490 -15.812 1.00 0.00 C ATOM 2081 O CYS A 138 110.733 13.211 -16.648 1.00 0.00 O ATOM 2082 CB CYS A 138 111.872 11.053 -14.650 1.00 0.00 C ATOM 2083 SG CYS A 138 113.239 11.191 -13.466 1.00 0.00 S ATOM 0 H CYS A 138 110.045 10.947 -13.008 1.00 0.00 H new ATOM 0 HA CYS A 138 111.400 13.115 -14.164 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.359 10.102 -14.511 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.264 11.058 -15.667 1.00 0.00 H new ATOM 2088 N GLY A 139 108.996 11.931 -16.020 1.00 0.00 N ATOM 2089 CA GLY A 139 108.264 12.150 -17.266 1.00 0.00 C ATOM 2090 C GLY A 139 108.760 11.254 -18.406 1.00 0.00 C ATOM 2091 O GLY A 139 108.570 11.583 -19.576 1.00 0.00 O ATOM 0 H GLY A 139 108.521 11.329 -15.348 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.203 11.964 -17.098 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.361 13.195 -17.561 1.00 0.00 H new