USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 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 -73:sc= 1.25 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.944 K(o=2.2,f=-5.9!) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc=-0.00257 (180deg=-0.371) USER MOD Single : A 60 GLN : amide:sc= -0.905 K(o=-0.9,f=-2.7!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -75:sc= 0.594 USER MOD Single : A 77 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-4.2!) 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= 0.0268 USER MOD Single : A 101 ASN : amide:sc= -1.54 K(o=-1.5,f=-5.5!) USER MOD Single : A 106 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.246) USER MOD Single : A 109 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=0) 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= 0.492 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot -20:sc= -0.934 USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 108.884 16.455 -8.343 1.00 0.00 N ATOM 920 CA LYS A 59 109.223 16.123 -6.958 1.00 0.00 C ATOM 921 C LYS A 59 107.994 15.711 -6.143 1.00 0.00 C ATOM 922 O LYS A 59 106.914 16.280 -6.299 1.00 0.00 O ATOM 923 CB LYS A 59 109.886 17.337 -6.303 1.00 0.00 C ATOM 924 CG LYS A 59 110.394 16.971 -4.908 1.00 0.00 C ATOM 925 CD LYS A 59 110.978 18.217 -4.239 1.00 0.00 C ATOM 926 CE LYS A 59 111.628 17.829 -2.911 1.00 0.00 C ATOM 927 NZ LYS A 59 112.928 17.150 -3.174 1.00 0.00 N ATOM 0 HA LYS A 59 109.904 15.272 -6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.714 17.685 -6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 59 109.172 18.158 -6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 59 109.579 16.569 -4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 59 111.153 16.192 -4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.715 18.682 -4.894 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.192 18.953 -4.070 1.00 0.00 H new ATOM 0 HE2 LYS A 59 111.786 18.717 -2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 59 110.967 17.168 -2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 113.492 17.129 -2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 112.752 16.177 -3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 113.449 17.670 -3.909 1.00 0.00 H new ATOM 941 N GLN A 60 108.173 14.717 -5.273 1.00 0.00 N ATOM 942 CA GLN A 60 107.130 14.325 -4.323 1.00 0.00 C ATOM 943 C GLN A 60 107.737 13.865 -3.002 1.00 0.00 C ATOM 944 O GLN A 60 108.866 13.380 -2.962 1.00 0.00 O ATOM 945 CB GLN A 60 106.259 13.188 -4.864 1.00 0.00 C ATOM 946 CG GLN A 60 105.407 13.682 -6.032 1.00 0.00 C ATOM 947 CD GLN A 60 104.402 12.603 -6.428 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.736 11.693 -7.186 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.187 12.633 -5.943 1.00 0.00 N ATOM 0 H GLN A 60 109.030 14.168 -5.206 1.00 0.00 H new ATOM 0 HA GLN A 60 106.513 15.210 -4.168 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.890 12.361 -5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.615 12.805 -4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.883 14.596 -5.752 1.00 0.00 H new ATOM 0 HG3 GLN A 60 106.044 13.928 -6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.907 13.386 -5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.520 11.903 -6.193 1.00 0.00 H new ATOM 958 N ASP A 61 106.976 14.011 -1.924 1.00 0.00 N ATOM 959 CA ASP A 61 107.386 13.471 -0.631 1.00 0.00 C ATOM 960 C ASP A 61 106.760 12.095 -0.426 1.00 0.00 C ATOM 961 O ASP A 61 105.549 11.933 -0.571 1.00 0.00 O ATOM 962 CB ASP A 61 106.946 14.411 0.495 1.00 0.00 C ATOM 963 CG ASP A 61 107.627 15.771 0.355 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.744 15.811 -0.137 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.020 16.754 0.744 1.00 0.00 O ATOM 0 H ASP A 61 106.078 14.495 -1.917 1.00 0.00 H new ATOM 0 HA ASP A 61 108.472 13.380 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.863 14.536 0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.194 13.971 1.461 1.00 0.00 H new ATOM 970 N ILE A 62 107.581 11.102 -0.090 1.00 0.00 N ATOM 971 CA ILE A 62 107.086 9.735 0.087 1.00 0.00 C ATOM 972 C ILE A 62 107.500 9.189 1.455 1.00 0.00 C ATOM 973 O ILE A 62 108.612 9.442 1.914 1.00 0.00 O ATOM 974 CB ILE A 62 107.622 8.854 -1.052 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.985 7.465 -0.979 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.146 8.727 -0.969 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.593 7.509 -1.611 1.00 0.00 C ATOM 0 H ILE A 62 108.583 11.214 0.064 1.00 0.00 H new ATOM 0 HA ILE A 62 105.997 9.731 0.051 1.00 0.00 H new ATOM 0 HB ILE A 62 107.363 9.324 -2.001 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.610 6.739 -1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.915 7.139 0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.504 8.099 -1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.598 9.716 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.422 8.276 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 62 105.139 6.520 -1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.971 8.223 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.676 7.816 -2.654 1.00 0.00 H new ATOM 989 N SER A 63 106.609 8.435 2.100 1.00 0.00 N ATOM 990 CA SER A 63 106.890 7.934 3.443 1.00 0.00 C ATOM 991 C SER A 63 106.316 6.536 3.660 1.00 0.00 C ATOM 992 O SER A 63 105.470 6.060 2.900 1.00 0.00 O ATOM 993 CB SER A 63 106.311 8.890 4.487 1.00 0.00 C ATOM 994 OG SER A 63 104.893 8.789 4.477 1.00 0.00 O ATOM 0 H SER A 63 105.702 8.162 1.721 1.00 0.00 H new ATOM 0 HA SER A 63 107.973 7.874 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.698 8.645 5.476 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.616 9.914 4.269 1.00 0.00 H new ATOM 0 HG SER A 63 104.540 9.225 3.673 1.00 0.00 H new ATOM 1000 N GLU A 64 106.787 5.882 4.718 1.00 0.00 N ATOM 1001 CA GLU A 64 106.315 4.546 5.057 1.00 0.00 C ATOM 1002 C GLU A 64 104.798 4.518 5.219 1.00 0.00 C ATOM 1003 O GLU A 64 104.148 3.553 4.819 1.00 0.00 O ATOM 1004 CB GLU A 64 106.982 4.068 6.351 1.00 0.00 C ATOM 1005 CG GLU A 64 106.704 5.061 7.486 1.00 0.00 C ATOM 1006 CD GLU A 64 107.449 4.683 8.771 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.047 3.617 8.825 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.410 5.477 9.696 1.00 0.00 O ATOM 0 H GLU A 64 107.493 6.255 5.353 1.00 0.00 H new ATOM 0 HA GLU A 64 106.583 3.877 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.605 3.081 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.057 3.968 6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.003 6.062 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.633 5.095 7.684 1.00 0.00 H new ATOM 1015 N ALA A 65 104.229 5.589 5.763 1.00 0.00 N ATOM 1016 CA ALA A 65 102.789 5.638 5.988 1.00 0.00 C ATOM 1017 C ALA A 65 102.030 5.460 4.676 1.00 0.00 C ATOM 1018 O ALA A 65 101.008 4.774 4.630 1.00 0.00 O ATOM 1019 CB ALA A 65 102.400 6.977 6.619 1.00 0.00 C ATOM 0 H ALA A 65 104.736 6.425 6.053 1.00 0.00 H new ATOM 0 HA ALA A 65 102.524 4.825 6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.323 7.003 6.783 1.00 0.00 H new ATOM 0 HB2 ALA A 65 102.915 7.093 7.573 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.685 7.790 5.952 1.00 0.00 H new ATOM 1025 N ASN A 66 102.535 6.076 3.611 1.00 0.00 N ATOM 1026 CA ASN A 66 101.843 6.037 2.328 1.00 0.00 C ATOM 1027 C ASN A 66 101.899 4.651 1.692 1.00 0.00 C ATOM 1028 O ASN A 66 100.883 4.148 1.214 1.00 0.00 O ATOM 1029 CB ASN A 66 102.462 7.048 1.362 1.00 0.00 C ATOM 1030 CG ASN A 66 102.463 8.441 1.983 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.510 8.937 2.398 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.346 9.108 2.055 1.00 0.00 N ATOM 0 H ASN A 66 103.409 6.601 3.610 1.00 0.00 H new ATOM 0 HA ASN A 66 100.800 6.288 2.520 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.482 6.751 1.118 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.901 