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 -55:sc= 1.25 USER MOD Set 1.2: A 66 ASN : amide:sc= 1.08 K(o=2.3,f=-3.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.845 K(o=-0.84,f=-2.7!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -74:sc= 0.308 USER MOD Single : A 77 HIS : no HD1:sc= -2.01 K(o=-2,f=-4.3!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot -14:sc= 0.0214 USER MOD Single : A 101 ASN : amide:sc= -1.56 K(o=-1.6,f=-5.4!) USER MOD Single : A 106 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0649) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,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= 0.333 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot -20:sc= -0.768 USER MOD Single : A 136 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 109.025 16.612 -8.237 1.00 0.00 N ATOM 920 CA LYS A 59 109.293 15.861 -7.009 1.00 0.00 C ATOM 921 C LYS A 59 108.027 15.564 -6.196 1.00 0.00 C ATOM 922 O LYS A 59 106.986 16.192 -6.387 1.00 0.00 O ATOM 923 CB LYS A 59 110.322 16.620 -6.158 1.00 0.00 C ATOM 924 CG LYS A 59 109.726 17.913 -5.591 1.00 0.00 C ATOM 925 CD LYS A 59 110.816 18.702 -4.863 1.00 0.00 C ATOM 926 CE LYS A 59 110.175 19.818 -4.036 1.00 0.00 C ATOM 927 NZ LYS A 59 111.165 20.335 -3.049 1.00 0.00 N ATOM 0 HA LYS A 59 109.697 14.892 -7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.662 15.984 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.197 16.855 -6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 59 109.303 18.514 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 59 108.911 17.680 -4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.388 18.038 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 59 111.516 19.125 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 59 109.842 20.624 -4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 59 109.292 19.441 -3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 110.730 21.094 -2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.462 19.563 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 111.994 20.709 -3.553 1.00 0.00 H new ATOM 941 N GLN A 60 108.144 14.595 -5.289 1.00 0.00 N ATOM 942 CA GLN A 60 107.086 14.302 -4.321 1.00 0.00 C ATOM 943 C GLN A 60 107.685 13.898 -2.978 1.00 0.00 C ATOM 944 O GLN A 60 108.794 13.369 -2.918 1.00 0.00 O ATOM 945 CB GLN A 60 106.180 13.161 -4.794 1.00 0.00 C ATOM 946 CG GLN A 60 105.325 13.612 -5.975 1.00 0.00 C ATOM 947 CD GLN A 60 104.306 12.528 -6.318 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.621 11.598 -7.061 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.103 12.573 -5.806 1.00 0.00 N ATOM 0 H GLN A 60 108.965 13.996 -5.204 1.00 0.00 H new ATOM 0 HA GLN A 60 106.496 15.213 -4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.787 12.303 -5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.538 12.836 -3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.812 14.542 -5.730 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.959 13.815 -6.838 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.839 13.342 -5.190 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.429 11.839 -6.023 1.00 0.00 H new ATOM 958 N ASP A 61 106.939 14.136 -1.905 1.00 0.00 N ATOM 959 CA ASP A 61 107.340 13.656 -0.587 1.00 0.00 C ATOM 960 C ASP A 61 106.617 12.348 -0.281 1.00 0.00 C ATOM 961 O ASP A 61 105.388 12.294 -0.318 1.00 0.00 O ATOM 962 CB ASP A 61 106.991 14.696 0.481 1.00 0.00 C ATOM 963 CG ASP A 61 107.738 16.003 0.225 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.831 15.951 -0.317 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.204 17.042 0.576 1.00 0.00 O ATOM 0 H ASP A 61 106.060 14.654 -1.920 1.00 0.00 H new ATOM 0 HA ASP A 61 108.417 13.490 -0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.916 14.879 0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.248 14.312 1.468 1.00 0.00 H new ATOM 970 N ILE A 62 107.371 11.292 0.020 1.00 0.00 N ATOM 971 CA ILE A 62 106.767 9.982 0.274 1.00 0.00 C ATOM 972 C ILE A 62 107.293 9.377 1.574 1.00 0.00 C ATOM 973 O ILE A 62 108.426 9.638 1.976 1.00 0.00 O ATOM 974 CB ILE A 62 107.039 9.046 -0.910 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.325 7.703 -0.691 1.00 0.00 C ATOM 976 CG2 ILE A 62 108.546 8.814 -1.063 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.957 7.051 -2.031 1.00 0.00 C ATOM 0 H ILE A 62 108.388 11.314 0.094 1.00 0.00 H new ATOM 0 HA ILE A 62 105.690 10.111 0.383 1.00 0.00 H new ATOM 0 HB ILE A 62 106.658 9.510 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 62 106.969 7.033 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 62 105.423 7.859 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 62 108.728 8.148 -1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.045 9.767 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 62 108.939 8.362 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 62 105.453 6.102 -1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 62 105.293 7.713 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 62 106.863 6.874 -2.611 1.00 0.00 H new ATOM 989 N SER A 63 106.471 8.549 2.217 1.00 0.00 N ATOM 990 CA SER A 63 106.830 8.011 3.525 1.00 0.00 C ATOM 991 C SER A 63 106.270 6.607 3.741 1.00 0.00 C ATOM 992 O SER A 63 105.390 6.138 3.015 1.00 0.00 O ATOM 993 CB SER A 63 106.310 8.938 4.624 1.00 0.00 C ATOM 994 OG SER A 63 104.891 8.869 4.660 1.00 0.00 O ATOM 0 H SER A 63 105.567 8.241 1.860 1.00 0.00 H new ATOM 0 HA SER A 63 107.917 7.948 3.566 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.725 8.646 5.589 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.632 9.962 4.435 1.00 0.00 H new ATOM 0 HG SER A 63 104.531 9.075 3.772 1.00 0.00 H new ATOM 1000 N GLU A 64 106.791 5.942 4.767 1.00 0.00 N ATOM 1001 CA GLU A 64 106.344 4.601 5.115 1.00 0.00 C ATOM 1002 C GLU A 64 104.835 4.560 5.348 1.00 0.00 C ATOM 1003 O GLU A 64 104.183 3.573 5.015 1.00 0.00 O ATOM 1004 CB GLU A 64 107.072 4.128 6.377 1.00 0.00 C ATOM 1005 CG GLU A 64 106.792 5.096 7.532 1.00 0.00 C ATOM 1006 CD GLU A 64 107.589 4.731 8.789 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.232 3.691 8.810 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.543 5.509 9.728 1.00 0.00 O ATOM 0 H GLU A 64 107.524 6.312 5.372 1.00 0.00 H new ATOM 0 HA GLU A 64 106.577 3.939 4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.742 3.124 6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.144 4.071 6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.044 6.111 7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.727 5.088 7.762 1.00 0.00 H new ATOM 1015 N ALA A 65 104.274 5.637 5.894 1.00 0.00 N ATOM 1016 CA ALA A 65 102.846 5.668 6.193 1.00 0.00 C ATOM 1017 C ALA A 65 102.023 5.451 4.927 1.00 0.00 C ATOM 1018 O ALA A 65 101.032 4.720 4.938 1.00 0.00 O ATOM 1019 CB ALA A 65 102.471 7.014 6.817 1.00 0.00 C ATOM 0 H ALA A 65 104.780 6.489 6.136 1.00 0.00 H new ATOM 0 HA ALA A 65 102.628 4.864 6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.404 7.028 7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.033 7.157 7.740 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.709 7.817 6.119 1.00 0.00 H new ATOM 1025 N ASN A 66 102.438 6.088 3.837 1.00 0.00 N ATOM 1026 CA ASN A 66 101.705 5.985 2.581 1.00 0.00 C ATOM 1027 C ASN A 66 101.763 4.567 2.022 1.00 0.00 C ATOM 1028 O ASN A 66 100.748 4.010 1.605 1.00 0.00 O ATOM 1029 CB ASN A 66 102.304 6.945 1.551 1.00 0.00 C ATOM 1030 CG ASN A 66 102.312 8.369 2.095 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.356 8.867 2.518 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.207 9.060 2.102 1.00 0.00 N ATOM 0 H ASN A 66 103.271 6.676 3.798 1.00 0.00 H new ATOM 0 HA ASN A 66 100.665 6.243 2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.320 6.637 1.305 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.726 6.905 0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.205 