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= 1.17 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.943 K(o=2.1,f=-4.1!) USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0528) USER MOD Single : A 60 GLN : amide:sc= -0.801 K(o=-0.8,f=-2.8!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -75:sc= 0.687 USER MOD Single : A 77 HIS : no HD1:sc= -2.06 K(o=-2.1,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 169:sc= 0.0417 USER MOD Single : A 101 ASN : amide:sc= -0.582 K(o=-0.58,f=-6!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.018 X(o=-0.018,f=-0.38) 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 -58:sc= 1.06 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 80:sc= -0.372 USER MOD Single : A 136 ASN : amide:sc= -0.0154 K(o=-0.015,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 108.737 16.037 -8.631 1.00 0.00 N ATOM 920 CA LYS A 59 109.091 15.692 -7.253 1.00 0.00 C ATOM 921 C LYS A 59 107.868 15.300 -6.423 1.00 0.00 C ATOM 922 O LYS A 59 106.755 15.762 -6.678 1.00 0.00 O ATOM 923 CB LYS A 59 109.781 16.878 -6.572 1.00 0.00 C ATOM 924 CG LYS A 59 111.099 17.209 -7.279 1.00 0.00 C ATOM 925 CD LYS A 59 111.836 18.297 -6.495 1.00 0.00 C ATOM 926 CE LYS A 59 113.089 18.720 -7.263 1.00 0.00 C ATOM 927 NZ LYS A 59 112.706 19.634 -8.375 1.00 0.00 N ATOM 0 HA LYS A 59 109.763 14.835 -7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 59 109.124 17.747 -6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 59 109.972 16.643 -5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 59 111.719 16.316 -7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 59 110.904 17.547 -8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.183 19.156 -6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 59 112.110 17.926 -5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 59 113.788 19.219 -6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 59 113.599 17.842 -7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 113.564 20.015 -8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 112.151 19.109 -9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 112.135 20.418 -7.999 1.00 0.00 H new ATOM 941 N GLN A 60 108.091 14.442 -5.428 1.00 0.00 N ATOM 942 CA GLN A 60 107.064 14.122 -4.436 1.00 0.00 C ATOM 943 C GLN A 60 107.696 13.720 -3.107 1.00 0.00 C ATOM 944 O GLN A 60 108.805 13.188 -3.074 1.00 0.00 O ATOM 945 CB GLN A 60 106.159 12.978 -4.900 1.00 0.00 C ATOM 946 CG GLN A 60 105.251 13.450 -6.034 1.00 0.00 C ATOM 947 CD GLN A 60 104.230 12.366 -6.367 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.529 11.444 -7.126 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.036 12.405 -5.830 1.00 0.00 N ATOM 0 H GLN A 60 108.976 13.955 -5.287 1.00 0.00 H new ATOM 0 HA GLN A 60 106.466 15.025 -4.311 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.766 12.138 -5.237 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.555 12.621 -4.066 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.739 14.367 -5.744 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.847 13.683 -6.916 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.785 13.167 -5.201 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.358 11.673 -6.041 1.00 0.00 H new ATOM 958 N ASP A 61 106.981 13.969 -2.016 1.00 0.00 N ATOM 959 CA ASP A 61 107.421 13.500 -0.706 1.00 0.00 C ATOM 960 C ASP A 61 106.782 12.147 -0.409 1.00 0.00 C ATOM 961 O ASP A 61 105.562 12.001 -0.496 1.00 0.00 O ATOM 962 CB ASP A 61 107.024 14.508 0.375 1.00 0.00 C ATOM 963 CG ASP A 61 107.717 15.848 0.140 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.819 15.846 -0.388 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.135 16.861 0.492 1.00 0.00 O ATOM 0 H ASP A 61 106.103 14.488 -2.011 1.00 0.00 H new ATOM 0 HA ASP A 61 108.506 13.397 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.943 14.646 0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.293 14.121 1.358 1.00 0.00 H new ATOM 970 N ILE A 62 107.600 11.156 -0.058 1.00 0.00 N ATOM 971 CA ILE A 62 107.095 9.801 0.164 1.00 0.00 C ATOM 972 C ILE A 62 107.549 9.276 1.530 1.00 0.00 C ATOM 973 O ILE A 62 108.656 9.581 1.971 1.00 0.00 O ATOM 974 CB ILE A 62 107.574 8.903 -0.989 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.827 7.569 -0.945 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.087 8.654 -0.921 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.442 7.739 -1.580 1.00 0.00 C ATOM 0 H ILE A 62 108.605 11.263 0.078 1.00 0.00 H new ATOM 0 HA ILE A 62 106.005 9.801 0.175 1.00 0.00 H new ATOM 0 HB ILE A 62 107.362 9.416 -1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.393 6.805 -1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.727 7.229 0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.388 8.016 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.615 9.605 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.333 8.164 0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 62 104.909 6.789 -1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.878 8.490 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.554 8.059 -2.616 1.00 0.00 H new ATOM 989 N SER A 63 106.707 8.479 2.190 1.00 0.00 N ATOM 990 CA SER A 63 107.023 8.030 3.545 1.00 0.00 C ATOM 991 C SER A 63 106.418 6.663 3.861 1.00 0.00 C ATOM 992 O SER A 63 105.470 6.209 3.217 1.00 0.00 O ATOM 993 CB SER A 63 106.519 9.054 4.563 1.00 0.00 C ATOM 994 OG SER A 63 105.102 8.984 4.637 1.00 0.00 O ATOM 0 H SER A 63 105.821 8.138 1.818 1.00 0.00 H new ATOM 0 HA SER A 63 108.107 7.936 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.956 8.856 5.542 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.830 10.057 4.272 1.00 0.00 H new ATOM 0 HG SER A 63 104.732 8.873 3.736 1.00 0.00 H new ATOM 1000 N GLU A 64 106.972 6.023 4.887 1.00 0.00 N ATOM 1001 CA GLU A 64 106.503 4.712 5.315 1.00 0.00 C ATOM 1002 C GLU A 64 105.007 4.727 5.626 1.00 0.00 C ATOM 1003 O GLU A 64 104.307 3.753 5.356 1.00 0.00 O ATOM 1004 CB GLU A 64 107.285 4.264 6.554 1.00 0.00 C ATOM 1005 CG GLU A 64 107.069 5.255 7.705 1.00 0.00 C ATOM 1006 CD GLU A 64 107.922 4.905 8.929 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.572 3.870 8.930 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.905 5.688 9.865 1.00 0.00 O ATOM 0 H GLU A 64 107.747 6.393 5.437 1.00 0.00 H new ATOM 0 HA GLU A 64 106.670 4.010 4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.961 3.268 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.347 4.196 6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.314 6.262 7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 64 106.016 5.261 7.986 1.00 0.00 H new ATOM 1015 N ALA A 65 104.513 5.838 6.165 1.00 0.00 N ATOM 1016 CA ALA A 65 103.114 5.917 6.569 1.00 0.00 C ATOM 1017 C ALA A 65 102.187 5.656 5.386 1.00 0.00 C ATOM 1018 O ALA A 65 101.196 4.936 5.514 1.00 0.00 O ATOM 1019 CB ALA A 65 102.814 7.302 7.149 1.00 0.00 C ATOM 0 H ALA A 65 105.054 6.687 6.331 1.00 0.00 H new ATOM 0 HA ALA A 65 102.939 5.153 7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.767 7.352 7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.448 7.478 8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 65 103.013 8.063 6.395 1.00 0.00 H new ATOM 1025 N ASN A 66 102.510 6.241 4.237 1.00 0.00 N ATOM 1026 CA ASN A 66 101.641 6.127 3.068 1.00 0.00 C ATOM 1027 C ASN A 66 101.680 4.714 2.491 1.00 0.00 C ATOM 1028 O ASN A 66 100.641 4.127 2.191 1.00 0.00 O ATOM 1029 CB ASN A 66 102.071 7.113 1.975 1.00 0.00 C ATOM 1030 CG ASN A 66 102.243 8.523 2.534 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.359 8.937 2.845 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.200 9.293 2.668 1.00 0.00 N ATOM 0 H ASN A 66 103.355 6.792 4.089 1.00 0.00 H new ATOM 0 HA ASN A 66 100.627 6.357 3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.008 6.779 1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.326 7.124 