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 -61:sc= 1.21 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.941 K(o=2.2,f=-3.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.937 K(o=-0.94,f=-2.6!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -75:sc= 0.365 USER MOD Single : A 77 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-3.8!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 167:sc= 0.0307 USER MOD Single : A 101 ASN : amide:sc= -1.69 K(o=-1.7,f=-5.4!) USER MOD Single : A 106 LYS NZ :NH3+ -159:sc= -0.0725 (180deg=-0.492) 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 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot -20:sc= -0.849 USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 109.156 16.702 -8.119 1.00 0.00 N ATOM 920 CA LYS A 59 109.396 15.882 -6.930 1.00 0.00 C ATOM 921 C LYS A 59 108.123 15.613 -6.120 1.00 0.00 C ATOM 922 O LYS A 59 107.095 16.261 -6.315 1.00 0.00 O ATOM 923 CB LYS A 59 110.471 16.547 -6.056 1.00 0.00 C ATOM 924 CG LYS A 59 109.946 17.839 -5.420 1.00 0.00 C ATOM 925 CD LYS A 59 111.082 18.537 -4.670 1.00 0.00 C ATOM 926 CE LYS A 59 110.504 19.639 -3.779 1.00 0.00 C ATOM 927 NZ LYS A 59 111.618 20.401 -3.147 1.00 0.00 N ATOM 0 HA LYS A 59 109.748 14.908 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.787 15.856 -5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.350 16.767 -6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 59 109.545 18.499 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 59 109.128 17.614 -4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.630 17.815 -4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 59 111.792 18.963 -5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 59 109.880 20.309 -4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 59 109.865 19.203 -3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 111.226 21.150 -2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 112.196 19.757 -2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 112.210 20.829 -3.887 1.00 0.00 H new ATOM 941 N GLN A 60 108.220 14.645 -5.211 1.00 0.00 N ATOM 942 CA GLN A 60 107.150 14.366 -4.252 1.00 0.00 C ATOM 943 C GLN A 60 107.731 13.914 -2.917 1.00 0.00 C ATOM 944 O GLN A 60 108.823 13.351 -2.865 1.00 0.00 O ATOM 945 CB GLN A 60 106.212 13.265 -4.755 1.00 0.00 C ATOM 946 CG GLN A 60 105.416 13.757 -5.960 1.00 0.00 C ATOM 947 CD GLN A 60 104.380 12.708 -6.358 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.694 11.784 -7.107 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.163 12.778 -5.883 1.00 0.00 N ATOM 0 H GLN A 60 109.033 14.037 -5.117 1.00 0.00 H new ATOM 0 HA GLN A 60 106.589 15.293 -4.131 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.790 12.382 -5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.531 12.966 -3.958 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.921 14.698 -5.721 1.00 0.00 H new ATOM 0 HG3 GLN A 60 106.088 13.954 -6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.901 13.544 -5.262 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.476 12.067 -6.134 1.00 0.00 H new ATOM 958 N ASP A 61 106.990 14.153 -1.841 1.00 0.00 N ATOM 959 CA ASP A 61 107.369 13.619 -0.538 1.00 0.00 C ATOM 960 C ASP A 61 106.716 12.255 -0.342 1.00 0.00 C ATOM 961 O ASP A 61 105.495 12.130 -0.429 1.00 0.00 O ATOM 962 CB ASP A 61 106.922 14.573 0.573 1.00 0.00 C ATOM 963 CG ASP A 61 107.627 15.921 0.440 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.750 15.943 -0.037 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.030 16.915 0.819 1.00 0.00 O ATOM 0 H ASP A 61 106.133 14.706 -1.844 1.00 0.00 H new ATOM 0 HA ASP A 61 108.453 13.514 -0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.842 14.715 0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.143 14.135 1.546 1.00 0.00 H new ATOM 970 N ILE A 62 107.525 11.232 -0.078 1.00 0.00 N ATOM 971 CA ILE A 62 107.008 9.869 0.060 1.00 0.00 C ATOM 972 C ILE A 62 107.417 9.276 1.409 1.00 0.00 C ATOM 973 O ILE A 62 108.506 9.564 1.906 1.00 0.00 O ATOM 974 CB ILE A 62 107.517 9.018 -1.115 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.777 7.679 -1.129 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.029 8.776 -1.021 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.329 7.889 -1.590 1.00 0.00 C ATOM 0 H ILE A 62 108.534 11.317 0.044 1.00 0.00 H new ATOM 0 HA ILE A 62 105.918 9.881 0.033 1.00 0.00 H new ATOM 0 HB ILE A 62 107.323 9.561 -2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.283 6.981 -1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.790 7.235 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.354 8.171 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.552 9.732 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.257 8.252 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 62 104.807 6.932 -1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.825 8.572 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.325 8.313 -2.594 1.00 0.00 H new ATOM 989 N SER A 63 106.559 8.438 1.992 1.00 0.00 N ATOM 990 CA SER A 63 106.815 7.937 3.341 1.00 0.00 C ATOM 991 C SER A 63 106.253 6.534 3.558 1.00 0.00 C ATOM 992 O SER A 63 105.373 6.066 2.830 1.00 0.00 O ATOM 993 CB SER A 63 106.212 8.889 4.372 1.00 0.00 C ATOM 994 OG SER A 63 104.796 8.773 4.344 1.00 0.00 O ATOM 0 H SER A 63 105.699 8.098 1.562 1.00 0.00 H new ATOM 0 HA SER A 63 107.897 7.883 3.463 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.589 8.652 5.367 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.509 9.915 4.155 1.00 0.00 H new ATOM 0 HG SER A 63 104.464 9.028 3.458 1.00 0.00 H new ATOM 1000 N GLU A 64 106.764 5.876 4.594 1.00 0.00 N ATOM 1001 CA GLU A 64 106.335 4.525 4.931 1.00 0.00 C ATOM 1002 C GLU A 64 104.825 4.453 5.153 1.00 0.00 C ATOM 1003 O GLU A 64 104.193 3.461 4.800 1.00 0.00 O ATOM 1004 CB GLU A 64 107.069 4.056 6.193 1.00 0.00 C ATOM 1005 CG GLU A 64 106.729 4.971 7.377 1.00 0.00 C ATOM 1006 CD GLU A 64 107.525 4.599 8.633 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.229 3.598 8.623 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.412 5.329 9.604 1.00 0.00 O ATOM 0 H GLU A 64 107.477 6.258 5.215 1.00 0.00 H new ATOM 0 HA GLU A 64 106.580 3.872 4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.787 3.029 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.145 4.060 6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 64 106.938 6.006 7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.662 4.907 7.591 1.00 0.00 H new ATOM 1015 N ALA A 65 104.246 5.513 5.711 1.00 0.00 N ATOM 1016 CA ALA A 65 102.823 5.505 6.034 1.00 0.00 C ATOM 1017 C ALA A 65 101.978 5.264 4.787 1.00 0.00 C ATOM 1018 O ALA A 65 101.033 4.477 4.813 1.00 0.00 O ATOM 1019 CB ALA A 65 102.423 6.840 6.665 1.00 0.00 C ATOM 0 H ALA A 65 104.733 6.378 5.946 1.00 0.00 H new ATOM 0 HA ALA A 65 102.643 4.694 6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.359 6.826 6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 65 102.997 6.997 7.578 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.627 7.649 5.964 1.00 0.00 H new ATOM 1025 N ASN A 66 102.323 5.944 3.698 1.00 0.00 N ATOM 1026 CA ASN A 66 101.526 5.855 2.477 1.00 0.00 C ATOM 1027 C ASN A 66 101.651 4.472 1.840 1.00 0.00 C ATOM 1028 O ASN A 66 100.651 3.865 1.456 1.00 0.00 O ATOM 1029 CB ASN A 66 101.979 6.907 1.460 1.00 0.00 C ATOM 1030 CG ASN A 66 102.031 8.296 2.092 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.097 8.749 2.510 1.00 0.00 O ATOM 1032 ND2 ASN A 66 100.942 9.007 2.174 1.00 0.00 N ATOM 0 H ASN A 66 103.137 6.555 3.634 1.00 0.00 H new ATOM 0 HA ASN A 66 100.487 6.032 2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 66 102.963 6.643 1.073 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.295 6.915 0.612 1.00 0.00 H new ATOM 0 HD21 ASN A 66 100.972 9.940 2.585 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.060 