10.016 2.458 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.344 8.645 1.751 1.00 0.00 H new ATOM 1039 N LEU A 67 102.960 3.992 2.012 1.00 0.00 N ATOM 1040 CA LEU A 67 103.167 2.682 1.395 1.00 0.00 C ATOM 1041 C LEU A 67 102.775 1.511 2.302 1.00 0.00 C ATOM 1042 O LEU A 67 102.605 0.393 1.815 1.00 0.00 O ATOM 1043 CB LEU A 67 104.636 2.559 0.961 1.00 0.00 C ATOM 1044 CG LEU A 67 104.834 3.089 -0.469 1.00 0.00 C ATOM 1045 CD1 LEU A 67 104.412 4.559 -0.573 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.310 2.967 -0.855 1.00 0.00 C ATOM 0 H LEU A 67 103.798 4.406 2.420 1.00 0.00 H new ATOM 0 HA LEU A 67 102.506 2.621 0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.270 3.116 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.948 1.516 1.013 1.00 0.00 H new ATOM 0 HG LEU A 67 104.214 2.498 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 67 104.562 4.909 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 67 103.359 4.655 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.014 5.160 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.453 3.342 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.917 3.551 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.613 1.921 -0.809 1.00 0.00 H new ATOM 1058 N ALA A 68 102.628 1.747 3.605 1.00 0.00 N ATOM 1059 CA ALA A 68 102.268 0.676 4.533 1.00 0.00 C ATOM 1060 C ALA A 68 103.397 -0.368 4.561 1.00 0.00 C ATOM 1061 O ALA A 68 104.554 -0.003 4.362 1.00 0.00 O ATOM 1062 CB ALA A 68 100.913 0.075 4.119 1.00 0.00 C ATOM 0 H ALA A 68 102.751 2.662 4.039 1.00 0.00 H new ATOM 0 HA ALA A 68 102.154 1.061 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.643 -0.724 4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.148 0.851 4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.987 -0.328 3.109 1.00 0.00 H new ATOM 1068 N TYR A 69 103.093 -1.651 4.776 1.00 0.00 N ATOM 1069 CA TYR A 69 104.137 -2.678 4.846 1.00 0.00 C ATOM 1070 C TYR A 69 105.014 -2.706 3.587 1.00 0.00 C ATOM 1071 O TYR A 69 106.138 -3.206 3.624 1.00 0.00 O ATOM 1072 CB TYR A 69 103.495 -4.052 5.046 1.00 0.00 C ATOM 1073 CG TYR A 69 102.730 -4.174 6.343 1.00 0.00 C ATOM 1074 CD1 TYR A 69 103.411 -4.453 7.533 1.00 0.00 C ATOM 1075 CD2 TYR A 69 101.340 -4.006 6.354 1.00 0.00 C ATOM 1076 CE1 TYR A 69 102.703 -4.565 8.736 1.00 0.00 C ATOM 1077 CE2 TYR A 69 100.631 -4.118 7.557 1.00 0.00 C ATOM 1078 CZ TYR A 69 101.313 -4.398 8.747 1.00 0.00 C ATOM 1079 OH TYR A 69 100.614 -4.508 9.932 1.00 0.00 O ATOM 0 H TYR A 69 102.143 -2.001 4.903 1.00 0.00 H new ATOM 0 HA TYR A 69 104.779 -2.430 5.691 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.820 -4.254 4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 69 104.272 -4.816 5.018 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.483 -4.582 7.524 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.815 -3.790 5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 69 103.229 -4.780 9.655 1.00 0.00 H new ATOM 0 HE2 TYR A 69 99.559 -3.988 7.566 1.00 0.00 H new ATOM 0 HH TYR A 69 99.660 -4.363 9.763 1.00 0.00 H new ATOM 1089 N LEU A 70 104.504 -2.173 2.478 1.00 0.00 N ATOM 1090 CA LEU A 70 105.256 -2.133 1.224 1.00 0.00 C ATOM 1091 C LEU A 70 106.602 -1.417 1.386 1.00 0.00 C ATOM 1092 O LEU A 70 107.556 -1.712 0.665 1.00 0.00 O ATOM 1093 CB LEU A 70 104.424 -1.430 0.149 1.00 0.00 C ATOM 1094 CG LEU A 70 105.133 -1.528 -1.204 1.00 0.00 C ATOM 1095 CD1 LEU A 70 105.100 -2.977 -1.695 1.00 0.00 C ATOM 1096 CD2 LEU A 70 104.418 -0.632 -2.218 1.00 0.00 C ATOM 0 H LEU A 70 103.572 -1.762 2.422 1.00 0.00 H new ATOM 0 HA LEU A 70 105.462 -3.161 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.436 -1.886 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 70 104.276 -0.384 0.417 1.00 0.00 H new ATOM 0 HG LEU A 70 106.168 -1.205 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 70 105.605 -3.046 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 70 105.607 -3.617 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.065 -3.301 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 70 104.921 -0.700 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 70 103.383 -0.957 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 70 104.440 0.401 -1.870 1.00 0.00 H new ATOM 1108 N TRP A 71 106.683 -0.486 2.335 1.00 0.00 N ATOM 1109 CA TRP A 71 107.883 0.320 2.520 1.00 0.00 C ATOM 1110 C TRP A 71 109.108 -0.583 2.731 1.00 0.00 C ATOM 1111 O TRP A 71 109.191 -1.247 3.765 1.00 0.00 O ATOM 1112 CB TRP A 71 107.700 1.197 3.758 1.00 0.00 C ATOM 1113 CG TRP A 71 108.667 2.334 3.837 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.619 2.475 4.786 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.794 3.486 2.953 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.309 3.649 4.554 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.847 4.305 3.431 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.106 3.898 1.800 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.203 5.492 2.783 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.462 5.087 1.146 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.506 5.882 1.635 1.00 0.00 C ATOM 0 H TRP A 71 105.929 -0.273 2.988 1.00 0.00 H new ATOM 0 HA TRP A 71 108.041 0.933 1.633 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.685 1.594 3.764 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.806 0.579 4.649 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.809 1.783 5.593 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.069 3.990 5.142 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.297 3.295 1.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.008 6.102 3.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.927 5.392 0.259 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.773 6.796 1.126 1.00 0.00 H new ATOM 1132 N PRO A 72 110.053 -0.640 1.811 1.00 0.00 N ATOM 1133 CA PRO A 72 111.219 -1.564 1.938 1.00 0.00 C ATOM 1134 C PRO A 72 112.418 -0.962 2.673 1.00 0.00 C ATOM 1135 O PRO A 72 113.354 -1.682 3.019 1.00 0.00 O ATOM 1136 CB PRO A 72 111.577 -1.851 0.482 1.00 0.00 C ATOM 1137 CG PRO A 72 111.268 -0.583 -0.240 1.00 0.00 C ATOM 1138 CD PRO A 72 110.159 0.119 0.548 1.00 0.00 C ATOM 0 HA PRO A 72 110.966 -2.442 2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.628 -2.120 0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 72 110.994 -2.684 0.088 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.154 0.049 -0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 72 110.946 -0.789 -1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.407 1.164 0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.217 0.108 -0.000 1.00 0.00 H new ATOM 1146 N LEU A 73 112.416 0.354 2.875 1.00 0.00 N ATOM 1147 CA LEU A 73 113.575 1.027 3.459 1.00 0.00 C ATOM 1148 C LEU A 73 113.484 1.095 4.980 1.00 0.00 C ATOM 1149 O LEU A 73 112.402 1.235 5.550 1.00 0.00 O ATOM 1150 CB LEU A 73 113.692 2.450 2.912 1.00 0.00 C ATOM 1151 CG LEU A 73 113.747 2.437 1.383 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.793 3.881 0.884 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.001 1.694 0.911 1.00 0.00 C ATOM 0 H LEU A 73 111.635 0.969 2.646 1.00 0.00 H new ATOM 0 HA LEU A 73 114.454 0.443 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.841 3.045 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.589 2.925 3.309 1.00 0.00 H new ATOM 0 HG LEU A 73 112.867 1.930 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.833 3.888 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.901 4.410 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.679 4.376 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.033 1.689 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.888 2.196 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 73 114.976 0.668 1.278 1.00 0.00 H new ATOM 1165 N THR A 74 114.643 0.993 5.624 1.00 0.00 N ATOM 1166 CA THR A 74 114.734 