1.179 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.308 10.240 3.031 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.275 8.949 2.410 1.00 0.00 H new ATOM 1039 N LEU A 67 102.886 4.175 2.338 1.00 0.00 N ATOM 1040 CA LEU A 67 103.056 2.864 1.713 1.00 0.00 C ATOM 1041 C LEU A 67 102.595 1.714 2.608 1.00 0.00 C ATOM 1042 O LEU A 67 102.216 0.656 2.104 1.00 0.00 O ATOM 1043 CB LEU A 67 104.519 2.656 1.312 1.00 0.00 C ATOM 1044 CG LEU A 67 104.797 3.396 0.000 1.00 0.00 C ATOM 1045 CD1 LEU A 67 104.917 4.895 0.279 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.093 2.879 -0.636 1.00 0.00 C ATOM 0 H LEU A 67 103.754 4.620 2.635 1.00 0.00 H new ATOM 0 HA LEU A 67 102.422 2.854 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.179 3.025 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.728 1.593 1.194 1.00 0.00 H new ATOM 0 HG LEU A 67 103.974 3.219 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.115 5.424 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 67 103.986 5.260 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.736 5.071 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.279 3.413 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.925 3.043 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 67 105.997 1.813 -0.842 1.00 0.00 H new ATOM 1058 N ALA A 68 102.631 1.907 3.926 1.00 0.00 N ATOM 1059 CA ALA A 68 102.272 0.848 4.872 1.00 0.00 C ATOM 1060 C ALA A 68 103.357 -0.243 4.837 1.00 0.00 C ATOM 1061 O ALA A 68 104.523 0.085 4.626 1.00 0.00 O ATOM 1062 CB ALA A 68 100.861 0.313 4.560 1.00 0.00 C ATOM 0 H ALA A 68 102.905 2.786 4.364 1.00 0.00 H new ATOM 0 HA ALA A 68 102.232 1.237 5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.605 -0.474 5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.138 1.125 4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.841 -0.091 3.548 1.00 0.00 H new ATOM 1068 N TYR A 69 103.009 -1.523 5.006 1.00 0.00 N ATOM 1069 CA TYR A 69 104.017 -2.585 5.047 1.00 0.00 C ATOM 1070 C TYR A 69 104.908 -2.590 3.798 1.00 0.00 C ATOM 1071 O TYR A 69 106.031 -3.094 3.836 1.00 0.00 O ATOM 1072 CB TYR A 69 103.328 -3.944 5.175 1.00 0.00 C ATOM 1073 CG TYR A 69 102.488 -4.079 6.424 1.00 0.00 C ATOM 1074 CD1 TYR A 69 103.094 -4.412 7.641 1.00 0.00 C ATOM 1075 CD2 TYR A 69 101.105 -3.873 6.363 1.00 0.00 C ATOM 1076 CE1 TYR A 69 102.315 -4.538 8.798 1.00 0.00 C ATOM 1077 CE2 TYR A 69 100.327 -3.999 7.519 1.00 0.00 C ATOM 1078 CZ TYR A 69 100.932 -4.331 8.737 1.00 0.00 C ATOM 1079 OH TYR A 69 100.165 -4.456 9.877 1.00 0.00 O ATOM 0 H TYR A 69 102.048 -1.846 5.115 1.00 0.00 H new ATOM 0 HA TYR A 69 104.653 -2.395 5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.695 -4.105 4.302 1.00 0.00 H new ATOM 0 HB3 TYR A 69 104.085 -4.728 5.169 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.161 -4.572 7.688 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.638 -3.617 5.423 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.781 -4.795 9.738 1.00 0.00 H new ATOM 0 HE2 TYR A 69 99.260 -3.840 7.472 1.00 0.00 H new ATOM 0 HH TYR A 69 99.226 -4.279 9.660 1.00 0.00 H new ATOM 1089 N LEU A 70 104.411 -2.032 2.696 1.00 0.00 N ATOM 1090 CA LEU A 70 105.156 -2.017 1.436 1.00 0.00 C ATOM 1091 C LEU A 70 106.497 -1.284 1.557 1.00 0.00 C ATOM 1092 O LEU A 70 107.411 -1.535 0.773 1.00 0.00 O ATOM 1093 CB LEU A 70 104.311 -1.354 0.344 1.00 0.00 C ATOM 1094 CG LEU A 70 102.983 -2.098 0.184 1.00 0.00 C ATOM 1095 CD1 LEU A 70 102.104 -1.355 -0.824 1.00 0.00 C ATOM 1096 CD2 LEU A 70 103.244 -3.516 -0.330 1.00 0.00 C ATOM 0 H LEU A 70 103.496 -1.584 2.649 1.00 0.00 H new ATOM 0 HA LEU A 70 105.370 -3.053 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 70 104.124 -0.311 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 70 104.855 -1.357 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 70 102.480 -2.147 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.157 -1.883 -0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 70 101.914 -0.344 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 70 102.614 -1.309 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.296 -4.042 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 70 103.748 -3.466 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 70 103.874 -4.051 0.381 1.00 0.00 H new ATOM 1108 N TRP A 71 106.620 -0.382 2.530 1.00 0.00 N ATOM 1109 CA TRP A 71 107.834 0.415 2.680 1.00 0.00 C ATOM 1110 C TRP A 71 109.062 -0.500 2.810 1.00 0.00 C ATOM 1111 O TRP A 71 109.197 -1.179 3.829 1.00 0.00 O ATOM 1112 CB TRP A 71 107.722 1.273 3.941 1.00 0.00 C ATOM 1113 CG TRP A 71 108.720 2.387 3.994 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.707 2.498 4.910 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.847 3.542 3.114 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.420 3.655 4.659 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.936 4.331 3.558 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.130 3.979 1.989 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.299 5.513 2.904 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.491 5.163 1.328 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.574 5.928 1.784 1.00 0.00 C ATOM 0 H TRP A 71 105.897 -0.186 3.222 1.00 0.00 H new ATOM 0 HA TRP A 71 107.949 1.048 1.800 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.718 1.692 3.998 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.852 0.637 4.817 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.906 1.797 5.708 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.210 3.972 5.221 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.293 3.399 1.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.132 6.100 3.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.931 5.487 0.463 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.848 6.837 1.270 1.00 0.00 H new ATOM 1132 N PRO A 72 109.956 -0.550 1.840 1.00 0.00 N ATOM 1133 CA PRO A 72 111.116 -1.490 1.885 1.00 0.00 C ATOM 1134 C PRO A 72 112.360 -0.914 2.567 1.00 0.00 C ATOM 1135 O PRO A 72 113.305 -1.652 2.845 1.00 0.00 O ATOM 1136 CB PRO A 72 111.392 -1.761 0.408 1.00 0.00 C ATOM 1137 CG PRO A 72 111.025 -0.495 -0.293 1.00 0.00 C ATOM 1138 CD PRO A 72 110.000 0.228 0.586 1.00 0.00 C ATOM 0 HA PRO A 72 110.884 -2.376 2.476 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.439 -2.014 0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 72 110.799 -2.600 0.043 1.00 0.00 H new ATOM 0 HG2 PRO A 72 111.906 0.128 -0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 72 110.607 -0.707 -1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.298 1.260 0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.022 0.260 0.107 1.00 0.00 H new ATOM 1146 N LEU A 73 112.386 0.396 2.795 1.00 0.00 N ATOM 1147 CA LEU A 73 113.571 1.038 3.358 1.00 0.00 C ATOM 1148 C LEU A 73 113.531 1.073 4.882 1.00 0.00 C ATOM 1149 O LEU A 73 112.468 1.214 5.488 1.00 0.00 O ATOM 1150 CB LEU A 73 113.690 2.473 2.842 1.00 0.00 C ATOM 1151 CG LEU A 73 113.742 2.481 1.316 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.751 3.933 0.838 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.016 1.778 0.837 1.00 0.00 C ATOM 0 H LEU A 73 111.610 1.028 2.601 1.00 0.00 H new ATOM 0 HA LEU A 73 114.432 0.447 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.841 3.063 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.588 2.939 3.246 1.00 0.00 H new ATOM 0 HG LEU A 73 112.875 1.957 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.788 3.957 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.846 4.435 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.625 4.444 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.048 1.786 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.889 2.299 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.018 0.747 1.192 1.00 0.00 H new ATOM 1165 N THR A 74 114.707 0.941 5.486 1.00 0.00 N ATOM 1166 CA