8.630 1.827 1.00 0.00 H new ATOM 1039 N LEU A 67 102.882 3.982 1.731 1.00 0.00 N ATOM 1040 CA LEU A 67 103.128 2.704 1.064 1.00 0.00 C ATOM 1041 C LEU A 67 102.660 1.509 1.893 1.00 0.00 C ATOM 1042 O LEU A 67 102.298 0.473 1.334 1.00 0.00 O ATOM 1043 CB LEU A 67 104.617 2.556 0.735 1.00 0.00 C ATOM 1044 CG LEU A 67 104.940 3.354 -0.532 1.00 0.00 C ATOM 1045 CD1 LEU A 67 104.948 4.849 -0.206 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.309 2.934 -1.084 1.00 0.00 C ATOM 0 H LEU A 67 103.718 4.443 2.091 1.00 0.00 H new ATOM 0 HA LEU A 67 102.544 2.710 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.222 2.914 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.866 1.505 0.589 1.00 0.00 H new ATOM 0 HG LEU A 67 104.179 3.152 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.178 5.417 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 67 103.968 5.145 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.704 5.052 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.529 3.507 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 67 107.078 3.125 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.294 1.871 -1.325 1.00 0.00 H new ATOM 1058 N ALA A 68 102.668 1.643 3.219 1.00 0.00 N ATOM 1059 CA ALA A 68 102.305 0.539 4.109 1.00 0.00 C ATOM 1060 C ALA A 68 103.404 -0.537 4.049 1.00 0.00 C ATOM 1061 O ALA A 68 104.578 -0.182 3.954 1.00 0.00 O ATOM 1062 CB ALA A 68 100.904 0.010 3.750 1.00 0.00 C ATOM 0 H ALA A 68 102.922 2.505 3.701 1.00 0.00 H new ATOM 0 HA ALA A 68 102.244 0.878 5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.643 -0.811 4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.174 0.812 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.902 -0.346 2.720 1.00 0.00 H new ATOM 1068 N TYR A 69 103.068 -1.833 4.067 1.00 0.00 N ATOM 1069 CA TYR A 69 104.086 -2.884 4.083 1.00 0.00 C ATOM 1070 C TYR A 69 105.087 -2.733 2.933 1.00 0.00 C ATOM 1071 O TYR A 69 106.241 -3.146 3.051 1.00 0.00 O ATOM 1072 CB TYR A 69 103.412 -4.253 3.990 1.00 0.00 C ATOM 1073 CG TYR A 69 104.381 -5.409 4.088 1.00 0.00 C ATOM 1074 CD1 TYR A 69 104.769 -5.892 5.343 1.00 0.00 C ATOM 1075 CD2 TYR A 69 104.890 -5.996 2.923 1.00 0.00 C ATOM 1076 CE1 TYR A 69 105.667 -6.962 5.433 1.00 0.00 C ATOM 1077 CE2 TYR A 69 105.788 -7.066 3.013 1.00 0.00 C ATOM 1078 CZ TYR A 69 106.177 -7.549 4.269 1.00 0.00 C ATOM 1079 OH TYR A 69 107.062 -8.603 4.358 1.00 0.00 O ATOM 0 H TYR A 69 102.107 -2.174 4.071 1.00 0.00 H new ATOM 0 HA TYR A 69 104.636 -2.794 5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.673 -4.340 4.786 1.00 0.00 H new ATOM 0 HB3 TYR A 69 102.872 -4.320 3.045 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.376 -5.439 6.241 1.00 0.00 H new ATOM 0 HD2 TYR A 69 104.590 -5.623 1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 69 105.967 -7.335 6.401 1.00 0.00 H new ATOM 0 HE2 TYR A 69 106.181 -7.519 2.115 1.00 0.00 H new ATOM 0 HH TYR A 69 107.317 -8.893 3.457 1.00 0.00 H new ATOM 1089 N LEU A 70 104.645 -2.144 1.825 1.00 0.00 N ATOM 1090 CA LEU A 70 105.483 -2.016 0.634 1.00 0.00 C ATOM 1091 C LEU A 70 106.804 -1.301 0.935 1.00 0.00 C ATOM 1092 O LEU A 70 107.800 -1.523 0.246 1.00 0.00 O ATOM 1093 CB LEU A 70 104.724 -1.245 -0.459 1.00 0.00 C ATOM 1094 CG LEU A 70 103.792 -2.158 -1.278 1.00 0.00 C ATOM 1095 CD1 LEU A 70 104.615 -3.158 -2.094 1.00 0.00 C ATOM 1096 CD2 LEU A 70 102.819 -2.916 -0.369 1.00 0.00 C ATOM 0 H LEU A 70 103.711 -1.747 1.726 1.00 0.00 H new ATOM 0 HA LEU A 70 105.717 -3.024 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 70 104.138 -0.450 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 70 105.440 -0.767 -1.127 1.00 0.00 H new ATOM 0 HG LEU A 70 103.214 -1.526 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 70 103.945 -3.798 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 70 105.273 -2.618 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 70 105.214 -3.772 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.174 -3.552 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 70 103.381 -3.533 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 70 102.208 -2.203 0.185 1.00 0.00 H new ATOM 1108 N TRP A 71 106.818 -0.445 1.955 1.00 0.00 N ATOM 1109 CA TRP A 71 108.009 0.339 2.269 1.00 0.00 C ATOM 1110 C TRP A 71 109.220 -0.578 2.489 1.00 0.00 C ATOM 1111 O TRP A 71 109.259 -1.287 3.496 1.00 0.00 O ATOM 1112 CB TRP A 71 107.766 1.146 3.544 1.00 0.00 C ATOM 1113 CG TRP A 71 108.713 2.293 3.697 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.630 2.416 4.682 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.860 3.471 2.851 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.316 3.603 4.507 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.886 4.286 3.388 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.208 3.908 1.687 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.251 5.495 2.786 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.571 5.119 1.078 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.590 5.911 1.625 1.00 0.00 C ATOM 0 H TRP A 71 106.024 -0.278 2.573 1.00 0.00 H new ATOM 0 HA TRP A 71 108.213 1.005 1.431 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.744 1.524 3.539 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.858 0.488 4.408 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.799 1.704 5.476 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.052 3.934 5.131 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.420 3.307 1.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.036 6.102 3.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 108.062 5.443 0.182 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.865 6.842 1.151 1.00 0.00 H new ATOM 1132 N PRO A 72 110.202 -0.601 1.607 1.00 0.00 N ATOM 1133 CA PRO A 72 111.372 -1.519 1.754 1.00 0.00 C ATOM 1134 C PRO A 72 112.534 -0.927 2.553 1.00 0.00 C ATOM 1135 O PRO A 72 113.466 -1.646 2.915 1.00 0.00 O ATOM 1136 CB PRO A 72 111.790 -1.759 0.307 1.00 0.00 C ATOM 1137 CG PRO A 72 111.503 -0.471 -0.387 1.00 0.00 C ATOM 1138 CD PRO A 72 110.350 0.193 0.369 1.00 0.00 C ATOM 0 HA PRO A 72 111.105 -2.417 2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.846 -2.020 0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 72 111.229 -2.582 -0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.384 0.171 -0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 72 111.233 -0.645 -1.428 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.573 1.236 0.593 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.433 0.182 -0.220 1.00 0.00 H new ATOM 1146 N LEU A 73 112.511 0.382 2.792 1.00 0.00 N ATOM 1147 CA LEU A 73 113.643 1.054 3.427 1.00 0.00 C ATOM 1148 C LEU A 73 113.497 1.099 4.944 1.00 0.00 C ATOM 1149 O LEU A 73 112.394 1.213 5.475 1.00 0.00 O ATOM 1150 CB LEU A 73 113.765 2.489 2.910 1.00 0.00 C ATOM 1151 CG LEU A 73 113.861 2.507 1.384 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.902 3.962 0.914 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.136 1.787 0.932 1.00 0.00 C ATOM 0 H LEU A 73 111.729 0.994 2.558 1.00 0.00 H new ATOM 0 HA LEU A 73 114.536 0.481 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.902 3.072 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.647 2.962 3.341 1.00 0.00 H new ATOM 0 HG LEU A 73 112.998 1.998 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.971 3.991 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.994 4.474 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.770 4.460 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.197 1.804 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 73 116.007 2.290 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.112 0.754 1.278 1.00 0.00 H new ATOM 1165 N THR A 74 114.633 1.007 5.627 1.00 0.00 N ATOM 1166 CA THR A 74 114.672 1.154 7.078 1.00 0.00 C ATOM 1167 C THR A 74 114.389 2.600 7.480 1.00 0.00 