USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=12 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 -62:sc= 1.2 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.936 K(o=2.1,f=-3.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.913 K(o=-0.91,f=-2.8!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -74:sc= 0.42 USER MOD Single : A 77 HIS : no HD1:sc= -1.31 K(o=-1.3,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 168:sc= 0.0363 USER MOD Single : A 101 ASN : amide:sc= -1.62 K(o=-1.6,f=-5.6!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.057) 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= 0.285 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot -30:sc= -0.805 USER MOD Single : A 136 ASN : amide:sc= -0.022 K(o=-0.022,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 109.166 16.705 -8.102 1.00 0.00 N ATOM 920 CA LYS A 59 109.407 15.902 -6.901 1.00 0.00 C ATOM 921 C LYS A 59 108.130 15.596 -6.111 1.00 0.00 C ATOM 922 O LYS A 59 107.092 16.230 -6.304 1.00 0.00 O ATOM 923 CB LYS A 59 110.442 16.608 -6.012 1.00 0.00 C ATOM 924 CG LYS A 59 109.863 17.896 -5.414 1.00 0.00 C ATOM 925 CD LYS A 59 110.958 18.639 -4.646 1.00 0.00 C ATOM 926 CE LYS A 59 110.327 19.742 -3.795 1.00 0.00 C ATOM 927 NZ LYS A 59 110.004 20.912 -4.660 1.00 0.00 N ATOM 0 HA LYS A 59 109.794 14.937 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.755 15.939 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.331 16.842 -6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 59 109.465 18.530 -6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 59 109.033 17.659 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.507 17.944 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 59 111.677 19.069 -5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 59 109.422 19.372 -3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 59 111.012 20.041 -3.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 109.575 21.663 -4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 110.876 21.269 -5.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 109.336 20.621 -5.402 1.00 0.00 H new ATOM 941 N GLN A 60 108.236 14.611 -5.220 1.00 0.00 N ATOM 942 CA GLN A 60 107.167 14.297 -4.272 1.00 0.00 C ATOM 943 C GLN A 60 107.754 13.875 -2.929 1.00 0.00 C ATOM 944 O GLN A 60 108.866 13.353 -2.866 1.00 0.00 O ATOM 945 CB GLN A 60 106.280 13.155 -4.776 1.00 0.00 C ATOM 946 CG GLN A 60 105.451 13.613 -5.973 1.00 0.00 C ATOM 947 CD GLN A 60 104.480 12.508 -6.381 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.853 11.602 -7.125 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.253 12.512 -5.927 1.00 0.00 N ATOM 0 H GLN A 60 109.058 14.013 -5.135 1.00 0.00 H new ATOM 0 HA GLN A 60 106.567 15.201 -4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.899 12.303 -5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.620 12.818 -3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.900 14.519 -5.721 1.00 0.00 H new ATOM 0 HG3 GLN A 60 106.106 13.861 -6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.940 13.261 -5.310 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.609 11.766 -6.190 1.00 0.00 H new ATOM 958 N ASP A 61 106.997 14.091 -1.860 1.00 0.00 N ATOM 959 CA ASP A 61 107.386 13.584 -0.549 1.00 0.00 C ATOM 960 C ASP A 61 106.738 12.222 -0.322 1.00 0.00 C ATOM 961 O ASP A 61 105.515 12.095 -0.395 1.00 0.00 O ATOM 962 CB ASP A 61 106.944 14.557 0.547 1.00 0.00 C ATOM 963 CG ASP A 61 107.639 15.906 0.377 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.760 15.925 -0.108 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.039 16.905 0.738 1.00 0.00 O ATOM 0 H ASP A 61 106.118 14.609 -1.873 1.00 0.00 H new ATOM 0 HA ASP A 61 108.471 13.484 -0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.863 14.691 0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.179 14.141 1.527 1.00 0.00 H new ATOM 970 N ILE A 62 107.549 11.202 -0.044 1.00 0.00 N ATOM 971 CA ILE A 62 107.030 9.842 0.112 1.00 0.00 C ATOM 972 C ILE A 62 107.457 9.257 1.461 1.00 0.00 C ATOM 973 O ILE A 62 108.558 9.537 1.937 1.00 0.00 O ATOM 974 CB ILE A 62 107.513 8.986 -1.070 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.735 7.668 -1.099 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.018 8.698 -0.986 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.365 7.897 -1.746 1.00 0.00 C ATOM 0 H ILE A 62 108.558 11.288 0.077 1.00 0.00 H new ATOM 0 HA ILE A 62 105.940 9.853 0.106 1.00 0.00 H new ATOM 0 HB ILE A 62 107.333 9.547 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.292 6.917 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.611 7.284 -0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.320 8.091 -1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.569 9.638 -0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.235 8.160 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 62 104.811 6.959 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.808 8.634 -1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.500 8.261 -2.764 1.00 0.00 H new ATOM 989 N SER A 63 106.599 8.436 2.066 1.00 0.00 N ATOM 990 CA SER A 63 106.873 7.938 3.412 1.00 0.00 C ATOM 991 C SER A 63 106.302 6.539 3.639 1.00 0.00 C ATOM 992 O SER A 63 105.427 6.068 2.908 1.00 0.00 O ATOM 993 CB SER A 63 106.286 8.897 4.448 1.00 0.00 C ATOM 994 OG SER A 63 104.869 8.801 4.424 1.00 0.00 O ATOM 0 H SER A 63 105.725 8.107 1.655 1.00 0.00 H new ATOM 0 HA SER A 63 107.956 7.878 3.521 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.662 8.653 5.441 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.597 9.919 4.232 1.00 0.00 H new ATOM 0 HG SER A 63 104.538 9.064 3.540 1.00 0.00 H new ATOM 1000 N GLU A 64 106.804 5.889 4.685 1.00 0.00 N ATOM 1001 CA GLU A 64 106.357 4.549 5.040 1.00 0.00 C ATOM 1002 C GLU A 64 104.846 4.504 5.263 1.00 0.00 C ATOM 1003 O GLU A 64 104.197 3.517 4.921 1.00 0.00 O ATOM 1004 CB GLU A 64 107.079 4.086 6.310 1.00 0.00 C ATOM 1005 CG GLU A 64 106.771 5.042 7.470 1.00 0.00 C ATOM 1006 CD GLU A 64 107.562 4.681 8.732 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.233 3.658 8.748 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.479 5.443 9.682 1.00 0.00 O ATOM 0 H GLU A 64 107.522 6.271 5.301 1.00 0.00 H new ATOM 0 HA GLU A 64 106.596 3.882 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.764 3.075 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.154 4.050 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.009 6.063 7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.704 5.014 7.690 1.00 0.00 H new ATOM 1015 N ALA A 65 104.281 5.579 5.806 1.00 0.00 N ATOM 1016 CA ALA A 65 102.859 5.595 6.132 1.00 0.00 C ATOM 1017 C ALA A 65 102.009 5.348 4.890 1.00 0.00 C ATOM 1018 O ALA A 65 101.054 4.572 4.927 1.00 0.00 O ATOM 1019 CB ALA A 65 102.477 6.945 6.744 1.00 0.00 C ATOM 0 H ALA A 65 104.780 6.441 6.027 1.00 0.00 H new ATOM 0 HA ALA A 65 102.670 4.797 6.850 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.414 6.948 6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.055 7.109 7.654 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.690 7.741 6.031 1.00 0.00 H new ATOM 1025 N ASN A 66 102.358 6.010 3.793 1.00 0.00 N ATOM 1026 CA ASN A 66 101.561 5.915 2.574 1.00 0.00 C ATOM 1027 C ASN A 66 101.672 4.525 1.954 1.00 0.00 C ATOM 1028 O ASN A 66 100.670 3.923 1.570 1.00 0.00 O ATOM 1029 CB ASN A 66 102.020 6.952 1.545 1.00 0.00 C ATOM 1030 CG ASN A 66 102.099 8.346 2.162 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.170 8.778 2.588 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.025 9.082 2.227 1.00 0.00 N ATOM 0 H ASN A 66 103.178 6.612 3.721 1.00 0.00 H new ATOM 0 HA ASN A 66 100.523 6.105 2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 66 102.997 6.670 1.152 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.328 6.963 0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.071 