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 -37:sc= 1.13 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.983 K(o=2.1,f=-5.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.814 K(o=-0.81,f=-2.6!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -75:sc= 0.307 USER MOD Single : A 77 HIS : no HD1:sc= -1.28 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 -16:sc= 0.0302 USER MOD Single : A 101 ASN : amide:sc= -1.66 K(o=-1.7,f=-5.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.48) 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= 0.212 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot -30:sc= -0.837 USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 108.950 16.475 -8.260 1.00 0.00 N ATOM 920 CA LYS A 59 109.261 16.030 -6.901 1.00 0.00 C ATOM 921 C LYS A 59 108.008 15.635 -6.116 1.00 0.00 C ATOM 922 O LYS A 59 106.946 16.239 -6.273 1.00 0.00 O ATOM 923 CB LYS A 59 109.990 17.157 -6.162 1.00 0.00 C ATOM 924 CG LYS A 59 110.465 16.668 -4.791 1.00 0.00 C ATOM 925 CD LYS A 59 111.276 17.771 -4.109 1.00 0.00 C ATOM 926 CE LYS A 59 110.354 18.940 -3.753 1.00 0.00 C ATOM 927 NZ LYS A 59 110.972 19.745 -2.664 1.00 0.00 N ATOM 0 HA LYS A 59 109.891 15.144 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.842 17.496 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 59 109.325 18.012 -6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 59 109.609 16.396 -4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 59 111.074 15.771 -4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.752 17.383 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 59 112.073 18.112 -4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 59 110.185 19.564 -4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 59 109.381 18.566 -3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 110.346 20.539 -2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.111 19.146 -1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 111.891 20.113 -2.983 1.00 0.00 H new ATOM 941 N GLN A 60 108.147 14.613 -5.271 1.00 0.00 N ATOM 942 CA GLN A 60 107.094 14.249 -4.321 1.00 0.00 C ATOM 943 C GLN A 60 107.695 13.807 -2.991 1.00 0.00 C ATOM 944 O GLN A 60 108.817 13.308 -2.941 1.00 0.00 O ATOM 945 CB GLN A 60 106.217 13.106 -4.840 1.00 0.00 C ATOM 946 CG GLN A 60 105.375 13.576 -6.024 1.00 0.00 C ATOM 947 CD GLN A 60 104.342 12.510 -6.375 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.643 11.576 -7.116 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.138 12.575 -5.864 1.00 0.00 N ATOM 0 H GLN A 60 108.978 14.023 -5.225 1.00 0.00 H new ATOM 0 HA GLN A 60 106.482 15.141 -4.190 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.844 12.267 -5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.566 12.748 -4.042 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.876 14.513 -5.778 1.00 0.00 H new ATOM 0 HG3 GLN A 60 106.016 13.772 -6.884 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.886 13.349 -5.249 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.452 11.852 -6.081 1.00 0.00 H new ATOM 958 N ASP A 61 106.931 13.979 -1.917 1.00 0.00 N ATOM 959 CA ASP A 61 107.338 13.464 -0.615 1.00 0.00 C ATOM 960 C ASP A 61 106.710 12.093 -0.384 1.00 0.00 C ATOM 961 O ASP A 61 105.493 11.938 -0.488 1.00 0.00 O ATOM 962 CB ASP A 61 106.897 14.426 0.493 1.00 0.00 C ATOM 963 CG ASP A 61 107.587 15.780 0.335 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.702 15.809 -0.163 1.00 0.00 O ATOM 965 OD2 ASP A 61 106.989 16.772 0.716 1.00 0.00 O ATOM 0 H ASP A 61 106.035 14.466 -1.922 1.00 0.00 H new ATOM 0 HA ASP A 61 108.424 13.373 -0.595 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.815 14.557 0.459 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.137 14.001 1.468 1.00 0.00 H new ATOM 970 N ILE A 62 107.537 11.097 -0.073 1.00 0.00 N ATOM 971 CA ILE A 62 107.047 9.732 0.122 1.00 0.00 C ATOM 972 C ILE A 62 107.469 9.208 1.495 1.00 0.00 C ATOM 973 O ILE A 62 108.584 9.468 1.944 1.00 0.00 O ATOM 974 CB ILE A 62 107.587 8.837 -1.003 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.972 7.439 -0.899 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.114 8.734 -0.926 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.573 7.450 -1.515 1.00 0.00 C ATOM 0 H ILE A 62 108.544 11.207 0.049 1.00 0.00 H new ATOM 0 HA ILE A 62 105.958 9.724 0.086 1.00 0.00 H new ATOM 0 HB ILE A 62 107.314 9.284 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.602 6.714 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.919 7.130 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.477 8.096 -1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.551 9.728 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.402 8.305 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 62 105.135 6.455 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.946 8.163 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.639 7.740 -2.564 1.00 0.00 H new ATOM 989 N SER A 63 106.583 8.466 2.159 1.00 0.00 N ATOM 990 CA SER A 63 106.870 7.987 3.509 1.00 0.00 C ATOM 991 C SER A 63 106.311 6.586 3.743 1.00 0.00 C ATOM 992 O SER A 63 105.454 6.100 3.001 1.00 0.00 O ATOM 993 CB SER A 63 106.277 8.948 4.540 1.00 0.00 C ATOM 994 OG SER A 63 104.861 8.827 4.534 1.00 0.00 O ATOM 0 H SER A 63 105.674 8.187 1.790 1.00 0.00 H new ATOM 0 HA SER A 63 107.954 7.943 3.619 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.669 8.723 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.567 9.973 4.308 1.00 0.00 H new ATOM 0 HG SER A 63 104.549 8.682 3.616 1.00 0.00 H new ATOM 1000 N GLU A 64 106.807 5.939 4.793 1.00 0.00 N ATOM 1001 CA GLU A 64 106.344 4.603 5.149 1.00 0.00 C ATOM 1002 C GLU A 64 104.830 4.576 5.341 1.00 0.00 C ATOM 1003 O GLU A 64 104.175 3.602 4.976 1.00 0.00 O ATOM 1004 CB GLU A 64 107.037 4.133 6.430 1.00 0.00 C ATOM 1005 CG GLU A 64 106.767 5.126 7.566 1.00 0.00 C ATOM 1006 CD GLU A 64 107.529 4.755 8.844 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.140 3.696 8.892 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.484 5.544 9.772 1.00 0.00 O ATOM 0 H GLU A 64 107.526 6.316 5.410 1.00 0.00 H new ATOM 0 HA GLU A 64 106.596 3.929 4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.675 3.143 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.110 4.044 6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.057 6.128 7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.698 5.155 7.776 1.00 0.00 H new ATOM 1015 N ALA A 65 104.268 5.656 5.879 1.00 0.00 N ATOM 1016 CA ALA A 65 102.831 5.708 6.126 1.00 0.00 C ATOM 1017 C ALA A 65 102.053 5.519 4.828 1.00 0.00 C ATOM 1018 O ALA A 