1.143 7.071 1.00 0.00 C ATOM 1167 C THR A 74 114.469 2.590 7.480 1.00 0.00 C ATOM 1168 O THR A 74 113.845 2.836 8.513 1.00 0.00 O ATOM 1169 CB THR A 74 116.124 0.722 7.557 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.102 1.578 6.986 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.401 -0.724 7.143 1.00 0.00 C ATOM 0 H THR A 74 115.534 0.807 5.164 1.00 0.00 H new ATOM 0 HA THR A 74 113.980 0.503 7.529 1.00 0.00 H new ATOM 0 HB THR A 74 116.165 0.796 8.644 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.225 1.349 6.041 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.391 -1.019 7.491 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.651 -1.379 7.586 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.359 -0.806 6.057 1.00 0.00 H new ATOM 1179 N VAL A 75 114.940 3.545 6.673 1.00 0.00 N ATOM 1180 CA VAL A 75 114.640 4.948 6.940 1.00 0.00 C ATOM 1181 C VAL A 75 113.142 5.153 6.772 1.00 0.00 C ATOM 1182 O VAL A 75 112.567 4.739 5.770 1.00 0.00 O ATOM 1183 CB VAL A 75 115.416 5.881 6.004 1.00 0.00 C ATOM 1184 CG1 VAL A 75 116.914 5.755 6.289 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.151 5.519 4.540 1.00 0.00 C ATOM 0 H VAL A 75 115.517 3.376 5.849 1.00 0.00 H new ATOM 0 HA VAL A 75 114.947 5.193 7.957 1.00 0.00 H new ATOM 0 HB VAL A 75 115.085 6.905 6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.468 6.418 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.112 6.032 7.325 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.231 4.726 6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.711 6.193 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.467 4.492 4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.086 5.614 4.329 1.00 0.00 H new ATOM 1195 N ASP A 76 112.509 5.770 7.761 1.00 0.00 N ATOM 1196 CA ASP A 76 111.053 5.800 7.807 1.00 0.00 C ATOM 1197 C ASP A 76 110.455 6.521 6.607 1.00 0.00 C ATOM 1198 O ASP A 76 109.358 6.173 6.169 1.00 0.00 O ATOM 1199 CB ASP A 76 110.578 6.464 9.103 1.00 0.00 C ATOM 1200 CG ASP A 76 110.999 5.638 10.316 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.102 4.428 10.188 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.205 6.229 11.363 1.00 0.00 O ATOM 0 H ASP A 76 112.973 6.250 8.532 1.00 0.00 H new ATOM 0 HA ASP A 76 110.708 4.767 7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 76 110.995 7.468 9.178 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.493 6.570 9.087 1.00 0.00 H new ATOM 1207 N HIS A 77 111.148 7.533 6.092 1.00 0.00 N ATOM 1208 CA HIS A 77 110.629 8.275 4.949 1.00 0.00 C ATOM 1209 C HIS A 77 111.764 8.788 4.078 1.00 0.00 C ATOM 1210 O HIS A 77 112.936 8.590 4.391 1.00 0.00 O ATOM 1211 CB HIS A 77 109.759 9.440 5.425 1.00 0.00 C ATOM 1212 CG HIS A 77 110.446 10.354 6.403 1.00 0.00 C ATOM 1213 ND1 HIS A 77 110.928 9.905 7.622 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.722 11.699 6.363 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.463 10.961 8.260 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.364 12.080 7.538 1.00 0.00 N ATOM 0 H HIS A 77 112.052 7.853 6.440 1.00 0.00 H new ATOM 0 HA HIS A 77 110.017 7.599 4.351 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.443 10.022 4.559 1.00 0.00 H new ATOM 0 HB3 HIS A 77 108.856 9.041 5.888 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.478 12.360 5.545 1.00 0.00 H new ATOM 0 HE1 HIS A 77 111.918 10.910 9.238 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.689 13.013 7.793 1.00 0.00 H new ATOM 1224 N GLY A 78 111.397 9.391 2.955 1.00 0.00 N ATOM 1225 CA GLY A 78 112.367 10.010 2.068 1.00 0.00 C ATOM 1226 C GLY A 78 111.649 10.794 0.976 1.00 0.00 C ATOM 1227 O GLY A 78 110.451 10.618 0.744 1.00 0.00 O ATOM 0 H GLY A 78 110.430 9.464 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.019 10.674 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.002 9.246 1.620 1.00 0.00 H new ATOM 1231 N THR A 79 112.378 11.692 0.332 1.00 0.00 N ATOM 1232 CA THR A 79 111.816 12.485 -0.754 1.00 0.00 C ATOM 1233 C THR A 79 112.386 12.018 -2.088 1.00 0.00 C ATOM 1234 O THR A 79 113.565 11.693 -2.183 1.00 0.00 O ATOM 1235 CB THR A 79 112.144 13.963 -0.543 1.00 0.00 C ATOM 1236 OG1 THR A 79 111.976 14.289 0.830 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.184 14.802 -1.385 1.00 0.00 C ATOM 0 H THR A 79 113.357 11.891 0.540 1.00 0.00 H new ATOM 0 HA THR A 79 110.734 12.356 -0.763 1.00 0.00 H new ATOM 0 HB THR A 79 113.173 14.165 -0.840 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.187 15.236 0.970 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.406 15.860 -1.244 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.302 14.543 -2.437 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.158 14.602 -1.075 1.00 0.00 H new ATOM 1245 N ILE A 80 111.548 11.983 -3.119 1.00 0.00 N ATOM 1246 CA ILE A 80 111.986 11.535 -4.439 1.00 0.00 C ATOM 1247 C ILE A 80 112.033 12.716 -5.401 1.00 0.00 C ATOM 1248 O ILE A 80 111.140 13.564 -5.393 1.00 0.00 O ATOM 1249 CB ILE A 80 111.031 10.458 -4.965 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.600 11.009 -5.018 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.086 9.246 -4.032 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.662 9.969 -5.633 1.00 0.00 C ATOM 0 H ILE A 80 110.567 12.258 -3.068 1.00 0.00 H new ATOM 0 HA ILE A 80 112.987 11.110 -4.359 1.00 0.00 H new ATOM 0 HB ILE A 80 111.331 10.162 -5.970 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.263 11.266 -4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.576 11.926 -5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.409 8.474 -4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.103 8.854 -4.004 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.785 9.546 -3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.648 10.368 -5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 80 108.993 9.733 -6.644 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.675 9.063 -5.027 1.00 0.00 H new ATOM 1264 N GLU A 81 113.085 12.777 -6.214 1.00 0.00 N ATOM 1265 CA GLU A 81 113.256 13.907 -7.120 1.00 0.00 C ATOM 1266 C GLU A 81 113.897 13.491 -8.440 1.00 0.00 C ATOM 1267 O GLU A 81 114.758 12.612 -8.485 1.00 0.00 O ATOM 1268 CB GLU A 81 114.119 14.979 -6.449 1.00 0.00 C ATOM 1269 CG GLU A 81 114.162 16.239 -7.324 1.00 0.00 C ATOM 1270 CD GLU A 81 115.088 17.312 -6.739 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.701 17.077 -5.707 1.00 0.00 O ATOM 1272 OE2 GLU A 81 115.171 18.369 -7.342 1.00 0.00 O ATOM 0 H GLU A 81 113.819 12.071 -6.264 1.00 0.00 H new ATOM 0 HA GLU A 81 112.265 14.304 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 81 113.714 15.222 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 81 115.129 14.600 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 81 114.501 15.974 -8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.155 16.645 -7.425 1.00 0.00 H new ATOM 1279 N CYS A 82 113.445 14.134 -9.512 1.00 0.00 N ATOM 1280 CA CYS A 82 114.055 13.964 -10.826 1.00 0.00 C ATOM 1281 C CYS A 82 114.824 15.227 -11.203 1.00 0.00 C ATOM 1282 O CYS A 82 114.251 16.314 -11.271 1.00 0.00 O ATOM 1283 CB CYS A 82 112.972 13.691 -11.872 1.00 0.00 C ATOM 1284 SG CYS A 82 112.510 11.942 -11.818 1.00 0.00 S ATOM 0 H CYS A 82 112.656 14.780 -9.496 1.00 0.00 H new ATOM 0 HA CYS A 82 114.742 13.118 -10.793 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.099 14.315 -11.679 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.337 13.951 -12.866 1.00 0.00 H new ATOM 1359 N ALA A 88 117.073 9.847 -11.862 1.00 0.00 N ATOM 1360 CA ALA A 88 116.163 9.657 -10.740 1.00 0.00 C ATOM 1361 C ALA A 88 116.942 9.279 -9.486 1.00 0.00 C ATOM 1362 O ALA A 88 117.680 8.291 -9.479 1.00 0.00 O ATOM 1363 CB ALA A 88 115.154 8.554 -11.064 1.00 0.00 C ATOM 0 HA ALA A 88 115.632 10.592 -10.563 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.478 8.419 -10.219 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.580 