C ATOM 1168 O THR A 74 113.729 2.842 8.491 1.00 0.00 O ATOM 1169 CB THR A 74 116.044 0.735 7.612 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.041 1.594 7.075 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.339 -0.710 7.206 1.00 0.00 C ATOM 0 H THR A 74 115.541 0.831 5.198 1.00 0.00 H new ATOM 0 HA THR A 74 113.904 0.511 7.508 1.00 0.00 H new ATOM 0 HB THR A 74 116.046 0.808 8.700 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.209 1.356 6.139 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.317 -1.003 7.589 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.575 -1.368 7.621 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.336 -0.790 6.119 1.00 0.00 H new ATOM 1179 N VAL A 75 114.885 3.558 6.692 1.00 0.00 N ATOM 1180 CA VAL A 75 114.574 4.960 6.951 1.00 0.00 C ATOM 1181 C VAL A 75 113.075 5.160 6.781 1.00 0.00 C ATOM 1182 O VAL A 75 112.502 4.735 5.782 1.00 0.00 O ATOM 1183 CB VAL A 75 115.348 5.894 6.012 1.00 0.00 C ATOM 1184 CG1 VAL A 75 116.836 5.840 6.360 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.158 5.477 4.550 1.00 0.00 C ATOM 0 H VAL A 75 115.490 3.391 5.888 1.00 0.00 H new ATOM 0 HA VAL A 75 114.876 5.209 7.968 1.00 0.00 H new ATOM 0 HB VAL A 75 114.967 6.907 6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.390 6.503 5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 75 116.980 6.159 7.392 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.201 4.820 6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.716 6.154 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.523 4.459 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.099 5.521 4.294 1.00 0.00 H new ATOM 1195 N ASP A 76 112.440 5.785 7.763 1.00 0.00 N ATOM 1196 CA ASP A 76 110.982 5.812 7.807 1.00 0.00 C ATOM 1197 C ASP A 76 110.380 6.567 6.629 1.00 0.00 C ATOM 1198 O ASP A 76 109.271 6.243 6.202 1.00 0.00 O ATOM 1199 CB ASP A 76 110.503 6.422 9.127 1.00 0.00 C ATOM 1200 CG ASP A 76 110.936 7.882 9.234 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.978 8.219 8.694 1.00 0.00 O ATOM 1202 OD2 ASP A 76 110.217 8.644 9.859 1.00 0.00 O ATOM 0 H ASP A 76 112.902 6.274 8.530 1.00 0.00 H new ATOM 0 HA ASP A 76 110.639 4.780 7.738 1.00 0.00 H new ATOM 0 HB2 ASP A 76 109.417 6.354 9.192 1.00 0.00 H new ATOM 0 HB3 ASP A 76 110.909 5.855 9.964 1.00 0.00 H new ATOM 1207 N HIS A 77 111.082 7.576 6.115 1.00 0.00 N ATOM 1208 CA HIS A 77 110.588 8.289 4.943 1.00 0.00 C ATOM 1209 C HIS A 77 111.745 8.814 4.109 1.00 0.00 C ATOM 1210 O HIS A 77 112.908 8.608 4.449 1.00 0.00 O ATOM 1211 CB HIS A 77 109.648 9.429 5.351 1.00 0.00 C ATOM 1212 CG HIS A 77 110.319 10.602 6.016 1.00 0.00 C ATOM 1213 ND1 HIS A 77 110.655 10.599 7.360 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.685 11.838 5.541 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.193 11.798 7.647 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.235 12.592 6.574 1.00 0.00 N ATOM 0 H HIS A 77 111.973 7.911 6.482 1.00 0.00 H new ATOM 0 HA HIS A 77 110.019 7.587 4.334 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.126 9.784 4.463 1.00 0.00 H new ATOM 0 HB3 HIS A 77 108.892 9.031 6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.564 12.174 4.522 1.00 0.00 H new ATOM 0 HE1 HIS A 77 111.548 12.084 8.626 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.593 13.546 6.522 1.00 0.00 H new ATOM 1224 N GLY A 78 111.409 9.422 2.981 1.00 0.00 N ATOM 1225 CA GLY A 78 112.402 10.032 2.112 1.00 0.00 C ATOM 1226 C GLY A 78 111.704 10.822 1.012 1.00 0.00 C ATOM 1227 O GLY A 78 110.510 10.648 0.763 1.00 0.00 O ATOM 0 H GLY A 78 110.449 9.506 2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.051 10.690 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.038 9.263 1.674 1.00 0.00 H new ATOM 1231 N THR A 79 112.443 11.719 0.376 1.00 0.00 N ATOM 1232 CA THR A 79 111.890 12.521 -0.710 1.00 0.00 C ATOM 1233 C THR A 79 112.446 12.043 -2.045 1.00 0.00 C ATOM 1234 O THR A 79 113.622 11.710 -2.149 1.00 0.00 O ATOM 1235 CB THR A 79 112.243 13.994 -0.501 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.089 14.322 0.873 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.291 14.851 -1.335 1.00 0.00 C ATOM 0 H THR A 79 113.422 11.911 0.590 1.00 0.00 H new ATOM 0 HA THR A 79 110.806 12.410 -0.715 1.00 0.00 H new ATOM 0 HB THR A 79 113.273 14.178 -0.806 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.316 15.265 1.012 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.532 15.905 -1.195 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.396 14.592 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.264 14.669 -1.017 1.00 0.00 H new ATOM 1245 N ILE A 80 111.599 12.008 -3.068 1.00 0.00 N ATOM 1246 CA ILE A 80 112.021 11.546 -4.389 1.00 0.00 C ATOM 1247 C ILE A 80 112.078 12.718 -5.359 1.00 0.00 C ATOM 1248 O ILE A 80 111.207 13.589 -5.339 1.00 0.00 O ATOM 1249 CB ILE A 80 111.047 10.481 -4.900 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.628 11.062 -4.960 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.074 9.281 -3.950 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.667 10.035 -5.562 1.00 0.00 C ATOM 0 H ILE A 80 110.621 12.292 -3.011 1.00 0.00 H new ATOM 0 HA ILE A 80 113.016 11.108 -4.314 1.00 0.00 H new ATOM 0 HB ILE A 80 111.343 10.164 -5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.297 11.339 -3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.624 11.972 -5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.382 8.518 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.082 8.868 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.777 9.601 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.662 10.456 -5.601 1.00 0.00 H new ATOM 0 HD12 ILE A 80 108.993 9.779 -6.570 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.661 9.137 -4.944 1.00 0.00 H new ATOM 1264 N GLU A 81 113.114 12.748 -6.193 1.00 0.00 N ATOM 1265 CA GLU A 81 113.294 13.864 -7.117 1.00 0.00 C ATOM 1266 C GLU A 81 113.889 13.413 -8.446 1.00 0.00 C ATOM 1267 O GLU A 81 114.719 12.504 -8.500 1.00 0.00 O ATOM 1268 CB GLU A 81 114.202 14.919 -6.479 1.00 0.00 C ATOM 1269 CG GLU A 81 114.260 16.166 -7.372 1.00 0.00 C ATOM 1270 CD GLU A 81 115.226 17.221 -6.819 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.853 16.983 -5.796 1.00 0.00 O ATOM 1272 OE2 GLU A 81 115.326 18.267 -7.439 1.00 0.00 O ATOM 0 H GLU A 81 113.831 12.025 -6.249 1.00 0.00 H new ATOM 0 HA GLU A 81 112.311 14.288 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 81 113.826 15.185 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 81 115.204 14.513 -6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 81 114.572 15.879 -8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.263 16.597 -7.459 1.00 0.00 H new ATOM 1279 N CYS A 82 113.437 14.060 -9.516 1.00 0.00 N ATOM 1280 CA CYS A 82 114.001 13.844 -10.843 1.00 0.00 C ATOM 1281 C CYS A 82 114.790 15.077 -11.277 1.00 0.00 C ATOM 1282 O CYS A 82 114.250 16.182 -11.328 1.00 0.00 O ATOM 1283 CB CYS A 82 112.880 13.571 -11.848 1.00 0.00 C ATOM 1284 SG CYS A 82 112.424 11.822 -11.779 1.00 0.00 S ATOM 0 H CYS A 82 112.678 14.741 -9.489 1.00 0.00 H new ATOM 0 HA CYS A 82 114.669 12.983 -10.809 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.014 14.193 -11.622 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.207 13.834 -12.854 1.00 0.00 H new ATOM 1359 N ALA A 88 116.916 9.600 -11.849 1.00 0.00 N ATOM 1360 CA ALA A 88 116.044 9.458 -10.690 1.00 0.00 C ATOM 1361 C ALA A 88 116.863 9.132 -9.448 1.00 0.00 C ATOM 1362 O ALA A 88 117.627 8.166 -9.434 1.00 0.00 O ATOM 1363 CB ALA A 88 115.025 8.343 -10.939 1.00 0.00 C ATOM 0 HA ALA A 88 115.519 10.400 -10.531 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.376 8.242 -10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.423 8.589 -11.814 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.549 7.403 -11.112 1.00 0.00 H new ATOM 