7.059 0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.337 10.046 2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.481 8.693 1.710 1.00 0.00 H new ATOM 1039 N LEU A 67 103.083 4.040 1.675 1.00 0.00 N ATOM 1040 CA LEU A 67 103.243 2.752 0.996 1.00 0.00 C ATOM 1041 C LEU A 67 102.865 1.549 1.869 1.00 0.00 C ATOM 1042 O LEU A 67 102.783 0.430 1.361 1.00 0.00 O ATOM 1043 CB LEU A 67 104.681 2.580 0.483 1.00 0.00 C ATOM 1044 CG LEU A 67 105.131 3.787 -0.365 1.00 0.00 C ATOM 1045 CD1 LEU A 67 106.545 3.544 -0.932 1.00 0.00 C ATOM 1046 CD2 LEU A 67 104.152 4.039 -1.524 1.00 0.00 C ATOM 0 H LEU A 67 103.929 4.405 2.113 1.00 0.00 H new ATOM 0 HA LEU A 67 102.547 2.772 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.357 2.457 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.748 1.670 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 67 105.144 4.665 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 67 106.850 4.404 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 67 107.247 3.405 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 67 106.538 2.652 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 67 104.491 4.895 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 67 104.111 3.157 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 67 103.159 4.243 -1.124 1.00 0.00 H new ATOM 1058 N ALA A 68 102.628 1.755 3.166 1.00 0.00 N ATOM 1059 CA ALA A 68 102.231 0.659 4.050 1.00 0.00 C ATOM 1060 C ALA A 68 103.387 -0.343 4.169 1.00 0.00 C ATOM 1061 O ALA A 68 104.542 0.050 4.018 1.00 0.00 O ATOM 1062 CB ALA A 68 100.941 0.006 3.520 1.00 0.00 C ATOM 0 H ALA A 68 102.703 2.663 3.624 1.00 0.00 H new ATOM 0 HA ALA A 68 102.016 1.036 5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.648 -0.810 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.144 0.749 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 68 101.116 -0.384 2.517 1.00 0.00 H new ATOM 1068 N TYR A 69 103.107 -1.626 4.412 1.00 0.00 N ATOM 1069 CA TYR A 69 104.173 -2.618 4.574 1.00 0.00 C ATOM 1070 C TYR A 69 105.119 -2.662 3.365 1.00 0.00 C ATOM 1071 O TYR A 69 106.244 -3.148 3.476 1.00 0.00 O ATOM 1072 CB TYR A 69 103.559 -4.003 4.789 1.00 0.00 C ATOM 1073 CG TYR A 69 102.735 -4.104 6.050 1.00 0.00 C ATOM 1074 CD1 TYR A 69 103.365 -4.322 7.281 1.00 0.00 C ATOM 1075 CD2 TYR A 69 101.343 -3.979 5.990 1.00 0.00 C ATOM 1076 CE1 TYR A 69 102.603 -4.414 8.452 1.00 0.00 C ATOM 1077 CE2 TYR A 69 100.579 -4.071 7.161 1.00 0.00 C ATOM 1078 CZ TYR A 69 101.210 -4.288 8.391 1.00 0.00 C ATOM 1079 OH TYR A 69 100.457 -4.378 9.545 1.00 0.00 O ATOM 0 H TYR A 69 102.162 -1.999 4.500 1.00 0.00 H new ATOM 0 HA TYR A 69 104.761 -2.323 5.443 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.932 -4.251 3.933 1.00 0.00 H new ATOM 0 HB3 TYR A 69 104.357 -4.745 4.825 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.440 -4.419 7.327 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.857 -3.811 5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 69 103.089 -4.582 9.402 1.00 0.00 H new ATOM 0 HE2 TYR A 69 99.504 -3.975 7.114 1.00 0.00 H new ATOM 0 HH TYR A 69 99.508 -4.267 9.326 1.00 0.00 H new ATOM 1089 N LEU A 70 104.668 -2.161 2.218 1.00 0.00 N ATOM 1090 CA LEU A 70 105.494 -2.136 1.010 1.00 0.00 C ATOM 1091 C LEU A 70 106.807 -1.375 1.227 1.00 0.00 C ATOM 1092 O LEU A 70 107.797 -1.633 0.540 1.00 0.00 O ATOM 1093 CB LEU A 70 104.720 -1.485 -0.140 1.00 0.00 C ATOM 1094 CG LEU A 70 103.407 -2.235 -0.382 1.00 0.00 C ATOM 1095 CD1 LEU A 70 102.603 -1.514 -1.466 1.00 0.00 C ATOM 1096 CD2 LEU A 70 103.703 -3.664 -0.844 1.00 0.00 C ATOM 0 H LEU A 70 103.735 -1.766 2.098 1.00 0.00 H new ATOM 0 HA LEU A 70 105.738 -3.169 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 70 104.513 -0.441 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 70 105.325 -1.493 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 70 102.835 -2.265 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.668 -2.046 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 70 102.386 -0.496 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 70 103.181 -1.485 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.765 -4.193 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 70 104.277 -3.635 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 70 104.278 -4.183 -0.077 1.00 0.00 H new ATOM 1108 N TRP A 71 106.820 -0.441 2.176 1.00 0.00 N ATOM 1109 CA TRP A 71 107.996 0.382 2.430 1.00 0.00 C ATOM 1110 C TRP A 71 109.216 -0.507 2.717 1.00 0.00 C ATOM 1111 O TRP A 71 109.288 -1.098 3.796 1.00 0.00 O ATOM 1112 CB TRP A 71 107.728 1.264 3.649 1.00 0.00 C ATOM 1113 CG TRP A 71 108.699 2.389 3.799 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.633 2.479 4.770 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.848 3.584 2.976 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.337 3.655 4.605 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.898 4.368 3.508 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.181 4.060 1.834 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.276 5.581 2.926 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.558 5.276 1.246 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.603 6.035 1.788 1.00 0.00 C ATOM 0 H TRP A 71 106.026 -0.236 2.782 1.00 0.00 H new ATOM 0 HA TRP A 71 108.200 0.995 1.552 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.720 1.672 3.577 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.758 0.647 4.547 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.802 1.750 5.549 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.091 3.960 5.220 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.373 3.485 1.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.081 6.162 3.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 108.038 5.630 0.368 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.888 6.969 1.328 1.00 0.00 H new ATOM 1132 N PRO A 72 110.169 -0.626 1.814 1.00 0.00 N ATOM 1133 CA PRO A 72 111.324 -1.554 2.005 1.00 0.00 C ATOM 1134 C PRO A 72 112.499 -0.939 2.768 1.00 0.00 C ATOM 1135 O PRO A 72 113.423 -1.656 3.151 1.00 0.00 O ATOM 1136 CB PRO A 72 111.735 -1.889 0.574 1.00 0.00 C ATOM 1137 CG PRO A 72 111.448 -0.647 -0.200 1.00 0.00 C ATOM 1138 CD PRO A 72 110.291 0.058 0.509 1.00 0.00 C ATOM 0 HA PRO A 72 111.041 -2.414 2.612 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.790 -2.157 0.517 1.00 0.00 H new ATOM 0 HB3 PRO A 72 111.170 -2.737 0.187 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.327 -0.004 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 72 111.182 -0.886 -1.230 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.496 1.121 0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.368 -0.021 -0.066 1.00 0.00 H new ATOM 1146 N LEU A 73 112.501 0.380 2.939 1.00 0.00 N ATOM 1147 CA LEU A 73 113.644 1.057 3.549 1.00 0.00 C ATOM 1148 C LEU A 73 113.529 1.119 5.068 1.00 0.00 C ATOM 1149 O LEU A 73 112.438 1.244 5.623 1.00 0.00 O ATOM 1150 CB LEU A 73 113.764 2.481 3.010 1.00 0.00 C ATOM 1151 CG LEU A 73 113.872 2.466 1.485 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.902 3.911 0.988 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.161 1.753 1.061 1.00 0.00 C ATOM 0 H LEU A 73 111.735 0.996 2.668 1.00 0.00 H new ATOM 0 HA LEU A 73 114.530 0.477 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.896 3.066 3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.641 2.966 3.438 1.00 0.00 H new ATOM 0 HG LEU A 73 113.020 1.937 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.979 3.920 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.987 4.419 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.762 4.426 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.232 1.746 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 73 116.021 2.278 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.148 0.728 1.431 1.00 0.00 H new ATOM 1165 N THR A 