10.017 2.631 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.138 8.723 1.874 1.00 0.00 H new ATOM 1039 N LEU A 67 102.900 4.023 1.852 1.00 0.00 N ATOM 1040 CA LEU A 67 103.137 2.732 1.206 1.00 0.00 C ATOM 1041 C LEU A 67 102.668 1.548 2.051 1.00 0.00 C ATOM 1042 O LEU A 67 102.375 0.483 1.506 1.00 0.00 O ATOM 1043 CB LEU A 67 104.624 2.578 0.871 1.00 0.00 C ATOM 1044 CG LEU A 67 104.938 3.341 -0.421 1.00 0.00 C ATOM 1045 CD1 LEU A 67 104.932 4.845 -0.140 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.308 2.915 -0.969 1.00 0.00 C ATOM 0 H LEU A 67 103.739 4.484 2.204 1.00 0.00 H new ATOM 0 HA LEU A 67 102.545 2.723 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.234 2.961 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.874 1.524 0.753 1.00 0.00 H new ATOM 0 HG LEU A 67 104.177 3.110 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.155 5.388 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 67 103.950 5.143 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.687 5.078 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.519 3.464 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 67 107.079 3.133 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.299 1.846 -1.180 1.00 0.00 H new ATOM 1058 N ALA A 68 102.603 1.718 3.373 1.00 0.00 N ATOM 1059 CA ALA A 68 102.217 0.631 4.276 1.00 0.00 C ATOM 1060 C ALA A 68 103.345 -0.413 4.316 1.00 0.00 C ATOM 1061 O ALA A 68 104.507 -0.044 4.150 1.00 0.00 O ATOM 1062 CB ALA A 68 100.863 0.033 3.848 1.00 0.00 C ATOM 0 H ALA A 68 102.813 2.599 3.843 1.00 0.00 H new ATOM 0 HA ALA A 68 102.079 1.010 5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.590 -0.773 4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.097 0.808 3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.943 -0.359 2.834 1.00 0.00 H new ATOM 1068 N TYR A 69 103.040 -1.700 4.508 1.00 0.00 N ATOM 1069 CA TYR A 69 104.085 -2.722 4.605 1.00 0.00 C ATOM 1070 C TYR A 69 105.017 -2.724 3.385 1.00 0.00 C ATOM 1071 O TYR A 69 106.137 -3.229 3.459 1.00 0.00 O ATOM 1072 CB TYR A 69 103.444 -4.103 4.751 1.00 0.00 C ATOM 1073 CG TYR A 69 102.621 -4.256 6.008 1.00 0.00 C ATOM 1074 CD1 TYR A 69 103.249 -4.551 7.224 1.00 0.00 C ATOM 1075 CD2 TYR A 69 101.230 -4.104 5.958 1.00 0.00 C ATOM 1076 CE1 TYR A 69 102.487 -4.693 8.389 1.00 0.00 C ATOM 1077 CE2 TYR A 69 100.468 -4.247 7.123 1.00 0.00 C ATOM 1078 CZ TYR A 69 101.097 -4.542 8.339 1.00 0.00 C ATOM 1079 OH TYR A 69 100.345 -4.683 9.488 1.00 0.00 O ATOM 0 H TYR A 69 102.088 -2.056 4.598 1.00 0.00 H new ATOM 0 HA TYR A 69 104.687 -2.485 5.482 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.809 -4.293 3.885 1.00 0.00 H new ATOM 0 HB3 TYR A 69 104.227 -4.861 4.745 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.322 -4.669 7.263 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.745 -3.876 5.020 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.972 -4.919 9.327 1.00 0.00 H new ATOM 0 HE2 TYR A 69 99.395 -4.130 7.084 1.00 0.00 H new ATOM 0 HH TYR A 69 99.398 -4.546 9.278 1.00 0.00 H new ATOM 1089 N LEU A 70 104.558 -2.162 2.268 1.00 0.00 N ATOM 1090 CA LEU A 70 105.352 -2.121 1.041 1.00 0.00 C ATOM 1091 C LEU A 70 106.677 -1.373 1.228 1.00 0.00 C ATOM 1092 O LEU A 70 107.627 -1.599 0.477 1.00 0.00 O ATOM 1093 CB LEU A 70 104.546 -1.448 -0.074 1.00 0.00 C ATOM 1094 CG LEU A 70 103.234 -2.205 -0.301 1.00 0.00 C ATOM 1095 CD1 LEU A 70 102.386 -1.455 -1.330 1.00 0.00 C ATOM 1096 CD2 LEU A 70 103.533 -3.611 -0.826 1.00 0.00 C ATOM 0 H LEU A 70 103.639 -1.728 2.187 1.00 0.00 H new ATOM 0 HA LEU A 70 105.587 -3.151 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 70 104.336 -0.412 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 70 105.129 -1.429 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 70 102.693 -2.276 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.452 -1.992 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 70 102.168 -0.453 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 70 102.933 -1.385 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.597 -4.146 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 70 104.076 -3.540 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 70 104.139 -4.150 -0.098 1.00 0.00 H new ATOM 1108 N TRP A 71 106.749 -0.486 2.219 1.00 0.00 N ATOM 1109 CA TRP A 71 107.941 0.329 2.430 1.00 0.00 C ATOM 1110 C TRP A 71 109.178 -0.567 2.593 1.00 0.00 C ATOM 1111 O TRP A 71 109.269 -1.286 3.590 1.00 0.00 O ATOM 1112 CB TRP A 71 107.762 1.160 3.701 1.00 0.00 C ATOM 1113 CG TRP A 71 108.718 2.306 3.804 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.657 2.448 4.766 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.849 3.465 2.931 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.340 3.630 4.552 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.887 4.290 3.428 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.173 3.880 1.773 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.243 5.484 2.792 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.526 5.077 1.131 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.558 5.876 1.638 1.00 0.00 C ATOM 0 H TRP A 71 105.997 -0.315 2.886 1.00 0.00 H new ATOM 0 HA TRP A 71 108.081 0.980 1.567 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.742 1.544 3.734 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.888 0.513 4.569 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.843 1.752 5.570 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.089 3.973 5.153 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.374 3.273 1.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.039 6.097 3.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.998 5.384 0.240 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.825 6.795 1.138 1.00 0.00 H new ATOM 1132 N PRO A 72 110.127 -0.560 1.676 1.00 0.00 N ATOM 1133 CA PRO A 72 111.301 -1.481 1.749 1.00 0.00 C ATOM 1134 C PRO A 72 112.493 -0.916 2.525 1.00 0.00 C ATOM 1135 O PRO A 72 113.436 -1.645 2.827 1.00 0.00 O ATOM 1136 CB PRO A 72 111.664 -1.674 0.279 1.00 0.00 C ATOM 1137 CG PRO A 72 111.348 -0.366 -0.364 1.00 0.00 C ATOM 1138 CD PRO A 72 110.242 0.287 0.470 1.00 0.00 C ATOM 0 HA PRO A 72 111.055 -2.397 2.287 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.717 -1.929 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 72 111.088 -2.484 -0.168 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.232 0.271 -0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 72 111.020 -0.511 -1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.498 1.314 0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.301 0.323 -0.079 1.00 0.00 H new ATOM 1146 N LEU A 73 112.477 0.385 2.806 1.00 0.00 N ATOM 1147 CA LEU A 73 113.626 1.035 3.434 1.00 0.00 C ATOM 1148 C LEU A 73 113.492 1.074 4.953 1.00 0.00 C ATOM 1149 O LEU A 73 112.393 1.204 5.493 1.00 0.00 O ATOM 1150 CB LEU A 73 113.767 2.470 2.922 1.00 0.00 C ATOM 1151 CG LEU A 73 113.856 2.490 1.395 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.911 3.945 0.928 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.121 1.757 0.938 1.00 0.00 C ATOM 0 H LEU A 73 111.691 1.005 2.612 1.00 0.00 H new ATOM 0 HA LEU A 73 114.508 0.450 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.914 3.064 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.658 2.929 3.350 1.00 0.00 H new ATOM 0 HG LEU A 73 112.986 1.992 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.975 3.976 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 73 113.011 4.466 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.787 4.432 1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.179 1.775 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.998 2.250 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.087 0.724 1.283 1.00 0.00 H new ATOM 1165 N THR A 74 114.630 0.958 5.629 1.00 0.00 N ATOM 1166 CA THR A 74 114.679 1.094 7.080 1.00 