65 101.029 4.835 4.806 1.00 0.00 O ATOM 1019 CB ALA A 65 102.455 7.052 6.752 1.00 0.00 C ATOM 0 H ALA A 65 104.779 6.497 6.149 1.00 0.00 H new ATOM 0 HA ALA A 65 102.574 4.901 6.812 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.380 7.081 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 65 102.985 7.175 7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.731 7.859 6.074 1.00 0.00 H new ATOM 1025 N ASN A 66 102.539 6.127 3.750 1.00 0.00 N ATOM 1026 CA ASN A 66 101.835 6.066 2.475 1.00 0.00 C ATOM 1027 C ASN A 66 101.876 4.666 1.871 1.00 0.00 C ATOM 1028 O ASN A 66 100.851 4.155 1.420 1.00 0.00 O ATOM 1029 CB ASN A 66 102.457 7.049 1.483 1.00 0.00 C ATOM 1030 CG ASN A 66 102.437 8.463 2.053 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.475 8.985 2.458 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.313 9.120 2.094 1.00 0.00 N ATOM 0 H ASN A 66 103.408 6.662 3.733 1.00 0.00 H new ATOM 0 HA ASN A 66 100.795 6.330 2.668 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.483 6.753 1.263 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.908 7.022 0.542 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.291 10.071 2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.455 8.684 1.757 1.00 0.00 H new ATOM 1039 N LEU A 67 103.057 4.050 1.858 1.00 0.00 N ATOM 1040 CA LEU A 67 103.206 2.749 1.200 1.00 0.00 C ATOM 1041 C LEU A 67 102.874 1.560 2.110 1.00 0.00 C ATOM 1042 O LEU A 67 102.811 0.427 1.631 1.00 0.00 O ATOM 1043 CB LEU A 67 104.626 2.587 0.635 1.00 0.00 C ATOM 1044 CG LEU A 67 105.038 3.795 -0.230 1.00 0.00 C ATOM 1045 CD1 LEU A 67 106.419 3.550 -0.869 1.00 0.00 C ATOM 1046 CD2 LEU A 67 104.007 4.060 -1.341 1.00 0.00 C ATOM 0 H LEU A 67 103.907 4.418 2.284 1.00 0.00 H new ATOM 0 HA LEU A 67 102.478 2.741 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.333 2.470 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.678 1.677 0.037 1.00 0.00 H new ATOM 0 HG LEU A 67 105.085 4.667 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 67 106.697 4.411 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 67 107.162 3.404 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 67 106.376 2.661 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 67 104.324 4.917 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 67 103.930 3.183 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 67 103.035 4.268 -0.893 1.00 0.00 H new ATOM 1058 N ALA A 68 102.668 1.794 3.407 1.00 0.00 N ATOM 1059 CA ALA A 68 102.289 0.719 4.319 1.00 0.00 C ATOM 1060 C ALA A 68 103.406 -0.340 4.354 1.00 0.00 C ATOM 1061 O ALA A 68 104.574 0.019 4.223 1.00 0.00 O ATOM 1062 CB ALA A 68 100.933 0.149 3.873 1.00 0.00 C ATOM 0 H ALA A 68 102.757 2.711 3.845 1.00 0.00 H new ATOM 0 HA ALA A 68 102.171 1.087 5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.637 -0.656 4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.181 0.938 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 68 101.018 -0.240 2.858 1.00 0.00 H new ATOM 1068 N TYR A 69 103.081 -1.629 4.496 1.00 0.00 N ATOM 1069 CA TYR A 69 104.106 -2.669 4.586 1.00 0.00 C ATOM 1070 C TYR A 69 105.081 -2.615 3.405 1.00 0.00 C ATOM 1071 O TYR A 69 106.241 -3.005 3.535 1.00 0.00 O ATOM 1072 CB TYR A 69 103.440 -4.045 4.629 1.00 0.00 C ATOM 1073 CG TYR A 69 104.421 -5.183 4.784 1.00 0.00 C ATOM 1074 CD1 TYR A 69 104.857 -5.564 6.059 1.00 0.00 C ATOM 1075 CD2 TYR A 69 104.894 -5.857 3.653 1.00 0.00 C ATOM 1076 CE1 TYR A 69 105.765 -6.619 6.201 1.00 0.00 C ATOM 1077 CE2 TYR A 69 105.803 -6.911 3.794 1.00 0.00 C ATOM 1078 CZ TYR A 69 106.238 -7.293 5.069 1.00 0.00 C ATOM 1079 OH TYR A 69 107.135 -8.333 5.208 1.00 0.00 O ATOM 0 H TYR A 69 102.123 -1.974 4.551 1.00 0.00 H new ATOM 0 HA TYR A 69 104.674 -2.494 5.500 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.731 -4.071 5.457 1.00 0.00 H new ATOM 0 HB3 TYR A 69 102.867 -4.192 3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.493 -5.044 6.932 1.00 0.00 H new ATOM 0 HD2 TYR A 69 104.557 -5.563 2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 69 106.101 -6.913 7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 69 106.169 -7.430 2.920 1.00 0.00 H new ATOM 0 HH TYR A 69 107.360 -8.691 4.324 1.00 0.00 H new ATOM 1089 N LEU A 70 104.610 -2.132 2.258 1.00 0.00 N ATOM 1090 CA LEU A 70 105.432 -2.080 1.049 1.00 0.00 C ATOM 1091 C LEU A 70 106.743 -1.320 1.274 1.00 0.00 C ATOM 1092 O LEU A 70 107.727 -1.561 0.576 1.00 0.00 O ATOM 1093 CB LEU A 70 104.649 -1.409 -0.082 1.00 0.00 C ATOM 1094 CG LEU A 70 103.345 -2.168 -0.340 1.00 0.00 C ATOM 1095 CD1 LEU A 70 102.522 -1.421 -1.392 1.00 0.00 C ATOM 1096 CD2 LEU A 70 103.661 -3.573 -0.857 1.00 0.00 C ATOM 0 H LEU A 70 103.664 -1.771 2.139 1.00 0.00 H new ATOM 0 HA LEU A 70 105.681 -3.107 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 70 104.431 -0.374 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 70 105.252 -1.387 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 70 102.780 -2.239 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.593 -1.960 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 70 102.294 -0.418 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 70 103.092 -1.352 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.731 -4.111 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 70 104.227 -3.500 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 70 104.251 -4.110 -0.114 1.00 0.00 H new ATOM 1108 N TRP A 71 106.760 -0.406 2.244 1.00 0.00 N ATOM 1109 CA TRP A 71 107.942 0.408 2.502 1.00 0.00 C ATOM 1110 C TRP A 71 109.163 -0.489 2.763 1.00 0.00 C ATOM 1111 O TRP A 71 109.242 -1.099 3.831 1.00 0.00 O ATOM 1112 CB TRP A 71 107.700 1.281 3.734 1.00 0.00 C ATOM 1113 CG TRP A 71 108.678 2.405 3.860 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.624 2.508 4.819 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.827 3.581 3.010 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.334 3.677 4.622 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.888 4.369 3.515 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.151 4.037 1.866 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.268 5.566 2.901 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.530 5.236 1.247 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.586 5.999 1.760 1.00 0.00 C ATOM 0 H TRP A 71 105.971 -0.213 2.861 1.00 0.00 H new ATOM 0 HA TRP A 71 108.133 1.032 1.629 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.690 1.690 3.689 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.753 0.660 4.628 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.797 1.794 5.610 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.096 3.991 5.223 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.333 3.459 1.