74 114.682 1.029 5.725 1.00 0.00 N ATOM 1166 CA THR A 74 114.756 1.168 7.174 1.00 0.00 C ATOM 1167 C THR A 74 114.477 2.608 7.593 1.00 0.00 C ATOM 1168 O THR A 74 113.847 2.839 8.627 1.00 0.00 O ATOM 1169 CB THR A 74 116.144 0.750 7.670 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.123 1.611 7.109 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.428 -0.694 7.253 1.00 0.00 C ATOM 0 H THR A 74 115.581 0.860 5.273 1.00 0.00 H new ATOM 0 HA THR A 74 114.000 0.521 7.619 1.00 0.00 H new ATOM 0 HB THR A 74 116.177 0.821 8.757 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.266 1.375 6.169 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.416 -0.987 7.608 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.676 -1.353 7.687 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.395 -0.772 6.166 1.00 0.00 H new ATOM 1179 N VAL A 75 114.944 3.576 6.799 1.00 0.00 N ATOM 1180 CA VAL A 75 114.630 4.973 7.081 1.00 0.00 C ATOM 1181 C VAL A 75 113.135 5.173 6.889 1.00 0.00 C ATOM 1182 O VAL A 75 112.582 4.782 5.866 1.00 0.00 O ATOM 1183 CB VAL A 75 115.419 5.923 6.172 1.00 0.00 C ATOM 1184 CG1 VAL A 75 116.914 5.774 6.459 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.154 5.600 4.700 1.00 0.00 C ATOM 0 H VAL A 75 115.527 3.421 5.976 1.00 0.00 H new ATOM 0 HA VAL A 75 114.915 5.205 8.107 1.00 0.00 H new ATOM 0 HB VAL A 75 115.100 6.946 6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.477 6.448 5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.111 6.021 7.502 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.221 4.746 6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.722 6.284 4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.461 4.575 4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.090 5.711 4.489 1.00 0.00 H new ATOM 1195 N ASP A 76 112.480 5.760 7.881 1.00 0.00 N ATOM 1196 CA ASP A 76 111.023 5.791 7.897 1.00 0.00 C ATOM 1197 C ASP A 76 110.453 6.540 6.700 1.00 0.00 C ATOM 1198 O ASP A 76 109.361 6.209 6.234 1.00 0.00 O ATOM 1199 CB ASP A 76 110.521 6.429 9.195 1.00 0.00 C ATOM 1200 CG ASP A 76 110.921 5.578 10.399 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.014 4.370 10.250 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.129 6.149 11.456 1.00 0.00 O ATOM 0 H ASP A 76 112.927 6.216 8.676 1.00 0.00 H new ATOM 0 HA ASP A 76 110.677 4.759 7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 76 110.935 7.432 9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.437 6.533 9.160 1.00 0.00 H new ATOM 1207 N HIS A 77 111.162 7.558 6.218 1.00 0.00 N ATOM 1208 CA HIS A 77 110.672 8.322 5.078 1.00 0.00 C ATOM 1209 C HIS A 77 111.829 8.806 4.220 1.00 0.00 C ATOM 1210 O HIS A 77 112.994 8.577 4.544 1.00 0.00 O ATOM 1211 CB HIS A 77 109.836 9.510 5.559 1.00 0.00 C ATOM 1212 CG HIS A 77 110.541 10.386 6.558 1.00 0.00 C ATOM 1213 ND1 HIS A 77 110.990 9.904 7.777 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.865 11.720 6.540 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.554 10.931 8.436 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.506 12.063 7.728 1.00 0.00 N ATOM 0 H HIS A 77 112.060 7.867 6.591 1.00 0.00 H new ATOM 0 HA HIS A 77 110.043 7.671 4.471 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.552 10.114 4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 77 108.914 9.136 6.005 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.655 12.400 5.728 1.00 0.00 H new ATOM 0 HE1 HIS A 77 111.993 10.851 9.419 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.862 12.980 7.999 1.00 0.00 H new ATOM 1224 N GLY A 78 111.488 9.413 3.092 1.00 0.00 N ATOM 1225 CA GLY A 78 112.474 10.028 2.219 1.00 0.00 C ATOM 1226 C GLY A 78 111.765 10.811 1.122 1.00 0.00 C ATOM 1227 O GLY A 78 110.572 10.624 0.876 1.00 0.00 O ATOM 0 H GLY A 78 110.527 9.492 2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.121 10.691 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.113 9.263 1.779 1.00 0.00 H new ATOM 1231 N THR A 79 112.493 11.713 0.482 1.00 0.00 N ATOM 1232 CA THR A 79 111.925 12.523 -0.589 1.00 0.00 C ATOM 1233 C THR A 79 112.476 12.071 -1.936 1.00 0.00 C ATOM 1234 O THR A 79 113.655 11.754 -2.054 1.00 0.00 O ATOM 1235 CB THR A 79 112.261 13.996 -0.358 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.120 14.298 1.023 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.288 14.855 -1.166 1.00 0.00 C ATOM 0 H THR A 79 113.475 11.904 0.683 1.00 0.00 H new ATOM 0 HA THR A 79 110.842 12.399 -0.591 1.00 0.00 H new ATOM 0 HB THR A 79 113.285 14.199 -0.671 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.336 15.242 1.175 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.517 15.909 -1.010 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.385 14.616 -2.225 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.268 14.653 -0.840 1.00 0.00 H new ATOM 1245 N ILE A 80 111.621 12.041 -2.952 1.00 0.00 N ATOM 1246 CA ILE A 80 112.037 11.613 -4.285 1.00 0.00 C ATOM 1247 C ILE A 80 112.067 12.808 -5.228 1.00 0.00 C ATOM 1248 O ILE A 80 111.178 13.660 -5.187 1.00 0.00 O ATOM 1249 CB ILE A 80 111.075 10.545 -4.816 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.642 11.091 -4.831 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.144 9.314 -3.910 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.702 10.070 -5.473 1.00 0.00 C ATOM 0 H ILE A 80 110.639 12.307 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 80 113.038 11.186 -4.225 1.00 0.00 H new ATOM 0 HB ILE A 80 111.361 10.273 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.316 11.309 -3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.607 12.029 -5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.462 8.550 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.161 8.922 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.859 9.592 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.686 10.465 -5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 80 109.022 9.874 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.727 9.143 -4.901 1.00 0.00 H new ATOM 1264 N GLU A 81 113.104 12.882 -6.060 1.00 0.00 N ATOM 1265 CA GLU A 81 113.240 14.012 -6.970 1.00 0.00 C ATOM 1266 C GLU A 81 113.920 13.617 -8.276 1.00 0.00 C ATOM 1267 O GLU A 81 114.782 12.738 -8.310 1.00 0.00 O ATOM 1268 CB GLU A 81 114.034 15.131 -6.291 1.00 0.00 C ATOM 1269 CG GLU A 81 115.434 14.624 -5.920 1.00 0.00 C ATOM 1270 CD GLU A 81 116.226 15.668 -5.125 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.767 16.794 -4.990 1.00 0.00 O ATOM 1272 OE2 GLU A 81 117.301 15.323 -4.662 1.00 0.00 O ATOM 0 H GLU A 81 113.848 12.187 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 81 112.237 14.362 -7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 81 114.113 15.989 -6.958 1.00 0.00 H new ATOM 0 HB3 GLU A 81 113.511 15.469 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 81 115.346 13.710 -5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 81 115.980 14.368 -6.828 1.00 0.00 H new ATOM 1279 N CYS A 82 113.497 14.274 -9.351 1.00 0.00 N ATOM 1280 CA CYS A 82 114.139 14.118 -10.652 1.00 0.00 C ATOM 1281 C CYS A 82 114.896 15.394 -11.009 1.00 0.00 C ATOM 1282 O CYS A 82 114.326 16.485 -11.010 1.00 0.00 O ATOM 1283 CB CYS A 82 113.085 13.826 -11.723 1.00 0.00 C ATOM 1284 SG CYS A 82 112.558 12.099 -11.594 1.00 0.00 S ATOM 0 H CYS A 82 112.709 14.922 -9.347 1.00 0.00 H new ATOM 0 HA CYS A 82 114.840 13.284 -10.605 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.229 14.489 -11.597 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.495 14.019 -12.714 1.00 0.00 H new ATOM 1359 N ALA A 88 116.946 9.921 -11.755 1.00 0.00 N ATOM 1360 CA ALA A 88 116.055 9.719 -10.620 1.00 0.00 C ATOM 1361 C ALA A 88 116.855 9.333 -9.381 1.00 0.00 C ATOM 1362 O ALA A 88 117.565 8.327 -9.381 1.00 0.00 O ATOM 1363 CB ALA A 88 115.044 8.616 -10.942 1.00 0.00 C ATOM 0 HA ALA A 88 115.524 10.651 -10.423 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.381 