0.00 C ATOM 1167 C THR A 74 114.426 2.542 7.494 1.00 0.00 C ATOM 1168 O THR A 74 113.784 2.791 8.516 1.00 0.00 O ATOM 1169 CB THR A 74 116.043 0.642 7.605 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.057 1.481 7.069 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.304 -0.808 7.190 1.00 0.00 C ATOM 0 H THR A 74 115.533 0.770 5.194 1.00 0.00 H new ATOM 0 HA THR A 74 113.900 0.464 7.509 1.00 0.00 H new ATOM 0 HB THR A 74 116.051 0.709 8.693 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.203 1.257 6.126 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.277 -1.125 7.566 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.527 -1.451 7.605 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.294 -0.883 6.103 1.00 0.00 H new ATOM 1179 N VAL A 75 114.929 3.496 6.707 1.00 0.00 N ATOM 1180 CA VAL A 75 114.645 4.902 6.973 1.00 0.00 C ATOM 1181 C VAL A 75 113.149 5.125 6.810 1.00 0.00 C ATOM 1182 O VAL A 75 112.564 4.707 5.816 1.00 0.00 O ATOM 1183 CB VAL A 75 115.432 5.825 6.034 1.00 0.00 C ATOM 1184 CG1 VAL A 75 116.922 5.734 6.368 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.222 5.421 4.571 1.00 0.00 C ATOM 0 H VAL A 75 115.523 3.323 5.896 1.00 0.00 H new ATOM 0 HA VAL A 75 114.956 5.145 7.989 1.00 0.00 H new ATOM 0 HB VAL A 75 115.075 6.846 6.171 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.485 6.389 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.083 6.042 7.401 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.262 4.706 6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.790 6.090 3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.564 4.397 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.163 5.489 4.323 1.00 0.00 H new ATOM 1195 N ASP A 76 112.529 5.763 7.793 1.00 0.00 N ATOM 1196 CA ASP A 76 111.072 5.808 7.849 1.00 0.00 C ATOM 1197 C ASP A 76 110.468 6.564 6.672 1.00 0.00 C ATOM 1198 O ASP A 76 109.347 6.256 6.264 1.00 0.00 O ATOM 1199 CB ASP A 76 110.610 6.429 9.170 1.00 0.00 C ATOM 1200 CG ASP A 76 111.063 7.884 9.269 1.00 0.00 C ATOM 1201 OD1 ASP A 76 112.102 8.208 8.716 1.00 0.00 O ATOM 1202 OD2 ASP A 76 110.360 8.656 9.900 1.00 0.00 O ATOM 0 H ASP A 76 113.003 6.251 8.553 1.00 0.00 H new ATOM 0 HA ASP A 76 110.717 4.779 7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 76 109.524 6.375 9.243 1.00 0.00 H new ATOM 0 HB3 ASP A 76 111.014 5.859 10.007 1.00 0.00 H new ATOM 1207 N HIS A 77 111.180 7.556 6.141 1.00 0.00 N ATOM 1208 CA HIS A 77 110.681 8.268 4.970 1.00 0.00 C ATOM 1209 C HIS A 77 111.832 8.791 4.128 1.00 0.00 C ATOM 1210 O HIS A 77 112.997 8.585 4.462 1.00 0.00 O ATOM 1211 CB HIS A 77 109.741 9.409 5.380 1.00 0.00 C ATOM 1212 CG HIS A 77 110.414 10.583 6.038 1.00 0.00 C ATOM 1213 ND1 HIS A 77 110.753 10.588 7.381 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.779 11.818 5.557 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.292 11.787 7.661 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.332 12.577 6.586 1.00 0.00 N ATOM 0 H HIS A 77 112.082 7.878 6.493 1.00 0.00 H new ATOM 0 HA HIS A 77 110.109 7.564 4.365 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.214 9.762 4.493 1.00 0.00 H new ATOM 0 HB3 HIS A 77 108.988 9.012 6.061 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.656 12.149 4.537 1.00 0.00 H new ATOM 0 HE1 HIS A 77 111.650 12.076 8.638 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.690 13.530 6.530 1.00 0.00 H new ATOM 1224 N GLY A 78 111.489 9.400 3.002 1.00 0.00 N ATOM 1225 CA GLY A 78 112.475 10.010 2.128 1.00 0.00 C ATOM 1226 C GLY A 78 111.772 10.802 1.034 1.00 0.00 C ATOM 1227 O GLY A 78 110.575 10.630 0.793 1.00 0.00 O ATOM 0 H GLY A 78 110.527 9.484 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.128 10.667 2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.107 9.241 1.684 1.00 0.00 H new ATOM 1231 N THR A 79 112.508 11.698 0.394 1.00 0.00 N ATOM 1232 CA THR A 79 111.950 12.504 -0.685 1.00 0.00 C ATOM 1233 C THR A 79 112.504 12.034 -2.024 1.00 0.00 C ATOM 1234 O THR A 79 113.685 11.716 -2.134 1.00 0.00 O ATOM 1235 CB THR A 79 112.301 13.976 -0.468 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.172 14.290 0.912 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.331 14.839 -1.276 1.00 0.00 C ATOM 0 H THR A 79 113.489 11.886 0.601 1.00 0.00 H new ATOM 0 HA THR A 79 110.866 12.391 -0.688 1.00 0.00 H new ATOM 0 HB THR A 79 113.325 14.166 -0.790 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.398 15.233 1.055 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.572 15.892 -1.129 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.418 14.591 -2.334 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.311 14.650 -0.942 1.00 0.00 H new ATOM 1245 N ILE A 80 111.655 11.990 -3.044 1.00 0.00 N ATOM 1246 CA ILE A 80 112.076 11.535 -4.367 1.00 0.00 C ATOM 1247 C ILE A 80 112.121 12.713 -5.332 1.00 0.00 C ATOM 1248 O ILE A 80 111.232 13.566 -5.319 1.00 0.00 O ATOM 1249 CB ILE A 80 111.111 10.462 -4.881 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.681 11.018 -4.918 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.167 9.251 -3.947 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.735 9.983 -5.530 1.00 0.00 C ATOM 0 H ILE A 80 110.674 12.262 -2.983 1.00 0.00 H new ATOM 0 HA ILE A 80 113.074 11.103 -4.296 1.00 0.00 H new ATOM 0 HB ILE A 80 111.401 10.165 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.354 11.271 -3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.654 11.938 -5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.483 8.482 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.182 8.853 -3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.877 9.554 -2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.722 10.385 -5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 80 109.057 9.752 -6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.751 9.074 -4.928 1.00 0.00 H new ATOM 1264 N GLU A 81 113.167 12.769 -6.154 1.00 0.00 N ATOM 1265 CA GLU A 81 113.339 13.898 -7.060 1.00 0.00 C ATOM 1266 C GLU A 81 113.955 13.475 -8.390 1.00 0.00 C ATOM 1267 O GLU A 81 114.799 12.579 -8.448 1.00 0.00 O ATOM 1268 CB GLU A 81 114.227 14.956 -6.400 1.00 0.00 C ATOM 1269 CG GLU A 81 114.264 16.220 -7.269 1.00 0.00 C ATOM 1270 CD GLU A 81 115.211 17.282 -6.697 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.838 17.038 -5.677 1.00 0.00 O ATOM 1272 OE2 GLU A 81 115.295 18.340 -7.299 1.00 0.00 O ATOM 0 H GLU A 81 113.896 12.058 -6.210 1.00 0.00 H new ATOM 0 HA GLU A 81 112.351 14.310 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 81 113.845 15.197 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 81 115.236 14.565 -6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 81 114.581 15.957 -8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.259 16.635 -7.348 1.00 0.00 H new ATOM 1279 N CYS A 82 113.504 14.128 -9.457 1.00 0.00 N ATOM 1280 CA CYS A 82 114.090 13.941 -10.779 1.00 0.00 C ATOM 1281 C CYS A 82 114.877 15.187 -11.174 1.00 0.00 C ATOM 1282 O CYS A 82 114.330 16.290 -11.212 1.00 0.00 O ATOM 1283 CB CYS A 82 112.986 13.685 -11.808 1.00 0.00 C ATOM 1284 SG CYS A 82 112.542 11.930 -11.792 1.00 0.00 S ATOM 0 H CYS A 82 112.732 14.794 -9.431 1.00 0.00 H new ATOM 0 HA CYS A 82 114.761 13.082 -10.752 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.112 14.294 -11.579 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.326 13.976 -12.802 1.00 0.00 H new ATOM 1359 N ALA A 88 116.937 9.702 -11.843 1.00 0.00 N ATOM 1360 CA ALA A 88 116.062 9.536 -10.690 1.00 0.00 C ATOM 1361 C ALA A 88 116.876 9.171 -9.455 1.00 0.00 C ATOM 1362 O ALA A 88 117.609 8.180 -9.456 1.00 0.00 O ATOM 1363 CB ALA A 88 115.037 8.434 -10.972 1.00 0.00 C ATOM 0 HA ALA A 88 115.544 10.477 -10.506 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.385 8.314 -10.107 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.439 8.707 -11.842 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.556 