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.081 6.151 3.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 108.003 5.574 0.367 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.873 6.920 1.275 1.00 0.00 H new ATOM 1132 N PRO A 72 110.109 -0.596 1.850 1.00 0.00 N ATOM 1133 CA PRO A 72 111.262 -1.531 2.016 1.00 0.00 C ATOM 1134 C PRO A 72 112.454 -0.928 2.763 1.00 0.00 C ATOM 1135 O PRO A 72 113.377 -1.652 3.136 1.00 0.00 O ATOM 1136 CB PRO A 72 111.646 -1.849 0.573 1.00 0.00 C ATOM 1137 CG PRO A 72 111.371 -0.589 -0.173 1.00 0.00 C ATOM 1138 CD PRO A 72 110.227 0.114 0.558 1.00 0.00 C ATOM 0 HA PRO A 72 110.987 -2.395 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.695 -2.135 0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 72 111.059 -2.679 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.258 0.044 -0.203 1.00 0.00 H new ATOM 0 HG3 PRO A 72 111.097 -0.803 -1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.444 1.172 0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.299 0.056 -0.011 1.00 0.00 H new ATOM 1146 N LEU A 73 112.463 0.390 2.940 1.00 0.00 N ATOM 1147 CA LEU A 73 113.624 1.064 3.520 1.00 0.00 C ATOM 1148 C LEU A 73 113.530 1.148 5.040 1.00 0.00 C ATOM 1149 O LEU A 73 112.447 1.289 5.607 1.00 0.00 O ATOM 1150 CB LEU A 73 113.751 2.483 2.961 1.00 0.00 C ATOM 1151 CG LEU A 73 113.775 2.467 1.431 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.851 3.910 0.932 1.00 0.00 C ATOM 1153 CD2 LEU A 73 114.995 1.689 0.931 1.00 0.00 C ATOM 0 H LEU A 73 111.690 1.008 2.694 1.00 0.00 H new ATOM 0 HA LEU A 73 114.500 0.473 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.916 3.091 3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.663 2.947 3.338 1.00 0.00 H new ATOM 0 HG LEU A 73 112.874 1.983 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.869 3.918 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.980 4.463 1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.758 4.379 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.002 1.684 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.905 2.164 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 73 114.948 0.664 1.298 1.00 0.00 H new ATOM 1165 N THR A 74 114.689 1.059 5.685 1.00 0.00 N ATOM 1166 CA THR A 74 114.780 1.218 7.131 1.00 0.00 C ATOM 1167 C THR A 74 114.511 2.665 7.533 1.00 0.00 C ATOM 1168 O THR A 74 113.891 2.913 8.568 1.00 0.00 O ATOM 1169 CB THR A 74 116.171 0.803 7.618 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.148 1.653 7.036 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.448 -0.647 7.217 1.00 0.00 C ATOM 0 H THR A 74 115.581 0.877 5.226 1.00 0.00 H new ATOM 0 HA THR A 74 114.027 0.579 7.593 1.00 0.00 H new ATOM 0 HB THR A 74 116.214 0.889 8.704 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.276 1.408 6.096 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.439 -0.938 7.566 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.699 -1.298 7.667 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.404 -0.739 6.132 1.00 0.00 H new ATOM 1179 N VAL A 75 114.977 3.619 6.721 1.00 0.00 N ATOM 1180 CA VAL A 75 114.677 5.022 6.990 1.00 0.00 C ATOM 1181 C VAL A 75 113.177 5.222 6.848 1.00 0.00 C ATOM 1182 O VAL A 75 112.585 4.805 5.857 1.00 0.00 O ATOM 1183 CB VAL A 75 115.432 5.955 6.036 1.00 0.00 C ATOM 1184 CG1 VAL A 75 116.936 5.827 6.284 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.132 5.591 4.580 1.00 0.00 C ATOM 0 H VAL A 75 115.549 3.449 5.893 1.00 0.00 H new ATOM 0 HA VAL A 75 115.001 5.270 8.001 1.00 0.00 H new ATOM 0 HB VAL A 75 115.107 6.979 6.220 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.474 6.490 5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.160 6.102 7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.247 4.797 6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.676 6.264 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.443 4.564 4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.062 5.686 4.394 1.00 0.00 H new ATOM 1195 N ASP A 76 112.560 5.839 7.846 1.00 0.00 N ATOM 1196 CA ASP A 76 111.104 5.869 7.917 1.00 0.00 C ATOM 1197 C ASP A 76 110.483 6.635 6.755 1.00 0.00 C ATOM 1198 O ASP A 76 109.358 6.327 6.357 1.00 0.00 O ATOM 1199 CB ASP A 76 110.649 6.469 9.249 1.00 0.00 C ATOM 1200 CG ASP A 76 111.083 7.929 9.357 1.00 0.00 C ATOM 1201 OD1 ASP A 76 112.118 8.268 8.805 1.00 0.00 O ATOM 1202 OD2 ASP A 76 110.376 8.688 9.999 1.00 0.00 O ATOM 0 H ASP A 76 113.036 6.320 8.609 1.00 0.00 H new ATOM 0 HA ASP A 76 110.758 4.838 7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 76 109.565 6.399 9.334 1.00 0.00 H new ATOM 0 HB3 ASP A 76 111.071 5.896 10.075 1.00 0.00 H new ATOM 1207 N HIS A 77 111.184 7.634 6.224 1.00 0.00 N ATOM 1208 CA HIS A 77 110.671 8.354 5.065 1.00 0.00 C ATOM 1209 C HIS A 77 111.813 8.880 4.212 1.00 0.00 C ATOM 1210 O HIS A 77 112.981 8.703 4.550 1.00 0.00 O ATOM 1211 CB HIS A 77 109.737 9.491 5.492 1.00 0.00 C ATOM 1212 CG HIS A 77 110.417 10.661 6.151 1.00 0.00 C ATOM 1213 ND1 HIS A 77 110.776 10.652 7.489 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.767 11.903 5.678 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.312 11.852 7.774 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.330 12.654 6.707 1.00 0.00 N ATOM 0 H HIS A 77 112.088 7.957 6.569 1.00 0.00 H new ATOM 0 HA HIS A 77 110.090 7.655 4.463 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.201 9.850 4.613 1.00 0.00 H new ATOM 0 HB3 HIS A 77 108.991 9.090 6.179 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.627 12.245 4.663 1.00 0.00 H new ATOM 0 HE1 HIS A 77 111.683 12.133 8.749 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.680 13.611 6.656 1.00 0.00 H new ATOM 1224 N GLY A 78 111.460 9.457 3.070 1.00 0.00 N ATOM 1225 CA GLY A 78 112.435 10.066 2.184 1.00 0.00 C ATOM 1226 C GLY A 78 111.718 10.815 1.069 1.00 0.00 C ATOM 1227 O GLY A 78 110.528 10.608 0.827 1.00 0.00 O ATOM 0 H GLY A 78 110.498 9.514 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.072 10.751 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.085 9.300 1.761 1.00 0.00 H new ATOM 1231 N THR A 79 112.435 11.712 0.410 1.00 0.00 N ATOM 1232 CA THR A 79 111.858 12.489 -0.681 1.00 0.00 C ATOM 1233 C THR A 79 112.420 12.015 -2.016 1.00 0.00 C ATOM 1234 O THR A 79 113.602 11.703 -2.121 1.00 0.00 O ATOM 1235 CB THR A 79 112.177 13.972 -0.484 1.00 0.00 C ATOM 1236 OG1 THR A 79 111.998 14.313 0.883 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.219 14.799 -1.342 1.00 0.00 C ATOM 0 H