8.470 -10.089 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.456 8.904 -11.814 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.574 7.687 -11.153 1.00 0.00 H new ATOM 1369 N VAL A 89 116.723 10.126 -8.319 1.00 0.00 N ATOM 1370 CA VAL A 89 117.446 9.855 -7.078 1.00 0.00 C ATOM 1371 C VAL A 89 116.522 9.942 -5.864 1.00 0.00 C ATOM 1372 O VAL A 89 115.488 10.610 -5.893 1.00 0.00 O ATOM 1373 CB VAL A 89 118.595 10.853 -6.907 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.595 10.686 -8.052 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.042 12.281 -6.917 1.00 0.00 C ATOM 0 H VAL A 89 116.128 10.954 -8.292 1.00 0.00 H new ATOM 0 HA VAL A 89 117.842 8.841 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 89 119.096 10.665 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.412 11.397 -7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 89 119.993 9.671 -8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.094 10.870 -9.002 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.861 12.989 -6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.538 12.469 -7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.333 12.402 -6.098 1.00 0.00 H new ATOM 1385 N PHE A 90 116.932 9.262 -4.799 1.00 0.00 N ATOM 1386 CA PHE A 90 116.184 9.222 -3.546 1.00 0.00 C ATOM 1387 C PHE A 90 116.976 9.915 -2.441 1.00 0.00 C ATOM 1388 O PHE A 90 118.141 9.605 -2.221 1.00 0.00 O ATOM 1389 CB PHE A 90 115.947 7.756 -3.171 1.00 0.00 C ATOM 1390 CG PHE A 90 115.246 7.546 -1.848 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.860 7.717 -1.747 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.988 7.158 -0.726 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.217 7.501 -0.520 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.346 6.943 0.499 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.961 7.112 0.600 1.00 0.00 C ATOM 0 H PHE A 90 117.796 8.720 -4.780 1.00 0.00 H new ATOM 0 HA PHE A 90 115.232 9.739 -3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.357 7.285 -3.958 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.908 7.243 -3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.287 8.015 -2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.057 7.024 -0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.148 7.635 -0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.919 6.647 1.365 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.465 6.942 1.544 1.00 0.00 H new ATOM 1405 N VAL A 91 116.340 10.852 -1.746 1.00 0.00 N ATOM 1406 CA VAL A 91 116.992 11.568 -0.652 1.00 0.00 C ATOM 1407 C VAL A 91 116.404 11.100 0.674 1.00 0.00 C ATOM 1408 O VAL A 91 115.188 11.071 0.837 1.00 0.00 O ATOM 1409 CB VAL A 91 116.765 13.078 -0.810 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.465 13.870 0.306 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.309 13.537 -2.168 1.00 0.00 C ATOM 0 H VAL A 91 115.375 11.134 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 91 118.063 11.364 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 91 115.693 13.267 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.284 14.936 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.071 13.561 1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.537 13.676 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.148 14.609 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.376 13.322 -2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.790 13.006 -2.966 1.00 0.00 H new ATOM 1421 N ALA A 92 117.269 10.757 1.623 1.00 0.00 N ATOM 1422 CA ALA A 92 116.797 10.324 2.940 1.00 0.00 C ATOM 1423 C ALA A 92 116.899 11.465 3.955 1.00 0.00 C ATOM 1424 O ALA A 92 117.710 12.370 3.770 1.00 0.00 O ATOM 1425 CB ALA A 92 117.629 9.134 3.424 1.00 0.00 C ATOM 0 H ALA A 92 118.283 10.768 1.512 1.00 0.00 H new ATOM 0 HA ALA A 92 115.752 10.028 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.274 8.816 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.531 8.310 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.676 9.427 3.496 1.00 0.00 H new ATOM 1431 N PRO A 93 116.109 11.458 5.011 1.00 0.00 N ATOM 1432 CA PRO A 93 116.177 12.538 6.046 1.00 0.00 C ATOM 1433 C PRO A 93 117.601 12.831 6.512 1.00 0.00 C ATOM 1434 O PRO A 93 117.900 13.942 6.950 1.00 0.00 O ATOM 1435 CB PRO A 93 115.336 12.007 7.209 1.00 0.00 C ATOM 1436 CG PRO A 93 114.395 11.020 6.611 1.00 0.00 C ATOM 1437 CD PRO A 93 115.054 10.478 5.343 1.00 0.00 C ATOM 0 HA PRO A 93 115.813 13.483 5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 93 115.966 11.538 7.965 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.795 12.815 7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.188 10.212 7.313 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.440 11.491 6.377 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.475 9.486 5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.332 10.385 4.532 1.00 0.00 H new ATOM 1445 N ASP A 94 118.474 11.835 6.422 1.00 0.00 N ATOM 1446 CA ASP A 94 119.853 11.998 6.877 1.00 0.00 C ATOM 1447 C ASP A 94 120.626 13.051 6.069 1.00 0.00 C ATOM 1448 O ASP A 94 121.710 13.467 6.478 1.00 0.00 O ATOM 1449 CB ASP A 94 120.577 10.645 6.810 1.00 0.00 C ATOM 1450 CG ASP A 94 120.486 10.012 5.417 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.067 10.686 4.489 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.847 8.852 5.291 1.00 0.00 O ATOM 0 H ASP A 94 118.257 10.914 6.042 1.00 0.00 H new ATOM 0 HA ASP A 94 119.817 12.356 7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.625 10.781 7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.145 9.966 7.545 1.00 0.00 H new ATOM 1457 N GLY A 95 120.083 13.488 4.931 1.00 0.00 N ATOM 1458 CA GLY A 95 120.774 14.450 4.070 1.00 0.00 C ATOM 1459 C GLY A 95 121.671 13.776 3.019 1.00 0.00 C ATOM 1460 O GLY A 95 122.448 14.451 2.343 1.00 0.00 O ATOM 0 H GLY A 95 119.170 13.192 4.585 1.00 0.00 H new ATOM 0 HA2 GLY A 95 120.036 15.073 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.381 15.112 4.688 1.00 0.00 H new ATOM 1464 N THR A 96 121.566 12.455 2.880 1.00 0.00 N ATOM 1465 CA THR A 96 122.361 11.706 1.922 1.00 0.00 C ATOM 1466 C THR A 96 121.525 11.431 0.682 1.00 0.00 C ATOM 1467 O THR A 96 120.338 11.125 0.788 1.00 0.00 O ATOM 1468 CB THR A 96 122.792 10.378 2.547 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.486 10.630 3.761 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.705 9.614 1.584 1.00 0.00 C ATOM 0 H THR A 96 120.927 11.880 3.429 1.00 0.00 H new ATOM 0 HA THR A 96 123.244 12.284 1.649 1.00 0.00 H new ATOM 0 HB THR A 96 121.907 9.775 2.749 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.761 9.780 4.163 1.00 0.00 H new ATOM 0 HG21 THR A 96 124.006 8.670 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.169 9.415 0.656 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.591 10.212 1.371 1.00 0.00 H new ATOM 1478 N THR A 97 122.143 11.544 -0.488 1.00 0.00 N ATOM 1479 CA THR A 97 121.441 11.262 -1.733 1.00 0.00 C ATOM 1480 C THR A 97 121.878 9.910 -2.286 1.00 0.00 C ATOM 1481 O THR A 97 123.068 9.611 -2.377 1.00 0.00 O ATOM 1482 CB THR A 97 121.735 12.357 -2.760 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.423 13.625 -2.200 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.886 12.128 -4.011 1.00 0.00 C ATOM 0 H THR A 97 123.117 11.825 -0.600 1.00 0.00 H new ATOM 0 HA THR A 97 120.370 11.237 -1.533 1.00 0.00 H new ATOM 0 HB THR A 97 122.791 12.328 -3.030 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.612 14.328 -2.856 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.097 12.909 -4.742 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.126 11.155 -4.440 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.830 12.156 -3.744 1.00 0.00 H new ATOM 1492 N TYR A 98 120.891 9.103 -2.649 1.00 0.00 N ATOM 1493 CA TYR A 98 121.131 7.777 -3.198 1.00 0.00 C ATOM 1494 C TYR A 98 120.581 7.716 -4.619 1.00 0.00 C ATOM 1495 O TYR A 98 119.605 