7.496 -11.168 1.00 0.00 H new ATOM 1369 N VAL A 89 116.734 9.965 -8.396 1.00 0.00 N ATOM 1370 CA VAL A 89 117.458 9.703 -7.153 1.00 0.00 C ATOM 1371 C VAL A 89 116.535 9.801 -5.940 1.00 0.00 C ATOM 1372 O VAL A 89 115.494 10.460 -5.978 1.00 0.00 O ATOM 1373 CB VAL A 89 118.608 10.700 -6.993 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.602 10.523 -8.142 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.059 12.128 -7.012 1.00 0.00 C ATOM 0 H VAL A 89 116.131 10.787 -8.372 1.00 0.00 H new ATOM 0 HA VAL A 89 117.853 8.688 -7.208 1.00 0.00 H new ATOM 0 HB VAL A 89 119.112 10.518 -6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.421 11.233 -8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 89 119.998 9.508 -8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.097 10.702 -9.091 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.881 12.835 -6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.552 12.310 -7.960 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.353 12.257 -6.192 1.00 0.00 H new ATOM 1385 N PHE A 90 116.955 9.146 -4.863 1.00 0.00 N ATOM 1386 CA PHE A 90 116.211 9.124 -3.608 1.00 0.00 C ATOM 1387 C PHE A 90 116.998 9.847 -2.518 1.00 0.00 C ATOM 1388 O PHE A 90 118.162 9.538 -2.283 1.00 0.00 O ATOM 1389 CB PHE A 90 115.991 7.663 -3.202 1.00 0.00 C ATOM 1390 CG PHE A 90 115.284 7.470 -1.880 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.898 7.643 -1.789 1.00 0.00 C ATOM 1392 CD2 PHE A 90 116.020 7.101 -0.747 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.247 7.444 -0.562 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.371 6.903 0.476 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.985 7.073 0.568 1.00 0.00 C ATOM 0 H PHE A 90 117.824 8.613 -4.835 1.00 0.00 H new ATOM 0 HA PHE A 90 115.254 9.629 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.413 7.167 -3.982 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.959 7.164 -3.156 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.330 7.929 -2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.090 6.969 -0.818 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.178 7.577 -0.490 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.939 6.619 1.349 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.484 6.918 1.512 1.00 0.00 H new ATOM 1405 N VAL A 91 116.367 10.809 -1.856 1.00 0.00 N ATOM 1406 CA VAL A 91 117.014 11.541 -0.770 1.00 0.00 C ATOM 1407 C VAL A 91 116.429 11.091 0.562 1.00 0.00 C ATOM 1408 O VAL A 91 115.213 11.062 0.727 1.00 0.00 O ATOM 1409 CB VAL A 91 116.784 13.047 -0.951 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.478 13.849 0.158 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.343 13.488 -2.305 1.00 0.00 C ATOM 0 H VAL A 91 115.409 11.101 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 91 118.085 11.338 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 91 115.712 13.236 -0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.298 14.913 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.079 13.550 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.550 13.655 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.180 14.558 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.412 13.276 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.836 12.944 -3.102 1.00 0.00 H new ATOM 1421 N ALA A 92 117.295 10.764 1.515 1.00 0.00 N ATOM 1422 CA ALA A 92 116.826 10.337 2.833 1.00 0.00 C ATOM 1423 C ALA A 92 116.906 11.491 3.837 1.00 0.00 C ATOM 1424 O ALA A 92 117.698 12.410 3.643 1.00 0.00 O ATOM 1425 CB ALA A 92 117.677 9.167 3.333 1.00 0.00 C ATOM 0 H ALA A 92 118.309 10.785 1.406 1.00 0.00 H new ATOM 0 HA ALA A 92 115.786 10.022 2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.323 8.853 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.596 8.334 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.719 9.480 3.406 1.00 0.00 H new ATOM 1431 N PRO A 93 116.118 11.476 4.894 1.00 0.00 N ATOM 1432 CA PRO A 93 116.167 12.565 5.920 1.00 0.00 C ATOM 1433 C PRO A 93 117.585 12.890 6.382 1.00 0.00 C ATOM 1434 O PRO A 93 117.864 14.010 6.808 1.00 0.00 O ATOM 1435 CB PRO A 93 115.338 12.028 7.089 1.00 0.00 C ATOM 1436 CG PRO A 93 114.417 11.013 6.503 1.00 0.00 C ATOM 1437 CD PRO A 93 115.077 10.481 5.232 1.00 0.00 C ATOM 0 HA PRO A 93 115.784 13.499 5.509 1.00 0.00 H new ATOM 0 HB2 PRO A 93 115.978 11.582 7.850 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.780 12.829 7.573 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.237 10.203 7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.449 11.459 6.276 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.512 9.495 5.397 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.352 10.379 4.424 1.00 0.00 H new ATOM 1445 N ASP A 94 118.476 11.911 6.296 1.00 0.00 N ATOM 1446 CA ASP A 94 119.852 12.102 6.748 1.00 0.00 C ATOM 1447 C ASP A 94 120.607 13.160 5.929 1.00 0.00 C ATOM 1448 O ASP A 94 121.686 13.595 6.331 1.00 0.00 O ATOM 1449 CB ASP A 94 120.599 10.760 6.694 1.00 0.00 C ATOM 1450 CG ASP A 94 120.506 10.108 5.310 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.080 10.766 4.375 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.875 8.949 5.199 1.00 0.00 O ATOM 0 H ASP A 94 118.276 10.984 5.921 1.00 0.00 H new ATOM 0 HA ASP A 94 119.810 12.470 7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.646 10.917 6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.185 10.084 7.442 1.00 0.00 H new ATOM 1457 N GLY A 95 120.054 13.578 4.789 1.00 0.00 N ATOM 1458 CA GLY A 95 120.731 14.544 3.919 1.00 0.00 C ATOM 1459 C GLY A 95 121.634 13.875 2.871 1.00 0.00 C ATOM 1460 O GLY A 95 122.394 14.556 2.183 1.00 0.00 O ATOM 0 H GLY A 95 119.145 13.266 4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 95 119.984 15.154 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.331 15.218 4.531 1.00 0.00 H new ATOM 1464 N THR A 96 121.554 12.550 2.748 1.00 0.00 N ATOM 1465 CA THR A 96 122.359 11.808 1.793 1.00 0.00 C ATOM 1466 C THR A 96 121.525 11.502 0.560 1.00 0.00 C ATOM 1467 O THR A 96 120.346 11.168 0.673 1.00 0.00 O ATOM 1468 CB THR A 96 122.824 10.495 2.428 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.513 10.774 3.638 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.753 9.748 1.468 1.00 0.00 C ATOM 0 H THR A 96 120.931 11.968 3.307 1.00 0.00 H new ATOM 0 HA THR A 96 123.227 12.404 1.510 1.00 0.00 H new ATOM 0 HB THR A 96 121.955 9.871 2.637 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.810 9.934 4.047 1.00 0.00 H new ATOM 0 HG21 THR A 96 124.079 8.815 1.929 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.220 9.529 0.543 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.623 10.367 1.248 1.00 0.00 H new ATOM 1478 N THR A 97 122.134 11.623 -0.614 1.00 0.00 N ATOM 1479 CA THR A 97 121.436 11.311 -1.854 1.00 0.00 C ATOM 1480 C THR A 97 121.892 9.957 -2.384 1.00 0.00 C ATOM 1481 O THR A 97 123.087 9.674 -2.462 1.00 0.00 O ATOM 1482 CB THR A 97 121.715 12.395 -2.898 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.383 13.666 -2.357 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.872 12.134 -4.147 1.00 0.00 C ATOM 0 H THR A 97 123.099 11.931 -0.733 1.00 0.00 H new ATOM 0 HA THR A 97 120.365 11.273 -1.655 1.00 0.00 H new ATOM 0 HB THR A 97 122.771 12.378 -3.167 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.562 14.362 -3.023 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.072 12.907 -4.889 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.127 11.159 -4.561 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.815 12.150 -3.882 1.00 0.00 H new ATOM 1492 N TYR A 98 120.919 9.130 -2.740 1.00 0.00 N ATOM 1493 CA TYR A 98 121.184 7.801 -3.273 1.00 0.00 C ATOM 1494 C TYR A 98 120.635 7.709 -4.694 1.00 0.00 C ATOM 1495 O TYR A 98 119.672 8.393 -5.030 1.00 0.00 O ATOM 1496 CB TYR A 98 120.494 6.751 -2.400 1.00 0.00 C ATOM 1497 CG