THR A 79 113.413 11.921 0.609 1.00 0.00 H new ATOM 0 HA THR A 79 110.777 12.349 -0.682 1.00 0.00 H new ATOM 0 HB THR A 79 113.207 14.174 -0.776 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.203 15.262 1.013 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.436 15.859 -1.211 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.345 14.530 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.192 14.598 -1.037 1.00 0.00 H new ATOM 1245 N ILE A 80 111.571 11.961 -3.037 1.00 0.00 N ATOM 1246 CA ILE A 80 112.001 11.516 -4.361 1.00 0.00 C ATOM 1247 C ILE A 80 112.037 12.699 -5.320 1.00 0.00 C ATOM 1248 O ILE A 80 111.127 13.527 -5.325 1.00 0.00 O ATOM 1249 CB ILE A 80 111.051 10.434 -4.885 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.609 10.959 -4.905 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.138 9.211 -3.972 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.681 9.917 -5.533 1.00 0.00 C ATOM 0 H ILE A 80 110.586 12.218 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 80 113.003 11.094 -4.287 1.00 0.00 H new ATOM 0 HB ILE A 80 111.339 10.162 -5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.282 11.185 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.560 11.890 -5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.465 8.435 -4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.160 8.832 -3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.851 9.492 -2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.660 10.298 -5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 80 109.002 9.712 -6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.719 8.997 -4.950 1.00 0.00 H new ATOM 1264 N GLU A 81 113.099 12.785 -6.118 1.00 0.00 N ATOM 1265 CA GLU A 81 113.262 13.921 -7.019 1.00 0.00 C ATOM 1266 C GLU A 81 113.888 13.507 -8.345 1.00 0.00 C ATOM 1267 O GLU A 81 114.742 12.621 -8.402 1.00 0.00 O ATOM 1268 CB GLU A 81 114.134 14.986 -6.352 1.00 0.00 C ATOM 1269 CG GLU A 81 114.145 16.256 -7.213 1.00 0.00 C ATOM 1270 CD GLU A 81 115.073 17.331 -6.637 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.713 17.092 -5.622 1.00 0.00 O ATOM 1272 OE2 GLU A 81 115.133 18.396 -7.230 1.00 0.00 O ATOM 0 H GLU A 81 113.848 12.094 -6.159 1.00 0.00 H new ATOM 0 HA GLU A 81 112.271 14.325 -7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 81 113.751 15.213 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 81 115.150 14.612 -6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 81 114.464 16.006 -8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.132 16.653 -7.287 1.00 0.00 H new ATOM 1279 N CYS A 82 113.430 14.156 -9.412 1.00 0.00 N ATOM 1280 CA CYS A 82 114.013 13.967 -10.735 1.00 0.00 C ATOM 1281 C CYS A 82 114.820 15.203 -11.123 1.00 0.00 C ATOM 1282 O CYS A 82 114.289 16.313 -11.163 1.00 0.00 O ATOM 1283 CB CYS A 82 112.906 13.731 -11.766 1.00 0.00 C ATOM 1284 SG CYS A 82 112.485 11.971 -11.808 1.00 0.00 S ATOM 0 H CYS A 82 112.655 14.819 -9.385 1.00 0.00 H new ATOM 0 HA CYS A 82 114.671 13.098 -10.713 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.025 14.320 -11.511 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.236 14.061 -12.751 1.00 0.00 H new ATOM 1359 N ALA A 88 116.898 9.699 -11.793 1.00 0.00 N ATOM 1360 CA ALA A 88 116.008 9.522 -10.652 1.00 0.00 C ATOM 1361 C ALA A 88 116.812 9.165 -9.408 1.00 0.00 C ATOM 1362 O ALA A 88 117.526 8.161 -9.388 1.00 0.00 O ATOM 1363 CB ALA A 88 115.001 8.409 -10.948 1.00 0.00 C ATOM 0 HA ALA A 88 115.475 10.456 -10.475 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.338 8.281 -10.092 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.412 8.675 -11.826 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.534 7.477 -11.137 1.00 0.00 H new ATOM 1369 N VAL A 89 116.684 9.981 -8.363 1.00 0.00 N ATOM 1370 CA VAL A 89 117.411 9.736 -7.119 1.00 0.00 C ATOM 1371 C VAL A 89 116.488 9.839 -5.906 1.00 0.00 C ATOM 1372 O VAL A 89 115.449 10.501 -5.945 1.00 0.00 O ATOM 1373 CB VAL A 89 118.553 10.744 -6.965 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.559 10.561 -8.103 1.00 0.00 C ATOM 1375 CG2 VAL A 89 117.993 12.167 -7.005 1.00 0.00 C ATOM 0 H VAL A 89 116.090 10.810 -8.352 1.00 0.00 H new ATOM 0 HA VAL A 89 117.814 8.724 -7.168 1.00 0.00 H new ATOM 0 HB VAL A 89 119.051 10.577 -6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.370 11.280 -7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 89 119.964 9.549 -8.072 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.061 10.723 -9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.808 12.882 -6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.490 12.333 -7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.281 12.301 -6.191 1.00 0.00 H new ATOM 1385 N PHE A 90 116.905 9.184 -4.829 1.00 0.00 N ATOM 1386 CA PHE A 90 116.160 9.167 -3.574 1.00 0.00 C ATOM 1387 C PHE A 90 116.948 9.888 -2.482 1.00 0.00 C ATOM 1388 O PHE A 90 118.107 9.569 -2.239 1.00 0.00 O ATOM 1389 CB PHE A 90 115.936 7.709 -3.164 1.00 0.00 C ATOM 1390 CG PHE A 90 115.237 7.521 -1.837 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.849 7.676 -1.740 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.984 7.176 -0.705 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.207 7.483 -0.510 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.343 6.984 0.525 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.956 7.136 0.622 1.00 0.00 C ATOM 0 H PHE A 90 117.772 8.648 -4.801 1.00 0.00 H new ATOM 0 HA PHE A 90 115.205 9.676 -3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.351 7.215 -3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.902 7.206 -3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.273 7.944 -2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.055 7.058 -0.780 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.136 7.602 -0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.920 6.719 1.399 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.462 6.986 1.571 1.00 0.00 H new ATOM 1405 N VAL A 91 116.320 10.854 -1.824 1.00 0.00 N ATOM 1406 CA VAL A 91 116.968 11.586 -0.738 1.00 0.00 C ATOM 1407 C VAL A 91 116.374 11.151 0.598 1.00 0.00 C ATOM 1408 O VAL A 91 115.158 11.139 0.765 1.00 0.00 O ATOM 1409 CB VAL A 91 116.771 13.095 -0.943 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.405 13.898 0.206 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.411 13.498 -2.276 1.00 0.00 C ATOM 0 H VAL A 91 115.364 11.150 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 91 118.036 11.368 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 91 115.704 13.315 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.250 