1369 N VAL A 89 116.692 9.935 -8.399 1.00 0.00 N ATOM 1370 CA VAL A 89 117.414 9.711 -7.149 1.00 0.00 C ATOM 1371 C VAL A 89 116.479 9.801 -5.944 1.00 0.00 C ATOM 1372 O VAL A 89 115.435 10.455 -5.990 1.00 0.00 O ATOM 1373 CB VAL A 89 118.535 10.741 -6.990 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.551 10.573 -8.120 1.00 0.00 C ATOM 1375 CG2 VAL A 89 117.947 12.153 -7.040 1.00 0.00 C ATOM 0 H VAL A 89 116.065 10.740 -8.389 1.00 0.00 H new ATOM 0 HA VAL A 89 117.838 8.708 -7.191 1.00 0.00 H new ATOM 0 HB VAL A 89 119.030 10.588 -6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.348 11.307 -8.005 1.00 0.00 H new ATOM 0 HG12 VAL A 89 119.974 9.569 -8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.056 10.722 -9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.747 12.885 -6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.449 12.306 -7.997 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.226 12.276 -6.232 1.00 0.00 H new ATOM 1385 N PHE A 90 116.889 9.144 -4.865 1.00 0.00 N ATOM 1386 CA PHE A 90 116.141 9.126 -3.614 1.00 0.00 C ATOM 1387 C PHE A 90 116.930 9.842 -2.519 1.00 0.00 C ATOM 1388 O PHE A 90 118.092 9.529 -2.284 1.00 0.00 O ATOM 1389 CB PHE A 90 115.909 7.667 -3.211 1.00 0.00 C ATOM 1390 CG PHE A 90 115.196 7.476 -1.893 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.809 7.641 -1.808 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.930 7.118 -0.755 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.154 7.445 -0.584 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.277 6.922 0.467 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.889 7.084 0.551 1.00 0.00 C ATOM 0 H PHE A 90 117.755 8.606 -4.834 1.00 0.00 H new ATOM 0 HA PHE A 90 115.188 9.638 -3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.331 7.177 -3.994 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.873 7.161 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.243 7.919 -2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.001 6.993 -0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.084 7.572 -0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.843 6.646 1.344 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.384 6.930 1.493 1.00 0.00 H new ATOM 1405 N VAL A 91 116.301 10.801 -1.852 1.00 0.00 N ATOM 1406 CA VAL A 91 116.952 11.533 -0.767 1.00 0.00 C ATOM 1407 C VAL A 91 116.359 11.092 0.564 1.00 0.00 C ATOM 1408 O VAL A 91 115.142 11.066 0.724 1.00 0.00 O ATOM 1409 CB VAL A 91 116.736 13.043 -0.950 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.444 13.844 0.152 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.285 13.474 -2.313 1.00 0.00 C ATOM 0 H VAL A 91 115.342 11.092 -2.041 1.00 0.00 H new ATOM 0 HA VAL A 91 118.021 11.322 -0.781 1.00 0.00 H new ATOM 0 HB VAL A 91 115.666 13.243 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.273 14.909 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.049 13.552 1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.514 13.640 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.132 14.545 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.351 13.250 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.763 12.934 -3.103 1.00 0.00 H new ATOM 1421 N ALA A 92 117.219 10.769 1.525 1.00 0.00 N ATOM 1422 CA ALA A 92 116.742 10.345 2.842 1.00 0.00 C ATOM 1423 C ALA A 92 116.830 11.495 3.850 1.00 0.00 C ATOM 1424 O ALA A 92 117.634 12.405 3.663 1.00 0.00 O ATOM 1425 CB ALA A 92 117.579 9.165 3.341 1.00 0.00 C ATOM 0 H ALA A 92 118.234 10.791 1.423 1.00 0.00 H new ATOM 0 HA ALA A 92 115.699 10.043 2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.220 8.853 4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.490 8.334 2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.624 9.466 3.416 1.00 0.00 H new ATOM 1431 N PRO A 93 116.035 11.487 4.902 1.00 0.00 N ATOM 1432 CA PRO A 93 116.079 12.579 5.925 1.00 0.00 C ATOM 1433 C PRO A 93 117.496 12.907 6.391 1.00 0.00 C ATOM 1434 O PRO A 93 117.771 14.031 6.812 1.00 0.00 O ATOM 1435 CB PRO A 93 115.248 12.044 7.092 1.00 0.00 C ATOM 1436 CG PRO A 93 114.325 11.034 6.504 1.00 0.00 C ATOM 1437 CD PRO A 93 114.988 10.499 5.236 1.00 0.00 C ATOM 0 HA PRO A 93 115.696 13.511 5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 93 115.886 11.594 7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.692 12.847 7.576 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.139 10.226 7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.360 11.484 6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.417 9.511 5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.266 10.400 4.425 1.00 0.00 H new ATOM 1445 N ASP A 94 118.387 11.928 6.317 1.00 0.00 N ATOM 1446 CA ASP A 94 119.760 12.123 6.783 1.00 0.00 C ATOM 1447 C ASP A 94 120.527 13.169 5.957 1.00 0.00 C ATOM 1448 O ASP A 94 121.614 13.588 6.354 1.00 0.00 O ATOM 1449 CB ASP A 94 120.505 10.779 6.756 1.00 0.00 C ATOM 1450 CG ASP A 94 120.451 10.120 5.373 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.057 10.775 4.423 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.815 8.958 5.281 1.00 0.00 O ATOM 0 H ASP A 94 118.191 10.999 5.944 1.00 0.00 H new ATOM 0 HA ASP A 94 119.707 12.505 7.802 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.545 10.935 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.068 10.107 7.495 1.00 0.00 H new ATOM 1457 N GLY A 95 119.976 13.594 4.818 1.00 0.00 N ATOM 1458 CA GLY A 95 120.655 14.555 3.948 1.00 0.00 C ATOM 1459 C GLY A 95 121.561 13.882 2.905 1.00 0.00 C ATOM 1460 O GLY A 95 122.326 14.561 2.218 1.00 0.00 O ATOM 0 H GLY A 95 119.064 13.289 4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 95 119.910 15.163 3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.253 15.231 4.559 1.00 0.00 H new ATOM 1464 N THR A 96 121.477 12.560 2.782 1.00 0.00 N ATOM 1465 CA THR A 96 122.285 11.813 1.833 1.00 0.00 C ATOM 1466 C THR A 96 121.455 11.510 0.596 1.00 0.00 C ATOM 1467 O THR A 96 120.278 11.169 0.704 1.00 0.00 O ATOM 1468 CB THR A 96 122.741 10.499 2.474 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.435 10.780 3.681 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.663 9.737 1.519 1.00 0.00 C ATOM 0 H THR A 96 120.847 11.981 3.338 1.00 0.00 H new ATOM 0 HA THR A 96 123.158 12.403 1.553 1.00 0.00 H new ATOM 0 HB THR A 96 121.867 9.884 2.686 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.726 9.940 4.094 1.00 0.00 H new ATOM 0 HG21 THR A 96 123.980 8.805 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.128 9.516 0.595 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.538 10.347 1.294 1.00 0.00 H new ATOM 1478 N THR A 97 122.068 11.635 -0.576 1.00 0.00 N ATOM 1479 CA THR A 97 121.374 11.323 -1.818 1.00 0.00 C ATOM 1480 C THR A 97 121.825 9.964 -2.340 1.00 0.00 C ATOM 1481 O THR A 97 123.020 9.679 -2.429 1.00 0.00 O ATOM 1482 CB THR A 97 121.664 12.400 -2.867 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.337 13.675 -2.334 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.825 12.137 -4.118 1.00 0.00 C ATOM 0 H THR A 97 123.032 11.946 -0.691 1.00 0.00 H new ATOM 0 HA THR A 97 120.302 11.294 -1.623 1.00 0.00 H new ATOM 0 HB THR A 97 122.721 12.375 -3.132 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.523 14.367 -3.003 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.033 12.905 -4.863 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.077 11.158 -4.526 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.767 12.161 -3.858 1.00 0.00 H new ATOM 1492 N TYR A 98 120.850 9.134 -2.679 1.00 0.00 N ATOM 1493 CA TYR A 98 121.109 7.799 -3.198 1.00 0.00 C ATOM 1494 C TYR A 98 120.573 7.701 -4.623 1.00 0.00 C ATOM 1495 O TYR A 98 119.578 8.338 -4.954 1.00 0.00 O ATOM 1496 CB TYR A 98 120.405 6.761 -2.321 1.00 0.00 C ATOM 1497 CG TYR A 98 120.827 6.773 -0.867 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.929 6.016 -0.449 