8.390 -4.934 1.00 0.00 O ATOM 1496 CB TYR A 98 120.417 6.733 -2.336 1.00 0.00 C ATOM 1497 CG TYR A 98 120.838 6.723 -0.881 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.936 5.956 -0.473 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.123 7.474 0.061 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.318 5.941 0.876 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.506 7.460 1.408 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.602 6.693 1.817 1.00 0.00 C ATOM 1503 OH TYR A 98 121.980 6.676 3.147 1.00 0.00 O ATOM 0 H TYR A 98 119.904 9.349 -2.571 1.00 0.00 H new ATOM 0 HA TYR A 98 122.202 7.573 -3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.343 6.910 -2.389 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.598 5.745 -2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.489 5.376 -1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.275 8.065 -0.252 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.165 5.349 1.190 1.00 0.00 H new ATOM 0 HE2 TYR A 98 119.955 8.042 2.132 1.00 0.00 H new ATOM 0 HH TYR A 98 121.534 7.407 3.623 1.00 0.00 H new ATOM 1513 N ALA A 99 121.200 6.911 -5.473 1.00 0.00 N ATOM 1514 CA ALA A 99 120.748 6.784 -6.856 1.00 0.00 C ATOM 1515 C ALA A 99 119.669 5.712 -6.973 1.00 0.00 C ATOM 1516 O ALA A 99 119.852 4.583 -6.516 1.00 0.00 O ATOM 1517 CB ALA A 99 121.938 6.428 -7.753 1.00 0.00 C ATOM 0 H ALA A 99 122.011 6.339 -5.237 1.00 0.00 H new ATOM 0 HA ALA A 99 120.323 7.736 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.600 6.333 -8.785 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.690 7.214 -7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.371 5.483 -7.425 1.00 0.00 H new ATOM 1523 N LEU A 100 118.544 6.069 -7.587 1.00 0.00 N ATOM 1524 CA LEU A 100 117.454 5.118 -7.773 1.00 0.00 C ATOM 1525 C LEU A 100 117.642 4.339 -9.067 1.00 0.00 C ATOM 1526 O LEU A 100 117.618 3.109 -9.073 1.00 0.00 O ATOM 1527 CB LEU A 100 116.108 5.843 -7.841 1.00 0.00 C ATOM 1528 CG LEU A 100 115.665 6.294 -6.450 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.589 7.369 -6.604 1.00 0.00 C ATOM 1530 CD2 LEU A 100 115.074 5.102 -5.693 1.00 0.00 C ATOM 0 H LEU A 100 118.365 7.001 -7.961 1.00 0.00 H new ATOM 0 HA LEU A 100 117.464 4.437 -6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.188 6.707 -8.500 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.355 5.183 -8.271 1.00 0.00 H new ATOM 0 HG LEU A 100 116.518 6.689 -5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.263 7.701 -5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 100 114.997 8.216 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.739 6.958 -7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.757 5.422 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.215 4.713 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.828 4.321 -5.599 1.00 0.00 H new ATOM 1542 N ASN A 101 117.830 5.069 -10.166 1.00 0.00 N ATOM 1543 CA ASN A 101 117.891 4.438 -11.487 1.00 0.00 C ATOM 1544 C ASN A 101 119.324 4.329 -12.007 1.00 0.00 C ATOM 1545 O ASN A 101 120.253 4.935 -11.471 1.00 0.00 O ATOM 1546 CB ASN A 101 117.003 5.201 -12.480 1.00 0.00 C ATOM 1547 CG ASN A 101 117.579 6.573 -12.822 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.633 6.956 -12.318 1.00 0.00 O ATOM 1549 ND2 ASN A 101 116.940 7.341 -13.661 1.00 0.00 N ATOM 0 H ASN A 101 117.941 6.083 -10.171 1.00 0.00 H new ATOM 0 HA ASN A 101 117.514 3.420 -11.385 1.00 0.00 H new ATOM 0 HB2 ASN A 101 116.893 4.616 -13.393 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.006 5.321 -12.057 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.315 8.259 -13.899 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.066 7.023 -14.079 1.00 0.00 H new ATOM 1556 N ASP A 102 119.489 3.546 -13.069 1.00 0.00 N ATOM 1557 CA ASP A 102 120.815 3.222 -13.582 1.00 0.00 C ATOM 1558 C ASP A 102 121.635 4.472 -13.887 1.00 0.00 C ATOM 1559 O ASP A 102 122.831 4.512 -13.606 1.00 0.00 O ATOM 1560 CB ASP A 102 120.684 2.382 -14.853 1.00 0.00 C ATOM 1561 CG ASP A 102 122.057 1.888 -15.296 1.00 0.00 C ATOM 1562 OD1 ASP A 102 122.496 0.875 -14.776 1.00 0.00 O ATOM 1563 OD2 ASP A 102 122.648 2.529 -16.148 1.00 0.00 O ATOM 0 H ASP A 102 118.721 3.124 -13.591 1.00 0.00 H new ATOM 0 HA ASP A 102 121.337 2.661 -12.807 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.024 1.533 -14.671 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.229 2.976 -15.646 1.00 0.00 H new ATOM 1568 N ARG A 103 121.000 5.492 -14.456 1.00 0.00 N ATOM 1569 CA ARG A 103 121.729 6.690 -14.865 1.00 0.00 C ATOM 1570 C ARG A 103 122.337 7.407 -13.662 1.00 0.00 C ATOM 1571 O ARG A 103 123.493 7.832 -13.704 1.00 0.00 O ATOM 1572 CB ARG A 103 120.801 7.618 -15.652 1.00 0.00 C ATOM 1573 CG ARG A 103 120.448 6.938 -16.978 1.00 0.00 C ATOM 1574 CD ARG A 103 119.611 7.877 -17.847 1.00 0.00 C ATOM 1575 NE ARG A 103 118.382 8.256 -17.147 1.00 0.00 N ATOM 1576 CZ ARG A 103 117.358 7.417 -16.943 1.00 0.00 C ATOM 1577 NH1 ARG A 103 117.380 6.169 -17.344 1.00 0.00 N ATOM 1578 NH2 ARG A 103 116.306 7.867 -16.320 1.00 0.00 N ATOM 0 H ARG A 103 119.998 5.515 -14.643 1.00 0.00 H new ATOM 0 HA ARG A 103 122.554 6.391 -15.511 1.00 0.00 H new ATOM 0 HB2 ARG A 103 119.897 7.825 -15.079 1.00 0.00 H new ATOM 0 HB3 ARG A 103 121.288 8.576 -15.835 1.00 0.00 H new ATOM 0 HG2 ARG A 103 121.360 6.659 -17.506 1.00 0.00 H new ATOM 0 HG3 ARG A 103 119.895 6.018 -16.787 1.00 0.00 H new ATOM 0 HD2 ARG A 103 120.188 8.769 -18.091 1.00 0.00 H new ATOM 0 HD3 ARG A 103 119.365 7.388 -18.790 1.00 0.00 H new ATOM 0 HE ARG A 103 118.301 9.210 -16.796 1.00 0.00 H new ATOM 0 HH11 ARG A 103 118.198 5.804 -17.831 1.00 0.00 H new ATOM 0 HH12 ARG A 103 116.579 5.563 -17.169 1.00 0.00 H new ATOM 0 HH21 ARG A 103 116.277 8.836 -16.002 1.00 0.00 H new ATOM 0 HH22 ARG A 103 115.511 7.251 -16.151 1.00 0.00 H new ATOM 1592 N ALA A 104 121.581 7.507 -12.573 1.00 0.00 N ATOM 1593 CA ALA A 104 122.104 8.102 -11.346 1.00 0.00 C ATOM 1594 C ALA A 104 123.316 7.322 -10.832 1.00 0.00 C ATOM 1595 O ALA A 104 124.262 7.905 -10.292 1.00 0.00 O ATOM 1596 CB ALA A 104 121.011 8.129 -10.276 1.00 0.00 C ATOM 0 H ALA A 104 120.614 7.188 -12.514 1.00 0.00 H new ATOM 0 HA ALA A 104 122.422 9.121 -11.567 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.407 8.574 -9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.168 8.721 -10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.679 7.112 -10.070 1.00 0.00 H new ATOM 1602 N GLU A 105 123.278 5.999 -10.975 1.00 0.00 N ATOM 1603 CA GLU A 105 124.422 5.172 -10.596 1.00 0.00 C ATOM 1604 C GLU A 105 125.633 5.517 -11.458 1.00 0.00 C ATOM 1605 O GLU A 105 126.752 5.622 -10.959 1.00 0.00 O ATOM 1606 CB GLU A 105 124.083 3.689 -10.756 1.00 0.00 C ATOM 1607 CG GLU A 105 122.937 3.317 -9.807 1.00 0.00 C ATOM 1608 CD GLU A 105 123.331 3.521 -8.343 1.00 0.00 C ATOM 1609 OE1 GLU A 105 124.515 3.614 -8.055 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.432 3.580 -7.520 1.00 0.00 O ATOM 0 H GLU A 105 122.480 5.482 -11.345 1.00 0.00 H new ATOM 0 HA GLU A 105 124.659 5.372 -9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 105 123.797 3.480 -11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 105 124.960 3.080 -10.539 1.00 0.00 H new ATOM 0 HG2 GLU A 105 122.061 3.924 -10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 105 122.654 2.277 -9.967 1.00 0.00 H new ATOM 1617 N LYS A 106 125.404 5.729 -12.751 1.00 0.00 N ATOM 1618 CA LYS A 106 126.478 6.135 -13.656 1.00 0.00 C ATOM 1619 C LYS A 106 127.116 7.453 -13.207 1.00 0.00 C ATOM 1620 O LYS A 106 128.317 7.659 -13.379 1.00 0.00 O ATOM 1621 CB LYS A 106 125.925 6.293 -15.075 1.00 0.00 C ATOM 1622 CG LYS A 106 127.074 6.561 -16.049 1.00 0.00 C ATOM 1623 CD LYS A 106 126.511 6.800 -17.452 1.00 0.00 C ATOM 1624 CE LYS A 106 127.661 6.908 -18.454 1.00 0.00 C ATOM 1625 NZ LYS A 106 128.470 8.122 -18.153 1.00 0.00 N ATOM 0 H LYS A 106 124.491 5.628 -13.195 1.00 0.00 H new ATOM 0 HA LYS A 106 127.245 5.361 -13.640 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.389 5.391 -15.369 1.00 0.00 H new ATOM 0 HB3 LYS A 106 125.209 7.114 -15.107 1.00 0.00 H new ATOM 0 HG2 LYS A 106 127.646 7.430 -15.723 1.00 0.00 H new ATOM 0 HG3 LYS A 106 127.760 5.714 -16.061 1.00 0.00 H new ATOM 0 HD2 LYS A 106 125.846 5.983 -17.732 1.00 0.00 H new ATOM 0 HD3 LYS A 106 125.916 7.713 -17.466 1.00 0.00 H new ATOM 0 HE2 LYS A 106 128.288 6.018 -18.401 1.00 0.00 H new ATOM 0 HE3 LYS A 106 127.269 6.962 -19.