14.963 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 91 116.941 13.611 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.474 13.689 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.278 14.568 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.475 13.264 -2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.935 12.949 -3.089 1.00 0.00 H new ATOM 1421 N ALA A 92 117.237 10.818 1.550 1.00 0.00 N ATOM 1422 CA ALA A 92 116.770 10.410 2.875 1.00 0.00 C ATOM 1423 C ALA A 92 116.887 11.568 3.869 1.00 0.00 C ATOM 1424 O ALA A 92 117.693 12.471 3.658 1.00 0.00 O ATOM 1425 CB ALA A 92 117.599 9.225 3.373 1.00 0.00 C ATOM 0 H ALA A 92 118.251 10.821 1.435 1.00 0.00 H new ATOM 0 HA ALA A 92 115.722 10.119 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.248 8.924 4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.493 8.390 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.648 9.515 3.434 1.00 0.00 H new ATOM 1431 N PRO A 93 116.115 11.574 4.938 1.00 0.00 N ATOM 1432 CA PRO A 93 116.195 12.669 5.954 1.00 0.00 C ATOM 1433 C PRO A 93 117.625 12.981 6.387 1.00 0.00 C ATOM 1434 O PRO A 93 117.925 14.102 6.799 1.00 0.00 O ATOM 1435 CB PRO A 93 115.383 12.150 7.142 1.00 0.00 C ATOM 1436 CG PRO A 93 114.444 11.138 6.585 1.00 0.00 C ATOM 1437 CD PRO A 93 115.068 10.596 5.300 1.00 0.00 C ATOM 0 HA PRO A 93 115.815 13.604 5.543 1.00 0.00 H new ATOM 0 HB2 PRO A 93 116.034 11.706 7.895 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.840 12.961 7.628 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.278 10.333 7.301 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.472 11.587 6.380 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.492 9.604 5.456 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.324 10.504 4.509 1.00 0.00 H new ATOM 1445 N ASP A 94 118.504 11.991 6.293 1.00 0.00 N ATOM 1446 CA ASP A 94 119.887 12.166 6.731 1.00 0.00 C ATOM 1447 C ASP A 94 120.652 13.198 5.888 1.00 0.00 C ATOM 1448 O ASP A 94 121.751 13.603 6.265 1.00 0.00 O ATOM 1449 CB ASP A 94 120.611 10.811 6.693 1.00 0.00 C ATOM 1450 CG ASP A 94 120.492 10.138 5.321 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.084 10.791 4.376 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.823 8.965 5.230 1.00 0.00 O ATOM 0 H ASP A 94 118.289 11.066 5.921 1.00 0.00 H new ATOM 0 HA ASP A 94 119.861 12.551 7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.664 10.955 6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.194 10.155 7.457 1.00 0.00 H new ATOM 1457 N GLY A 95 120.089 13.626 4.756 1.00 0.00 N ATOM 1458 CA GLY A 95 120.781 14.565 3.870 1.00 0.00 C ATOM 1459 C GLY A 95 121.650 13.861 2.816 1.00 0.00 C ATOM 1460 O GLY A 95 122.411 14.517 2.105 1.00 0.00 O ATOM 0 H GLY A 95 119.164 13.341 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 95 120.045 15.192 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.408 15.226 4.468 1.00 0.00 H new ATOM 1464 N THR A 96 121.540 12.538 2.715 1.00 0.00 N ATOM 1465 CA THR A 96 122.320 11.764 1.763 1.00 0.00 C ATOM 1466 C THR A 96 121.465 11.457 0.544 1.00 0.00 C ATOM 1467 O THR A 96 120.285 11.134 0.676 1.00 0.00 O ATOM 1468 CB THR A 96 122.763 10.452 2.416 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.482 10.737 3.608 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.655 9.659 1.457 1.00 0.00 C ATOM 0 H THR A 96 120.910 11.978 3.290 1.00 0.00 H new ATOM 0 HA THR A 96 123.198 12.335 1.460 1.00 0.00 H new ATOM 0 HB THR A 96 121.881 9.857 2.652 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.765 9.898 4.028 1.00 0.00 H new ATOM 0 HG21 THR A 96 123.964 8.728 1.933 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.100 9.434 0.546 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.537 10.249 1.209 1.00 0.00 H new ATOM 1478 N THR A 97 122.059 11.565 -0.638 1.00 0.00 N ATOM 1479 CA THR A 97 121.345 11.239 -1.865 1.00 0.00 C ATOM 1480 C THR A 97 121.802 9.881 -2.385 1.00 0.00 C ATOM 1481 O THR A 97 122.997 9.609 -2.487 1.00 0.00 O ATOM 1482 CB THR A 97 121.606 12.312 -2.924 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.274 13.588 -2.396 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.750 12.032 -4.161 1.00 0.00 C ATOM 0 H THR A 97 123.022 11.872 -0.772 1.00 0.00 H new ATOM 0 HA THR A 97 120.277 11.201 -1.653 1.00 0.00 H new ATOM 0 HB THR A 97 122.660 12.297 -3.203 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.443 14.276 -3.073 1.00 0.00 H new ATOM 0 HG21 THR A 97 120.937 12.797 -4.914 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.006 11.053 -4.567 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.696 12.045 -3.885 1.00 0.00 H new ATOM 1492 N TYR A 98 120.830 9.036 -2.702 1.00 0.00 N ATOM 1493 CA TYR A 98 121.100 7.708 -3.233 1.00 0.00 C ATOM 1494 C TYR A 98 120.549 7.620 -4.654 1.00 0.00 C ATOM 1495 O TYR A 98 119.564 8.277 -4.975 1.00 0.00 O ATOM 1496 CB TYR A 98 120.412 6.652 -2.365 1.00 0.00 C ATOM 1497 CG TYR A 98 120.809 6.676 -0.904 1.00 0.00 C ATOM 1498 CD1 TYR A 98 120.093 7.466 0.006 1.00 0.00 C ATOM 1499 CD2 TYR A 98 121.881 5.897 -0.453 1.00 0.00 C ATOM 1500 CE1 TYR A 98 120.449 7.477 1.360 1.00 0.00 C ATOM 1501 CE2 TYR A 98 122.236 5.907 0.902 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.521 6.698 1.810 1.00 0.00 C ATOM 1503 OH TYR A 98 121.873 6.707 3.146 1.00 0.00 O ATOM 0 H TYR A 98 119.838 9.251 -2.599 1.00 0.00 H new ATOM 0 HA TYR A 98 122.175 7.530 -3.234 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.333 6.790 -2.436 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.635 5.666 -2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 98 119.265 8.068 -0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 98 122.435 5.287 -1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 98 119.896 8.087 2.058 1.00 0.00 H new ATOM 0 HE2 TYR A 98 123.063 5.304 1.247 1.00 0.00 H new ATOM 0 HH TYR A 98 121.461 7.479 3.588 1.00 0.00 H new ATOM 1513 N ALA A 99 121.178 6.813 -5.497 1.00 0.00 N ATOM 1514 CA ALA A 99 120.730 6.667 -6.877 1.00 0.00 C ATOM 1515 C ALA A 99 119.662 5.582 -6.987 1.00 0.00 C ATOM 1516 O ALA A 99 119.863 4.455 -6.535 1.00 0.00 O ATOM 1517 CB ALA A 99 121.922 6.311 -7.770 1.00 0.00 C ATOM 0 H ALA A 99 121.995 6.252 -5.253 1.00 0.00 H new ATOM 0 HA ALA A 99 120.297 7.613 -7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.585 6.202 -8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.668 7.104 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.363 5.373 -7.432 1.00 0.00 H new ATOM 1523 N LEU A 100 118.528 5.929 -7.589 1.00 0.00 N ATOM 1524 CA LEU A 100 117.454 4.963 -7.781 1.00 0.00 C ATOM 1525 C LEU A 100 117.669 4.189 -9.073 