TYR A 98 120.911 6.766 -0.945 1.00 0.00 C ATOM 1498 CD1 TYR A 98 122.000 5.996 -0.518 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.200 7.541 -0.019 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.377 6.002 0.832 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.579 7.548 1.330 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.666 6.779 1.757 1.00 0.00 C ATOM 1503 OH TYR A 98 122.040 6.782 3.087 1.00 0.00 O ATOM 0 H TYR A 98 119.928 9.360 -2.668 1.00 0.00 H new ATOM 0 HA TYR A 98 122.259 7.621 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.416 6.902 -2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.699 5.763 -2.813 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.550 5.397 -1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.358 8.134 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.217 5.407 1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 98 120.031 8.148 2.041 1.00 0.00 H new ATOM 0 HH TYR A 98 121.581 7.511 3.554 1.00 0.00 H new ATOM 1513 N ALA A 99 121.237 6.864 -5.521 1.00 0.00 N ATOM 1514 CA ALA A 99 120.786 6.707 -6.900 1.00 0.00 C ATOM 1515 C ALA A 99 119.716 5.624 -7.000 1.00 0.00 C ATOM 1516 O ALA A 99 119.900 4.512 -6.507 1.00 0.00 O ATOM 1517 CB ALA A 99 121.973 6.331 -7.791 1.00 0.00 C ATOM 0 H ALA A 99 122.033 6.280 -5.265 1.00 0.00 H new ATOM 0 HA ALA A 99 120.359 7.653 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.633 6.214 -8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.726 7.117 -7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.406 5.393 -7.444 1.00 0.00 H new ATOM 1523 N LEU A 100 118.598 5.956 -7.640 1.00 0.00 N ATOM 1524 CA LEU A 100 117.525 4.988 -7.828 1.00 0.00 C ATOM 1525 C LEU A 100 117.746 4.199 -9.112 1.00 0.00 C ATOM 1526 O LEU A 100 117.727 2.968 -9.108 1.00 0.00 O ATOM 1527 CB LEU A 100 116.171 5.695 -7.914 1.00 0.00 C ATOM 1528 CG LEU A 100 115.733 6.168 -6.530 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.677 7.264 -6.688 1.00 0.00 C ATOM 1530 CD2 LEU A 100 115.125 4.990 -5.765 1.00 0.00 C ATOM 0 H LEU A 100 118.414 6.879 -8.033 1.00 0.00 H new ATOM 0 HA LEU A 100 117.529 4.312 -6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.239 6.546 -8.592 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.424 5.017 -8.328 1.00 0.00 H new ATOM 0 HG LEU A 100 116.592 6.558 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.359 7.607 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.101 8.100 -7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.818 6.866 -7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.810 5.322 -4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.262 4.608 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.869 4.200 -5.663 1.00 0.00 H new ATOM 1542 N ASN A 101 117.955 4.921 -10.211 1.00 0.00 N ATOM 1543 CA ASN A 101 118.087 4.279 -11.521 1.00 0.00 C ATOM 1544 C ASN A 101 119.542 4.221 -11.985 1.00 0.00 C ATOM 1545 O ASN A 101 120.426 4.866 -11.420 1.00 0.00 O ATOM 1546 CB ASN A 101 117.209 4.998 -12.556 1.00 0.00 C ATOM 1547 CG ASN A 101 117.746 6.386 -12.893 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.761 6.817 -12.349 1.00 0.00 O ATOM 1549 ND2 ASN A 101 117.118 7.116 -13.773 1.00 0.00 N ATOM 0 H ASN A 101 118.036 5.938 -10.224 1.00 0.00 H new ATOM 0 HA ASN A 101 117.743 3.249 -11.422 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.155 4.399 -13.465 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.193 5.086 -12.172 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.469 8.044 -14.010 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.276 6.759 -14.224 1.00 0.00 H new ATOM 1556 N ASP A 102 119.780 3.435 -13.030 1.00 0.00 N ATOM 1557 CA ASP A 102 121.137 3.164 -13.488 1.00 0.00 C ATOM 1558 C ASP A 102 121.905 4.448 -13.790 1.00 0.00 C ATOM 1559 O ASP A 102 123.088 4.552 -13.471 1.00 0.00 O ATOM 1560 CB ASP A 102 121.093 2.293 -14.746 1.00 0.00 C ATOM 1561 CG ASP A 102 120.501 0.921 -14.430 1.00 0.00 C ATOM 1562 OD1 ASP A 102 120.670 0.461 -13.311 1.00 0.00 O ATOM 1563 OD2 ASP A 102 119.886 0.349 -15.314 1.00 0.00 O ATOM 0 H ASP A 102 119.051 2.975 -13.575 1.00 0.00 H new ATOM 0 HA ASP A 102 121.657 2.642 -12.685 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.496 2.784 -15.514 1.00 0.00 H new ATOM 0 HB3 ASP A 102 122.099 2.177 -15.150 1.00 0.00 H new ATOM 1568 N ARG A 103 121.241 5.425 -14.400 1.00 0.00 N ATOM 1569 CA ARG A 103 121.920 6.653 -14.802 1.00 0.00 C ATOM 1570 C ARG A 103 122.456 7.414 -13.590 1.00 0.00 C ATOM 1571 O ARG A 103 123.585 7.905 -13.607 1.00 0.00 O ATOM 1572 CB ARG A 103 120.972 7.523 -15.628 1.00 0.00 C ATOM 1573 CG ARG A 103 120.697 6.812 -16.956 1.00 0.00 C ATOM 1574 CD ARG A 103 119.838 7.694 -17.863 1.00 0.00 C ATOM 1575 NE ARG A 103 118.568 8.010 -17.209 1.00 0.00 N ATOM 1576 CZ ARG A 103 117.584 7.117 -17.032 1.00 0.00 C ATOM 1577 NH1 ARG A 103 117.689 5.870 -17.419 1.00 0.00 N ATOM 1578 NH2 ARG A 103 116.485 7.515 -16.454 1.00 0.00 N ATOM 0 H ARG A 103 120.247 5.393 -14.625 1.00 0.00 H new ATOM 0 HA ARG A 103 122.779 6.389 -15.420 1.00 0.00 H new ATOM 0 HB2 ARG A 103 120.041 7.689 -15.087 1.00 0.00 H new ATOM 0 HB3 ARG A 103 121.415 8.503 -15.807 1.00 0.00 H new ATOM 0 HG2 ARG A 103 121.639 6.577 -17.452 1.00 0.00 H new ATOM 0 HG3 ARG A 103 120.189 5.865 -16.771 1.00 0.00 H new ATOM 0 HD2 ARG A 103 120.372 8.614 -18.099 1.00 0.00 H new ATOM 0 HD3 ARG A 103 119.651 7.183 -18.808 1.00 0.00 H new ATOM 0 HE ARG A 103 118.424 8.961 -16.869 1.00 0.00 H new ATOM 0 HH11 ARG A 103 118.543 5.547 -17.874 1.00 0.00 H new ATOM 0 HH12 ARG A 103 116.917 5.222 -17.266 1.00 0.00 H new ATOM 0 HH21 ARG A 103 116.391 8.484 -16.150 1.00 0.00 H new ATOM 0 HH22 ARG A 103 115.719 6.857 -16.306 1.00 0.00 H new ATOM 1592 N ALA A 104 121.667 7.478 -12.523 1.00 0.00 N ATOM 1593 CA ALA A 104 122.119 8.116 -11.289 1.00 0.00 C ATOM 1594 C ALA A 104 123.368 7.421 -10.743 1.00 0.00 C ATOM 1595 O ALA A 104 124.266 8.070 -10.197 1.00 0.00 O ATOM 1596 CB ALA A 104 121.003 8.075 -10.244 1.00 0.00 C ATOM 0 H ALA A 104 120.720 7.100 -12.485 1.00 0.00 H new ATOM 0 HA ALA A 104 122.371 9.153 -11.510 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.346 8.552 -9.326 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.129 8.605 -10.624 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.737 7.039 -10.036 1.00 0.00 H new ATOM 1602 N GLU A 105 123.416 6.095 -10.866 1.00 0.00 N ATOM 1603 CA GLU A 105 124.603 5.349 -10.459 1.00 0.00 C ATOM 1604 C GLU A 105 125.805 5.758 -11.308 1.00 0.00 C ATOM 1605 O GLU A 105 126.907 5.942 -10.794 1.00 0.00 O ATOM 1606 CB GLU A 105 124.360 3.845 -10.600 1.00 0.00 C ATOM 1607 CG GLU A 105 123.231 3.417 -9.654 1.00 0.00 C ATOM 1608 CD GLU A 105 122.999 1.903 -9.692 1.00 0.00 C ATOM 1609 OE1 GLU A 105 123.549 1.236 -10.557 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.265 1.426 -8.843 1.00 0.00 O ATOM 0 H GLU A 105 122.658 5.523 -11.239 1.00 0.00 H new ATOM 0 HA GLU A 105 124.812 5.579 -9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 105 124.097 3.604 -11.630 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.272 3.295 -10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 105 123.475 3.722 -8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 105 122.311 3.933 -9.930 1.00 0.00 H new ATOM 1617 N LYS A 106 125.582 5.939 -12.605 1.00 0.00 N ATOM 1618 CA LYS A 106 126.641 6.401 -13.503 1.00 0.00 C ATOM 1619 C LYS A 106 127.199 7.755 -13.055 1.00 0.00 C ATOM 1620 O LYS A 106 128.389 8.029 -13.215 1.00 0.00 O ATOM 1621 CB LYS A 106 126.097 6.517 -14.929 1.00 0.00 C ATOM 1622 CG LYS A 106 127.241 6.846 -15.892 1.00 0.00 C ATOM 1623 CD LYS A 106 126.682 7.043 -17.303 1.00 0.00 C ATOM 1624 CE LYS A 106 127.837 7.216 -18.290 1.00 0.00 C ATOM 1625 NZ LYS A 106 127.293 7.505 -19.646 1.00 0.00 N ATOM 0 H LYS A 106 124.683 5.775 -13.059 1.00 0.00 H new ATOM 0 HA LYS A 106 127.450 5.672 -13.474 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.618 5.583 -15.223 1.00 0.00 H new ATOM 0 HB3 LYS A 106 125.334 7.294 -14.976 1.00 0.00 H new ATOM 0 HG2 LYS A 106 127.757 7.749 -15.565 1.00 0.00 H new ATOM 0 HG3 LYS A 106 127.975 6.040 -15.890 1.00 0.00 H new ATOM 0 HD2 LYS A 106 126.072 6.185 -17.587 1.00 0.00 H new ATOM 0 HD3 LYS A 106 126.033 7.918 -17.330 1.00 0.00 H new ATOM 0 HE2 LYS A 106 128.487 8.029 -17.967 1.00 0.00 H new ATOM 0 HE3 LYS A 106 128.446 6.312 -18.