8.834 -11.947 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.684 7.621 -11.257 1.00 0.00 H new ATOM 1369 N VAL A 89 116.763 10.055 -8.419 1.00 0.00 N ATOM 1370 CA VAL A 89 117.456 9.784 -7.162 1.00 0.00 C ATOM 1371 C VAL A 89 116.504 9.864 -5.971 1.00 0.00 C ATOM 1372 O VAL A 89 115.457 10.513 -6.027 1.00 0.00 O ATOM 1373 CB VAL A 89 118.597 10.784 -6.959 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.628 10.622 -8.076 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.040 12.210 -6.982 1.00 0.00 C ATOM 0 H VAL A 89 116.149 10.870 -8.399 1.00 0.00 H new ATOM 0 HA VAL A 89 117.856 8.772 -7.221 1.00 0.00 H new ATOM 0 HB VAL A 89 119.073 10.595 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.439 11.335 -7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.028 9.608 -8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.153 10.807 -9.039 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.854 12.921 -6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.561 12.398 -7.943 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.309 12.328 -6.182 1.00 0.00 H new ATOM 1385 N PHE A 90 116.905 9.204 -4.890 1.00 0.00 N ATOM 1386 CA PHE A 90 116.142 9.174 -3.647 1.00 0.00 C ATOM 1387 C PHE A 90 116.914 9.892 -2.542 1.00 0.00 C ATOM 1388 O PHE A 90 118.076 9.587 -2.295 1.00 0.00 O ATOM 1389 CB PHE A 90 115.917 7.712 -3.253 1.00 0.00 C ATOM 1390 CG PHE A 90 115.207 7.508 -1.935 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.820 7.683 -1.843 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.940 7.124 -0.805 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.168 7.473 -0.621 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.288 6.915 0.416 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.902 7.087 0.506 1.00 0.00 C ATOM 0 H PHE A 90 117.774 8.671 -4.851 1.00 0.00 H new ATOM 0 HA PHE A 90 115.186 9.678 -3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.340 7.224 -4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.884 7.210 -3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.254 7.980 -2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.009 6.989 -0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.099 7.609 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.854 6.621 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.398 6.922 1.447 1.00 0.00 H new ATOM 1405 N VAL A 91 116.269 10.844 -1.880 1.00 0.00 N ATOM 1406 CA VAL A 91 116.905 11.584 -0.792 1.00 0.00 C ATOM 1407 C VAL A 91 116.315 11.131 0.537 1.00 0.00 C ATOM 1408 O VAL A 91 115.098 11.089 0.693 1.00 0.00 O ATOM 1409 CB VAL A 91 116.665 13.090 -0.976 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.351 13.904 0.132 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.216 13.532 -2.335 1.00 0.00 C ATOM 0 H VAL A 91 115.308 11.123 -2.075 1.00 0.00 H new ATOM 0 HA VAL A 91 117.978 11.390 -0.801 1.00 0.00 H new ATOM 0 HB VAL A 91 115.591 13.271 -0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.162 14.966 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 91 116.953 13.606 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.425 13.719 0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.046 14.601 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.286 13.327 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.709 12.984 -3.129 1.00 0.00 H new ATOM 1421 N ALA A 92 117.177 10.816 1.498 1.00 0.00 N ATOM 1422 CA ALA A 92 116.704 10.394 2.817 1.00 0.00 C ATOM 1423 C ALA A 92 116.781 11.551 3.816 1.00 0.00 C ATOM 1424 O ALA A 92 117.580 12.465 3.626 1.00 0.00 O ATOM 1425 CB ALA A 92 117.550 9.223 3.322 1.00 0.00 C ATOM 0 H ALA A 92 118.191 10.843 1.395 1.00 0.00 H new ATOM 0 HA ALA A 92 115.664 10.081 2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.193 8.913 4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.468 8.388 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.593 9.532 3.396 1.00 0.00 H new ATOM 1431 N PRO A 93 115.984 11.547 4.866 1.00 0.00 N ATOM 1432 CA PRO A 93 116.023 12.643 5.884 1.00 0.00 C ATOM 1433 C PRO A 93 117.437 12.973 6.356 1.00 0.00 C ATOM 1434 O PRO A 93 117.711 14.098 6.776 1.00 0.00 O ATOM 1435 CB PRO A 93 115.186 12.112 7.051 1.00 0.00 C ATOM 1436 CG PRO A 93 114.268 11.097 6.463 1.00 0.00 C ATOM 1437 CD PRO A 93 114.945 10.551 5.207 1.00 0.00 C ATOM 0 HA PRO A 93 115.642 13.573 5.463 1.00 0.00 H new ATOM 0 HB2 PRO A 93 115.821 11.668 7.817 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.626 12.916 7.528 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.074 10.295 7.175 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.305 11.545 6.217 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.384 9.570 5.390 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.230 10.433 4.393 1.00 0.00 H new ATOM 1445 N ASP A 94 118.330 11.994 6.286 1.00 0.00 N ATOM 1446 CA ASP A 94 119.702 12.191 6.752 1.00 0.00 C ATOM 1447 C ASP A 94 120.467 13.240 5.928 1.00 0.00 C ATOM 1448 O ASP A 94 121.548 13.669 6.331 1.00 0.00 O ATOM 1449 CB ASP A 94 120.448 10.848 6.721 1.00 0.00 C ATOM 1450 CG ASP A 94 120.382 10.186 5.340 1.00 0.00 C ATOM 1451 OD1 ASP A 94 119.968 10.835 4.394 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.758 9.028 5.243 1.00 0.00 O ATOM 0 H ASP A 94 118.135 11.064 5.916 1.00 0.00 H new ATOM 0 HA ASP A 94 119.650 12.572 7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.490 11.006 6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.019 10.177 7.465 1.00 0.00 H new ATOM 1457 N GLY A 95 119.920 13.655 4.784 1.00 0.00 N ATOM 1458 CA GLY A 95 120.604 14.612 3.910 1.00 0.00 C ATOM 1459 C GLY A 95 121.514 13.932 2.874 1.00 0.00 C ATOM 1460 O GLY A 95 122.280 14.606 2.185 1.00 0.00 O ATOM 0 H GLY A 95 119.010 13.346 4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 95 119.861 15.218 3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.200 15.291 4.519 1.00 0.00 H new ATOM 1464 N THR A 96 121.431 12.607 2.762 1.00 0.00 N ATOM 1465 CA THR A 96 122.244 11.852 1.824 1.00 0.00 C ATOM 1466 C THR A 96 121.421 11.537 0.585 1.00 0.00 C ATOM 1467 O THR A 96 120.233 11.229 0.688 1.00 0.00 O ATOM 1468 CB THR A 96 122.693 10.544 2.481 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.379 10.836 3.690 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.620 9.771 1.539 1.00 0.00 C ATOM 0 H THR A 96 120.799 12.033 3.319 1.00 0.00 H new ATOM 0 HA THR A 96 123.118 12.439 1.543 1.00 0.00 H new ATOM 0 HB THR A 96 121.816 9.932 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.666 10.000 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 96 123.933 8.843 2.017 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.090 9.542 0.614 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.498 10.377 1.314 1.00 0.00 H new ATOM 1478 N THR A 97 122.050 11.614 -0.581 1.00 0.00 N ATOM 1479 CA THR A 97 121.362 11.293 -1.825 1.00 0.00 C ATOM 1480 C THR A 97 121.816 9.932 -2.339 1.00 0.00 C ATOM 1481 O THR A 97 123.011 9.647 -2.422 1.00 0.00 O ATOM 1482 CB THR A 97 121.656 12.365 -2.877 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.327 13.643 -2.351 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.820 12.097 -4.130 1.00 0.00 C ATOM 0 H THR A 97 123.025 11.893 -0.691 1.00 0.00 H new ATOM 0 HA THR A 97 120.289 11.262 -1.634 1.00 0.00 H new ATOM 0 HB THR A 97 122.714 12.339 -3.137 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.516 14.332 -3.022 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.030 12.861 -4.878 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.072 11.116 -4.533 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.761 12.123 -3.873 1.00 0.00 H new ATOM 1492 N TYR A 98 120.842 9.101 -2.680 1.00 0.00 N ATOM 1493 CA TYR A 98 121.103 7.772 -3.213 1.00 0.00 C ATOM 1494 C TYR A 98 120.573 7.697 -4.642 1.00 0.00 C ATOM 1495 O TYR A 98 119.582 8.344 -4.967 1.00 0.00 O ATOM 1496 CB TYR A 98 120.393 