1.00 0.00 C ATOM 1526 O LEU A 100 117.634 2.958 -9.087 1.00 0.00 O ATOM 1527 CB LEU A 100 116.099 5.671 -7.855 1.00 0.00 C ATOM 1528 CG LEU A 100 115.678 6.160 -6.471 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.614 7.247 -6.633 1.00 0.00 C ATOM 1530 CD2 LEU A 100 115.085 4.992 -5.681 1.00 0.00 C ATOM 0 H LEU A 100 118.331 6.863 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 100 117.462 4.279 -6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.159 6.514 -8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.346 4.989 -8.251 1.00 0.00 H new ATOM 0 HG LEU A 100 116.542 6.559 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.306 7.604 -5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.026 8.077 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.751 6.836 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.783 5.337 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.216 4.600 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.833 4.206 -5.578 1.00 0.00 H new ATOM 1542 N ASN A 101 117.890 4.922 -10.162 1.00 0.00 N ATOM 1543 CA ASN A 101 118.024 4.295 -11.480 1.00 0.00 C ATOM 1544 C ASN A 101 119.483 4.223 -11.933 1.00 0.00 C ATOM 1545 O ASN A 101 120.371 4.855 -11.357 1.00 0.00 O ATOM 1546 CB ASN A 101 117.160 5.033 -12.512 1.00 0.00 C ATOM 1547 CG ASN A 101 117.725 6.411 -12.849 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.733 6.830 -12.285 1.00 0.00 O ATOM 1549 ND2 ASN A 101 117.129 7.142 -13.751 1.00 0.00 N ATOM 0 H ASN A 101 117.980 5.938 -10.162 1.00 0.00 H new ATOM 0 HA ASN A 101 117.667 3.268 -11.397 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.092 4.436 -13.422 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.146 5.141 -12.126 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.500 8.062 -13.988 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.292 6.793 -14.219 1.00 0.00 H new ATOM 1556 N ASP A 102 119.719 3.448 -12.986 1.00 0.00 N ATOM 1557 CA ASP A 102 121.079 3.168 -13.431 1.00 0.00 C ATOM 1558 C ASP A 102 121.846 4.446 -13.760 1.00 0.00 C ATOM 1559 O ASP A 102 123.030 4.555 -13.445 1.00 0.00 O ATOM 1560 CB ASP A 102 121.046 2.254 -14.660 1.00 0.00 C ATOM 1561 CG ASP A 102 120.366 2.949 -15.838 1.00 0.00 C ATOM 1562 OD1 ASP A 102 119.501 3.777 -15.603 1.00 0.00 O ATOM 1563 OD2 ASP A 102 120.722 2.641 -16.964 1.00 0.00 O ATOM 0 H ASP A 102 118.990 3.004 -13.545 1.00 0.00 H new ATOM 0 HA ASP A 102 121.598 2.671 -12.612 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.062 1.972 -14.936 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.514 1.333 -14.419 1.00 0.00 H new ATOM 1568 N ARG A 103 121.178 5.418 -14.373 1.00 0.00 N ATOM 1569 CA ARG A 103 121.858 6.641 -14.791 1.00 0.00 C ATOM 1570 C ARG A 103 122.415 7.400 -13.589 1.00 0.00 C ATOM 1571 O ARG A 103 123.546 7.886 -13.622 1.00 0.00 O ATOM 1572 CB ARG A 103 120.902 7.513 -15.606 1.00 0.00 C ATOM 1573 CG ARG A 103 120.600 6.797 -16.925 1.00 0.00 C ATOM 1574 CD ARG A 103 119.736 7.680 -17.824 1.00 0.00 C ATOM 1575 NE ARG A 103 118.475 8.012 -17.156 1.00 0.00 N ATOM 1576 CZ ARG A 103 117.474 7.138 -16.990 1.00 0.00 C ATOM 1577 NH1 ARG A 103 117.553 5.893 -17.395 1.00 0.00 N ATOM 1578 NH2 ARG A 103 116.386 7.549 -16.402 1.00 0.00 N ATOM 0 H ARG A 103 120.182 5.386 -14.589 1.00 0.00 H new ATOM 0 HA ARG A 103 122.705 6.373 -15.422 1.00 0.00 H new ATOM 0 HB2 ARG A 103 119.981 7.688 -15.050 1.00 0.00 H new ATOM 0 HB3 ARG A 103 121.349 8.489 -15.798 1.00 0.00 H new ATOM 0 HG2 ARG A 103 121.532 6.550 -17.434 1.00 0.00 H new ATOM 0 HG3 ARG A 103 120.086 5.856 -16.726 1.00 0.00 H new ATOM 0 HD2 ARG A 103 120.275 8.594 -18.072 1.00 0.00 H new ATOM 0 HD3 ARG A 103 119.533 7.165 -18.763 1.00 0.00 H new ATOM 0 HE ARG A 103 118.353 8.959 -16.798 1.00 0.00 H new ATOM 0 HH11 ARG A 103 118.400 5.559 -17.855 1.00 0.00 H new ATOM 0 HH12 ARG A 103 116.768 5.259 -17.249 1.00 0.00 H new ATOM 0 HH21 ARG A 103 116.313 8.515 -16.082 1.00 0.00 H new ATOM 0 HH22 ARG A 103 115.607 6.905 -16.262 1.00 0.00 H new ATOM 1592 N ALA A 104 121.642 7.464 -12.510 1.00 0.00 N ATOM 1593 CA ALA A 104 122.117 8.096 -11.281 1.00 0.00 C ATOM 1594 C ALA A 104 123.358 7.382 -10.739 1.00 0.00 C ATOM 1595 O ALA A 104 124.248 8.016 -10.166 1.00 0.00 O ATOM 1596 CB ALA A 104 121.006 8.083 -10.229 1.00 0.00 C ATOM 0 H ALA A 104 120.694 7.091 -12.459 1.00 0.00 H new ATOM 0 HA ALA A 104 122.390 9.126 -11.509 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.365 8.555 -9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.142 8.631 -10.605 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.718 7.053 -10.017 1.00 0.00 H new ATOM 1602 N GLU A 105 123.404 6.058 -10.888 1.00 0.00 N ATOM 1603 CA GLU A 105 124.586 5.303 -10.478 1.00 0.00 C ATOM 1604 C GLU A 105 125.799 5.724 -11.304 1.00 0.00 C ATOM 1605 O GLU A 105 126.894 5.890 -10.771 1.00 0.00 O ATOM 1606 CB GLU A 105 124.349 3.799 -10.635 1.00 0.00 C ATOM 1607 CG GLU A 105 123.203 3.361 -9.715 1.00 0.00 C ATOM 1608 CD GLU A 105 122.979 1.846 -9.766 1.00 0.00 C ATOM 1609 OE1 GLU A 105 123.550 1.186 -10.623 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.230 1.361 -8.934 1.00 0.00 O ATOM 0 H GLU A 105 122.650 5.495 -11.282 1.00 0.00 H new ATOM 0 HA GLU A 105 124.778 5.519 -9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 105 124.107 3.565 -11.672 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.257 3.250 -10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 105 123.424 3.661 -8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 105 122.287 3.874 -10.007 1.00 0.00 H new ATOM 1617 N LYS A 106 125.596 5.935 -12.602 1.00 0.00 N ATOM 1618 CA LYS A 106 126.668 6.440 -13.462 1.00 0.00 C ATOM 1619 C LYS A 106 127.184 7.794 -12.968 1.00 0.00 C ATOM 1620 O LYS A 106 128.371 8.097 -13.091 1.00 0.00 O ATOM 1621 CB LYS A 106 126.171 6.587 -14.903 1.00 0.00 C ATOM 1622 CG LYS A 106 125.655 5.243 -15.427 1.00 0.00 C ATOM 1623 CD LYS A 106 126.802 4.233 -15.502 1.00 0.00 C ATOM 1624 CE LYS A 106 126.324 2.973 -16.225 1.00 0.00 C ATOM 1625 NZ LYS A 106 127.307 1.874 -16.011 1.00 0.00 N ATOM 0 H LYS A 106 124.710 5.767 -13.079 1.00 0.00 H new ATOM 0 HA LYS A 106 127.485 5.719 -13.427 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.376 7.331 -14.947 1.00 0.00 H new ATOM 0 HB3 LYS A 106 126.980 6.947 -15.539 1.00 0.00 H new ATOM 0 HG2 LYS A 106 124.870 4.866 -14.772 1.00 0.00 H new ATOM 0 HG3 LYS A 106 125.211 5.375 -16.414 1.00 0.00 H new ATOM 0 HD2 LYS A 106 127.650 4.668 -16.030 1.00 0.00 H new ATOM 0 HD3 LYS A 106 127.146 3.981 -14.499 1.00 0.00 H new ATOM 0 HE2 LYS A 106 125.344 2.676 -15.852 1.00 0.00 H new ATOM 0 HE3 LYS A 106 126.212 3.173 -17.