THR A 74 114.847 1.078 6.932 1.00 0.00 C ATOM 1167 C THR A 74 114.642 2.532 7.355 1.00 0.00 C ATOM 1168 O THR A 74 114.055 2.794 8.405 1.00 0.00 O ATOM 1169 CB THR A 74 116.236 0.608 7.373 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.225 1.433 6.775 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.450 -0.845 6.942 1.00 0.00 C ATOM 0 H THR A 74 115.579 0.739 4.996 1.00 0.00 H new ATOM 0 HA THR A 74 114.087 0.460 7.410 1.00 0.00 H new ATOM 0 HB THR A 74 116.314 0.675 8.458 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.314 1.202 5.827 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.439 -1.176 7.257 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.691 -1.477 7.404 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.372 -0.918 5.857 1.00 0.00 H new ATOM 1179 N VAL A 75 115.122 3.474 6.539 1.00 0.00 N ATOM 1180 CA VAL A 75 114.871 4.885 6.813 1.00 0.00 C ATOM 1181 C VAL A 75 113.372 5.131 6.724 1.00 0.00 C ATOM 1182 O VAL A 75 112.734 4.727 5.756 1.00 0.00 O ATOM 1183 CB VAL A 75 115.624 5.794 5.833 1.00 0.00 C ATOM 1184 CG1 VAL A 75 117.126 5.689 6.099 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.344 5.384 4.382 1.00 0.00 C ATOM 0 H VAL A 75 115.674 3.289 5.702 1.00 0.00 H new ATOM 0 HA VAL A 75 115.235 5.125 7.812 1.00 0.00 H new ATOM 0 HB VAL A 75 115.283 6.819 5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.664 6.334 5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.337 6.001 7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.449 4.657 5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.889 6.043 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.668 4.355 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.275 5.462 4.182 1.00 0.00 H new ATOM 1195 N ASP A 76 112.809 5.768 7.741 1.00 0.00 N ATOM 1196 CA ASP A 76 111.357 5.839 7.863 1.00 0.00 C ATOM 1197 C ASP A 76 110.720 6.567 6.688 1.00 0.00 C ATOM 1198 O ASP A 76 109.602 6.235 6.292 1.00 0.00 O ATOM 1199 CB ASP A 76 110.970 6.527 9.175 1.00 0.00 C ATOM 1200 CG ASP A 76 111.424 5.695 10.372 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.472 4.481 10.251 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.710 6.285 11.401 1.00 0.00 O ATOM 0 H ASP A 76 113.325 6.238 8.485 1.00 0.00 H new ATOM 0 HA ASP A 76 110.980 4.816 7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.424 7.517 9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.890 6.669 9.213 1.00 0.00 H new ATOM 1207 N HIS A 77 111.407 7.569 6.148 1.00 0.00 N ATOM 1208 CA HIS A 77 110.864 8.310 5.017 1.00 0.00 C ATOM 1209 C HIS A 77 111.982 8.802 4.114 1.00 0.00 C ATOM 1210 O HIS A 77 113.160 8.586 4.397 1.00 0.00 O ATOM 1211 CB HIS A 77 110.019 9.486 5.510 1.00 0.00 C ATOM 1212 CG HIS A 77 110.743 10.405 6.455 1.00 0.00 C ATOM 1213 ND1 HIS A 77 111.262 9.966 7.661 1.00 0.00 N ATOM 1214 CD2 HIS A 77 111.026 11.748 6.391 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.825 11.024 8.271 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.709 12.136 7.540 1.00 0.00 N ATOM 0 H HIS A 77 112.324 7.882 6.468 1.00 0.00 H new ATOM 0 HA HIS A 77 110.227 7.641 4.439 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.678 10.061 4.649 1.00 0.00 H new ATOM 0 HB3 HIS A 77 109.129 9.098 6.006 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.759 12.402 5.574 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.311 10.980 9.234 1.00 0.00 H new ATOM 0 HE2 HIS A 77 112.048 13.069 7.774 1.00 0.00 H new ATOM 1224 N GLY A 78 111.597 9.402 2.997 1.00 0.00 N ATOM 1225 CA GLY A 78 112.554 9.991 2.076 1.00 0.00 C ATOM 1226 C GLY A 78 111.822 10.779 0.997 1.00 0.00 C ATOM 1227 O GLY A 78 110.618 10.619 0.797 1.00 0.00 O ATOM 0 H GLY A 78 110.623 9.493 2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.236 10.647 2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.160 9.209 1.619 1.00 0.00 H new ATOM 1231 N THR A 79 112.548 11.658 0.320 1.00 0.00 N ATOM 1232 CA THR A 79 111.963 12.454 -0.752 1.00 0.00 C ATOM 1233 C THR A 79 112.480 11.970 -2.102 1.00 0.00 C ATOM 1234 O THR A 79 113.661 11.667 -2.245 1.00 0.00 O ATOM 1235 CB THR A 79 112.322 13.927 -0.559 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.208 14.261 0.817 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.348 14.782 -1.370 1.00 0.00 C ATOM 0 H THR A 79 113.537 11.838 0.492 1.00 0.00 H new ATOM 0 HA THR A 79 110.879 12.343 -0.725 1.00 0.00 H new ATOM 0 HB THR A 79 113.343 14.109 -0.894 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.439 15.205 0.945 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.594 15.836 -1.240 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.424 14.519 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.330 14.602 -1.024 1.00 0.00 H new ATOM 1245 N ILE A 80 111.596 11.896 -3.091 1.00 0.00 N ATOM 1246 CA ILE A 80 111.985 11.440 -4.425 1.00 0.00 C ATOM 1247 C ILE A 80 112.024 12.620 -5.384 1.00 0.00 C ATOM 1248 O ILE A 80 111.118 13.454 -5.387 1.00 0.00 O ATOM 1249 CB ILE A 80 111.002 10.377 -4.934 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.562 10.905 -4.877 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.125 9.129 -4.060 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.612 9.892 -5.519 1.00 0.00 C ATOM 0 H ILE A 80 110.611 12.144 -2.998 1.00 0.00 H new ATOM 0 HA ILE A 80 112.978 10.995 -4.369 1.00 0.00 H new ATOM 0 HB ILE A 80 111.241 10.135 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.272 11.084 -3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.495 11.861 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.430 8.367 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.144 8.745 -4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.889 9.384 -3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.591 10.272 -5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 80 108.897 9.735 -6.559 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.670 8.946 -4.980 1.00 0.00 H new ATOM 1264 N GLU A 81 113.086 12.701 -6.182 1.00 0.00 N ATOM 1265 CA GLU A 81 113.244 13.830 -7.090 1.00 0.00 C ATOM 1266 C GLU A 81 113.932 13.426 -8.389 1.00 0.00 C ATOM 1267 O GLU A 81 114.801 12.552 -8.411 1.00 0.00 O ATOM 1268 CB GLU A 81 114.061 14.933 -6.413 1.00 0.00 C ATOM 1269 CG GLU A 81 113.336 15.423 -5.154 1.00 0.00 C ATOM 1270 CD GLU A 81 114.068 16.598 -4.497 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.191 16.892 -4.880 1.00 0.00 O ATOM 1272 OE2 GLU A 81 113.484 17.196 -3.608 1.00 0.00 O ATOM 0 H GLU A 81 113.837 12.011 -6.218 1.00 0.00 H new ATOM 0 HA GLU A 81 112.245 14.193 -7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 81 115.049 14.556 -6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 81 114.210 15.763 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 81 112.322 15.726 -5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.251 14.603 -4.441 1.00 0.00 H new ATOM 1279 N CYS A 82 113.511 14.067 -9.473 1.00 0.00 N ATOM 1280 CA CYS A 82 114.210 13.952 -10.746 1.00 0.00 C ATOM 1281 C CYS A 82 115.044 15.209 -10.970 1.00 0.00 C ATOM 1282 O CYS A 82 114.506 16.313 -11.050 1.00 0.00 O ATOM 1283 CB CYS A 82 113.201 13.781 -11.885 1.00 0.00 C ATOM 1284 SG CYS A 82 112.497 12.114 -11.824 1.00 0.00 S ATOM 0 H CYS A 82 112.690 14.671 -9.495 1.00 0.00 H new ATOM 0 HA CYS A 82 114.863 13.079 -10.727 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.409 14.525 -11.798 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.689 13.946 -12.845 1.00 0.00 H new ATOM 1359 N ALA A 88 117.327 9.804 -11.951 1.00 0.00 N ATOM 1360 CA ALA A 88 116.352 9.577 -10.890 1.00 0.00 C ATOM 1361 C ALA A 88 117.051 9.174 -9.595 1.00 0.00 C ATOM 1362 O ALA A 88 117.727 8.142 -9.537 1.00 0.00 O ATOM 1363 CB ALA A 88 115.374 8.477 -11.307 1.00 0.00 C ATOM 0 HA ALA A 88 115.806 10.505 -10.720 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.649 8.313 -10.510 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.852 