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 129.097 8.330 -18.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 127.836 8.930 -17.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 129.043 7.955 -17.301 1.00 0.00 H new ATOM 1639 N ALA A 107 126.306 8.339 -12.632 1.00 0.00 N ATOM 1640 CA ALA A 107 126.797 9.615 -12.109 1.00 0.00 C ATOM 1641 C ALA A 107 127.652 9.457 -10.841 1.00 0.00 C ATOM 1642 O ALA A 107 128.159 10.446 -10.313 1.00 0.00 O ATOM 1643 CB ALA A 107 125.612 10.530 -11.800 1.00 0.00 C ATOM 0 H ALA A 107 125.303 8.197 -12.515 1.00 0.00 H new ATOM 0 HA ALA A 107 127.435 10.048 -12.880 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.978 11.480 -11.411 1.00 0.00 H new ATOM 0 HB2 ALA A 107 125.042 10.707 -12.712 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.971 10.056 -11.057 1.00 0.00 H new ATOM 1649 N GLY A 108 127.818 8.228 -10.353 1.00 0.00 N ATOM 1650 CA GLY A 108 128.643 7.978 -9.176 1.00 0.00 C ATOM 1651 C GLY A 108 127.934 8.309 -7.864 1.00 0.00 C ATOM 1652 O GLY A 108 128.595 8.569 -6.857 1.00 0.00 O ATOM 0 H GLY A 108 127.392 7.393 -10.755 1.00 0.00 H new ATOM 0 HA2 GLY A 108 128.942 6.930 -9.166 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.556 8.569 -9.248 1.00 0.00 H new ATOM 1656 N HIS A 109 126.599 8.305 -7.867 1.00 0.00 N ATOM 1657 CA HIS A 109 125.855 8.474 -6.623 1.00 0.00 C ATOM 1658 C HIS A 109 125.749 7.119 -5.910 1.00 0.00 C ATOM 1659 O HIS A 109 125.462 6.122 -6.577 1.00 0.00 O ATOM 1660 CB HIS A 109 124.453 9.004 -6.925 1.00 0.00 C ATOM 1661 CG HIS A 109 124.400 10.499 -7.090 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.305 11.358 -6.006 1.00 0.00 N ATOM 1663 CD2 HIS A 109 124.430 11.302 -8.204 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.280 12.614 -6.486 1.00 0.00 C ATOM 1665 NE2 HIS A 109 124.353 12.638 -7.820 1.00 0.00 N ATOM 0 H HIS A 109 126.023 8.189 -8.701 1.00 0.00 H new ATOM 0 HA HIS A 109 126.375 9.187 -5.983 1.00 0.00 H new ATOM 0 HB2 HIS A 109 124.083 8.532 -7.835 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.781 8.711 -6.119 1.00 0.00 H new ATOM 0 HD2 HIS A 109 124.502 10.951 -9.223 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.209 13.497 -5.868 1.00 0.00 H new ATOM 0 HE2 HIS A 109 124.352 13.458 -8.426 1.00 0.00 H new ATOM 1673 N PRO A 110 125.959 7.032 -4.609 1.00 0.00 N ATOM 1674 CA PRO A 110 125.870 5.716 -3.898 1.00 0.00 C ATOM 1675 C PRO A 110 124.459 5.122 -4.001 1.00 0.00 C ATOM 1676 O PRO A 110 123.495 5.882 -4.068 1.00 0.00 O ATOM 1677 CB PRO A 110 126.229 6.025 -2.438 1.00 0.00 C ATOM 1678 CG PRO A 110 126.856 7.377 -2.446 1.00 0.00 C ATOM 1679 CD PRO A 110 126.294 8.111 -3.660 1.00 0.00 C ATOM 0 HA PRO A 110 126.540 4.976 -4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.341 6.011 -1.806 1.00 0.00 H new ATOM 0 HB3 PRO A 110 126.916 5.279 -2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 110 126.626 7.916 -1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 110 127.942 7.300 -2.508 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.414 8.699 -3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 110 127.025 8.801 -4.082 1.00 0.00 H new ATOM 1687 N PRO A 111 124.302 3.815 -4.039 1.00 0.00 N ATOM 1688 CA PRO A 111 122.943 3.194 -4.106 1.00 0.00 C ATOM 1689 C PRO A 111 122.238 3.183 -2.750 1.00 0.00 C ATOM 1690 O PRO A 111 122.884 3.276 -1.706 1.00 0.00 O ATOM 1691 CB PRO A 111 123.208 1.776 -4.609 1.00 0.00 C ATOM 1692 CG PRO A 111 124.600 1.452 -4.185 1.00 0.00 C ATOM 1693 CD PRO A 111 125.351 2.775 -4.027 1.00 0.00 C ATOM 0 HA PRO A 111 122.273 3.756 -4.757 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.495 1.070 -4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 111 123.105 1.719 -5.693 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.596 0.899 -3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 111 125.089 0.819 -4.926 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.918 2.798 -3.097 1.00 0.00 H new ATOM 0 HD3 PRO A 111 126.063 2.924 -4.839 1.00 0.00 H new ATOM 1701 N ILE A 112 120.911 3.067 -2.771 1.00 0.00 N ATOM 1702 CA ILE A 112 120.131 3.026 -1.531 1.00 0.00 C ATOM 1703 C ILE A 112 120.486 1.810 -0.656 1.00 0.00 C ATOM 1704 O ILE A 112 120.092 1.775 0.509 1.00 0.00 O ATOM 1705 CB ILE A 112 118.622 3.035 -1.855 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.281 4.318 -2.622 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.789 3.010 -0.563 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.852 4.254 -3.174 1.00 0.00 C ATOM 0 H ILE A 112 120.356 3.000 -3.624 1.00 0.00 H new ATOM 0 HA ILE A 112 120.384 3.917 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 112 118.391 2.152 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.384 5.180 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.987 4.457 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.728 3.017 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 112 118.022 2.108 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 112 118.025 3.887 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.629 5.174 -3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.761 3.404 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.148 4.139 -2.350 1.00 0.00 H new ATOM 1720 N THR A 113 121.261 0.850 -1.172 1.00 0.00 N ATOM 1721 CA THR A 113 121.503 -0.409 -0.464 1.00 0.00 C ATOM 1722 C THR A 113 121.796 -0.279 1.044 1.00 0.00 C ATOM 1723 O THR A 113 121.259 -1.093 1.796 1.00 0.00 O ATOM 1724 CB THR A 113 122.568 -1.258 -1.184 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.408 -2.615 -0.800 1.00 0.00 O ATOM 1726 CG2 THR A 113 124.005 -0.825 -0.864 1.00 0.00 C ATOM 0 H THR A 113 121.730 0.922 -2.075 1.00 0.00 H new ATOM 0 HA THR A 113 120.548 -0.933 -0.501 1.00 0.00 H new ATOM 0 HB THR A 113 122.418 -1.119 -2.255 1.00 0.00 H new ATOM 0 HG1 THR A 113 123.080 -3.165 -1.254 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.706 -1.463 -1.403 1.00 0.00 H new ATOM 0 HG22 THR A 113 124.149 0.211 -1.169 1.00 0.00 H new ATOM 0 HG23 THR A 113 124.182 -0.915 0.208 1.00 0.00 H new ATOM 1734 N PRO A 114 122.556 0.689 1.537 1.00 0.00 N ATOM 1735 CA PRO A 114 122.913 0.714 2.995 1.00 0.00 C ATOM 1736 C PRO A 114 121.683 0.776 3.900 1.00 0.00 C ATOM 1737 O PRO A 114 121.692 0.236 5.006 1.00 0.00 O ATOM 1738 CB PRO A 114 123.788 1.962 3.168 1.00 0.00 C ATOM 1739 CG PRO A 114 124.244 2.315 1.795 1.00 0.00 C ATOM 1740 CD PRO A 114 123.117 1.878 0.865 1.00 0.00 C ATOM 0 HA PRO A 114 123.429 -0.201 3.286 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.223 2.779 3.617 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.635 1.761 3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.432 3.385 1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.176 1.806 1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.369 2.662 0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.489 1.638 -0.131 1.00 0.00 H new ATOM 1748 N ILE A 115 120.624 1.432 3.429 1.00 0.00 N ATOM 1749 CA ILE A 115 119.395 1.571 4.219 1.00 0.00 C ATOM 1750 C ILE A 115 118.308 0.562 3.833 1.00 0.00 C ATOM 1751 O ILE A 115 117.187 0.673 4.323 1.00 0.00 O ATOM 1752 CB ILE A 115 118.810 2.990 4.113 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.744 3.455 2.649 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.658 3.967 4.930 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.911 4.738 2.531 1.00 0.00 C ATOM 0 H ILE A 115 120.589 1.874 