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 126.982 1.017 -16.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 128.234 2.159 -16.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 127.392 1.678 -14.993 1.00 0.00 H new ATOM 1639 N ALA A 107 126.287 8.604 -12.410 1.00 0.00 N ATOM 1640 CA ALA A 107 126.660 9.902 -11.846 1.00 0.00 C ATOM 1641 C ALA A 107 127.485 9.784 -10.555 1.00 0.00 C ATOM 1642 O ALA A 107 127.896 10.799 -9.991 1.00 0.00 O ATOM 1643 CB ALA A 107 125.397 10.716 -11.559 1.00 0.00 C ATOM 0 H ALA A 107 125.294 8.385 -12.336 1.00 0.00 H new ATOM 0 HA ALA A 107 127.287 10.399 -12.586 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.675 11.683 -11.139 1.00 0.00 H new ATOM 0 HB2 ALA A 107 124.844 10.868 -12.486 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.771 10.178 -10.847 1.00 0.00 H new ATOM 1649 N GLY A 108 127.732 8.562 -10.083 1.00 0.00 N ATOM 1650 CA GLY A 108 128.544 8.350 -8.889 1.00 0.00 C ATOM 1651 C GLY A 108 127.777 8.600 -7.591 1.00 0.00 C ATOM 1652 O GLY A 108 128.390 8.887 -6.562 1.00 0.00 O ATOM 0 H GLY A 108 127.381 7.705 -10.511 1.00 0.00 H new ATOM 0 HA2 GLY A 108 128.921 7.327 -8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.411 9.010 -8.925 1.00 0.00 H new ATOM 1656 N HIS A 109 126.448 8.494 -7.631 1.00 0.00 N ATOM 1657 CA HIS A 109 125.660 8.584 -6.406 1.00 0.00 C ATOM 1658 C HIS A 109 125.658 7.224 -5.697 1.00 0.00 C ATOM 1659 O HIS A 109 125.620 6.194 -6.375 1.00 0.00 O ATOM 1660 CB HIS A 109 124.226 9.003 -6.737 1.00 0.00 C ATOM 1661 CG HIS A 109 124.045 10.495 -6.826 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.752 11.373 -6.021 1.00 0.00 N ATOM 1663 CD2 HIS A 109 123.241 11.276 -7.619 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.364 12.620 -6.343 1.00 0.00 C ATOM 1665 NE2 HIS A 109 123.445 12.619 -7.311 1.00 0.00 N ATOM 0 H HIS A 109 125.905 8.349 -8.482 1.00 0.00 H new ATOM 0 HA HIS A 109 126.102 9.332 -5.748 1.00 0.00 H new ATOM 0 HB2 HIS A 109 123.933 8.552 -7.685 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.555 8.608 -5.975 1.00 0.00 H new ATOM 0 HD2 HIS A 109 122.555 10.906 -8.367 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.749 13.514 -5.875 1.00 0.00 H new ATOM 0 HE2 HIS A 109 122.990 13.428 -7.734 1.00 0.00 H new ATOM 1673 N PRO A 110 125.695 7.173 -4.380 1.00 0.00 N ATOM 1674 CA PRO A 110 125.724 5.865 -3.651 1.00 0.00 C ATOM 1675 C PRO A 110 124.402 5.105 -3.793 1.00 0.00 C ATOM 1676 O PRO A 110 123.369 5.728 -4.019 1.00 0.00 O ATOM 1677 CB PRO A 110 125.975 6.250 -2.191 1.00 0.00 C ATOM 1678 CG PRO A 110 125.477 7.649 -2.065 1.00 0.00 C ATOM 1679 CD PRO A 110 125.692 8.303 -3.428 1.00 0.00 C ATOM 0 HA PRO A 110 126.488 5.197 -4.049 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.447 5.581 -1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.034 6.185 -1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 110 124.423 7.663 -1.788 1.00 0.00 H new ATOM 0 HG3 PRO A 110 126.018 8.186 -1.286 1.00 0.00 H new ATOM 0 HD2 PRO A 110 124.898 9.014 -3.657 1.00 0.00 H new ATOM 0 HD3 PRO A 110 126.632 8.853 -3.461 1.00 0.00 H new ATOM 1687 N PRO A 111 124.399 3.791 -3.698 1.00 0.00 N ATOM 1688 CA PRO A 111 123.133 3.001 -3.810 1.00 0.00 C ATOM 1689 C PRO A 111 122.302 3.035 -2.527 1.00 0.00 C ATOM 1690 O PRO A 111 122.846 3.192 -1.434 1.00 0.00 O ATOM 1691 CB PRO A 111 123.614 1.581 -4.106 1.00 0.00 C ATOM 1692 CG PRO A 111 124.973 1.487 -3.497 1.00 0.00 C ATOM 1693 CD PRO A 111 125.560 2.898 -3.496 1.00 0.00 C ATOM 0 HA PRO A 111 122.474 3.405 -4.579 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.939 0.840 -3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 111 123.651 1.395 -5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.915 1.093 -2.482 1.00 0.00 H new ATOM 0 HG3 PRO A 111 125.605 0.807 -4.068 1.00 0.00 H new ATOM 0 HD2 PRO A 111 126.067 3.115 -2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 111 126.296 3.021 -4.290 1.00 0.00 H new ATOM 1701 N ILE A 112 120.984 2.894 -2.665 1.00 0.00 N ATOM 1702 CA ILE A 112 120.103 2.828 -1.496 1.00 0.00 C ATOM 1703 C ILE A 112 120.387 1.581 -0.640 1.00 0.00 C ATOM 1704 O ILE A 112 120.025 1.569 0.534 1.00 0.00 O ATOM 1705 CB ILE A 112 118.619 2.878 -1.929 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.340 4.231 -2.595 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.678 2.731 -0.721 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.917 4.275 -3.166 1.00 0.00 C ATOM 0 H ILE A 112 120.506 2.824 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 112 120.310 3.700 -0.876 1.00 0.00 H new ATOM 0 HB ILE A 112 118.438 2.054 -2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.470 5.033 -1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 112 119.062 4.404 -3.393 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.643 2.770 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.863 1.776 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.861 3.543 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.742 5.244 -3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.799 3.487 -3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.197 4.125 -2.361 1.00 0.00 H new ATOM 1720 N THR A 113 121.055 0.564 -1.191 1.00 0.00 N ATOM 1721 CA THR A 113 121.201 -0.714 -0.494 1.00 0.00 C ATOM 1722 C THR A 113 121.586 -0.618 0.995 1.00 0.00 C ATOM 1723 O THR A 113 121.041 -1.409 1.769 1.00 0.00 O ATOM 1724 CB THR A 113 122.130 -1.671 -1.263 1.00 0.00 C ATOM 1725 OG1 THR A 113 121.877 -3.001 -0.834 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.615 -1.359 -1.046 1.00 0.00 C ATOM 0 H THR A 113 121.499 0.600 -2.109 1.00 0.00 H new ATOM 0 HA THR A 113 120.195 -1.134 -0.481 1.00 0.00 H new ATOM 0 HB THR A 113 121.919 -1.546 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.463 -3.618 -1.319 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.222 -2.066 -1.612 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.827 -0.345 -1.385 1.00 0.00 H new ATOM 0 HG23 THR A 113 123.854 -1.444 0.014 1.00 0.00 H new ATOM 1734 N PRO A 114 122.430 0.298 1.457 1.00 0.00 N ATOM 1735 CA PRO A 114 122.814 0.325 2.909 1.00 0.00 C ATOM 1736 C PRO A 114 121.600 0.500 3.822 1.00 0.00 C ATOM 1737 O PRO A 114 121.577 -0.011 4.942 1.00 0.00 O ATOM 1738 CB PRO A 114 123.781 1.506 3.043 1.00 0.00 C ATOM 1739 CG PRO A 114 124.264 1.767 1.659 1.00 0.00 C ATOM 1740 CD PRO A 114 123.091 1.415 0.751 1.00 0.00 C ATOM 0 HA PRO A 114 123.269 -0.617 3.215 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.280 2.381 3.458 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.608 1.265 3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.559 