8.779 -12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.923 7.554 -11.494 1.00 0.00 H new ATOM 1369 N VAL A 89 116.853 9.967 -8.542 1.00 0.00 N ATOM 1370 CA VAL A 89 117.526 9.715 -7.268 1.00 0.00 C ATOM 1371 C VAL A 89 116.553 9.774 -6.090 1.00 0.00 C ATOM 1372 O VAL A 89 115.506 10.422 -6.152 1.00 0.00 O ATOM 1373 CB VAL A 89 118.633 10.751 -7.048 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.682 10.630 -8.153 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.035 12.160 -7.076 1.00 0.00 C ATOM 0 H VAL A 89 116.239 10.781 -8.545 1.00 0.00 H new ATOM 0 HA VAL A 89 117.949 8.712 -7.317 1.00 0.00 H new ATOM 0 HB VAL A 89 119.100 10.570 -6.080 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.467 11.369 -7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.116 9.630 -8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.212 10.805 -9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.825 12.894 -6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.563 12.336 -8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.290 12.255 -6.286 1.00 0.00 H new ATOM 1385 N PHE A 90 116.940 9.100 -5.012 1.00 0.00 N ATOM 1386 CA PHE A 90 116.178 9.084 -3.769 1.00 0.00 C ATOM 1387 C PHE A 90 116.972 9.780 -2.667 1.00 0.00 C ATOM 1388 O PHE A 90 118.132 9.454 -2.435 1.00 0.00 O ATOM 1389 CB PHE A 90 115.905 7.629 -3.377 1.00 0.00 C ATOM 1390 CG PHE A 90 115.233 7.442 -2.036 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.865 7.700 -1.891 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.980 6.991 -0.940 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.244 7.505 -0.651 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.359 6.798 0.300 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.991 7.053 0.443 1.00 0.00 C ATOM 0 H PHE A 90 117.796 8.546 -4.976 1.00 0.00 H new ATOM 0 HA PHE A 90 115.234 9.611 -3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.281 7.173 -4.146 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.851 7.087 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.289 8.049 -2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.036 6.792 -1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.188 7.703 -0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.936 6.453 1.145 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.511 6.901 1.398 1.00 0.00 H new ATOM 1405 N VAL A 91 116.351 10.739 -1.993 1.00 0.00 N ATOM 1406 CA VAL A 91 117.024 11.485 -0.931 1.00 0.00 C ATOM 1407 C VAL A 91 116.472 11.054 0.422 1.00 0.00 C ATOM 1408 O VAL A 91 115.259 11.009 0.610 1.00 0.00 O ATOM 1409 CB VAL A 91 116.793 12.991 -1.124 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.531 13.807 -0.053 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.303 13.413 -2.505 1.00 0.00 C ATOM 0 H VAL A 91 115.385 11.020 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 91 118.094 11.279 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 91 115.724 13.184 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.349 14.869 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.168 13.523 0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.601 13.608 -0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.139 14.482 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.369 13.196 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.765 12.861 -3.276 1.00 0.00 H new ATOM 1421 N ALA A 92 117.361 10.761 1.365 1.00 0.00 N ATOM 1422 CA ALA A 92 116.925 10.358 2.703 1.00 0.00 C ATOM 1423 C ALA A 92 117.014 11.533 3.682 1.00 0.00 C ATOM 1424 O ALA A 92 117.799 12.452 3.458 1.00 0.00 O ATOM 1425 CB ALA A 92 117.792 9.205 3.208 1.00 0.00 C ATOM 0 H ALA A 92 118.372 10.793 1.235 1.00 0.00 H new ATOM 0 HA ALA A 92 115.886 10.034 2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.462 8.911 4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.700 8.357 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.833 9.524 3.251 1.00 0.00 H new ATOM 1431 N PRO A 93 116.245 11.536 4.752 1.00 0.00 N ATOM 1432 CA PRO A 93 116.293 12.651 5.750 1.00 0.00 C ATOM 1433 C PRO A 93 117.714 13.005 6.185 1.00 0.00 C ATOM 1434 O PRO A 93 117.986 14.142 6.571 1.00 0.00 O ATOM 1435 CB PRO A 93 115.489 12.132 6.944 1.00 0.00 C ATOM 1436 CG PRO A 93 114.575 11.089 6.401 1.00 0.00 C ATOM 1437 CD PRO A 93 115.226 10.536 5.133 1.00 0.00 C ATOM 0 HA PRO A 93 115.892 13.569 5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 93 116.147 11.715 7.706 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.926 12.938 7.415 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.419 10.295 7.132 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.596 11.513 6.178 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.680 9.562 5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.491 10.401 4.340 1.00 0.00 H new ATOM 1445 N ASP A 94 118.613 12.032 6.119 1.00 0.00 N ATOM 1446 CA ASP A 94 119.991 12.250 6.556 1.00 0.00 C ATOM 1447 C ASP A 94 120.734 13.287 5.699 1.00 0.00 C ATOM 1448 O ASP A 94 121.819 13.732 6.074 1.00 0.00 O ATOM 1449 CB ASP A 94 120.748 10.913 6.540 1.00 0.00 C ATOM 1450 CG ASP A 94 120.633 10.208 5.184 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.200 10.831 4.228 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.990 9.042 5.116 1.00 0.00 O ATOM 0 H ASP A 94 118.419 11.093 5.771 1.00 0.00 H new ATOM 0 HA ASP A 94 119.952 12.652 7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.799 11.088 6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.354 10.263 7.322 1.00 0.00 H new ATOM 1457 N GLY A 95 120.163 13.676 4.558 1.00 0.00 N ATOM 1458 CA GLY A 95 120.828 14.618 3.652 1.00 0.00 C ATOM 1459 C GLY A 95 121.722 13.921 2.614 1.00 0.00 C ATOM 1460 O GLY A 95 122.476 14.584 1.902 1.00 0.00 O ATOM 0 H GLY A 95 119.248 13.357 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 95 120.073 15.211 3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.432 15.312 4.237 1.00 0.00 H new ATOM 1464 N THR A 96 121.639 12.594 2.526 1.00 0.00 N ATOM 1465 CA THR A 96 122.437 11.825 1.586 1.00 0.00 C ATOM 1466 C THR A 96 121.593 11.489 0.367 1.00 0.00 C ATOM 1467 O THR A 96 120.409 11.173 0.496 1.00 0.00 O ATOM 1468 CB THR A 96 122.898 10.527 2.252 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.594 10.835 3.452 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.820 9.751 1.308 1.00 0.00 C ATOM 0 H THR A 96 121.018 12.028 3.104 1.00 0.00 H new ATOM 0 HA THR A 96 123.306 12.409 1.283 1.00 0.00 H new ATOM 0 HB THR A 96 122.027 9.912 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.889 10.005 3.881 1.00 0.00 H new ATOM 0 HG21 THR A 96 124.143 8.829 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.283 9.511 0.390 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.692 10.360 1.069 1.00 0.00 H new ATOM 1478 N THR A 97 122.199 11.559 -0.812 1.00 0.00 N ATOM 1479 CA THR A 97 121.490 11.214 -2.038 1.00 0.00 C ATOM 1480 C THR A 97 121.927 9.838 -2.526 1.00 0.00 C ATOM 1481 O THR A 97 123.118 9.555 -2.655 1.00 0.00 O ATOM 1482 CB THR A 97 121.776 12.260 -3.118 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.462 13.552 -2.617 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.922 11.969 -4.353 1.00 0.00 C ATOM 0 H THR A 97 123.168 11.848 -0.945 1.00 0.00 H new ATOM 0 HA THR A 97 120.420 11.195 -1.832 1.00 0.00 H new ATOM 0 HB THR A 97 122.830 12.221 -3.392 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.646 14.224 -3.306 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.127 12.715 -5.121 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.163 10.978 -4.737 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.867 12.007 -4.083 1.00 0.00 H new ATOM 1492 N TYR A 98 120.941 8.994 -2.796 1.00 0.00 N ATOM 1493 CA TYR A 98 121.185 7.650 -3.300 1.00 0.00 C ATOM 1494 C TYR A 98 120.623 7.539 -4.713 1.00 0.00 C ATOM 1495 O TYR A 98 119.664 8.226 -5.053 1.00 0.00 O ATOM 1496 CB TYR A 98 120.491 