2.511 1.00 0.00 H new ATOM 0 HA ILE A 115 119.697 1.369 5.247 1.00 0.00 H new ATOM 0 HB ILE A 115 117.795 2.969 4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.751 3.632 2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.305 2.671 2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.237 4.969 4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.663 3.658 5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.679 3.970 4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.874 5.053 1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.899 4.549 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.367 5.525 3.132 1.00 0.00 H new ATOM 1767 N ARG A 116 118.613 -0.411 2.974 1.00 0.00 N ATOM 1768 CA ARG A 116 117.601 -1.369 2.535 1.00 0.00 C ATOM 1769 C ARG A 116 117.269 -2.360 3.650 1.00 0.00 C ATOM 1770 O ARG A 116 118.116 -2.676 4.487 1.00 0.00 O ATOM 1771 CB ARG A 116 118.074 -2.104 1.268 1.00 0.00 C ATOM 1772 CG ARG A 116 119.246 -3.059 1.563 1.00 0.00 C ATOM 1773 CD ARG A 116 118.741 -4.492 1.787 1.00 0.00 C ATOM 1774 NE ARG A 116 119.848 -5.363 2.195 1.00 0.00 N ATOM 1775 CZ ARG A 116 120.487 -5.250 3.368 1.00 0.00 C ATOM 1776 NH1 ARG A 116 120.156 -4.349 4.262 1.00 0.00 N ATOM 1777 NH2 ARG A 116 121.468 -6.069 3.633 1.00 0.00 N ATOM 0 H ARG A 116 119.540 -0.555 2.573 1.00 0.00 H new ATOM 0 HA ARG A 116 116.690 -0.822 2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 116 117.243 -2.668 0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.380 -1.375 0.518 1.00 0.00 H new ATOM 0 HG2 ARG A 116 119.951 -3.043 0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 116 119.786 -2.717 2.446 1.00 0.00 H new ATOM 0 HD2 ARG A 116 117.965 -4.496 2.552 1.00 0.00 H new ATOM 0 HD3 ARG A 116 118.288 -4.873 0.872 1.00 0.00 H new ATOM 0 HE ARG A 116 120.148 -6.095 1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 116 119.388 -3.704 4.076 1.00 0.00 H new ATOM 0 HH12 ARG A 116 120.666 -4.294 5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 116 121.737 -6.780 2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 116 121.966 -5.998 4.520 1.00 0.00 H new ATOM 1791 N ALA A 117 116.032 -2.840 3.654 1.00 0.00 N ATOM 1792 CA ALA A 117 115.635 -3.903 4.566 1.00 0.00 C ATOM 1793 C ALA A 117 115.977 -5.264 3.970 1.00 0.00 C ATOM 1794 O ALA A 117 115.777 -5.498 2.777 1.00 0.00 O ATOM 1795 CB ALA A 117 114.127 -3.834 4.810 1.00 0.00 C ATOM 0 H ALA A 117 115.289 -2.511 3.038 1.00 0.00 H new ATOM 0 HA ALA A 117 116.171 -3.774 5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 117 113.832 -4.631 5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 117 113.873 -2.868 5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.599 -3.954 3.864 1.00 0.00 H new ATOM 1883 N ILE A 125 114.819 -6.875 -0.014 1.00 0.00 N ATOM 1884 CA ILE A 125 113.435 -6.523 -0.315 1.00 0.00 C ATOM 1885 C ILE A 125 113.392 -5.560 -1.501 1.00 0.00 C ATOM 1886 O ILE A 125 114.149 -4.592 -1.560 1.00 0.00 O ATOM 1887 CB ILE A 125 112.773 -5.914 0.926 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.804 -6.951 2.056 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.318 -5.543 0.626 1.00 0.00 C ATOM 1890 CD1 ILE A 125 112.350 -6.336 3.387 1.00 0.00 C ATOM 0 HA ILE A 125 112.878 -7.419 -0.589 1.00 0.00 H new ATOM 0 HB ILE A 125 113.313 -5.013 1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 125 112.157 -7.790 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.814 -7.348 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.861 -5.112 1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.288 -4.816 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.768 -6.437 0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 125 112.383 -7.095 4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 125 113.014 -5.513 3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 125 111.331 -5.962 3.286 1.00 0.00 H new ATOM 1902 N SER A 126 112.494 -5.842 -2.443 1.00 0.00 N ATOM 1903 CA SER A 126 112.446 -5.105 -3.703 1.00 0.00 C ATOM 1904 C SER A 126 112.202 -3.615 -3.492 1.00 0.00 C ATOM 1905 O SER A 126 111.372 -3.211 -2.678 1.00 0.00 O ATOM 1906 CB SER A 126 111.334 -5.675 -4.585 1.00 0.00 C ATOM 1907 OG SER A 126 111.596 -7.050 -4.834 1.00 0.00 O ATOM 0 H SER A 126 111.790 -6.575 -2.357 1.00 0.00 H new ATOM 0 HA SER A 126 113.417 -5.219 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.368 -5.559 -4.094 1.00 0.00 H new ATOM 0 HB3 SER A 126 111.281 -5.126 -5.525 1.00 0.00 H new ATOM 0 HG SER A 126 110.886 -7.422 -5.398 1.00 0.00 H new ATOM 1913 N LEU A 127 112.947 -2.810 -4.243 1.00 0.00 N ATOM 1914 CA LEU A 127 112.723 -1.362 -4.281 1.00 0.00 C ATOM 1915 C LEU A 127 111.907 -0.929 -5.513 1.00 0.00 C ATOM 1916 O LEU A 127 111.747 0.266 -5.758 1.00 0.00 O ATOM 1917 CB LEU A 127 114.069 -0.626 -4.309 1.00 0.00 C ATOM 1918 CG LEU A 127 114.951 -1.061 -3.133 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.305 -0.353 -3.225 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.279 -0.684 -1.812 1.00 0.00 C ATOM 0 H LEU A 127 113.712 -3.132 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 127 112.158 -1.105 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.581 -0.831 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.901 0.450 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 127 115.093 -2.141 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.934 -0.661 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.792 -0.619 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.155 0.726 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.911 -0.996 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 127 114.134 0.396 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.312 -1.183 -1.740 1.00 0.00 H new ATOM 1932 N GLY A 128 111.395 -1.882 -6.294 1.00 0.00 N ATOM 1933 CA GLY A 128 110.733 -1.564 -7.556 1.00 0.00 C ATOM 1934 C GLY A 128 109.683 -0.465 -7.412 1.00 0.00 C ATOM 1935 O GLY A 128 109.624 0.445 -8.237 1.00 0.00 O ATOM 0 H GLY A 128 111.427 -2.877 -6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.481 -1.252 -8.285 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.260 -2.463 -7.950 1.00 0.00 H new ATOM 1939 N ALA A 129 108.871 -0.533 -6.362 1.00 0.00 N ATOM 1940 CA ALA A 129 107.785 0.430 -6.195 1.00 0.00 C ATOM 1941 C ALA A 129 108.328 1.855 -6.137 1.00 0.00 C ATOM 1942 O ALA A 129 107.871 2.739 -6.865 1.00 0.00 O ATOM 1943 CB ALA A 129 107.007 0.126 -4.914 1.00 0.00 C ATOM 0 H ALA A 129 108.941 -1.233 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 129 107.119 0.344 -7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.200 0.849 -4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.589 -0.879 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.678 0.191 -4.057 1.00 0.00 H new ATOM 1949 N LEU A 130 109.330 2.068 -5.292 1.00 0.00 N ATOM 1950 CA LEU A 130 109.906 3.396 -5.131 1.00 0.00 C ATOM 1951 C LEU A 130 110.460 3.902 -6.459 1.00 0.00 C ATOM 1952 O LEU A 130 110.262 5.061 -6.828 1.00 0.00 O ATOM 1953 CB LEU A 130 111.019 3.344 -4.083 1.00 0.00 C ATOM 1954 CG LEU A 130 111.558 4.752 -3.823 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.502 5.577 -3.086 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.822 4.657 -2.963 1.00 0.00 C ATOM 0 H LEU A 130 109.757 1.345 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 130 109.128 4.083 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.638 2.915 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.824 2.695 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 130 111.794 5.233 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.887 6.580 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.600 5.641 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.265 5.099 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.210 5.658 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.581 4.177 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.575 4.068 -3.487 1.00 