6.721 -2.355 1.00 0.00 C ATOM 1497 CG TYR A 98 120.783 6.735 -0.892 1.00 0.00 C ATOM 1498 CD1 TYR A 98 120.071 7.529 0.016 1.00 0.00 C ATOM 1499 CD2 TYR A 98 121.850 5.948 -0.440 1.00 0.00 C ATOM 1500 CE1 TYR A 98 120.424 7.538 1.372 1.00 0.00 C ATOM 1501 CE2 TYR A 98 122.202 5.956 0.916 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.489 6.751 1.823 1.00 0.00 C ATOM 1503 OH TYR A 98 121.839 6.757 3.160 1.00 0.00 O ATOM 0 H TYR A 98 119.851 9.328 -2.595 1.00 0.00 H new ATOM 0 HA TYR A 98 122.176 7.580 -3.202 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.317 6.875 -2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.604 5.733 -2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 98 119.248 8.136 -0.330 1.00 0.00 H new ATOM 0 HD2 TYR A 98 122.402 5.335 -1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 98 119.874 8.153 2.069 1.00 0.00 H new ATOM 0 HE2 TYR A 98 123.025 5.348 1.263 1.00 0.00 H new ATOM 0 HH TYR A 98 121.412 7.518 3.607 1.00 0.00 H new ATOM 1513 N ALA A 99 121.224 6.912 -5.489 1.00 0.00 N ATOM 1514 CA ALA A 99 120.806 6.791 -6.881 1.00 0.00 C ATOM 1515 C ALA A 99 119.748 5.701 -7.031 1.00 0.00 C ATOM 1516 O ALA A 99 119.942 4.570 -6.585 1.00 0.00 O ATOM 1517 CB ALA A 99 122.023 6.467 -7.754 1.00 0.00 C ATOM 0 H ALA A 99 122.039 6.352 -5.240 1.00 0.00 H new ATOM 0 HA ALA A 99 120.371 7.737 -7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.711 6.377 -8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.758 7.266 -7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.467 5.527 -7.425 1.00 0.00 H new ATOM 1523 N LEU A 100 118.628 6.048 -7.662 1.00 0.00 N ATOM 1524 CA LEU A 100 117.556 5.085 -7.874 1.00 0.00 C ATOM 1525 C LEU A 100 117.791 4.301 -9.157 1.00 0.00 C ATOM 1526 O LEU A 100 117.766 3.070 -9.159 1.00 0.00 O ATOM 1527 CB LEU A 100 116.207 5.799 -7.981 1.00 0.00 C ATOM 1528 CG LEU A 100 115.737 6.257 -6.602 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.687 7.355 -6.777 1.00 0.00 C ATOM 1530 CD2 LEU A 100 115.109 5.072 -5.866 1.00 0.00 C ATOM 0 H LEU A 100 118.442 6.980 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 100 117.546 4.405 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.295 6.658 -8.646 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.468 5.129 -8.421 1.00 0.00 H new ATOM 0 HG LEU A 100 116.582 6.638 -6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.344 7.690 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.126 8.196 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.842 6.963 -7.343 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.772 5.393 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.259 4.698 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.849 4.279 -5.756 1.00 0.00 H new ATOM 1542 N ASN A 101 118.021 5.026 -10.250 1.00 0.00 N ATOM 1543 CA ASN A 101 118.151 4.388 -11.563 1.00 0.00 C ATOM 1544 C ASN A 101 119.609 4.296 -12.015 1.00 0.00 C ATOM 1545 O ASN A 101 120.503 4.921 -11.443 1.00 0.00 O ATOM 1546 CB ASN A 101 117.300 5.133 -12.601 1.00 0.00 C ATOM 1547 CG ASN A 101 117.871 6.512 -12.921 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.897 6.911 -12.374 1.00 0.00 O ATOM 1549 ND2 ASN A 101 117.260 7.269 -13.790 1.00 0.00 N ATOM 0 H ASN A 101 118.120 6.041 -10.257 1.00 0.00 H new ATOM 0 HA ASN A 101 117.782 3.366 -11.473 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.243 4.542 -13.515 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.282 5.240 -12.227 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.634 8.191 -14.015 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.409 6.939 -14.244 1.00 0.00 H new ATOM 1556 N ASP A 102 119.835 3.508 -13.061 1.00 0.00 N ATOM 1557 CA ASP A 102 121.189 3.198 -13.506 1.00 0.00 C ATOM 1558 C ASP A 102 121.995 4.457 -13.813 1.00 0.00 C ATOM 1559 O ASP A 102 123.179 4.529 -13.489 1.00 0.00 O ATOM 1560 CB ASP A 102 121.133 2.315 -14.756 1.00 0.00 C ATOM 1561 CG ASP A 102 120.508 0.960 -14.429 1.00 0.00 C ATOM 1562 OD1 ASP A 102 120.656 0.509 -13.304 1.00 0.00 O ATOM 1563 OD2 ASP A 102 119.889 0.391 -15.313 1.00 0.00 O ATOM 0 H ASP A 102 119.098 3.073 -13.616 1.00 0.00 H new ATOM 0 HA ASP A 102 121.688 2.671 -12.692 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.552 2.812 -15.533 1.00 0.00 H new ATOM 0 HB3 ASP A 102 122.138 2.172 -15.152 1.00 0.00 H new ATOM 1568 N ARG A 103 121.362 5.448 -14.433 1.00 0.00 N ATOM 1569 CA ARG A 103 122.079 6.654 -14.838 1.00 0.00 C ATOM 1570 C ARG A 103 122.629 7.403 -13.626 1.00 0.00 C ATOM 1571 O ARG A 103 123.774 7.857 -13.635 1.00 0.00 O ATOM 1572 CB ARG A 103 121.159 7.547 -15.670 1.00 0.00 C ATOM 1573 CG ARG A 103 120.868 6.842 -16.997 1.00 0.00 C ATOM 1574 CD ARG A 103 120.033 7.746 -17.904 1.00 0.00 C ATOM 1575 NE ARG A 103 118.773 8.095 -17.246 1.00 0.00 N ATOM 1576 CZ ARG A 103 117.761 7.231 -17.080 1.00 0.00 C ATOM 1577 NH1 ARG A 103 117.823 5.988 -17.492 1.00 0.00 N ATOM 1578 NH2 ARG A 103 116.681 7.652 -16.485 1.00 0.00 N ATOM 0 H ARG A 103 120.368 5.442 -14.664 1.00 0.00 H new ATOM 0 HA ARG A 103 122.932 6.364 -15.451 1.00 0.00 H new ATOM 0 HB2 ARG A 103 120.231 7.740 -15.132 1.00 0.00 H new ATOM 0 HB3 ARG A 103 121.630 8.513 -15.850 1.00 0.00 H new ATOM 0 HG2 ARG A 103 121.804 6.583 -17.492 1.00 0.00 H new ATOM 0 HG3 ARG A 103 120.336 5.909 -16.812 1.00 0.00 H new ATOM 0 HD2 ARG A 103 120.591 8.652 -18.141 1.00 0.00 H new ATOM 0 HD3 ARG A 103 119.831 7.240 -18.848 1.00 0.00 H new ATOM 0 HE ARG A 103 118.659 9.046 -16.895 1.00 0.00 H new ATOM 0 HH11 ARG A 103 118.664 5.647 -17.958 1.00 0.00 H new ATOM 0 HH12 ARG A 103 117.031 5.362 -17.346 1.00 0.00 H new ATOM 0 HH21 ARG A 103 116.621 8.617 -16.159 1.00 0.00 H new ATOM 0 HH22 ARG A 103 115.895 7.017 -16.345 1.00 0.00 H new ATOM 1592 N ALA A 104 121.832 7.500 -12.567 1.00 0.00 N ATOM 1593 CA ALA A 104 122.294 8.133 -11.334 1.00 0.00 C ATOM 1594 C ALA A 104 123.507 7.395 -10.762 1.00 0.00 C ATOM 1595 O ALA A 104 124.415 8.014 -10.200 1.00 0.00 O ATOM 1596 CB ALA A 104 121.161 8.152 -10.306 1.00 0.00 C ATOM 0 H ALA A 104 120.873 7.153 -12.535 1.00 0.00 H new ATOM 0 HA ALA A 104 122.593 9.156 -11.562 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.510 8.625 -9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.317 8.714 -10.705 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.848 7.130 -10.091 1.00 0.00 H new ATOM 1602 N GLU A 105 123.512 6.068 -10.880 1.00 0.00 N ATOM 1603 CA GLU A 105 124.668 5.284 -10.451 1.00 0.00 C ATOM 1604 C GLU A 105 125.897 5.656 -11.279 1.00 0.00 C ATOM 1605 O GLU A 105 126.993 5.814 -10.745 1.00 0.00 O ATOM 1606 CB GLU A 105 124.384 3.788 -10.600 1.00 0.00 C ATOM 1607 CG GLU A 105 123.221 3.388 -9.685 1.00 0.00 C ATOM 1608 CD GLU A 105 123.560 3.619 -8.210 1.00 0.00 C ATOM 1609 OE1 GLU A 105 124.730 3.759 -7.885 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.633 3.649 -7.418 1.00 0.00 O ATOM 0 H GLU A 105 122.741 5.520 -11.263 1.00 0.00 H new ATOM 0 HA GLU A 105 124.862 5.506 -9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 105 124.140 3.556 -11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.274 3.212 -10.346 1.00 0.00 H new ATOM 0 HG2 GLU A 105 122.334 3.964 -9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 105 122.978 2.337 -9.843 1.00 0.00 H new ATOM 1617 N LYS A 106 125.702 5.836 -12.581 1.00 0.00 N ATOM 1618 CA LYS A 106 126.790 6.264 -13.461 1.00 0.00 C ATOM 1619 C LYS A 106 127.374 7.607 -13.015 1.00 0.00 C ATOM 1620 O LYS A 106 128.572 7.850 -13.157 1.00 0.00 O ATOM 1621 CB LYS A 106 126.279 6.381 -14.898 1.00 0.00 C ATOM 1622 CG LYS A 106 127.467 6.498 -15.856 1.00 0.00 C ATOM 1623 CD LYS A 106 126.990 7.046 -17.203 1.00 0.00 C ATOM 1624 CE LYS A 106 126.179 5.976 -17.937 1.00 0.00 C ATOM 1625 NZ LYS A 106 127.106 4.984 -18.550 1.00 0.00 N ATOM 0 H LYS A 106 124.808 5.694 -13.051 1.00 0.00 H new ATOM 0 HA LYS A 106 127.579 5.514 -13.408 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.677 5.509 -15.153 1.00 0.00 H new ATOM 0 HB3 LYS A 106 125.633 7.253 -14.995 1.00 0.00 H new ATOM 0 HG2 LYS A 106 128.225 7.157 -15.432 1.00 0.00 H new ATOM 0 HG3 LYS A 106 127.933 5.522 -15.994 1.00 0.00 H new ATOM 0 HD2 LYS A 106 126.380 7.936 -17.049 1.00 0.00 H new ATOM 0 HD3 LYS A 106 127.846 7.346 -17.808 1.00 0.00 H new ATOM 0 HE2 LYS A 106 125.503 5.477 -17.243 1.00 0.00 H new ATOM 0 HE3 LYS A 106 125.561 6.437 -18.