6.627 -2.396 1.00 0.00 C ATOM 1497 CG TYR A 98 120.926 6.679 -0.948 1.00 0.00 C ATOM 1498 CD1 TYR A 98 122.002 5.898 -0.508 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.245 7.501 -0.040 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.397 5.940 0.836 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.641 7.543 1.303 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.716 6.763 1.742 1.00 0.00 C ATOM 1503 OH TYR A 98 122.107 6.802 3.067 1.00 0.00 O ATOM 0 H TYR A 98 119.954 9.220 -2.673 1.00 0.00 H new ATOM 0 HA TYR A 98 122.257 7.452 -3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.414 6.787 -2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.683 5.627 -2.785 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.528 5.263 -1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.414 8.103 -0.376 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.227 5.337 1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 98 120.116 8.178 2.000 1.00 0.00 H new ATOM 0 HH TYR A 98 121.649 7.540 3.522 1.00 0.00 H new ATOM 1513 N ALA A 99 121.207 6.670 -5.529 1.00 0.00 N ATOM 1514 CA ALA A 99 120.755 6.511 -6.907 1.00 0.00 C ATOM 1515 C ALA A 99 119.624 5.490 -6.982 1.00 0.00 C ATOM 1516 O ALA A 99 119.769 4.354 -6.531 1.00 0.00 O ATOM 1517 CB ALA A 99 121.919 6.051 -7.790 1.00 0.00 C ATOM 0 H ALA A 99 121.988 6.069 -5.265 1.00 0.00 H new ATOM 0 HA ALA A 99 120.388 7.473 -7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.573 5.935 -8.817 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.716 6.794 -7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.298 5.096 -7.425 1.00 0.00 H new ATOM 1523 N LEU A 100 118.497 5.903 -7.555 1.00 0.00 N ATOM 1524 CA LEU A 100 117.360 5.005 -7.709 1.00 0.00 C ATOM 1525 C LEU A 100 117.575 4.104 -8.913 1.00 0.00 C ATOM 1526 O LEU A 100 117.388 2.890 -8.841 1.00 0.00 O ATOM 1527 CB LEU A 100 116.071 5.802 -7.916 1.00 0.00 C ATOM 1528 CG LEU A 100 115.524 6.270 -6.570 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.578 7.449 -6.801 1.00 0.00 C ATOM 1530 CD2 LEU A 100 114.750 5.123 -5.918 1.00 0.00 C ATOM 0 H LEU A 100 118.348 6.845 -7.917 1.00 0.00 H new ATOM 0 HA LEU A 100 117.273 4.405 -6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.264 6.662 -8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.330 5.185 -8.424 1.00 0.00 H new ATOM 0 HG LEU A 100 116.344 6.576 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.182 7.790 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.122 8.263 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.755 7.135 -7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.356 5.450 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 100 113.925 4.826 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.416 4.274 -5.767 1.00 0.00 H new ATOM 1542 N ASN A 101 117.971 4.718 -10.024 1.00 0.00 N ATOM 1543 CA ASN A 101 118.199 3.971 -11.263 1.00 0.00 C ATOM 1544 C ASN A 101 119.667 4.022 -11.679 1.00 0.00 C ATOM 1545 O ASN A 101 120.458 4.805 -11.153 1.00 0.00 O ATOM 1546 CB ASN A 101 117.304 4.518 -12.382 1.00 0.00 C ATOM 1547 CG ASN A 101 117.691 5.945 -12.763 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.653 6.501 -12.237 1.00 0.00 O ATOM 1549 ND2 ASN A 101 116.985 6.578 -13.660 1.00 0.00 N ATOM 0 H ASN A 101 118.140 5.721 -10.095 1.00 0.00 H new ATOM 0 HA ASN A 101 117.941 2.928 -11.082 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.380 3.873 -13.258 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.263 4.496 -12.060 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.232 7.532 -13.923 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.186 6.119 -14.098 1.00 0.00 H new ATOM 1556 N ASP A 102 120.026 3.174 -12.637 1.00 0.00 N ATOM 1557 CA ASP A 102 121.418 3.053 -13.059 1.00 0.00 C ATOM 1558 C ASP A 102 122.010 4.406 -13.449 1.00 0.00 C ATOM 1559 O ASP A 102 123.192 4.658 -13.225 1.00 0.00 O ATOM 1560 CB ASP A 102 121.521 2.082 -14.240 1.00 0.00 C ATOM 1561 CG ASP A 102 120.770 2.622 -15.456 1.00 0.00 C ATOM 1562 OD1 ASP A 102 119.807 3.350 -15.269 1.00 0.00 O ATOM 1563 OD2 ASP A 102 121.170 2.299 -16.562 1.00 0.00 O ATOM 0 H ASP A 102 119.377 2.563 -13.134 1.00 0.00 H new ATOM 0 HA ASP A 102 121.990 2.669 -12.214 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.569 1.923 -14.495 1.00 0.00 H new ATOM 0 HB3 ASP A 102 121.112 1.112 -13.956 1.00 0.00 H new ATOM 1568 N ARG A 103 121.189 5.280 -14.018 1.00 0.00 N ATOM 1569 CA ARG A 103 121.667 6.575 -14.484 1.00 0.00 C ATOM 1570 C ARG A 103 122.230 7.391 -13.322 1.00 0.00 C ATOM 1571 O ARG A 103 123.349 7.901 -13.381 1.00 0.00 O ATOM 1572 CB ARG A 103 120.499 7.314 -15.136 1.00 0.00 C ATOM 1573 CG ARG A 103 120.052 6.538 -16.378 1.00 0.00 C ATOM 1574 CD ARG A 103 118.775 7.161 -16.940 1.00 0.00 C ATOM 1575 NE ARG A 103 119.043 8.515 -17.423 1.00 0.00 N ATOM 1576 CZ ARG A 103 119.522 8.791 -18.640 1.00 0.00 C ATOM 1577 NH1 ARG A 103 119.787 7.859 -19.522 1.00 0.00 N ATOM 1578 NH2 ARG A 103 119.725 10.042 -18.945 1.00 0.00 N ATOM 0 H ARG A 103 120.193 5.117 -14.167 1.00 0.00 H new ATOM 0 HA ARG A 103 122.469 6.432 -15.208 1.00 0.00 H new ATOM 0 HB2 ARG A 103 119.672 7.407 -14.432 1.00 0.00 H new ATOM 0 HB3 ARG A 103 120.799 8.325 -15.411 1.00 0.00 H new ATOM 0 HG2 ARG A 103 120.839 6.554 -17.132 1.00 0.00 H new ATOM 0 HG3 ARG A 103 119.877 5.493 -16.123 1.00 0.00 H new ATOM 0 HD2 ARG A 103 118.390 6.547 -17.754 1.00 0.00 H new ATOM 0 HD3 ARG A 103 118.005 7.188 -16.169 1.00 0.00 H new ATOM 0 HE ARG A 103 118.853 9.295 -16.794 1.00 0.00 H new ATOM 0 HH11 ARG A 103 119.629 6.878 -19.291 1.00 0.00 H new ATOM 0 HH12 ARG A 103 120.152 8.114 -20.440 1.00 0.00 H new ATOM 0 HH21 ARG A 103 119.519 10.773 -18.264 1.00 0.00 H new ATOM 0 HH22 ARG A 103 120.090 10.290 -19.865 1.00 0.00 H new ATOM 1592 N ALA A 104 121.464 7.470 -12.241 1.00 0.00 N ATOM 1593 CA ALA A 104 121.917 8.173 -11.044 1.00 0.00 C ATOM 1594 C ALA A 104 123.213 7.566 -10.507 1.00 0.00 C ATOM 1595 O ALA A 104 124.082 8.278 -9.999 1.00 0.00 O ATOM 1596 CB ALA A 104 120.838 8.103 -9.963 1.00 0.00 C ATOM 0 H ALA A 104 120.533 7.060 -12.167 1.00 0.00 H new ATOM 0 HA ALA A 104 122.106 9.212 -11.312 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.181 8.629 -9.072 1.00 0.00 H new ATOM 0 HB2 ALA A 104 119.924 8.569 -10.331 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.639 7.061 -9.715 1.00 0.00 H new ATOM 1602 N GLU A 105 123.327 6.243 -10.590 1.00 0.00 N ATOM 1603 CA GLU A 105 124.540 5.568 -10.145 1.00 0.00 C ATOM 1604 C GLU A 105 125.736 6.046 -10.967 1.00 0.00 C ATOM 1605 O GLU A 105 126.804 6.328 -10.427 1.00 0.00 O ATOM 1606 CB GLU A 105 124.379 4.054 -10.290 1.00 0.00 C ATOM 1607 CG GLU A 105 125.507 3.353 -9.528 1.00 0.00 C ATOM 1608 CD GLU A 105 125.466 1.832 -9.713 1.00 0.00 C ATOM 1609 OE1 GLU A 105 124.608 1.338 -10.432 1.00 0.00 O ATOM 1610 OE2 GLU A 105 126.307 1.173 -9.124 1.00 0.00 O ATOM 0 H GLU A 105 122.603 5.625 -10.957 1.00 0.00 H new ATOM 0 HA GLU A 105 124.713 5.807 -9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 105 123.411 3.740 -9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 105 124.405 3.773 -11.343 1.00 0.00 H new ATOM 0 HG2 GLU A 105 126.468 3.734 -9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 105 125.431 3.591 -8.467 1.00 0.00 H new ATOM 1617 N LYS A 106 125.537 6.182 -12.274 1.00 0.00 N ATOM 1618 CA LYS A 106 126.575 6.717 -13.156 1.00 0.00 C ATOM 1619 C LYS A 106 127.012 8.116 -12.712 1.00 0.00 C ATOM 1620 O LYS A 106 128.178 8.485 -12.852 1.00 0.00 O ATOM 1621 CB LYS A 106 126.052 6.776 -14.593 1.00 0.00 C ATOM 1622 CG LYS A 106 127.182 7.190 -15.537 1.00 0.00 C ATOM 1623 CD LYS A 106 126.635 7.331 -16.960 1.00 0.00 C ATOM 1624 CE LYS A 106 127.790 7.594 -17.928 1.00 0.00 C ATOM 1625 NZ LYS A 106 127.378 7.212 -19.308 1.00 0.00 N ATOM 0 H LYS A 106 124.669 5.931 -12.748 1.00 0.00 H new ATOM 0 HA LYS A 106 127.439 6.055 -13.104 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.658 5.803 -14.887 1.00 0.00 H new ATOM 0 HB3 LYS A 106 125.229 7.487 -14.662 1.00 0.00 H new ATOM 0 HG2 LYS A 106 127.617 8.134 -15.208 1.00 0.00 H new ATOM 0 HG3 LYS A 106 127.979 6.447 -15.515 1.00 0.00 H new ATOM 0 HD2 LYS A 106 126.104 6.424 -17.248 1.00 0.00 H new ATOM 0 HD3 LYS A 106 125.916 8.149 -17.005 1.00 0.00 H new ATOM 0 HE2 LYS A 106 128.070 8.647 -17.899 1.00 0.00 H new ATOM 0 HE3 LYS A 106 128.668 7.022 -17.