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.110 7.533 0.067 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.313 6.020 0.899 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.495 7.537 1.414 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.595 6.780 1.831 1.00 0.00 C ATOM 1503 OH TYR A 98 121.975 6.783 3.160 1.00 0.00 O ATOM 0 H TYR A 98 119.860 9.366 -2.602 1.00 0.00 H new ATOM 0 HA TYR A 98 122.182 7.609 -3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.329 6.929 -2.375 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.594 5.769 -2.732 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.483 5.429 -1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.259 8.117 -0.252 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.163 5.436 1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 98 119.942 8.125 2.131 1.00 0.00 H new ATOM 0 HH TYR A 98 121.518 7.512 3.629 1.00 0.00 H new ATOM 1513 N ALA A 99 121.224 6.904 -5.460 1.00 0.00 N ATOM 1514 CA ALA A 99 120.795 6.750 -6.846 1.00 0.00 C ATOM 1515 C ALA A 99 119.746 5.649 -6.967 1.00 0.00 C ATOM 1516 O ALA A 99 119.960 4.524 -6.513 1.00 0.00 O ATOM 1517 CB ALA A 99 122.000 6.408 -7.722 1.00 0.00 C ATOM 0 H ALA A 99 122.047 6.357 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 99 120.354 7.689 -7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.677 6.293 -8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.736 7.210 -7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.448 5.476 -7.377 1.00 0.00 H new ATOM 1523 N LEU A 100 118.612 5.976 -7.579 1.00 0.00 N ATOM 1524 CA LEU A 100 117.552 4.994 -7.773 1.00 0.00 C ATOM 1525 C LEU A 100 117.803 4.188 -9.040 1.00 0.00 C ATOM 1526 O LEU A 100 117.780 2.958 -9.023 1.00 0.00 O ATOM 1527 CB LEU A 100 116.190 5.682 -7.894 1.00 0.00 C ATOM 1528 CG LEU A 100 115.716 6.160 -6.523 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.650 7.240 -6.713 1.00 0.00 C ATOM 1530 CD2 LEU A 100 115.108 4.979 -5.765 1.00 0.00 C ATOM 0 H LEU A 100 118.405 6.905 -7.946 1.00 0.00 H new ATOM 0 HA LEU A 100 117.550 4.333 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.261 6.528 -8.577 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.462 4.991 -8.318 1.00 0.00 H new ATOM 0 HG LEU A 100 116.556 6.566 -5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.306 7.587 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.075 8.077 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.808 6.827 -7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.767 5.312 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.263 4.582 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.860 4.200 -5.642 1.00 0.00 H new ATOM 1542 N ASN A 101 118.045 4.896 -10.143 1.00 0.00 N ATOM 1543 CA ASN A 101 118.210 4.237 -11.441 1.00 0.00 C ATOM 1544 C ASN A 101 119.675 4.197 -11.879 1.00 0.00 C ATOM 1545 O ASN A 101 120.538 4.870 -11.313 1.00 0.00 O ATOM 1546 CB ASN A 101 117.337 4.923 -12.500 1.00 0.00 C ATOM 1547 CG ASN A 101 117.858 6.312 -12.858 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.853 6.772 -12.301 1.00 0.00 O ATOM 1549 ND2 ASN A 101 117.240 7.011 -13.770 1.00 0.00 N ATOM 0 H ASN A 101 118.131 5.912 -10.166 1.00 0.00 H new ATOM 0 HA ASN A 101 117.882 3.203 -11.333 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.304 4.306 -13.398 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.315 5.003 -12.130 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.582 7.939 -14.021 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.415 6.630 -14.232 1.00 0.00 H new ATOM 1556 N ASP A 102 119.943 3.401 -12.908 1.00 0.00 N ATOM 1557 CA ASP A 102 121.314 3.143 -13.334 1.00 0.00 C ATOM 1558 C ASP A 102 122.052 4.428 -13.702 1.00 0.00 C ATOM 1559 O ASP A 102 123.241 4.562 -13.420 1.00 0.00 O ATOM 1560 CB ASP A 102 121.311 2.192 -14.534 1.00 0.00 C ATOM 1561 CG ASP A 102 120.577 2.828 -15.710 1.00 0.00 C ATOM 1562 OD1 ASP A 102 121.225 3.509 -16.489 1.00 0.00 O ATOM 1563 OD2 ASP A 102 119.379 2.626 -15.815 1.00 0.00 O ATOM 0 H ASP A 102 119.231 2.924 -13.462 1.00 0.00 H new ATOM 0 HA ASP A 102 121.839 2.688 -12.494 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.335 1.954 -14.821 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.830 1.253 -14.261 1.00 0.00 H new ATOM 1568 N ARG A 103 121.355 5.372 -14.326 1.00 0.00 N ATOM 1569 CA ARG A 103 121.999 6.605 -14.769 1.00 0.00 C ATOM 1570 C ARG A 103 122.523 7.412 -13.582 1.00 0.00 C ATOM 1571 O ARG A 103 123.637 7.936 -13.622 1.00 0.00 O ATOM 1572 CB ARG A 103 121.024 7.427 -15.613 1.00 0.00 C ATOM 1573 CG ARG A 103 120.762 6.672 -16.919 1.00 0.00 C ATOM 1574 CD ARG A 103 119.878 7.505 -17.848 1.00 0.00 C ATOM 1575 NE ARG A 103 118.600 7.805 -17.200 1.00 0.00 N ATOM 1576 CZ ARG A 103 117.632 6.897 -17.016 1.00 0.00 C ATOM 1577 NH1 ARG A 103 117.762 5.645 -17.385 1.00 0.00 N ATOM 1578 NH2 ARG A 103 116.525 7.281 -16.446 1.00 0.00 N ATOM 0 H ARG A 103 120.358 5.310 -14.535 1.00 0.00 H new ATOM 0 HA ARG A 103 122.859 6.347 -15.387 1.00 0.00 H new ATOM 0 HB2 ARG A 103 120.091 7.583 -15.071 1.00 0.00 H new ATOM 0 HB3 ARG A 103 121.440 8.413 -15.821 1.00 0.00 H new ATOM 0 HG2 ARG A 103 121.708 6.446 -17.412 1.00 0.00 H new ATOM 0 HG3 ARG A 103 120.279 5.719 -16.705 1.00 0.00 H new ATOM 0 HD2 ARG A 103 120.387 8.433 -18.110 1.00 0.00 H new ATOM 0 HD3 ARG A 103 119.704 6.963 -18.778 1.00 0.00 H new ATOM 0 HE ARG A 103 118.438 8.757 -16.871 1.00 0.00 H new ATOM 0 HH11 ARG A 103 118.624 5.331 -17.830 1.00 0.00 H new ATOM 0 HH12 ARG A 103 117.001 4.985 -17.227 1.00 0.00 H new ATOM 0 HH21 ARG A 103 116.412 8.251 -16.153 1.00 0.00 H new ATOM 0 HH22 ARG A 103 115.771 6.611 -16.293 1.00 0.00 H new ATOM 1592 N ALA A 104 121.743 7.479 -12.507 1.00 0.00 N ATOM 1593 CA ALA A 104 122.194 8.150 -11.290 1.00 0.00 C ATOM 1594 C ALA A 104 123.456 7.483 -10.734 1.00 0.00 C ATOM 1595 O ALA A 104 124.339 8.153 -10.191 1.00 0.00 O ATOM 1596 CB ALA A 104 121.083 8.121 -10.239 1.00 0.00 C ATOM 0 H ALA A 104 120.805 7.082 -12.452 1.00 0.00 H new ATOM 0 HA ALA A 104 122.433 9.185 -11.536 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.425 8.623 -9.334 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.202 8.633 -10.627 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.829 7.087 -10.007 1.00 0.00 H new ATOM 1602 N GLU A 105 123.528 6.156 -10.841 1.00 0.00 N ATOM 1603 CA GLU A 105 124.731 5.439 -10.427 1.00 0.00 C ATOM 1604 C GLU A 105 125.922 5.854 -11.287 1.00 0.00 C ATOM 1605 O GLU A 105 127.025 6.051 -10.782 1.00 0.00 O ATOM 1606 CB GLU A 105 124.515 3.928 -10.535 1.00 0.00 C ATOM 1607 CG GLU A 105 123.399 3.500 -9.575 1.00 0.00 C ATOM 1608 CD GLU A 105 123.195 1.981 -9.579 1.00 0.00 C ATOM 1609 OE1 GLU A 105 123.752 1.305 -10.432 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.474 1.510 -8.715 1.00 0.00 O ATOM 0 H GLU A 105 122.780 5.565 -11.205 1.00 0.00 H new ATOM 0 HA GLU A 105 124.940 5.693 -9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 105 124.251 3.660 -11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.438 3.400 -10.295 1.00 0.00 H new ATOM 0 HG2 GLU A 105 123.641 3.831 -8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 105 122.468 3.992 -9.857 1.00 0.00 H new ATOM 1617 N LYS A 106 125.691 6.025 -12.586 1.00 0.00 N ATOM 1618 CA LYS A 106 126.739 6.509 -13.486 1.00 0.00 C ATOM 1619 C LYS A 106 127.262 7.878 -13.040 1.00 0.00 C ATOM 1620 O LYS A 106 128.444 8.181 -13.202 1.00 0.00 O ATOM 1621 CB LYS A 106 126.193 6.605 -14.914 1.00 0.00 C ATOM 1622 CG LYS A 106 127.319 6.966 -15.889 1.00 0.00 C ATOM 1623 CD LYS A 106 128.211 5.745 -16.127 1.00 0.00 C ATOM 1624 CE LYS A 106 129.277 6.088 -17.170 1.00 0.00 C ATOM 1625 NZ LYS A 106 128.625 6.314 -18.491 1.00 0.00 N ATOM 0 H LYS A 106 124.796 5.838 -13.038 1.00 0.00 H new ATOM 0 HA LYS A 106 127.567 5.800 -13.456 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.742 5.656 -15.203 1.00 0.00 H new ATOM 0 HB3 LYS A 106 125.407 7.358 -14.960 1.00 0.00 H new ATOM 0 HG2 LYS A 106 126.898 7.310 -16.834 1.00 0.00 H new ATOM 0 HG3 LYS A 106 127.911 7.788 -15.486 1.00 0.00 H new ATOM 0 HD2 LYS A 106 128.685 5.440 -15.194 1.00 0.00 H new ATOM 0 HD3 LYS A 106 127.609 4.903 -16.469 1.00 0.00 H new ATOM 0 HE2 LYS A 106 129.825 6.980 -16.866 1.00 0.00 H new ATOM 0 HE3 LYS A 106 130.002 5.278 -17.