0.00 H new ATOM 1968 N LEU A 131 111.129 3.017 -7.190 1.00 0.00 N ATOM 1969 CA LEU A 131 111.726 3.400 -8.465 1.00 0.00 C ATOM 1970 C LEU A 131 110.653 3.886 -9.432 1.00 0.00 C ATOM 1971 O LEU A 131 110.824 4.908 -10.092 1.00 0.00 O ATOM 1972 CB LEU A 131 112.471 2.204 -9.068 1.00 0.00 C ATOM 1973 CG LEU A 131 113.184 2.619 -10.358 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.371 3.523 -10.021 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.690 1.370 -11.084 1.00 0.00 C ATOM 0 H LEU A 131 111.271 2.042 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 131 112.431 4.213 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.196 1.819 -8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.769 1.396 -9.276 1.00 0.00 H new ATOM 0 HG LEU A 131 112.486 3.159 -10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.877 3.817 -10.941 1.00 0.00 H new ATOM 0 HD12 LEU A 131 114.015 4.413 -9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.068 2.984 -9.380 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.198 1.664 -12.003 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.386 0.832 -10.441 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.847 0.723 -11.327 1.00 0.00 H new ATOM 1987 N SER A 132 109.535 3.172 -9.487 1.00 0.00 N ATOM 1988 CA SER A 132 108.474 3.514 -10.426 1.00 0.00 C ATOM 1989 C SER A 132 107.968 4.928 -10.171 1.00 0.00 C ATOM 1990 O SER A 132 107.785 5.707 -11.106 1.00 0.00 O ATOM 1991 CB SER A 132 107.319 2.523 -10.296 1.00 0.00 C ATOM 1992 OG SER A 132 107.818 1.201 -10.453 1.00 0.00 O ATOM 0 H SER A 132 109.341 2.361 -8.899 1.00 0.00 H new ATOM 0 HA SER A 132 108.880 3.464 -11.436 1.00 0.00 H new ATOM 0 HB2 SER A 132 106.840 2.630 -9.323 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.560 2.730 -11.050 1.00 0.00 H new ATOM 0 HG SER A 132 108.280 0.926 -9.634 1.00 0.00 H new ATOM 1998 N THR A 133 107.781 5.269 -8.899 1.00 0.00 N ATOM 1999 CA THR A 133 107.255 6.586 -8.555 1.00 0.00 C ATOM 2000 C THR A 133 108.191 7.684 -9.051 1.00 0.00 C ATOM 2001 O THR A 133 107.758 8.636 -9.707 1.00 0.00 O ATOM 2002 CB THR A 133 107.081 6.702 -7.039 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.288 5.619 -6.572 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.390 8.024 -6.701 1.00 0.00 C ATOM 0 H THR A 133 107.982 4.664 -8.103 1.00 0.00 H new ATOM 0 HA THR A 133 106.286 6.707 -9.039 1.00 0.00 H new ATOM 0 HB THR A 133 108.059 6.673 -6.558 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.177 5.690 -5.601 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.267 8.105 -5.621 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.998 8.854 -7.060 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.412 8.056 -7.181 1.00 0.00 H new ATOM 2012 N THR A 134 109.481 7.528 -8.771 1.00 0.00 N ATOM 2013 CA THR A 134 110.450 8.550 -9.153 1.00 0.00 C ATOM 2014 C THR A 134 110.508 8.702 -10.672 1.00 0.00 C ATOM 2015 O THR A 134 110.582 9.816 -11.186 1.00 0.00 O ATOM 2016 CB THR A 134 111.834 8.210 -8.602 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.727 7.940 -7.212 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.773 9.400 -8.820 1.00 0.00 C ATOM 0 H THR A 134 109.875 6.719 -8.290 1.00 0.00 H new ATOM 0 HA THR A 134 110.128 9.499 -8.724 1.00 0.00 H new ATOM 0 HB THR A 134 112.232 7.335 -9.116 1.00 0.00 H new ATOM 0 HG1 THR A 134 110.898 8.332 -6.865 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.761 9.160 -8.428 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.848 9.614 -9.886 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.379 10.274 -8.301 1.00 0.00 H new ATOM 2026 N LEU A 135 110.455 7.583 -11.390 1.00 0.00 N ATOM 2027 CA LEU A 135 110.507 7.622 -12.848 1.00 0.00 C ATOM 2028 C LEU A 135 109.330 8.409 -13.415 1.00 0.00 C ATOM 2029 O LEU A 135 109.484 9.152 -14.384 1.00 0.00 O ATOM 2030 CB LEU A 135 110.497 6.200 -13.414 1.00 0.00 C ATOM 2031 CG LEU A 135 111.792 5.482 -13.029 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.676 3.997 -13.375 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.962 6.090 -13.807 1.00 0.00 C ATOM 0 H LEU A 135 110.377 6.648 -10.991 1.00 0.00 H new ATOM 0 HA LEU A 135 111.431 8.121 -13.140 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.637 5.651 -13.029 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.396 6.231 -14.499 1.00 0.00 H new ATOM 0 HG LEU A 135 111.964 5.596 -11.959 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.599 3.486 -13.100 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.842 3.560 -12.826 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.504 3.885 -14.446 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.885 5.579 -13.534 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.787 5.975 -14.877 1.00 0.00 H new ATOM 0 HD23 LEU A 135 113.048 7.149 -13.565 1.00 0.00 H new ATOM 2045 N ASN A 136 108.156 8.245 -12.810 1.00 0.00 N ATOM 2046 CA ASN A 136 106.970 8.959 -13.272 1.00 0.00 C ATOM 2047 C ASN A 136 107.208 10.464 -13.220 1.00 0.00 C ATOM 2048 O ASN A 136 106.856 11.192 -14.149 1.00 0.00 O ATOM 2049 CB ASN A 136 105.767 8.598 -12.398 1.00 0.00 C ATOM 2050 CG ASN A 136 104.483 9.106 -13.043 1.00 0.00 C ATOM 2051 OD1 ASN A 136 104.129 8.683 -14.144 1.00 0.00 O ATOM 2052 ND2 ASN A 136 103.759 9.996 -12.420 1.00 0.00 N ATOM 0 H ASN A 136 108.002 7.632 -12.009 1.00 0.00 H new ATOM 0 HA ASN A 136 106.766 8.666 -14.302 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.714 7.517 -12.266 1.00 0.00 H new ATOM 0 HB3 ASN A 136 105.883 9.035 -11.406 1.00 0.00 H new ATOM 0 HD21 ASN A 136 102.899 10.342 -12.845 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.054 10.345 -11.508 1.00 0.00 H new ATOM 2059 N LEU A 137 107.805 10.921 -12.126 1.00 0.00 N ATOM 2060 CA LEU A 137 108.140 12.335 -11.988 1.00 0.00 C ATOM 2061 C LEU A 137 109.150 12.764 -13.050 1.00 0.00 C ATOM 2062 O LEU A 137 109.056 13.861 -13.602 1.00 0.00 O ATOM 2063 CB LEU A 137 108.717 12.607 -10.596 1.00 0.00 C ATOM 2064 CG LEU A 137 107.702 12.209 -9.520 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.335 12.383 -8.138 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.465 13.105 -9.623 1.00 0.00 C ATOM 0 H LEU A 137 108.065 10.341 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 137 107.225 12.912 -12.123 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.641 12.046 -10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.968 13.663 -10.498 1.00 0.00 H new ATOM 0 HG LEU A 137 107.411 11.169 -9.665 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.615 12.101 -7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.217 11.748 -8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.624 13.425 -7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.744 12.820 -8.857 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.756 14.145 -9.478 1.00 0.00 H new ATOM 0 HD23 LEU A 137 106.012 12.989 -10.608 1.00 0.00 H new ATOM 2078 N CYS A 138 110.115 11.895 -13.329 1.00 0.00 N ATOM 2079 CA CYS A 138 111.121 12.178 -14.353 1.00 0.00 C ATOM 2080 C CYS A 138 110.491 12.394 -15.734 1.00 0.00 C ATOM 2081 O CYS A 138 111.075 13.071 -16.581 1.00 0.00 O ATOM 2082 CB CYS A 138 112.116 11.014 -14.428 1.00 0.00 C ATOM 2083 SG CYS A 138 113.425 11.203 -13.186 1.00 0.00 S ATOM 0 H CYS A 138 110.224 10.993 -12.865 1.00 0.00 H new ATOM 0 HA CYS A 138 111.631 13.099 -14.070 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.592 10.071 -14.270 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.557 10.970 -15.424 1.00 0.00 H new ATOM 2088 N GLY A 139 109.309 11.824 -15.968 1.00 0.00 N ATOM 2089 CA GLY A 139 108.640 11.972 -17.258 1.00 0.00 C ATOM 2090 C GLY A 139 109.192 11.014 -18.320 1.00 0.00 C ATOM 2091 O GLY A 139 109.061 11.276 -19.516 1.00 0.00 O ATOM 0 H GLY A 139 108.800 11.261 -15.287 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.572 11.793 -17.132 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.753 12.999 -17.606 1.00 0.00 H new