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 128.163 7.391 -19.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 127.131 6.202 -19.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 126.552 7.776 -19.593 1.00 0.00 H new ATOM 1639 N ALA A 107 126.069 8.890 -12.178 1.00 0.00 N ATOM 1640 CA ALA A 107 126.352 10.240 -11.688 1.00 0.00 C ATOM 1641 C ALA A 107 127.063 10.250 -10.326 1.00 0.00 C ATOM 1642 O ALA A 107 127.210 11.310 -9.715 1.00 0.00 O ATOM 1643 CB ALA A 107 125.046 11.028 -11.577 1.00 0.00 C ATOM 0 H ALA A 107 125.096 8.604 -12.073 1.00 0.00 H new ATOM 0 HA ALA A 107 127.027 10.702 -12.409 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.257 12.033 -11.212 1.00 0.00 H new ATOM 0 HB2 ALA A 107 124.574 11.090 -12.557 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.375 10.524 -10.882 1.00 0.00 H new ATOM 1649 N GLY A 108 127.502 9.088 -9.846 1.00 0.00 N ATOM 1650 CA GLY A 108 128.270 9.012 -8.607 1.00 0.00 C ATOM 1651 C GLY A 108 127.404 9.100 -7.351 1.00 0.00 C ATOM 1652 O GLY A 108 127.894 9.481 -6.287 1.00 0.00 O ATOM 0 H GLY A 108 127.339 8.188 -10.296 1.00 0.00 H new ATOM 0 HA2 GLY A 108 128.827 8.075 -8.590 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.002 9.819 -8.592 1.00 0.00 H new ATOM 1656 N HIS A 109 126.123 8.754 -7.467 1.00 0.00 N ATOM 1657 CA HIS A 109 125.273 8.635 -6.288 1.00 0.00 C ATOM 1658 C HIS A 109 125.203 7.162 -5.857 1.00 0.00 C ATOM 1659 O HIS A 109 124.619 6.361 -6.590 1.00 0.00 O ATOM 1660 CB HIS A 109 123.863 9.122 -6.628 1.00 0.00 C ATOM 1661 CG HIS A 109 123.763 10.617 -6.765 1.00 0.00 C ATOM 1662 ND1 HIS A 109 123.971 11.473 -5.695 1.00 0.00 N ATOM 1663 CD2 HIS A 109 123.479 11.423 -7.840 1.00 0.00 C ATOM 1664 CE1 HIS A 109 123.811 12.730 -6.145 1.00 0.00 C ATOM 1665 NE2 HIS A 109 123.509 12.757 -7.446 1.00 0.00 N ATOM 0 H HIS A 109 125.658 8.554 -8.352 1.00 0.00 H new ATOM 0 HA HIS A 109 125.687 9.237 -5.479 1.00 0.00 H new ATOM 0 HB2 HIS A 109 123.541 8.657 -7.560 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.175 8.789 -5.851 1.00 0.00 H new ATOM 0 HD2 HIS A 109 123.265 11.074 -8.839 1.00 0.00 H new ATOM 0 HE1 HIS A 109 123.914 13.611 -5.529 1.00 0.00 H new ATOM 0 HE2 HIS A 109 123.337 13.579 -8.026 1.00 0.00 H new ATOM 1673 N PRO A 110 125.757 6.768 -4.722 1.00 0.00 N ATOM 1674 CA PRO A 110 125.716 5.331 -4.300 1.00 0.00 C ATOM 1675 C PRO A 110 124.283 4.794 -4.268 1.00 0.00 C ATOM 1676 O PRO A 110 123.357 5.569 -4.037 1.00 0.00 O ATOM 1677 CB PRO A 110 126.330 5.321 -2.898 1.00 0.00 C ATOM 1678 CG PRO A 110 127.164 6.553 -2.823 1.00 0.00 C ATOM 1679 CD PRO A 110 126.489 7.580 -3.730 1.00 0.00 C ATOM 0 HA PRO A 110 126.256 4.691 -4.997 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.556 5.323 -2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 110 126.934 4.427 -2.740 1.00 0.00 H new ATOM 0 HG2 PRO A 110 127.226 6.920 -1.798 1.00 0.00 H new ATOM 0 HG3 PRO A 110 128.184 6.353 -3.152 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.813 8.224 -3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 110 127.222 8.229 -4.210 1.00 0.00 H new ATOM 1687 N PRO A 111 124.066 3.516 -4.502 1.00 0.00 N ATOM 1688 CA PRO A 111 122.678 2.956 -4.530 1.00 0.00 C ATOM 1689 C PRO A 111 122.021 2.961 -3.152 1.00 0.00 C ATOM 1690 O PRO A 111 122.704 3.016 -2.129 1.00 0.00 O ATOM 1691 CB PRO A 111 122.851 1.528 -5.056 1.00 0.00 C ATOM 1692 CG PRO A 111 124.265 1.160 -4.766 1.00 0.00 C ATOM 1693 CD PRO A 111 125.067 2.460 -4.753 1.00 0.00 C ATOM 0 HA PRO A 111 122.018 3.557 -5.156 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.160 0.843 -4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 111 122.644 1.477 -6.125 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.342 0.649 -3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 111 124.649 0.476 -5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.831 2.446 -3.976 1.00 0.00 H new ATOM 0 HD3 PRO A 111 125.580 2.618 -5.702 1.00 0.00 H new ATOM 1701 N ILE A 112 120.690 2.904 -3.132 1.00 0.00 N ATOM 1702 CA ILE A 112 119.949 2.892 -1.868 1.00 0.00 C ATOM 1703 C ILE A 112 120.291 1.667 -1.002 1.00 0.00 C ATOM 1704 O ILE A 112 119.943 1.650 0.177 1.00 0.00 O ATOM 1705 CB ILE A 112 118.433 2.942 -2.140 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.112 4.196 -2.959 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.658 3.003 -0.813 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.653 4.170 -3.428 1.00 0.00 C ATOM 0 H ILE A 112 120.106 2.866 -3.967 1.00 0.00 H new ATOM 0 HA ILE A 112 120.249 3.778 -1.309 1.00 0.00 H new ATOM 0 HB ILE A 112 118.140 2.046 -2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.291 5.087 -2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.777 4.255 -3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.588 3.038 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.885 2.118 -0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.951 3.896 -0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.441 5.068 -4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.486 3.289 -4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 112 115.993 4.134 -2.561 1.00 0.00 H new ATOM 1720 N THR A 113 121.006 0.677 -1.545 1.00 0.00 N ATOM 1721 CA THR A 113 121.238 -0.583 -0.837 1.00 0.00 C ATOM 1722 C THR A 113 121.621 -0.447 0.649 1.00 0.00 C ATOM 1723 O THR A 113 121.107 -1.246 1.436 1.00 0.00 O ATOM 1724 CB THR A 113 122.231 -1.478 -1.601 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.078 -2.817 -1.154 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.689 -1.054 -1.398 1.00 0.00 C ATOM 0 H THR A 113 121.433 0.725 -2.470 1.00 0.00 H new ATOM 0 HA THR A 113 120.263 -1.071 -0.817 1.00 0.00 H new ATOM 0 HB THR A 113 122.007 -1.382 -2.663 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.705 -3.396 -1.635 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.343 -1.720 -1.960 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.823 -0.031 -1.751 1.00 0.00 H new ATOM 0 HG23 THR A 113 123.939 -1.108 -0.339 1.00 0.00 H new ATOM 1734 N PRO A 114 122.428 0.507 1.095 1.00 0.00 N ATOM 1735 CA PRO A 114 122.848 0.545 2.535 1.00 0.00 C ATOM 1736 C PRO A 114 121.653 0.650 3.483 1.00 0.00 C ATOM 1737 O PRO A 114 121.679 0.108 4.588 1.00 0.00 O ATOM 1738 CB PRO A 114 123.758 1.771 2.655 1.00 0.00 C ATOM 1739 CG PRO A 114 124.171 2.089 1.260 1.00 0.00 C ATOM 1740 CD PRO A 114 122.995 1.673 0.384 1.00 0.00 C ATOM 0 HA PRO A 114 123.358 -0.375 2.820 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.231 2.609 3.110 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.623 1.559 3.283 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.388 3.151 1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.076 1.548 0.985 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.265 2.476 0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.318 1.410 -0.623 1.00 0.00 H new ATOM 1748 N ILE A 115 120.607 1.349 3.047 1.00 0.00 N ATOM 1749 CA ILE A 115 119.393 1.502 3.856 1.00 0.00 C ATOM 1750 C ILE A 115 118.274 0.532 3.456 1.00 0.00 C ATOM 1751 O ILE A 115 117.165 0.643 3.972 1.00 0.00 O ATOM 1752 CB ILE A 115 118.851 2.939 3.786 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.753 3.419 2.329 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.762 3.871 4.589 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.948 4.721 2.253 1.00 0.00 C ATOM 0 H ILE A 115 120.572 1.818 2.142 1.00 0.00 H new ATOM 