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 126.573 4.357 -19.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 127.840 5.483 -19.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 127.553 4.418 -17.801 1.00 0.00 H new ATOM 1639 N ALA A 107 126.519 8.475 -12.478 1.00 0.00 N ATOM 1640 CA ALA A 107 126.950 9.779 -11.970 1.00 0.00 C ATOM 1641 C ALA A 107 127.743 9.683 -10.657 1.00 0.00 C ATOM 1642 O ALA A 107 128.143 10.708 -10.104 1.00 0.00 O ATOM 1643 CB ALA A 107 125.727 10.671 -11.752 1.00 0.00 C ATOM 0 H ALA A 107 125.519 8.299 -12.383 1.00 0.00 H new ATOM 0 HA ALA A 107 127.617 10.205 -12.720 1.00 0.00 H new ATOM 0 HB1 ALA A 107 126.047 11.642 -11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 107 125.201 10.805 -12.697 1.00 0.00 H new ATOM 0 HB3 ALA A 107 125.059 10.202 -11.029 1.00 0.00 H new ATOM 1649 N GLY A 108 127.972 8.470 -10.155 1.00 0.00 N ATOM 1650 CA GLY A 108 128.763 8.278 -8.945 1.00 0.00 C ATOM 1651 C GLY A 108 127.983 8.562 -7.663 1.00 0.00 C ATOM 1652 O GLY A 108 128.584 8.867 -6.632 1.00 0.00 O ATOM 0 H GLY A 108 127.620 7.607 -10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 108 129.131 7.252 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.636 8.929 -8.983 1.00 0.00 H new ATOM 1656 N HIS A 109 126.654 8.468 -7.718 1.00 0.00 N ATOM 1657 CA HIS A 109 125.853 8.559 -6.502 1.00 0.00 C ATOM 1658 C HIS A 109 125.776 7.179 -5.842 1.00 0.00 C ATOM 1659 O HIS A 109 125.698 6.177 -6.556 1.00 0.00 O ATOM 1660 CB HIS A 109 124.444 9.052 -6.836 1.00 0.00 C ATOM 1661 CG HIS A 109 124.350 10.547 -6.976 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.251 11.388 -5.879 1.00 0.00 N ATOM 1663 CD2 HIS A 109 124.337 11.367 -8.079 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.184 12.650 -6.340 1.00 0.00 C ATOM 1665 NE2 HIS A 109 124.232 12.695 -7.673 1.00 0.00 N ATOM 0 H HIS A 109 126.119 8.331 -8.576 1.00 0.00 H new ATOM 0 HA HIS A 109 126.319 9.267 -5.817 1.00 0.00 H new ATOM 0 HB2 HIS A 109 124.115 8.586 -7.765 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.758 8.724 -6.055 1.00 0.00 H new ATOM 0 HD2 HIS A 109 124.399 11.033 -9.104 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.101 13.522 -5.708 1.00 0.00 H new ATOM 0 HE2 HIS A 109 124.199 13.524 -8.267 1.00 0.00 H new ATOM 1673 N PRO A 110 125.792 7.082 -4.527 1.00 0.00 N ATOM 1674 CA PRO A 110 125.771 5.750 -3.847 1.00 0.00 C ATOM 1675 C PRO A 110 124.392 5.091 -3.948 1.00 0.00 C ATOM 1676 O PRO A 110 123.392 5.803 -4.007 1.00 0.00 O ATOM 1677 CB PRO A 110 126.118 6.069 -2.392 1.00 0.00 C ATOM 1678 CG PRO A 110 125.672 7.475 -2.183 1.00 0.00 C ATOM 1679 CD PRO A 110 125.793 8.178 -3.536 1.00 0.00 C ATOM 0 HA PRO A 110 126.467 5.044 -4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.610 5.389 -1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.188 5.964 -2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 110 124.644 7.506 -1.821 1.00 0.00 H new ATOM 0 HG3 PRO A 110 126.289 7.970 -1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 110 124.962 8.863 -3.702 1.00 0.00 H new ATOM 0 HD3 PRO A 110 126.709 8.766 -3.597 1.00 0.00 H new ATOM 1687 N PRO A 111 124.298 3.777 -3.989 1.00 0.00 N ATOM 1688 CA PRO A 111 122.973 3.094 -4.100 1.00 0.00 C ATOM 1689 C PRO A 111 122.220 3.048 -2.771 1.00 0.00 C ATOM 1690 O PRO A 111 122.827 3.098 -1.701 1.00 0.00 O ATOM 1691 CB PRO A 111 123.323 1.687 -4.587 1.00 0.00 C ATOM 1692 CG PRO A 111 124.716 1.432 -4.119 1.00 0.00 C ATOM 1693 CD PRO A 111 125.397 2.791 -3.946 1.00 0.00 C ATOM 0 HA PRO A 111 122.302 3.626 -4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.632 0.949 -4.180 1.00 0.00 H new ATOM 0 HB3 PRO A 111 123.257 1.621 -5.673 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.710 0.883 -3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 111 125.257 0.821 -4.841 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.938 2.844 -3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 111 126.122 2.973 -4.739 1.00 0.00 H new ATOM 1701 N ILE A 112 120.893 2.952 -2.847 1.00 0.00 N ATOM 1702 CA ILE A 112 120.063 2.891 -1.642 1.00 0.00 C ATOM 1703 C ILE A 112 120.380 1.656 -0.782 1.00 0.00 C ATOM 1704 O ILE A 112 120.012 1.636 0.390 1.00 0.00 O ATOM 1705 CB ILE A 112 118.568 2.926 -2.026 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.272 4.249 -2.742 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.676 2.836 -0.776 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.838 4.264 -3.281 1.00 0.00 C ATOM 0 H ILE A 112 120.372 2.915 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 112 120.295 3.766 -1.035 1.00 0.00 H new ATOM 0 HB ILE A 112 118.355 2.075 -2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.415 5.081 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.976 4.390 -3.562 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.628 2.863 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.880 1.903 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.887 3.678 -0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.649 5.212 -3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.706 3.444 -3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.137 4.147 -2.454 1.00 0.00 H new ATOM 1720 N THR A 113 121.092 0.663 -1.323 1.00 0.00 N ATOM 1721 CA THR A 113 121.277 -0.613 -0.629 1.00 0.00 C ATOM 1722 C THR A 113 121.615 -0.511 0.871 1.00 0.00 C ATOM 1723 O THR A 113 121.063 -1.310 1.630 1.00 0.00 O ATOM 1724 CB THR A 113 122.270 -1.521 -1.381 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.036 -2.868 -0.999 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.737 -1.178 -1.096 1.00 0.00 C ATOM 0 H THR A 113 121.547 0.718 -2.234 1.00 0.00 H new ATOM 0 HA THR A 113 120.292 -1.079 -0.644 1.00 0.00 H new ATOM 0 HB THR A 113 122.103 -1.367 -2.447 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.661 -3.456 -1.472 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.384 -1.854 -1.656 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.936 -0.150 -1.400 1.00 0.00 H new ATOM 0 HG23 THR A 113 123.935 -1.286 -0.030 1.00 0.00 H new ATOM 1734 N PRO A 114 122.429 0.420 1.353 1.00 0.00 N ATOM 1735 CA PRO A 114 122.801 0.436 2.808 1.00 0.00 C ATOM 1736 C PRO A 114 121.581 0.571 3.719 1.00 0.00 C ATOM 1737 O PRO A 114 121.573 0.056 4.837 1.00 0.00 O ATOM 1738 CB PRO A 114 123.742 1.636 2.964 1.00 0.00 C ATOM 1739 CG PRO A 114 124.212 1.945 1.586 1.00 0.00 C ATOM 1740 CD PRO A 114 123.054 1.570 0.669 1.00 0.00 C ATOM 0 HA PRO A 114 123.272 -0.502 3.103 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.224 2.488 3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.578 1.398 3.621 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.467 3.000 1.485 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.108 1.376 1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.353 2.396 0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.403 1.302 -0.328 1.00 0.00 H new ATOM 1748 N ILE A 115 120.553 1.266 3.238 1.00 0.00 N ATOM 1749 CA ILE A 115 119.318 1.447 4.011 1.00 0.00 C ATOM 1750 C ILE A 115 118.202 0.474 3.606 1.00 0.00 C ATOM 1751 O ILE A 115 117.081 0.607 4.088 1.00 0.00 O ATOM 1752 CB ILE A 115 118.789 2.888 3.898 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.767 3.361 2.435 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.662 3.822 4.741 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.977 4.670 2.310 1.00 0.00 C ATOM 0 H ILE A 115 120.546 1.713 2.321 1.00 0.00 H