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 128.079 7.623 -20.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 126.690 6.716 -19.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 126.730 8.379 -19.615 1.00 0.00 H new ATOM 1639 N ALA A 107 126.333 8.596 -12.495 1.00 0.00 N ATOM 1640 CA ALA A 107 126.741 9.909 -11.988 1.00 0.00 C ATOM 1641 C ALA A 107 127.551 9.827 -10.684 1.00 0.00 C ATOM 1642 O ALA A 107 127.926 10.858 -10.127 1.00 0.00 O ATOM 1643 CB ALA A 107 125.501 10.774 -11.754 1.00 0.00 C ATOM 0 H ALA A 107 125.340 8.393 -12.379 1.00 0.00 H new ATOM 0 HA ALA A 107 127.389 10.352 -12.744 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.805 11.751 -11.377 1.00 0.00 H new ATOM 0 HB2 ALA A 107 124.962 10.899 -12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.852 10.289 -11.025 1.00 0.00 H new ATOM 1649 N GLY A 108 127.821 8.617 -10.195 1.00 0.00 N ATOM 1650 CA GLY A 108 128.629 8.440 -8.994 1.00 0.00 C ATOM 1651 C GLY A 108 127.853 8.691 -7.702 1.00 0.00 C ATOM 1652 O GLY A 108 128.454 9.007 -6.675 1.00 0.00 O ATOM 0 H GLY A 108 127.491 7.747 -10.613 1.00 0.00 H new ATOM 0 HA2 GLY A 108 129.028 7.426 -8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.482 9.117 -9.035 1.00 0.00 H new ATOM 1656 N HIS A 109 126.527 8.556 -7.747 1.00 0.00 N ATOM 1657 CA HIS A 109 125.733 8.620 -6.524 1.00 0.00 C ATOM 1658 C HIS A 109 125.708 7.236 -5.865 1.00 0.00 C ATOM 1659 O HIS A 109 125.657 6.232 -6.578 1.00 0.00 O ATOM 1660 CB HIS A 109 124.308 9.073 -6.848 1.00 0.00 C ATOM 1661 CG HIS A 109 124.150 10.569 -6.875 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.331 11.353 -5.747 1.00 0.00 N ATOM 1663 CD2 HIS A 109 123.826 11.440 -7.888 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.118 12.631 -6.101 1.00 0.00 C ATOM 1665 NE2 HIS A 109 123.807 12.743 -7.396 1.00 0.00 N ATOM 0 H HIS A 109 125.990 8.405 -8.601 1.00 0.00 H new ATOM 0 HA HIS A 109 126.180 9.340 -5.838 1.00 0.00 H new ATOM 0 HB2 HIS A 109 124.016 8.666 -7.816 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.625 8.656 -6.108 1.00 0.00 H new ATOM 0 HD2 HIS A 109 123.618 11.157 -8.909 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.189 13.467 -5.421 1.00 0.00 H new ATOM 0 HE2 HIS A 109 123.600 13.598 -7.912 1.00 0.00 H new ATOM 1673 N PRO A 110 125.738 7.139 -4.549 1.00 0.00 N ATOM 1674 CA PRO A 110 125.774 5.807 -3.869 1.00 0.00 C ATOM 1675 C PRO A 110 124.420 5.091 -3.940 1.00 0.00 C ATOM 1676 O PRO A 110 123.393 5.759 -4.015 1.00 0.00 O ATOM 1677 CB PRO A 110 126.138 6.140 -2.421 1.00 0.00 C ATOM 1678 CG PRO A 110 125.638 7.527 -2.205 1.00 0.00 C ATOM 1679 CD PRO A 110 125.717 8.233 -3.558 1.00 0.00 C ATOM 0 HA PRO A 110 126.483 5.127 -4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.673 5.440 -1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.214 6.079 -2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 110 124.614 7.516 -1.832 1.00 0.00 H new ATOM 0 HG3 PRO A 110 126.243 8.046 -1.461 1.00 0.00 H new ATOM 0 HD2 PRO A 110 124.862 8.891 -3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 110 126.612 8.851 -3.631 1.00 0.00 H new ATOM 1687 N PRO A 111 124.381 3.773 -3.938 1.00 0.00 N ATOM 1688 CA PRO A 111 123.080 3.033 -3.993 1.00 0.00 C ATOM 1689 C PRO A 111 122.333 3.041 -2.658 1.00 0.00 C ATOM 1690 O PRO A 111 122.947 3.128 -1.595 1.00 0.00 O ATOM 1691 CB PRO A 111 123.477 1.611 -4.399 1.00 0.00 C ATOM 1692 CG PRO A 111 124.898 1.444 -3.975 1.00 0.00 C ATOM 1693 CD PRO A 111 125.524 2.837 -3.919 1.00 0.00 C ATOM 0 HA PRO A 111 122.386 3.499 -4.692 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.836 0.874 -3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 111 123.371 1.468 -5.474 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.953 0.959 -3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 111 125.437 0.809 -4.678 1.00 0.00 H new ATOM 0 HD2 PRO A 111 126.123 2.964 -3.017 1.00 0.00 H new ATOM 0 HD3 PRO A 111 126.186 3.006 -4.768 1.00 0.00 H new ATOM 1701 N ILE A 112 121.004 2.949 -2.722 1.00 0.00 N ATOM 1702 CA ILE A 112 120.177 2.951 -1.511 1.00 0.00 C ATOM 1703 C ILE A 112 120.484 1.753 -0.596 1.00 0.00 C ATOM 1704 O ILE A 112 120.100 1.776 0.571 1.00 0.00 O ATOM 1705 CB ILE A 112 118.677 2.980 -1.880 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.382 4.256 -2.676 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.804 2.984 -0.614 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.952 4.233 -3.226 1.00 0.00 C ATOM 0 H ILE A 112 120.478 2.873 -3.593 1.00 0.00 H new ATOM 0 HA ILE A 112 120.423 3.855 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 112 118.448 2.093 -2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.517 5.129 -2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 112 119.092 4.350 -3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.752 3.005 -0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 112 118.005 2.086 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 112 118.036 3.865 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.763 5.148 -3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.829 3.372 -3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.245 4.163 -2.399 1.00 0.00 H new ATOM 1720 N THR A 113 121.210 0.745 -1.080 1.00 0.00 N ATOM 1721 CA THR A 113 121.377 -0.497 -0.324 1.00 0.00 C ATOM 1722 C THR A 113 121.739 -0.326 1.164 1.00 0.00 C ATOM 1723 O THR A 113 121.230 -1.125 1.952 1.00 0.00 O ATOM 1724 CB THR A 113 122.354 -1.464 -1.011 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.601 -2.567 -0.151 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.681 -0.784 -1.341 1.00 0.00 C ATOM 0 H THR A 113 121.687 0.762 -1.981 1.00 0.00 H new ATOM 0 HA THR A 113 120.378 -0.933 -0.327 1.00 0.00 H new ATOM 0 HB THR A 113 121.900 -1.796 -1.944 1.00 0.00 H new ATOM 0 HG1 THR A 113 123.223 -3.188 -0.585 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.346 -1.499 -1.826 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.502 0.057 -2.011 1.00 0.00 H new ATOM 0 HG23 THR A 113 124.144 -0.424 -0.422 1.00 0.00 H new ATOM 1734 N PRO A 114 122.522 0.651 1.612 1.00 0.00 N ATOM 1735 CA PRO A 114 122.870 0.739 3.073 1.00 0.00 C ATOM 1736 C PRO A 114 121.626 0.849 3.953 1.00 0.00 C ATOM 1737 O PRO A 114 121.600 0.337 5.072 1.00 0.00 O ATOM 1738 CB PRO A 114 123.747 1.989 3.198 1.00 0.00 C ATOM 1739 CG PRO A 114 124.256 2.239 1.823 1.00 0.00 C ATOM 1740 CD PRO A 114 123.138 1.786 0.890 1.00 0.00 C ATOM 0 HA PRO A 114 123.383 -0.161 3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.173 2.839 3.567 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.566 1.828 3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.488 3.294 1.675 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.174 1.682 1.636 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.418 2.584 0.709 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.526 1.480 -0.082 1.00 0.00 H new ATOM 1748 N ILE A 115 120.595 1.519 3.441 1.00 0.00 N ATOM 1749 CA ILE A 115 119.328 1.659 4.171 1.00 0.00 C ATOM 1750 C ILE A 115 118.255 0.660 3.715 1.00 0.00 C ATOM 1751 O ILE A 115 117.110 0.760 4.144 1.00 0.00 O ATOM 1752 CB ILE A 115 118.769 3.087 4.045 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.750 3.542 2.576 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.619 4.046 4.883 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.934 4.832 2.430 1.00 0.00 C ATOM 0 H ILE A 115 120.608 1.973 2.528 1.00 0.00 H new