0 HA ILE A 115 119.696 1.266 4.876 1.00 0.00 H new ATOM 0 HB ILE A 115 117.849 2.954 4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.752 3.576 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.277 2.653 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.376 4.889 4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.790 3.545 5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.769 3.843 4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.886 5.050 1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.943 4.551 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.441 5.489 2.849 1.00 0.00 H new ATOM 1767 N ARG A 116 118.542 -0.410 2.552 1.00 0.00 N ATOM 1768 CA ARG A 116 117.512 -1.339 2.098 1.00 0.00 C ATOM 1769 C ARG A 116 117.269 -2.429 3.138 1.00 0.00 C ATOM 1770 O ARG A 116 118.204 -2.913 3.776 1.00 0.00 O ATOM 1771 CB ARG A 116 117.940 -1.981 0.777 1.00 0.00 C ATOM 1772 CG ARG A 116 116.786 -2.809 0.210 1.00 0.00 C ATOM 1773 CD ARG A 116 117.253 -3.541 -1.049 1.00 0.00 C ATOM 1774 NE ARG A 116 117.686 -2.578 -2.066 1.00 0.00 N ATOM 1775 CZ ARG A 116 117.951 -2.915 -3.338 1.00 0.00 C ATOM 1776 NH1 ARG A 116 117.836 -4.146 -3.775 1.00 0.00 N ATOM 1777 NH2 ARG A 116 118.337 -1.985 -4.169 1.00 0.00 N ATOM 0 H ARG A 116 119.457 -0.548 2.123 1.00 0.00 H new ATOM 0 HA ARG A 116 116.586 -0.782 1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.232 -1.210 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.812 -2.615 0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.440 -3.527 0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 116 115.941 -2.162 -0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 116 118.074 -4.214 -0.803 1.00 0.00 H new ATOM 0 HD3 ARG A 116 116.443 -4.156 -1.442 1.00 0.00 H new ATOM 0 HE ARG A 116 117.791 -1.601 -1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 116 117.536 -4.886 -3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 116 118.046 -4.363 -4.749 1.00 0.00 H new ATOM 0 HH21 ARG A 116 118.433 -1.022 -3.848 1.00 0.00 H new ATOM 0 HH22 ARG A 116 118.543 -2.222 -5.140 1.00 0.00 H new ATOM 1791 N ALA A 117 116.007 -2.809 3.303 1.00 0.00 N ATOM 1792 CA ALA A 117 115.635 -3.832 4.273 1.00 0.00 C ATOM 1793 C ALA A 117 115.952 -5.231 3.756 1.00 0.00 C ATOM 1794 O ALA A 117 115.846 -5.507 2.560 1.00 0.00 O ATOM 1795 CB ALA A 117 114.138 -3.740 4.561 1.00 0.00 C ATOM 0 H ALA A 117 115.223 -2.423 2.777 1.00 0.00 H new ATOM 0 HA ALA A 117 116.211 -3.659 5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 117 113.859 -4.505 5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 117 113.905 -2.755 4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.580 -3.895 3.638 1.00 0.00 H new ATOM 1883 N ILE A 125 114.760 -6.983 -0.104 1.00 0.00 N ATOM 1884 CA ILE A 125 113.407 -6.542 -0.423 1.00 0.00 C ATOM 1885 C ILE A 125 113.439 -5.540 -1.577 1.00 0.00 C ATOM 1886 O ILE A 125 114.175 -4.554 -1.544 1.00 0.00 O ATOM 1887 CB ILE A 125 112.759 -5.940 0.833 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.683 -7.018 1.923 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.341 -5.453 0.521 1.00 0.00 C ATOM 1890 CD1 ILE A 125 112.468 -6.371 3.292 1.00 0.00 C ATOM 0 HA ILE A 125 112.806 -7.392 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 125 113.361 -5.096 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.867 -7.708 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.602 -7.604 1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.896 -5.029 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.381 -4.691 -0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.736 -6.292 0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 125 112.416 -7.146 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 125 113.298 -5.700 3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 125 111.536 -5.805 3.285 1.00 0.00 H new ATOM 1902 N SER A 126 112.623 -5.809 -2.593 1.00 0.00 N ATOM 1903 CA SER A 126 112.641 -5.023 -3.823 1.00 0.00 C ATOM 1904 C SER A 126 112.260 -3.568 -3.581 1.00 0.00 C ATOM 1905 O SER A 126 111.342 -3.264 -2.818 1.00 0.00 O ATOM 1906 CB SER A 126 111.668 -5.634 -4.833 1.00 0.00 C ATOM 1907 OG SER A 126 112.050 -6.977 -5.094 1.00 0.00 O ATOM 0 H SER A 126 111.940 -6.567 -2.588 1.00 0.00 H new ATOM 0 HA SER A 126 113.660 -5.043 -4.210 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.651 -5.602 -4.442 1.00 0.00 H new ATOM 0 HB3 SER A 126 111.673 -5.056 -5.757 1.00 0.00 H new ATOM 0 HG SER A 126 111.429 -7.374 -5.739 1.00 0.00 H new ATOM 1913 N LEU A 127 112.985 -2.677 -4.248 1.00 0.00 N ATOM 1914 CA LEU A 127 112.633 -1.255 -4.266 1.00 0.00 C ATOM 1915 C LEU A 127 111.817 -0.880 -5.516 1.00 0.00 C ATOM 1916 O LEU A 127 111.623 0.303 -5.795 1.00 0.00 O ATOM 1917 CB LEU A 127 113.905 -0.397 -4.241 1.00 0.00 C ATOM 1918 CG LEU A 127 114.802 -0.782 -3.059 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.078 0.062 -3.095 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.069 -0.523 -1.741 1.00 0.00 C ATOM 0 H LEU A 127 113.821 -2.910 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 127 112.025 -1.066 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.453 -0.524 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.636 0.657 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 127 115.053 -1.840 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.718 -0.210 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.609 -0.120 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 127 115.818 1.118 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.713 -0.799 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 127 113.814 0.534 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.157 -1.119 -1.708 1.00 0.00 H new ATOM 1932 N GLY A 128 111.343 -1.870 -6.277 1.00 0.00 N ATOM 1933 CA GLY A 128 110.683 -1.609 -7.553 1.00 0.00 C ATOM 1934 C GLY A 128 109.609 -0.527 -7.455 1.00 0.00 C ATOM 1935 O GLY A 128 109.551 0.364 -8.302 1.00 0.00 O ATOM 0 H GLY A 128 111.405 -2.858 -6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.430 -1.308 -8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.231 -2.531 -7.918 1.00 0.00 H new ATOM 1939 N ALA A 129 108.776 -0.586 -6.420 1.00 0.00 N ATOM 1940 CA ALA A 129 107.670 0.362 -6.297 1.00 0.00 C ATOM 1941 C ALA A 129 108.188 1.796 -6.255 1.00 0.00 C ATOM 1942 O ALA A 129 107.732 2.659 -7.008 1.00 0.00 O ATOM 1943 CB ALA A 129 106.870 0.069 -5.026 1.00 0.00 C ATOM 0 H ALA A 129 108.842 -1.268 -5.665 1.00 0.00 H new ATOM 0 HA ALA A 129 107.025 0.249 -7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.048 0.780 -4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.471 -0.944 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.521 0.162 -4.157 1.00 0.00 H new ATOM 1949 N LEU A 130 109.171 2.040 -5.397 1.00 0.00 N ATOM 1950 CA LEU A 130 109.730 3.379 -5.255 1.00 0.00 C ATOM 1951 C LEU A 130 110.295 3.865 -6.587 1.00 0.00 C ATOM 1952 O LEU A 130 110.091 5.014 -6.980 1.00 0.00 O ATOM 1953 CB LEU A 130 110.832 3.357 -4.193 1.00 0.00 C ATOM 1954 CG LEU A 130 111.369 4.770 -3.958 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.310 5.606 -3.237 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.633 4.693 -3.097 1.00 0.00 C ATOM 0 H LEU A 130 109.595 1.335 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 130 108.941 4.065 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.441 2.949 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.642 2.701 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 130 111.606 5.235 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.693 6.613 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.409 5.657 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.072 5.144 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.019 5.698 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.394 4.230 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.387 