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 129.326 6.194 -19.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 127.855 5.627 -18.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 128.238 7.279 -18.527 1.00 0.00 H new ATOM 1639 N ALA A 107 126.375 8.698 -12.480 1.00 0.00 N ATOM 1640 CA ALA A 107 126.752 10.015 -11.961 1.00 0.00 C ATOM 1641 C ALA A 107 127.570 9.940 -10.662 1.00 0.00 C ATOM 1642 O ALA A 107 127.929 10.975 -10.101 1.00 0.00 O ATOM 1643 CB ALA A 107 125.491 10.843 -11.710 1.00 0.00 C ATOM 0 H ALA A 107 125.386 8.474 -12.373 1.00 0.00 H new ATOM 0 HA ALA A 107 127.385 10.483 -12.715 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.770 11.823 -11.324 1.00 0.00 H new ATOM 0 HB2 ALA A 107 124.943 10.964 -12.644 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.860 10.333 -10.983 1.00 0.00 H new ATOM 1649 N GLY A 108 127.867 8.733 -10.182 1.00 0.00 N ATOM 1650 CA GLY A 108 128.690 8.562 -8.991 1.00 0.00 C ATOM 1651 C GLY A 108 127.923 8.791 -7.690 1.00 0.00 C ATOM 1652 O GLY A 108 128.530 9.110 -6.666 1.00 0.00 O ATOM 0 H GLY A 108 127.548 7.860 -10.602 1.00 0.00 H new ATOM 0 HA2 GLY A 108 129.106 7.555 -8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.531 9.254 -9.036 1.00 0.00 H new ATOM 1656 N HIS A 109 126.598 8.634 -7.720 1.00 0.00 N ATOM 1657 CA HIS A 109 125.820 8.674 -6.488 1.00 0.00 C ATOM 1658 C HIS A 109 125.786 7.275 -5.862 1.00 0.00 C ATOM 1659 O HIS A 109 125.718 6.290 -6.601 1.00 0.00 O ATOM 1660 CB HIS A 109 124.394 9.145 -6.783 1.00 0.00 C ATOM 1661 CG HIS A 109 124.255 10.641 -6.824 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.266 11.417 -5.676 1.00 0.00 N ATOM 1663 CD2 HIS A 109 124.098 11.521 -7.868 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.122 12.700 -6.051 1.00 0.00 C ATOM 1665 NE2 HIS A 109 124.015 12.821 -7.377 1.00 0.00 N ATOM 0 H HIS A 109 126.053 8.481 -8.568 1.00 0.00 H new ATOM 0 HA HIS A 109 126.284 9.373 -5.792 1.00 0.00 H new ATOM 0 HB2 HIS A 109 124.073 8.732 -7.739 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.723 8.746 -6.022 1.00 0.00 H new ATOM 0 HD2 HIS A 109 124.047 11.246 -8.911 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.096 13.532 -5.363 1.00 0.00 H new ATOM 0 HE2 HIS A 109 123.898 13.680 -7.914 1.00 0.00 H new ATOM 1673 N PRO A 110 125.829 7.144 -4.551 1.00 0.00 N ATOM 1674 CA PRO A 110 125.820 5.795 -3.904 1.00 0.00 C ATOM 1675 C PRO A 110 124.430 5.157 -3.965 1.00 0.00 C ATOM 1676 O PRO A 110 123.442 5.883 -4.027 1.00 0.00 O ATOM 1677 CB PRO A 110 126.230 6.075 -2.458 1.00 0.00 C ATOM 1678 CG PRO A 110 125.794 7.475 -2.193 1.00 0.00 C ATOM 1679 CD PRO A 110 125.853 8.213 -3.531 1.00 0.00 C ATOM 0 HA PRO A 110 126.487 5.092 -4.402 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.752 5.377 -1.771 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.306 5.966 -2.326 1.00 0.00 H new ATOM 0 HG2 PRO A 110 124.784 7.495 -1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 110 126.445 7.951 -1.459 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.007 8.890 -3.647 1.00 0.00 H new ATOM 0 HD3 PRO A 110 126.757 8.816 -3.611 1.00 0.00 H new ATOM 1687 N PRO A 111 124.319 3.846 -3.972 1.00 0.00 N ATOM 1688 CA PRO A 111 122.982 3.180 -4.042 1.00 0.00 C ATOM 1689 C PRO A 111 122.259 3.181 -2.696 1.00 0.00 C ATOM 1690 O PRO A 111 122.888 3.305 -1.645 1.00 0.00 O ATOM 1691 CB PRO A 111 123.302 1.755 -4.498 1.00 0.00 C ATOM 1692 CG PRO A 111 124.701 1.493 -4.052 1.00 0.00 C ATOM 1693 CD PRO A 111 125.405 2.845 -3.928 1.00 0.00 C ATOM 0 HA PRO A 111 122.305 3.701 -4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.610 1.038 -4.057 1.00 0.00 H new ATOM 0 HB3 PRO A 111 123.212 1.661 -5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.707 0.969 -3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 111 125.219 0.855 -4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.967 2.913 -2.997 1.00 0.00 H new ATOM 0 HD3 PRO A 111 126.115 2.997 -4.741 1.00 0.00 H new ATOM 1701 N ILE A 112 120.934 3.043 -2.734 1.00 0.00 N ATOM 1702 CA ILE A 112 120.137 3.019 -1.504 1.00 0.00 C ATOM 1703 C ILE A 112 120.489 1.822 -0.603 1.00 0.00 C ATOM 1704 O ILE A 112 120.083 1.807 0.558 1.00 0.00 O ATOM 1705 CB ILE A 112 118.633 3.014 -1.843 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.296 4.264 -2.664 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.794 3.040 -0.555 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.868 4.183 -3.218 1.00 0.00 C ATOM 0 H ILE A 112 120.392 2.947 -3.593 1.00 0.00 H new ATOM 0 HA ILE A 112 120.377 3.923 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 112 118.406 2.110 -2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.399 5.152 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 112 119.005 4.367 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.734 3.036 -0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 112 118.025 2.162 0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 112 118.027 3.941 0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.651 5.081 -3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.776 3.306 -3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.161 4.104 -2.392 1.00 0.00 H new ATOM 1720 N THR A 113 121.279 0.861 -1.091 1.00 0.00 N ATOM 1721 CA THR A 113 121.519 -0.385 -0.361 1.00 0.00 C ATOM 1722 C THR A 113 121.791 -0.232 1.147 1.00 0.00 C ATOM 1723 O THR A 113 121.255 -1.046 1.903 1.00 0.00 O ATOM 1724 CB THR A 113 122.598 -1.239 -1.053 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.451 -2.588 -0.636 1.00 0.00 O ATOM 1726 CG2 THR A 113 124.026 -0.779 -0.731 1.00 0.00 C ATOM 0 H THR A 113 121.762 0.923 -1.987 1.00 0.00 H new ATOM 0 HA THR A 113 120.567 -0.914 -0.403 1.00 0.00 H new ATOM 0 HB THR A 113 122.455 -1.131 -2.128 1.00 0.00 H new ATOM 0 HG1 THR A 113 123.132 -3.141 -1.072 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.740 -1.420 -1.248 1.00 0.00 H new ATOM 0 HG22 THR A 113 124.159 0.252 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A 113 124.195 -0.841 0.344 1.00 0.00 H new ATOM 1734 N PRO A 114 122.532 0.752 1.639 1.00 0.00 N ATOM 1735 CA PRO A 114 122.861 0.807 3.103 1.00 0.00 C ATOM 1736 C PRO A 114 121.607 0.864 3.976 1.00 0.00 C ATOM 1737 O PRO A 114 121.588 0.322 5.082 1.00 0.00 O ATOM 1738 CB PRO A 114 123.710 2.072 3.272 1.00 0.00 C ATOM 1739 CG PRO A 114 124.197 2.402 1.905 1.00 0.00 C ATOM 1740 CD PRO A 114 123.097 1.936 0.958 1.00 0.00 C ATOM 0 HA PRO A 114 123.389 -0.091 3.423 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.120 2.889 3.688 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.542 1.899 3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.378 3.472 1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.139 1.897 1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.344 2.709 0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.495 1.682 -0.025 1.00 0.00 H new ATOM 1748 N ILE A 115 120.564 1.522 3.477 1.00 0.00 N ATOM 1749 CA ILE A 115 119.298 1.625 4.214 1.00 0.00 C ATOM 1750 C ILE A 115 118.243 0.612 3.746 1.00 0.00 C ATOM 1751 O ILE A 115 117.100 0.681 4.187 1.00 0.00 O ATOM 1752 CB ILE A 115 118.714 3.041 4.108 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.640 3.488 2.640 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.583 4.017 4.903 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.837 4.788 2.507 1.00 0.00 C ATOM 0 H ILE A 115 120.565 1.991 2.571 1.00 0.00 H new ATOM 0 HA ILE A 115 119.541 1.397 5.252 1.00 0.00 