ATOM 0 HA ILE A 115 119.565 1.442 5.213 1.00 0.00 H new ATOM 0 HB ILE A 115 117.743 3.094 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.769 3.706 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.321 2.759 1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.222 5.057 4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.592 3.737 5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.648 4.027 4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.929 5.143 1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.911 4.655 2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.382 5.617 3.040 1.00 0.00 H new ATOM 1767 N ARG A 116 118.606 -0.298 2.861 1.00 0.00 N ATOM 1768 CA ARG A 116 117.643 -1.279 2.369 1.00 0.00 C ATOM 1769 C ARG A 116 117.370 -2.345 3.428 1.00 0.00 C ATOM 1770 O ARG A 116 118.278 -2.760 4.149 1.00 0.00 O ATOM 1771 CB ARG A 116 118.204 -1.934 1.105 1.00 0.00 C ATOM 1772 CG ARG A 116 117.175 -2.888 0.498 1.00 0.00 C ATOM 1773 CD ARG A 116 117.783 -3.557 -0.736 1.00 0.00 C ATOM 1774 NE ARG A 116 116.792 -4.402 -1.404 1.00 0.00 N ATOM 1775 CZ ARG A 116 116.825 -4.690 -2.714 1.00 0.00 C ATOM 1776 NH1 ARG A 116 117.755 -4.220 -3.511 1.00 0.00 N ATOM 1777 NH2 ARG A 116 115.902 -5.465 -3.214 1.00 0.00 N ATOM 0 H ARG A 116 119.551 -0.416 2.495 1.00 0.00 H new ATOM 0 HA ARG A 116 116.703 -0.775 2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.471 -1.167 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 116 119.117 -2.478 1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.883 -3.642 1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 116 116.272 -2.343 0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 116 118.146 -2.796 -1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 116 118.644 -4.158 -0.444 1.00 0.00 H new ATOM 0 HE ARG A 116 116.035 -4.793 -0.843 1.00 0.00 H new ATOM 0 HH11 ARG A 116 118.486 -3.613 -3.140 1.00 0.00 H new ATOM 0 HH12 ARG A 116 117.747 -4.461 -4.502 1.00 0.00 H new ATOM 0 HH21 ARG A 116 115.171 -5.842 -2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 116 115.912 -5.694 -4.208 1.00 0.00 H new ATOM 1791 N ALA A 117 116.119 -2.785 3.519 1.00 0.00 N ATOM 1792 CA ALA A 117 115.736 -3.772 4.521 1.00 0.00 C ATOM 1793 C ALA A 117 115.880 -5.193 3.987 1.00 0.00 C ATOM 1794 O ALA A 117 115.542 -5.479 2.838 1.00 0.00 O ATOM 1795 CB ALA A 117 114.282 -3.545 4.936 1.00 0.00 C ATOM 0 H ALA A 117 115.358 -2.476 2.915 1.00 0.00 H new ATOM 0 HA ALA A 117 116.400 -3.653 5.377 1.00 0.00 H new ATOM 0 HB1 ALA A 117 113.998 -4.284 5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.175 -2.544 5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.635 -3.645 4.064 1.00 0.00 H new ATOM 1883 N ILE A 125 114.327 -6.904 0.235 1.00 0.00 N ATOM 1884 CA ILE A 125 113.030 -6.387 -0.185 1.00 0.00 C ATOM 1885 C ILE A 125 113.198 -5.445 -1.377 1.00 0.00 C ATOM 1886 O ILE A 125 113.989 -4.503 -1.336 1.00 0.00 O ATOM 1887 CB ILE A 125 112.367 -5.681 1.007 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.158 -6.694 2.141 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.004 -5.109 0.605 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.903 -5.965 3.462 1.00 0.00 C ATOM 0 HA ILE A 125 112.386 -7.205 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 125 113.015 -4.868 1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.314 -7.343 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.036 -7.333 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.550 -4.613 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.135 -4.389 -0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.355 -5.918 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.756 -6.695 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.760 -5.335 3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 125 111.011 -5.345 3.369 1.00 0.00 H new ATOM 1902 N SER A 126 112.432 -5.708 -2.432 1.00 0.00 N ATOM 1903 CA SER A 126 112.572 -4.978 -3.689 1.00 0.00 C ATOM 1904 C SER A 126 112.282 -3.491 -3.526 1.00 0.00 C ATOM 1905 O SER A 126 111.367 -3.092 -2.806 1.00 0.00 O ATOM 1906 CB SER A 126 111.617 -5.565 -4.729 1.00 0.00 C ATOM 1907 OG SER A 126 111.921 -6.940 -4.918 1.00 0.00 O ATOM 0 H SER A 126 111.705 -6.424 -2.441 1.00 0.00 H new ATOM 0 HA SER A 126 113.607 -5.083 -4.016 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.585 -5.450 -4.398 1.00 0.00 H new ATOM 0 HB3 SER A 126 111.711 -5.026 -5.672 1.00 0.00 H new ATOM 0 HG SER A 126 111.310 -7.322 -5.583 1.00 0.00 H new ATOM 1913 N LEU A 127 113.082 -2.683 -4.214 1.00 0.00 N ATOM 1914 CA LEU A 127 112.828 -1.243 -4.308 1.00 0.00 C ATOM 1915 C LEU A 127 112.033 -0.873 -5.573 1.00 0.00 C ATOM 1916 O LEU A 127 111.854 0.308 -5.865 1.00 0.00 O ATOM 1917 CB LEU A 127 114.158 -0.479 -4.328 1.00 0.00 C ATOM 1918 CG LEU A 127 115.015 -0.847 -3.112 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.355 -0.114 -3.194 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.296 -0.432 -1.827 1.00 0.00 C ATOM 0 H LEU A 127 113.913 -2.997 -4.716 1.00 0.00 H new ATOM 0 HA LEU A 127 112.235 -0.967 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.701 -0.709 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.966 0.594 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 127 115.182 -1.924 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.966 -0.375 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.874 -0.406 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.181 0.962 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.909 -0.696 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 127 114.127 0.645 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.339 -0.949 -1.763 1.00 0.00 H new ATOM 1932 N GLY A 128 111.558 -1.865 -6.329 1.00 0.00 N ATOM 1933 CA GLY A 128 110.904 -1.607 -7.610 1.00 0.00 C ATOM 1934 C GLY A 128 109.829 -0.525 -7.514 1.00 0.00 C ATOM 1935 O GLY A 128 109.774 0.370 -8.357 1.00 0.00 O ATOM 0 H GLY A 128 111.615 -2.851 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.653 -1.305 -8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.454 -2.530 -7.976 1.00 0.00 H new ATOM 1939 N ALA A 129 108.992 -0.591 -6.483 1.00 0.00 N ATOM 1940 CA ALA A 129 107.890 0.359 -6.355 1.00 0.00 C ATOM 1941 C ALA A 129 108.415 1.790 -6.291 1.00 0.00 C ATOM 1942 O ALA A 129 107.941 2.672 -7.009 1.00 0.00 O ATOM 1943 CB ALA A 129 107.081 0.052 -5.092 1.00 0.00 C ATOM 0 H ALA A 129 109.053 -1.281 -5.734 1.00 0.00 H new ATOM 0 HA ALA A 129 107.249 0.261 -7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.261 0.764 -5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.678 -0.959 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.727 0.132 -4.218 1.00 0.00 H new ATOM 1949 N LEU A 130 109.420 2.009 -5.452 1.00 0.00 N ATOM 1950 CA LEU A 130 109.981 3.343 -5.286 1.00 0.00 C ATOM 1951 C LEU A 130 110.520 3.864 -6.615 1.00 0.00 C ATOM 1952 O LEU A 130 110.306 5.022 -6.976 1.00 0.00 O ATOM 1953 CB LEU A 130 111.104 3.296 -4.248 1.00 0.00 C ATOM 1954 CG LEU A 130 111.623 4.709 -3.979 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.551 5.518 -3.247 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.879 4.625 -3.108 1.00 0.00 C ATOM 0 H LEU A 130 109.860 1.287 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 130 109.197 4.019 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.737 2.851 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.916 2.663 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 130 111.861 5.197 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.922 6.525 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.653 5.573 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.313 5.033 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.254 5.630 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.635 4.139 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.644 4.047 -3.627 1.00 0.00 H new ATOM 1968 N