4.097 -3.610 1.00 0.00 H new ATOM 1968 N LEU A 131 110.981 2.973 -7.292 1.00 0.00 N ATOM 1969 CA LEU A 131 111.597 3.335 -8.562 1.00 0.00 C ATOM 1970 C LEU A 131 110.542 3.799 -9.558 1.00 0.00 C ATOM 1971 O LEU A 131 110.721 4.810 -10.234 1.00 0.00 O ATOM 1972 CB LEU A 131 112.352 2.131 -9.131 1.00 0.00 C ATOM 1973 CG LEU A 131 113.105 2.533 -10.401 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.306 3.404 -10.031 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.593 1.272 -11.120 1.00 0.00 C ATOM 0 H LEU A 131 111.124 2.003 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 131 112.295 4.154 -8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.053 1.748 -8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.652 1.326 -9.354 1.00 0.00 H new ATOM 0 HG LEU A 131 112.439 3.095 -11.056 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.841 3.689 -10.937 1.00 0.00 H new ATOM 0 HD12 LEU A 131 113.960 4.300 -9.516 1.00 0.00 H new ATOM 0 HD13 LEU A 131 114.974 2.844 -9.376 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.130 1.554 -12.026 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.259 0.713 -10.463 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.738 0.650 -11.384 1.00 0.00 H new ATOM 1987 N SER A 132 109.428 3.079 -9.622 1.00 0.00 N ATOM 1988 CA SER A 132 108.385 3.402 -10.587 1.00 0.00 C ATOM 1989 C SER A 132 107.849 4.809 -10.351 1.00 0.00 C ATOM 1990 O SER A 132 107.668 5.577 -11.295 1.00 0.00 O ATOM 1991 CB SER A 132 107.241 2.392 -10.479 1.00 0.00 C ATOM 1992 OG SER A 132 106.580 2.567 -9.233 1.00 0.00 O ATOM 0 H SER A 132 109.225 2.277 -9.025 1.00 0.00 H new ATOM 0 HA SER A 132 108.817 3.355 -11.587 1.00 0.00 H new ATOM 0 HB2 SER A 132 106.538 2.532 -11.300 1.00 0.00 H new ATOM 0 HB3 SER A 132 107.628 1.376 -10.560 1.00 0.00 H new ATOM 0 HG SER A 132 107.224 2.457 -8.503 1.00 0.00 H new ATOM 1998 N THR A 133 107.639 5.159 -9.085 1.00 0.00 N ATOM 1999 CA THR A 133 107.096 6.473 -8.759 1.00 0.00 C ATOM 2000 C THR A 133 108.029 7.576 -9.246 1.00 0.00 C ATOM 2001 O THR A 133 107.597 8.529 -9.900 1.00 0.00 O ATOM 2002 CB THR A 133 106.892 6.597 -7.248 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.103 5.510 -6.787 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.183 7.915 -6.930 1.00 0.00 C ATOM 0 H THR A 133 107.833 4.562 -8.281 1.00 0.00 H new ATOM 0 HA THR A 133 106.135 6.582 -9.261 1.00 0.00 H new ATOM 0 HB THR A 133 107.861 6.581 -6.750 1.00 0.00 H new ATOM 0 HG1 THR A 133 105.973 5.588 -5.819 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.039 8.000 -5.853 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.790 8.749 -7.282 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.214 7.936 -7.428 1.00 0.00 H new ATOM 2012 N THR A 134 109.317 7.425 -8.958 1.00 0.00 N ATOM 2013 CA THR A 134 110.286 8.451 -9.329 1.00 0.00 C ATOM 2014 C THR A 134 110.358 8.612 -10.845 1.00 0.00 C ATOM 2015 O THR A 134 110.431 9.730 -11.353 1.00 0.00 O ATOM 2016 CB THR A 134 111.664 8.100 -8.767 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.546 7.871 -7.370 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.627 9.264 -9.016 1.00 0.00 C ATOM 0 H THR A 134 109.710 6.616 -8.477 1.00 0.00 H new ATOM 0 HA THR A 134 109.960 9.400 -8.903 1.00 0.00 H new ATOM 0 HB THR A 134 112.048 7.205 -9.257 1.00 0.00 H new ATOM 0 HG1 THR A 134 111.193 6.970 -7.215 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.610 9.015 -8.616 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.707 9.447 -10.088 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.250 10.160 -8.522 1.00 0.00 H new ATOM 2026 N LEU A 135 110.316 7.497 -11.569 1.00 0.00 N ATOM 2027 CA LEU A 135 110.372 7.547 -13.026 1.00 0.00 C ATOM 2028 C LEU A 135 109.202 8.351 -13.586 1.00 0.00 C ATOM 2029 O LEU A 135 109.364 9.108 -14.543 1.00 0.00 O ATOM 2030 CB LEU A 135 110.348 6.131 -13.606 1.00 0.00 C ATOM 2031 CG LEU A 135 111.631 5.393 -13.218 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.500 3.913 -13.586 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.815 5.998 -13.976 1.00 0.00 C ATOM 0 H LEU A 135 110.244 6.558 -11.176 1.00 0.00 H new ATOM 0 HA LEU A 135 111.302 8.037 -13.312 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.479 5.590 -13.233 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.256 6.174 -14.691 1.00 0.00 H new ATOM 0 HG LEU A 135 111.794 5.490 -12.145 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.414 3.387 -13.310 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.655 3.478 -13.051 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.337 3.818 -14.660 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.730 5.473 -13.701 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.649 5.899 -15.049 1.00 0.00 H new ATOM 0 HD23 LEU A 135 112.911 7.053 -13.719 1.00 0.00 H new ATOM 2045 N ASN A 136 108.026 8.184 -12.989 1.00 0.00 N ATOM 2046 CA ASN A 136 106.851 8.927 -13.429 1.00 0.00 C ATOM 2047 C ASN A 136 107.104 10.428 -13.324 1.00 0.00 C ATOM 2048 O ASN A 136 106.750 11.192 -14.221 1.00 0.00 O ATOM 2049 CB ASN A 136 105.641 8.549 -12.571 1.00 0.00 C ATOM 2050 CG ASN A 136 104.355 9.062 -13.215 1.00 0.00 C ATOM 2051 OD1 ASN A 136 104.308 9.283 -14.425 1.00 0.00 O ATOM 2052 ND2 ASN A 136 103.303 9.265 -12.472 1.00 0.00 N ATOM 0 H ASN A 136 107.862 7.548 -12.208 1.00 0.00 H new ATOM 0 HA ASN A 136 106.649 8.673 -14.469 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.592 7.466 -12.456 1.00 0.00 H new ATOM 0 HB3 ASN A 136 105.749 8.971 -11.572 1.00 0.00 H new ATOM 0 HD21 ASN A 136 102.439 9.607 -12.893 1.00 0.00 H new ATOM 0 HD22 ASN A 136 103.344 9.081 -11.469 1.00 0.00 H new ATOM 2059 N LEU A 137 107.719 10.839 -12.219 1.00 0.00 N ATOM 2060 CA LEU A 137 108.046 12.249 -12.017 1.00 0.00 C ATOM 2061 C LEU A 137 109.012 12.747 -13.089 1.00 0.00 C ATOM 2062 O LEU A 137 108.891 13.872 -13.573 1.00 0.00 O ATOM 2063 CB LEU A 137 108.671 12.449 -10.634 1.00 0.00 C ATOM 2064 CG LEU A 137 107.720 11.939 -9.547 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.397 12.073 -8.181 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.430 12.766 -9.552 1.00 0.00 C ATOM 0 H LEU A 137 107.999 10.223 -11.456 1.00 0.00 H new ATOM 0 HA LEU A 137 107.122 12.823 -12.088 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.621 11.918 -10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.886 13.505 -10.473 1.00 0.00 H new ATOM 0 HG LEU A 137 107.479 10.894 -9.742 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.724 11.711 -7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.314 11.484 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.636 13.120 -7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.759 12.398 -8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.668 13.812 -9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.945 12.677 -10.524 1.00 0.00 H new ATOM 2078 N CYS A 138 109.972 11.904 -13.454 1.00 0.00 N ATOM 2079 CA CYS A 138 110.931 12.253 -14.502 1.00 0.00 C ATOM 2080 C CYS A 138 110.241 12.536 -15.841 1.00 0.00 C ATOM 2081 O CYS A 138 110.783 13.265 -16.673 1.00 0.00 O ATOM 2082 CB CYS A 138 111.931 11.106 -14.682 1.00 0.00 C ATOM 2083 SG CYS A 138 113.267 11.197 -13.456 1.00 0.00 S ATOM 0 H CYS A 138 110.109 10.980 -13.044 1.00 0.00 H new ATOM 0 HA CYS A 138 111.445 13.163 -14.191 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.413 10.151 -14.589 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.353 11.143 -15.686 1.00 0.00 H new ATOM 2088 N GLY A 139 109.056 11.968 -16.056 1.00 0.00 N ATOM 2089 CA GLY A 139 108.327 12.186 -17.304 1.00 0.00 C ATOM 2090 C GLY A 139 108.830 11.294 -18.444 1.00 0.00 C ATOM 2091 O GLY A 139 108.644 11.625 -19.615 1.00 0.00 O ATOM 0 H GLY A 139 108.583 11.358 -15.389 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.267 11.995 -17.139 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.421 13.232 -17.597 1.00 0.00 H new