new ATOM 0 HA ILE A 115 119.592 1.233 5.044 1.00 0.00 H new ATOM 0 HB ILE A 115 117.765 2.909 4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.786 3.508 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.316 2.595 1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.287 4.842 4.660 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.632 3.506 5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.690 3.784 4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.970 4.993 1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.953 4.511 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.446 5.438 2.925 1.00 0.00 H new ATOM 1767 N ARG A 116 118.489 -0.495 2.738 1.00 0.00 N ATOM 1768 CA ARG A 116 117.479 -1.464 2.320 1.00 0.00 C ATOM 1769 C ARG A 116 117.277 -2.525 3.397 1.00 0.00 C ATOM 1770 O ARG A 116 118.233 -2.953 4.044 1.00 0.00 O ATOM 1771 CB ARG A 116 117.920 -2.138 1.019 1.00 0.00 C ATOM 1772 CG ARG A 116 116.797 -3.038 0.500 1.00 0.00 C ATOM 1773 CD ARG A 116 117.283 -3.803 -0.732 1.00 0.00 C ATOM 1774 NE ARG A 116 117.662 -2.870 -1.797 1.00 0.00 N ATOM 1775 CZ ARG A 116 118.561 -3.161 -2.750 1.00 0.00 C ATOM 1776 NH1 ARG A 116 119.177 -4.318 -2.802 1.00 0.00 N ATOM 1777 NH2 ARG A 116 118.832 -2.263 -3.657 1.00 0.00 N ATOM 0 H ARG A 116 119.407 -0.629 2.313 1.00 0.00 H new ATOM 0 HA ARG A 116 116.537 -0.938 2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.169 -1.383 0.273 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.821 -2.726 1.190 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.489 -3.737 1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 116 115.923 -2.438 0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 116 118.136 -4.428 -0.467 1.00 0.00 H new ATOM 0 HD3 ARG A 116 116.497 -4.470 -1.087 1.00 0.00 H new ATOM 0 HE ARG A 116 117.219 -1.951 -1.815 1.00 0.00 H new ATOM 0 HH11 ARG A 116 118.979 -5.033 -2.102 1.00 0.00 H new ATOM 0 HH12 ARG A 116 119.854 -4.502 -3.542 1.00 0.00 H new ATOM 0 HH21 ARG A 116 118.363 -1.357 -3.634 1.00 0.00 H new ATOM 0 HH22 ARG A 116 119.513 -2.467 -4.389 1.00 0.00 H new ATOM 1791 N ALA A 117 116.031 -2.946 3.588 1.00 0.00 N ATOM 1792 CA ALA A 117 115.720 -3.956 4.592 1.00 0.00 C ATOM 1793 C ALA A 117 115.903 -5.362 4.032 1.00 0.00 C ATOM 1794 O ALA A 117 115.507 -5.649 2.902 1.00 0.00 O ATOM 1795 CB ALA A 117 114.273 -3.791 5.055 1.00 0.00 C ATOM 0 H ALA A 117 115.225 -2.606 3.064 1.00 0.00 H new ATOM 0 HA ALA A 117 116.403 -3.821 5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 117 114.043 -4.547 5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.140 -2.799 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.603 -3.909 4.204 1.00 0.00 H new ATOM 1883 N ILE A 125 114.494 -6.942 0.181 1.00 0.00 N ATOM 1884 CA ILE A 125 113.208 -6.467 -0.312 1.00 0.00 C ATOM 1885 C ILE A 125 113.419 -5.496 -1.474 1.00 0.00 C ATOM 1886 O ILE A 125 114.207 -4.555 -1.379 1.00 0.00 O ATOM 1887 CB ILE A 125 112.444 -5.808 0.847 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.182 -6.856 1.936 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.099 -5.254 0.367 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.895 -6.170 3.275 1.00 0.00 C ATOM 0 HA ILE A 125 112.616 -7.301 -0.688 1.00 0.00 H new ATOM 0 HB ILE A 125 113.047 -4.988 1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.336 -7.482 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.046 -7.513 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.576 -4.792 1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.269 -4.509 -0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.494 -6.066 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.711 -6.926 4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.753 -5.563 3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 125 111.017 -5.532 3.176 1.00 0.00 H new ATOM 1902 N SER A 126 112.700 -5.738 -2.566 1.00 0.00 N ATOM 1903 CA SER A 126 112.876 -4.964 -3.791 1.00 0.00 C ATOM 1904 C SER A 126 112.494 -3.502 -3.602 1.00 0.00 C ATOM 1905 O SER A 126 111.523 -3.177 -2.919 1.00 0.00 O ATOM 1906 CB SER A 126 112.020 -5.566 -4.905 1.00 0.00 C ATOM 1907 OG SER A 126 112.412 -6.916 -5.118 1.00 0.00 O ATOM 0 H SER A 126 111.988 -6.466 -2.628 1.00 0.00 H new ATOM 0 HA SER A 126 113.932 -5.005 -4.057 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.965 -5.519 -4.635 1.00 0.00 H new ATOM 0 HB3 SER A 126 112.140 -4.991 -5.823 1.00 0.00 H new ATOM 0 HG SER A 126 111.865 -7.307 -5.831 1.00 0.00 H new ATOM 1913 N LEU A 127 113.280 -2.628 -4.222 1.00 0.00 N ATOM 1914 CA LEU A 127 112.939 -1.206 -4.294 1.00 0.00 C ATOM 1915 C LEU A 127 112.159 -0.862 -5.575 1.00 0.00 C ATOM 1916 O LEU A 127 111.958 0.314 -5.877 1.00 0.00 O ATOM 1917 CB LEU A 127 114.217 -0.359 -4.259 1.00 0.00 C ATOM 1918 CG LEU A 127 115.058 -0.697 -3.024 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.348 0.126 -3.052 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.277 -0.356 -1.753 1.00 0.00 C ATOM 0 H LEU A 127 114.156 -2.876 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 127 112.307 -0.985 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.801 -0.536 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.957 0.700 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 127 115.293 -1.761 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.950 -0.111 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.912 -0.112 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.102 1.188 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.881 -0.599 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 127 114.040 0.708 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.353 -0.934 -1.728 1.00 0.00 H new ATOM 1932 N GLY A 128 111.722 -1.870 -6.335 1.00 0.00 N ATOM 1933 CA GLY A 128 111.075 -1.633 -7.624 1.00 0.00 C ATOM 1934 C GLY A 128 109.971 -0.581 -7.543 1.00 0.00 C ATOM 1935 O GLY A 128 109.892 0.304 -8.395 1.00 0.00 O ATOM 0 H GLY A 128 111.805 -2.854 -6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.824 -1.313 -8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.654 -2.568 -7.992 1.00 0.00 H new ATOM 1939 N ALA A 129 109.135 -0.659 -6.511 1.00 0.00 N ATOM 1940 CA ALA A 129 108.015 0.269 -6.385 1.00 0.00 C ATOM 1941 C ALA A 129 108.511 1.710 -6.313 1.00 0.00 C ATOM 1942 O ALA A 129 108.022 2.587 -7.028 1.00 0.00 O ATOM 1943 CB ALA A 129 107.206 -0.058 -5.129 1.00 0.00 C ATOM 0 H ALA A 129 109.209 -1.345 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 129 107.381 0.162 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.372 0.639 -5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.823 -1.076 -5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.846 0.030 -4.251 1.00 0.00 H new ATOM 1949 N LEU A 130 109.509 1.945 -5.469 1.00 0.00 N ATOM 1950 CA LEU A 130 110.046 3.289 -5.299 1.00 0.00 C ATOM 1951 C LEU A 130 110.578 3.824 -6.625 1.00 0.00 C ATOM 1952 O LEU A 130 110.344 4.979 -6.983 1.00 0.00 O ATOM 1953 CB LEU A 130 111.168 3.258 -4.259 1.00 0.00 C ATOM 1954 CG LEU A 130 111.665 4.678 -3.985 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.583 5.465 -3.243 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.928 4.613 -3.124 1.00 0.00 C ATOM 0 H LEU A 130 109.959 1.230 -4.897 1.00 0.00 H new ATOM 0 HA LEU A 130 109.249 3.950 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.807 2.806 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.990 2.639 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 130 111.890 5.174 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.938 6.477 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.681 5.508 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.358 4.971 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.286 5.623 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.700 4.118 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.699 4.052 -3.651 1.00 0.00 H new ATOM 