H new ATOM 0 HB ILE A 115 117.705 3.033 4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.647 3.635 2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.176 2.705 2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.166 5.021 4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.607 3.713 5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.596 4.013 4.501 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.798 5.086 1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.824 4.630 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.318 5.574 3.090 1.00 0.00 H new ATOM 1767 N ARG A 116 118.608 -0.321 2.870 1.00 0.00 N ATOM 1768 CA ARG A 116 117.659 -1.312 2.369 1.00 0.00 C ATOM 1769 C ARG A 116 117.429 -2.404 3.409 1.00 0.00 C ATOM 1770 O ARG A 116 118.369 -2.850 4.068 1.00 0.00 O ATOM 1771 CB ARG A 116 118.220 -1.926 1.085 1.00 0.00 C ATOM 1772 CG ARG A 116 117.196 -2.871 0.456 1.00 0.00 C ATOM 1773 CD ARG A 116 117.805 -3.498 -0.800 1.00 0.00 C ATOM 1774 NE ARG A 116 116.813 -4.328 -1.488 1.00 0.00 N ATOM 1775 CZ ARG A 116 116.822 -4.551 -2.812 1.00 0.00 C ATOM 1776 NH1 ARG A 116 117.736 -4.042 -3.602 1.00 0.00 N ATOM 1777 NH2 ARG A 116 115.892 -5.306 -3.329 1.00 0.00 N ATOM 0 H ARG A 116 119.552 -0.412 2.493 1.00 0.00 H new ATOM 0 HA ARG A 116 116.704 -0.828 2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.478 -1.137 0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 116 119.139 -2.469 1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.914 -3.648 1.166 1.00 0.00 H new ATOM 0 HG3 ARG A 116 116.287 -2.326 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 116 118.161 -2.715 -1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 116 118.670 -4.103 -0.529 1.00 0.00 H new ATOM 0 HE ARG A 116 116.076 -4.760 -0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 116 118.474 -3.454 -3.215 1.00 0.00 H new ATOM 0 HH12 ARG A 116 117.709 -4.234 -4.603 1.00 0.00 H new ATOM 0 HH21 ARG A 116 115.175 -5.715 -2.729 1.00 0.00 H new ATOM 0 HH22 ARG A 116 115.882 -5.487 -4.333 1.00 0.00 H new ATOM 1791 N ALA A 117 116.179 -2.835 3.558 1.00 0.00 N ATOM 1792 CA ALA A 117 115.844 -3.844 4.554 1.00 0.00 C ATOM 1793 C ALA A 117 116.019 -5.253 3.999 1.00 0.00 C ATOM 1794 O ALA A 117 115.622 -5.542 2.871 1.00 0.00 O ATOM 1795 CB ALA A 117 114.395 -3.660 5.006 1.00 0.00 C ATOM 0 H ALA A 117 115.388 -2.503 3.006 1.00 0.00 H new ATOM 0 HA ALA A 117 116.521 -3.719 5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 117 114.147 -4.416 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.273 -2.668 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.730 -3.764 4.148 1.00 0.00 H new ATOM 1883 N ILE A 125 114.448 -6.912 0.242 1.00 0.00 N ATOM 1884 CA ILE A 125 113.127 -6.458 -0.173 1.00 0.00 C ATOM 1885 C ILE A 125 113.243 -5.532 -1.385 1.00 0.00 C ATOM 1886 O ILE A 125 114.009 -4.569 -1.379 1.00 0.00 O ATOM 1887 CB ILE A 125 112.459 -5.751 1.017 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.279 -6.757 2.163 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.082 -5.203 0.629 1.00 0.00 C ATOM 1890 CD1 ILE A 125 112.101 -6.020 3.492 1.00 0.00 C ATOM 0 HA ILE A 125 112.511 -7.306 -0.473 1.00 0.00 H new ATOM 0 HB ILE A 125 113.096 -4.922 1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.411 -7.388 1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.146 -7.416 2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.632 -4.708 1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.192 -4.487 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.441 -6.024 0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.974 -6.745 4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.982 -5.409 3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 125 111.220 -5.380 3.438 1.00 0.00 H new ATOM 1902 N SER A 126 112.456 -5.830 -2.417 1.00 0.00 N ATOM 1903 CA SER A 126 112.546 -5.109 -3.684 1.00 0.00 C ATOM 1904 C SER A 126 112.281 -3.618 -3.515 1.00 0.00 C ATOM 1905 O SER A 126 111.390 -3.207 -2.771 1.00 0.00 O ATOM 1906 CB SER A 126 111.536 -5.689 -4.674 1.00 0.00 C ATOM 1907 OG SER A 126 111.811 -7.071 -4.865 1.00 0.00 O ATOM 0 H SER A 126 111.749 -6.565 -2.400 1.00 0.00 H new ATOM 0 HA SER A 126 113.562 -5.229 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.522 -5.556 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 126 111.595 -5.159 -5.625 1.00 0.00 H new ATOM 0 HG SER A 126 111.165 -7.449 -5.498 1.00 0.00 H new ATOM 1913 N LEU A 127 113.073 -2.819 -4.221 1.00 0.00 N ATOM 1914 CA LEU A 127 112.843 -1.374 -4.297 1.00 0.00 C ATOM 1915 C LEU A 127 112.026 -0.977 -5.539 1.00 0.00 C ATOM 1916 O LEU A 127 111.853 0.211 -5.809 1.00 0.00 O ATOM 1917 CB LEU A 127 114.186 -0.632 -4.342 1.00 0.00 C ATOM 1918 CG LEU A 127 115.069 -1.032 -3.154 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.416 -0.315 -3.259 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.390 -0.631 -1.843 1.00 0.00 C ATOM 0 H LEU A 127 113.882 -3.144 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 127 112.276 -1.097 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.701 -0.858 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 127 114.013 0.444 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 127 115.220 -2.111 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 127 117.045 -0.598 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.908 -0.599 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.256 0.763 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 127 115.023 -0.918 -1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 127 114.235 0.448 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.428 -1.137 -1.762 1.00 0.00 H new ATOM 1932 N GLY A 128 111.527 -1.953 -6.301 1.00 0.00 N ATOM 1933 CA GLY A 128 110.853 -1.666 -7.565 1.00 0.00 C ATOM 1934 C GLY A 128 109.786 -0.583 -7.432 1.00 0.00 C ATOM 1935 O GLY A 128 109.716 0.323 -8.263 1.00 0.00 O ATOM 0 H GLY A 128 111.577 -2.944 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.592 -1.353 -8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.393 -2.579 -7.942 1.00 0.00 H new ATOM 1939 N ALA A 129 108.972 -0.656 -6.383 1.00 0.00 N ATOM 1940 CA ALA A 129 107.875 0.297 -6.221 1.00 0.00 C ATOM 1941 C ALA A 129 108.405 1.725 -6.155 1.00 0.00 C ATOM 1942 O ALA A 129 107.921 2.615 -6.857 1.00 0.00 O ATOM 1943 CB ALA A 129 107.094 -0.020 -4.945 1.00 0.00 C ATOM 0 H ALA A 129 109.047 -1.353 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 129 107.214 0.210 -7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.278 0.694 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.687 -1.029 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.760 0.049 -4.085 1.00 0.00 H new ATOM 1949 N LEU A 130 109.427 1.935 -5.334 1.00 0.00 N ATOM 1950 CA LEU A 130 109.994 3.266 -5.167 1.00 0.00 C ATOM 1951 C LEU A 130 110.516 3.798 -6.500 1.00 0.00 C ATOM 1952 O LEU A 130 110.292 4.957 -6.851 1.00 0.00 O ATOM 1953 CB LEU A 130 111.132 3.208 -4.146 1.00 0.00 C ATOM 1954 CG LEU A 130 111.656 4.618 -3.870 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.592 5.421 -3.121 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.919 4.525 -3.012 1.00 0.00 C ATOM 0 H LEU A 130 109.876 1.207 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 130 109.216 3.940 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.779 2.754 -3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.938 2.578 -4.522 1.00 0.00 H new ATOM 0 HG LEU A 130 111.887 5.114 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.966 6.426 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.688 5.482 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.362 4.928 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.297 5.527 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.683 4.031 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.678 3.950 -3.543 1.00 0.00 H new ATOM 1968 N