LEU A 131 111.196 2.993 -7.356 1.00 0.00 N ATOM 1969 CA LEU A 131 111.776 3.387 -8.635 1.00 0.00 C ATOM 1970 C LEU A 131 110.688 3.866 -9.588 1.00 0.00 C ATOM 1971 O LEU A 131 110.841 4.892 -10.247 1.00 0.00 O ATOM 1972 CB LEU A 131 112.527 2.202 -9.250 1.00 0.00 C ATOM 1973 CG LEU A 131 113.222 2.630 -10.545 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.398 3.553 -10.217 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.742 1.390 -11.276 1.00 0.00 C ATOM 0 H LEU A 131 111.355 2.019 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 131 112.474 4.207 -8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.264 1.822 -8.542 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.832 1.388 -9.454 1.00 0.00 H new ATOM 0 HG LEU A 131 112.511 3.159 -11.179 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.891 3.856 -11.141 1.00 0.00 H new ATOM 0 HD12 LEU A 131 114.032 4.437 -9.694 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.109 3.024 -9.583 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.237 1.693 -12.199 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.452 0.863 -10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.907 0.730 -11.512 1.00 0.00 H new ATOM 1987 N SER A 132 109.578 3.138 -9.636 1.00 0.00 N ATOM 1988 CA SER A 132 108.502 3.477 -10.558 1.00 0.00 C ATOM 1989 C SER A 132 107.987 4.886 -10.288 1.00 0.00 C ATOM 1990 O SER A 132 107.785 5.670 -11.216 1.00 0.00 O ATOM 1991 CB SER A 132 107.354 2.477 -10.415 1.00 0.00 C ATOM 1992 OG SER A 132 107.859 1.159 -10.593 1.00 0.00 O ATOM 0 H SER A 132 109.401 2.319 -9.055 1.00 0.00 H new ATOM 0 HA SER A 132 108.896 3.435 -11.574 1.00 0.00 H new ATOM 0 HB2 SER A 132 106.892 2.573 -9.432 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.580 2.686 -11.153 1.00 0.00 H new ATOM 0 HG SER A 132 108.340 0.881 -9.786 1.00 0.00 H new ATOM 1998 N THR A 133 107.814 5.216 -9.013 1.00 0.00 N ATOM 1999 CA THR A 133 107.284 6.527 -8.650 1.00 0.00 C ATOM 2000 C THR A 133 108.201 7.635 -9.158 1.00 0.00 C ATOM 2001 O THR A 133 107.748 8.590 -9.796 1.00 0.00 O ATOM 2002 CB THR A 133 107.143 6.631 -7.129 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.370 5.538 -6.653 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.449 7.945 -6.765 1.00 0.00 C ATOM 0 H THR A 133 108.029 4.606 -8.224 1.00 0.00 H new ATOM 0 HA THR A 133 106.304 6.643 -9.113 1.00 0.00 H new ATOM 0 HB THR A 133 108.131 6.607 -6.670 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.279 5.601 -5.679 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.350 8.016 -5.682 1.00 0.00 H new ATOM 0 HG22 THR A 133 107.042 8.783 -7.131 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.460 7.973 -7.222 1.00 0.00 H new ATOM 2012 N THR A 134 109.497 7.487 -8.906 1.00 0.00 N ATOM 2013 CA THR A 134 110.452 8.517 -9.302 1.00 0.00 C ATOM 2014 C THR A 134 110.469 8.685 -10.819 1.00 0.00 C ATOM 2015 O THR A 134 110.528 9.805 -11.325 1.00 0.00 O ATOM 2016 CB THR A 134 111.852 8.172 -8.796 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.779 7.844 -7.415 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.771 9.381 -8.982 1.00 0.00 C ATOM 0 H THR A 134 109.906 6.679 -8.437 1.00 0.00 H new ATOM 0 HA THR A 134 110.139 9.460 -8.853 1.00 0.00 H new ATOM 0 HB THR A 134 112.248 7.325 -9.356 1.00 0.00 H new ATOM 0 HG1 THR A 134 111.043 8.341 -6.999 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.770 9.137 -8.622 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.820 9.642 -10.039 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.378 10.227 -8.418 1.00 0.00 H new ATOM 2026 N LEU A 135 110.397 7.574 -11.547 1.00 0.00 N ATOM 2027 CA LEU A 135 110.405 7.626 -13.005 1.00 0.00 C ATOM 2028 C LEU A 135 109.215 8.422 -13.529 1.00 0.00 C ATOM 2029 O LEU A 135 109.341 9.172 -14.498 1.00 0.00 O ATOM 2030 CB LEU A 135 110.370 6.210 -13.583 1.00 0.00 C ATOM 2031 CG LEU A 135 111.671 5.481 -13.241 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.535 3.999 -13.596 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.821 6.088 -14.047 1.00 0.00 C ATOM 0 H LEU A 135 110.333 6.635 -11.155 1.00 0.00 H new ATOM 0 HA LEU A 135 111.322 8.124 -13.320 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.518 5.663 -13.179 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.238 6.251 -14.664 1.00 0.00 H new ATOM 0 HG LEU A 135 111.874 5.585 -12.175 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.462 3.480 -13.352 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.714 3.562 -13.027 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.332 3.897 -14.662 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.749 5.570 -13.804 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.614 5.983 -15.112 1.00 0.00 H new ATOM 0 HD23 LEU A 135 112.921 7.145 -13.800 1.00 0.00 H new ATOM 2045 N ASN A 136 108.059 8.257 -12.892 1.00 0.00 N ATOM 2046 CA ASN A 136 106.866 8.986 -13.304 1.00 0.00 C ATOM 2047 C ASN A 136 107.112 10.490 -13.228 1.00 0.00 C ATOM 2048 O ASN A 136 106.726 11.239 -14.124 1.00 0.00 O ATOM 2049 CB ASN A 136 105.686 8.613 -12.403 1.00 0.00 C ATOM 2050 CG ASN A 136 105.344 7.135 -12.566 1.00 0.00 C ATOM 2051 OD1 ASN A 136 105.659 6.528 -13.591 1.00 0.00 O ATOM 2052 ND2 ASN A 136 104.713 6.513 -11.607 1.00 0.00 N ATOM 0 H ASN A 136 107.924 7.632 -12.097 1.00 0.00 H new ATOM 0 HA ASN A 136 106.632 8.716 -14.334 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.933 8.824 -11.362 1.00 0.00 H new ATOM 0 HB3 ASN A 136 104.819 9.224 -12.655 1.00 0.00 H new ATOM 0 HD21 ASN A 136 104.481 5.525 -11.706 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.452 7.015 -10.758 1.00 0.00 H new ATOM 2059 N LEU A 137 107.758 10.920 -12.149 1.00 0.00 N ATOM 2060 CA LEU A 137 108.105 12.330 -11.991 1.00 0.00 C ATOM 2061 C LEU A 137 109.085 12.781 -13.072 1.00 0.00 C ATOM 2062 O LEU A 137 108.991 13.900 -13.576 1.00 0.00 O ATOM 2063 CB LEU A 137 108.716 12.570 -10.609 1.00 0.00 C ATOM 2064 CG LEU A 137 107.719 12.161 -9.521 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.385 12.283 -8.149 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.499 13.084 -9.569 1.00 0.00 C ATOM 0 H LEU A 137 108.050 10.320 -11.377 1.00 0.00 H new ATOM 0 HA LEU A 137 107.190 12.914 -12.090 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.637 11.997 -10.504 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.980 13.621 -10.496 1.00 0.00 H new ATOM 0 HG LEU A 137 107.405 11.131 -9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.676 11.992 -7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.256 11.629 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.697 13.315 -7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.791 12.791 -8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.815 14.114 -9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 137 106.021 13.005 -10.546 1.00 0.00 H new ATOM 2078 N CYS A 138 110.022 11.908 -13.426 1.00 0.00 N ATOM 2079 CA CYS A 138 110.978 12.212 -14.490 1.00 0.00 C ATOM 2080 C CYS A 138 110.275 12.478 -15.828 1.00 0.00 C ATOM 2081 O CYS A 138 110.818 13.177 -16.683 1.00 0.00 O ATOM 2082 CB CYS A 138 111.958 11.046 -14.656 1.00 0.00 C ATOM 2083 SG CYS A 138 113.344 11.206 -13.499 1.00 0.00 S ATOM 0 H CYS A 138 110.142 10.990 -12.997 1.00 0.00 H new ATOM 0 HA CYS A 138 111.515 13.116 -14.203 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.441 10.102 -14.484 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.333 11.022 -15.679 1.00 0.00 H new ATOM 2088 N GLY A 139 109.074 11.928 -16.014 1.00 0.00 N ATOM 2089 CA GLY A 139 108.331 12.131 -17.257 1.00 0.00 C ATOM 2090 C GLY A 139 108.423 10.933 -18.210 1.00 0.00 C ATOM 2091 O GLY A 139 107.605 10.808 -19.121 1.00 0.00 O ATOM 0 H GLY A 139 108.599 11.344 -15.326 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.284 12.322 -17.021 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.711 13.020 -17.761 1.00 0.00 H new