1968 N LEU A 131 111.269 2.966 -7.368 1.00 0.00 N ATOM 1969 CA LEU A 131 111.839 3.371 -8.647 1.00 0.00 C ATOM 1970 C LEU A 131 110.740 3.831 -9.598 1.00 0.00 C ATOM 1971 O LEU A 131 110.871 4.862 -10.253 1.00 0.00 O ATOM 1972 CB LEU A 131 112.609 2.199 -9.267 1.00 0.00 C ATOM 1973 CG LEU A 131 113.289 2.638 -10.567 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.447 3.584 -10.248 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.830 1.407 -11.298 1.00 0.00 C ATOM 0 H LEU A 131 111.447 1.995 -7.110 1.00 0.00 H new ATOM 0 HA LEU A 131 112.524 4.202 -8.478 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.357 1.833 -8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.927 1.372 -9.466 1.00 0.00 H new ATOM 0 HG LEU A 131 112.564 3.152 -11.198 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.929 3.895 -11.175 1.00 0.00 H new ATOM 0 HD12 LEU A 131 114.067 4.461 -9.725 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.172 3.071 -9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.314 1.717 -12.224 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.554 0.896 -10.663 1.00 0.00 H new ATOM 0 HD23 LEU A 131 113.007 0.730 -11.528 1.00 0.00 H new ATOM 1987 N SER A 132 109.645 3.082 -9.645 1.00 0.00 N ATOM 1988 CA SER A 132 108.561 3.399 -10.566 1.00 0.00 C ATOM 1989 C SER A 132 108.023 4.800 -10.299 1.00 0.00 C ATOM 1990 O SER A 132 107.803 5.577 -11.228 1.00 0.00 O ATOM 1991 CB SER A 132 107.431 2.379 -10.419 1.00 0.00 C ATOM 1992 OG SER A 132 107.960 1.070 -10.585 1.00 0.00 O ATOM 0 H SER A 132 109.485 2.260 -9.063 1.00 0.00 H new ATOM 0 HA SER A 132 108.953 3.360 -11.582 1.00 0.00 H new ATOM 0 HB2 SER A 132 106.964 2.474 -9.439 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.655 2.568 -11.161 1.00 0.00 H new ATOM 0 HG SER A 132 108.451 0.811 -9.778 1.00 0.00 H new ATOM 1998 N THR A 133 107.849 5.132 -9.024 1.00 0.00 N ATOM 1999 CA THR A 133 107.298 6.433 -8.663 1.00 0.00 C ATOM 2000 C THR A 133 108.197 7.556 -9.171 1.00 0.00 C ATOM 2001 O THR A 133 107.730 8.503 -9.809 1.00 0.00 O ATOM 2002 CB THR A 133 107.153 6.537 -7.143 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.397 5.433 -6.667 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.438 7.840 -6.782 1.00 0.00 C ATOM 0 H THR A 133 108.078 4.529 -8.234 1.00 0.00 H new ATOM 0 HA THR A 133 106.317 6.532 -9.127 1.00 0.00 H new ATOM 0 HB THR A 133 108.141 6.530 -6.682 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.304 5.496 -5.693 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.336 7.911 -5.699 1.00 0.00 H new ATOM 0 HG22 THR A 133 107.018 8.687 -7.148 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.449 7.852 -7.241 1.00 0.00 H new ATOM 2012 N THR A 134 109.496 7.429 -8.918 1.00 0.00 N ATOM 2013 CA THR A 134 110.434 8.473 -9.317 1.00 0.00 C ATOM 2014 C THR A 134 110.456 8.635 -10.834 1.00 0.00 C ATOM 2015 O THR A 134 110.508 9.753 -11.343 1.00 0.00 O ATOM 2016 CB THR A 134 111.838 8.157 -8.798 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.766 7.887 -7.406 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.752 9.362 -9.037 1.00 0.00 C ATOM 0 H THR A 134 109.918 6.629 -8.447 1.00 0.00 H new ATOM 0 HA THR A 134 110.101 9.413 -8.877 1.00 0.00 H new ATOM 0 HB THR A 134 112.239 7.289 -9.322 1.00 0.00 H new ATOM 0 HG1 THR A 134 110.939 8.266 -7.042 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.753 9.138 -8.668 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.799 9.577 -10.105 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.356 10.229 -8.509 1.00 0.00 H new ATOM 2026 N LEU A 135 110.398 7.520 -11.558 1.00 0.00 N ATOM 2027 CA LEU A 135 110.407 7.569 -13.018 1.00 0.00 C ATOM 2028 C LEU A 135 109.206 8.349 -13.544 1.00 0.00 C ATOM 2029 O LEU A 135 109.323 9.097 -14.515 1.00 0.00 O ATOM 2030 CB LEU A 135 110.390 6.151 -13.594 1.00 0.00 C ATOM 2031 CG LEU A 135 111.701 5.439 -13.252 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.585 3.956 -13.609 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.844 6.063 -14.056 1.00 0.00 C ATOM 0 H LEU A 135 110.345 6.581 -11.163 1.00 0.00 H new ATOM 0 HA LEU A 135 111.318 8.077 -13.333 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.546 5.594 -13.188 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.257 6.189 -14.675 1.00 0.00 H new ATOM 0 HG LEU A 135 111.902 5.544 -12.186 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.519 3.449 -13.365 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.770 3.508 -13.041 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.384 3.853 -14.675 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.778 5.557 -13.813 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.640 5.957 -15.121 1.00 0.00 H new ATOM 0 HD23 LEU A 135 112.929 7.121 -13.807 1.00 0.00 H new ATOM 2045 N ASN A 136 108.052 8.168 -12.908 1.00 0.00 N ATOM 2046 CA ASN A 136 106.853 8.890 -13.316 1.00 0.00 C ATOM 2047 C ASN A 136 107.087 10.395 -13.227 1.00 0.00 C ATOM 2048 O ASN A 136 106.693 11.149 -14.117 1.00 0.00 O ATOM 2049 CB ASN A 136 105.676 8.499 -12.419 1.00 0.00 C ATOM 2050 CG ASN A 136 105.339 7.022 -12.599 1.00 0.00 C ATOM 2051 OD1 ASN A 136 105.662 6.428 -13.629 1.00 0.00 O ATOM 2052 ND2 ASN A 136 104.705 6.388 -11.651 1.00 0.00 N ATOM 0 H ASN A 136 107.923 7.536 -12.118 1.00 0.00 H new ATOM 0 HA ASN A 136 106.622 8.627 -14.348 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.923 8.698 -11.376 1.00 0.00 H new ATOM 0 HB3 ASN A 136 104.806 9.109 -12.662 1.00 0.00 H new ATOM 0 HD21 ASN A 136 104.477 5.400 -11.762 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.438 6.880 -10.799 1.00 0.00 H new ATOM 2059 N LEU A 137 107.733 10.822 -12.147 1.00 0.00 N ATOM 2060 CA LEU A 137 108.071 12.233 -11.981 1.00 0.00 C ATOM 2061 C LEU A 137 109.028 12.697 -13.077 1.00 0.00 C ATOM 2062 O LEU A 137 108.906 13.810 -13.589 1.00 0.00 O ATOM 2063 CB LEU A 137 108.713 12.459 -10.609 1.00 0.00 C ATOM 2064 CG LEU A 137 107.758 12.001 -9.504 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.453 12.136 -8.147 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.500 12.874 -9.512 1.00 0.00 C ATOM 0 H LEU A 137 108.031 10.219 -11.380 1.00 0.00 H new ATOM 0 HA LEU A 137 107.152 12.814 -12.054 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.651 11.908 -10.542 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.953 13.514 -10.480 1.00 0.00 H new ATOM 0 HG LEU A 137 107.480 10.961 -9.677 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.776 11.811 -7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.350 11.516 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.729 13.177 -7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.823 12.544 -8.724 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.778 13.914 -9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 137 106.002 12.786 -10.478 1.00 0.00 H new ATOM 2078 N CYS A 138 109.979 11.839 -13.430 1.00 0.00 N ATOM 2079 CA CYS A 138 110.924 12.149 -14.503 1.00 0.00 C ATOM 2080 C CYS A 138 110.210 12.389 -15.841 1.00 0.00 C ATOM 2081 O CYS A 138 110.737 13.088 -16.706 1.00 0.00 O ATOM 2082 CB CYS A 138 111.921 10.995 -14.666 1.00 0.00 C ATOM 2083 SG CYS A 138 113.305 11.173 -13.508 1.00 0.00 S ATOM 0 H CYS A 138 110.118 10.928 -12.993 1.00 0.00 H new ATOM 0 HA CYS A 138 111.446 13.065 -14.226 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.416 10.045 -14.493 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.297 10.975 -15.689 1.00 0.00 H new ATOM 2088 N GLY A 139 109.019 11.817 -16.013 1.00 0.00 N ATOM 2089 CA GLY A 139 108.275 11.972 -17.261 1.00 0.00 C ATOM 2090 C GLY A 139 108.680 10.941 -18.320 1.00 0.00 C ATOM 2091 O GLY A 139 108.484 11.171 -19.513 1.00 0.00 O ATOM 0 H GLY A 139 108.552 11.246 -15.309 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.208 11.879 -17.058 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.438 12.975 -17.655 1.00 0.00 H new