LEU A 131 111.183 2.931 -7.255 1.00 0.00 N ATOM 1969 CA LEU A 131 111.741 3.335 -8.540 1.00 0.00 C ATOM 1970 C LEU A 131 110.636 3.810 -9.477 1.00 0.00 C ATOM 1971 O LEU A 131 110.777 4.834 -10.141 1.00 0.00 O ATOM 1972 CB LEU A 131 112.490 2.157 -9.173 1.00 0.00 C ATOM 1973 CG LEU A 131 113.168 2.600 -10.473 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.339 3.528 -10.152 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.687 1.369 -11.219 1.00 0.00 C ATOM 0 H LEU A 131 111.349 1.956 -7.004 1.00 0.00 H new ATOM 0 HA LEU A 131 112.436 4.159 -8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.236 1.775 -8.477 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.796 1.342 -9.376 1.00 0.00 H new ATOM 0 HG LEU A 131 112.446 3.130 -11.095 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.819 3.842 -11.079 1.00 0.00 H new ATOM 0 HD12 LEU A 131 113.973 4.405 -9.618 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.061 3.000 -9.529 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.170 1.681 -12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.407 0.842 -10.594 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.854 0.706 -11.451 1.00 0.00 H new ATOM 1987 N SER A 132 109.526 3.083 -9.501 1.00 0.00 N ATOM 1988 CA SER A 132 108.431 3.416 -10.403 1.00 0.00 C ATOM 1989 C SER A 132 107.927 4.828 -10.133 1.00 0.00 C ATOM 1990 O SER A 132 107.714 5.609 -11.061 1.00 0.00 O ATOM 1991 CB SER A 132 107.285 2.419 -10.229 1.00 0.00 C ATOM 1992 OG SER A 132 106.315 2.641 -11.242 1.00 0.00 O ATOM 0 H SER A 132 109.361 2.267 -8.912 1.00 0.00 H new ATOM 0 HA SER A 132 108.801 3.364 -11.427 1.00 0.00 H new ATOM 0 HB2 SER A 132 107.663 1.398 -10.288 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.833 2.535 -9.244 1.00 0.00 H new ATOM 0 HG SER A 132 105.579 2.003 -11.135 1.00 0.00 H new ATOM 1998 N THR A 133 107.771 5.165 -8.857 1.00 0.00 N ATOM 1999 CA THR A 133 107.247 6.477 -8.493 1.00 0.00 C ATOM 2000 C THR A 133 108.152 7.583 -9.027 1.00 0.00 C ATOM 2001 O THR A 133 107.686 8.533 -9.663 1.00 0.00 O ATOM 2002 CB THR A 133 107.136 6.591 -6.970 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.375 5.502 -6.471 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.449 7.907 -6.603 1.00 0.00 C ATOM 0 H THR A 133 107.996 4.559 -8.068 1.00 0.00 H new ATOM 0 HA THR A 133 106.258 6.589 -8.937 1.00 0.00 H new ATOM 0 HB THR A 133 108.133 6.571 -6.530 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.304 5.572 -5.496 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.371 7.987 -5.519 1.00 0.00 H new ATOM 0 HG22 THR A 133 107.034 8.742 -6.987 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.451 7.931 -7.041 1.00 0.00 H new ATOM 2012 N THR A 134 109.454 7.435 -8.802 1.00 0.00 N ATOM 2013 CA THR A 134 110.400 8.462 -9.227 1.00 0.00 C ATOM 2014 C THR A 134 110.384 8.619 -10.747 1.00 0.00 C ATOM 2015 O THR A 134 110.426 9.735 -11.262 1.00 0.00 O ATOM 2016 CB THR A 134 111.812 8.121 -8.750 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.773 7.815 -7.363 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.730 9.326 -8.978 1.00 0.00 C ATOM 0 H THR A 134 109.873 6.630 -8.337 1.00 0.00 H new ATOM 0 HA THR A 134 110.096 9.407 -8.778 1.00 0.00 H new ATOM 0 HB THR A 134 112.192 7.264 -9.306 1.00 0.00 H new ATOM 0 HG1 THR A 134 110.959 8.191 -6.968 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.737 9.085 -8.639 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.753 9.570 -10.040 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.353 10.182 -8.418 1.00 0.00 H new ATOM 2026 N LEU A 135 110.302 7.502 -11.463 1.00 0.00 N ATOM 2027 CA LEU A 135 110.282 7.543 -12.924 1.00 0.00 C ATOM 2028 C LEU A 135 109.075 8.325 -13.433 1.00 0.00 C ATOM 2029 O LEU A 135 109.173 9.053 -14.422 1.00 0.00 O ATOM 2030 CB LEU A 135 110.251 6.122 -13.492 1.00 0.00 C ATOM 2031 CG LEU A 135 111.561 5.404 -13.161 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.434 3.922 -13.517 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.700 6.021 -13.974 1.00 0.00 C ATOM 0 H LEU A 135 110.249 6.566 -11.062 1.00 0.00 H new ATOM 0 HA LEU A 135 111.188 8.047 -13.259 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.408 5.572 -13.074 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.106 6.155 -14.572 1.00 0.00 H new ATOM 0 HG LEU A 135 111.772 5.509 -12.097 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.367 3.410 -13.281 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.621 3.478 -12.942 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.223 3.820 -14.582 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.633 5.510 -13.739 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.487 5.915 -15.038 1.00 0.00 H new ATOM 0 HD23 LEU A 135 112.793 7.078 -13.726 1.00 0.00 H new ATOM 2045 N ASN A 136 107.935 8.169 -12.765 1.00 0.00 N ATOM 2046 CA ASN A 136 106.729 8.885 -13.163 1.00 0.00 C ATOM 2047 C ASN A 136 106.975 10.389 -13.135 1.00 0.00 C ATOM 2048 O ASN A 136 106.576 11.115 -14.047 1.00 0.00 O ATOM 2049 CB ASN A 136 105.577 8.537 -12.218 1.00 0.00 C ATOM 2050 CG ASN A 136 104.258 9.040 -12.795 1.00 0.00 C ATOM 2051 OD1 ASN A 136 103.843 8.604 -13.870 1.00 0.00 O ATOM 2052 ND2 ASN A 136 103.570 9.936 -12.142 1.00 0.00 N ATOM 0 H ASN A 136 107.822 7.560 -11.955 1.00 0.00 H new ATOM 0 HA ASN A 136 106.466 8.586 -14.178 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.531 7.458 -12.070 1.00 0.00 H new ATOM 0 HB3 ASN A 136 105.750 8.986 -11.240 1.00 0.00 H new ATOM 0 HD21 ASN A 136 102.687 10.277 -12.521 1.00 0.00 H new ATOM 0 HD22 ASN A 136 103.916 10.296 -11.252 1.00 0.00 H new ATOM 2059 N LEU A 137 107.638 10.849 -12.079 1.00 0.00 N ATOM 2060 CA LEU A 137 107.995 12.261 -11.970 1.00 0.00 C ATOM 2061 C LEU A 137 108.970 12.668 -13.073 1.00 0.00 C ATOM 2062 O LEU A 137 108.880 13.770 -13.614 1.00 0.00 O ATOM 2063 CB LEU A 137 108.620 12.542 -10.602 1.00 0.00 C ATOM 2064 CG LEU A 137 107.622 12.193 -9.495 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.302 12.337 -8.132 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.425 13.146 -9.562 1.00 0.00 C ATOM 0 H LEU A 137 107.937 10.272 -11.293 1.00 0.00 H new ATOM 0 HA LEU A 137 107.083 12.848 -12.081 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.531 11.956 -10.481 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.904 13.592 -10.530 1.00 0.00 H new ATOM 0 HG LEU A 137 107.280 11.167 -9.630 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.592 12.089 -7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.155 11.661 -8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.644 13.364 -8.003 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.716 12.896 -8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.769 14.172 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.937 13.050 -10.532 1.00 0.00 H new ATOM 2078 N CYS A 138 109.898 11.777 -13.404 1.00 0.00 N ATOM 2079 CA CYS A 138 110.852 12.040 -14.480 1.00 0.00 C ATOM 2080 C CYS A 138 110.148 12.269 -15.824 1.00 0.00 C ATOM 2081 O CYS A 138 110.694 12.934 -16.704 1.00 0.00 O ATOM 2082 CB CYS A 138 111.822 10.859 -14.613 1.00 0.00 C ATOM 2083 SG CYS A 138 113.213 11.042 -13.466 1.00 0.00 S ATOM 0 H CYS A 138 110.012 10.872 -12.948 1.00 0.00 H new ATOM 0 HA CYS A 138 111.396 12.949 -14.223 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.297 9.926 -14.410 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.193 10.800 -15.636 1.00 0.00 H new ATOM 2088 N GLY A 139 108.941 11.725 -15.988 1.00 0.00 N ATOM 2089 CA GLY A 139 108.199 11.884 -17.236 1.00 0.00 C ATOM 2090 C GLY A 139 108.536 10.801 -18.265 1.00 0.00 C ATOM 2091 O GLY A 139 108.348 11.006 -19.464 1.00 0.00 O ATOM 0 H GLY A 139 108.460 11.174 -15.276 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.130 11.858 -17.024 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.416 12.864 -17.661 1.00 0.00 H new