2.809 1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.138 1.159 1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.417 2.262 0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.428 1.119 -0.242 1.00 0.00 H new ATOM 1748 N ILE A 115 120.593 1.224 3.339 1.00 0.00 N ATOM 1749 CA ILE A 115 119.350 1.413 4.096 1.00 0.00 C ATOM 1750 C ILE A 115 118.235 0.443 3.684 1.00 0.00 C ATOM 1751 O ILE A 115 117.123 0.544 4.195 1.00 0.00 O ATOM 1752 CB ILE A 115 118.823 2.854 3.968 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.807 3.307 2.499 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.695 3.803 4.795 1.00 0.00 C ATOM 1755 CD1 ILE A 115 118.035 4.626 2.351 1.00 0.00 C ATOM 0 H ILE A 115 120.609 1.689 2.431 1.00 0.00 H new ATOM 0 HA ILE A 115 119.615 1.204 5.132 1.00 0.00 H new ATOM 0 HB ILE A 115 117.801 2.878 4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.828 3.435 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.346 2.537 1.880 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.317 4.821 4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.668 3.502 5.842 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.722 3.762 4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 115 118.034 4.932 1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 115 117.008 4.487 2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.514 5.398 2.954 1.00 0.00 H new ATOM 1767 N ARG A 116 118.510 -0.490 2.773 1.00 0.00 N ATOM 1768 CA ARG A 116 117.500 -1.446 2.330 1.00 0.00 C ATOM 1769 C ARG A 116 117.310 -2.540 3.377 1.00 0.00 C ATOM 1770 O ARG A 116 118.279 -3.019 3.966 1.00 0.00 O ATOM 1771 CB ARG A 116 117.945 -2.071 1.007 1.00 0.00 C ATOM 1772 CG ARG A 116 116.825 -2.942 0.436 1.00 0.00 C ATOM 1773 CD ARG A 116 117.329 -3.645 -0.826 1.00 0.00 C ATOM 1774 NE ARG A 116 117.721 -2.657 -1.836 1.00 0.00 N ATOM 1775 CZ ARG A 116 117.975 -2.968 -3.115 1.00 0.00 C ATOM 1776 NH1 ARG A 116 117.883 -4.195 -3.569 1.00 0.00 N ATOM 1777 NH2 ARG A 116 118.327 -2.019 -3.938 1.00 0.00 N ATOM 0 H ARG A 116 119.422 -0.603 2.329 1.00 0.00 H new ATOM 0 HA ARG A 116 116.552 -0.926 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.206 -1.288 0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.841 -2.672 1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.508 -3.678 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 116 115.954 -2.329 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 116 118.179 -4.282 -0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 116 116.549 -4.294 -1.225 1.00 0.00 H new ATOM 0 HE ARG A 116 117.805 -1.681 -1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 116 117.610 -4.952 -2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 116 118.084 -4.393 -4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 116 118.405 -1.058 -3.605 1.00 0.00 H new ATOM 0 HH22 ARG A 116 118.524 -2.238 -4.915 1.00 0.00 H new ATOM 1791 N ALA A 117 116.061 -2.934 3.606 1.00 0.00 N ATOM 1792 CA ALA A 117 115.762 -3.941 4.618 1.00 0.00 C ATOM 1793 C ALA A 117 115.959 -5.351 4.074 1.00 0.00 C ATOM 1794 O ALA A 117 115.648 -5.631 2.916 1.00 0.00 O ATOM 1795 CB ALA A 117 114.314 -3.787 5.082 1.00 0.00 C ATOM 0 H ALA A 117 115.246 -2.575 3.109 1.00 0.00 H new ATOM 0 HA ALA A 117 116.447 -3.791 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 117 114.092 -4.540 5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.172 -2.793 5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.644 -3.918 4.232 1.00 0.00 H new ATOM 1883 N ILE A 125 114.640 -6.818 0.138 1.00 0.00 N ATOM 1884 CA ILE A 125 113.337 -6.384 -0.353 1.00 0.00 C ATOM 1885 C ILE A 125 113.501 -5.409 -1.520 1.00 0.00 C ATOM 1886 O ILE A 125 114.257 -4.440 -1.437 1.00 0.00 O ATOM 1887 CB ILE A 125 112.559 -5.748 0.807 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.362 -6.797 1.908 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.189 -5.256 0.336 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.825 -6.145 3.186 1.00 0.00 C ATOM 0 HA ILE A 125 112.776 -7.241 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 125 113.125 -4.897 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.668 -7.565 1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.309 -7.294 2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.655 -4.809 1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.320 -4.511 -0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.615 -6.097 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.692 -6.906 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.533 -5.395 3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 125 110.867 -5.670 2.977 1.00 0.00 H new ATOM 1902 N SER A 126 112.775 -5.676 -2.602 1.00 0.00 N ATOM 1903 CA SER A 126 112.911 -4.903 -3.834 1.00 0.00 C ATOM 1904 C SER A 126 112.519 -3.444 -3.645 1.00 0.00 C ATOM 1905 O SER A 126 111.559 -3.124 -2.943 1.00 0.00 O ATOM 1906 CB SER A 126 112.034 -5.521 -4.923 1.00 0.00 C ATOM 1907 OG SER A 126 112.421 -6.873 -5.126 1.00 0.00 O ATOM 0 H SER A 126 112.084 -6.425 -2.651 1.00 0.00 H new ATOM 0 HA SER A 126 113.961 -4.931 -4.124 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.984 -5.471 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 126 112.136 -4.958 -5.851 1.00 0.00 H new ATOM 0 HG SER A 126 111.859 -7.273 -5.823 1.00 0.00 H new ATOM 1913 N LEU A 127 113.284 -2.567 -4.287 1.00 0.00 N ATOM 1914 CA LEU A 127 112.936 -1.146 -4.357 1.00 0.00 C ATOM 1915 C LEU A 127 112.158 -0.804 -5.640 1.00 0.00 C ATOM 1916 O LEU A 127 111.954 0.371 -5.942 1.00 0.00 O ATOM 1917 CB LEU A 127 114.209 -0.293 -4.319 1.00 0.00 C ATOM 1918 CG LEU A 127 115.051 -0.632 -3.083 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.342 0.189 -3.110 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.268 -0.289 -1.815 1.00 0.00 C ATOM 0 H LEU A 127 114.150 -2.812 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 127 112.301 -0.930 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.795 -0.464 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.944 0.764 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 127 115.287 -1.696 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.943 -0.049 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.906 -0.049 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.098 1.251 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.870 -0.531 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 127 114.032 0.775 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.344 -0.866 -1.791 1.00 0.00 H new ATOM 1932 N GLY A 128 111.726 -1.812 -6.401 1.00 0.00 N ATOM 1933 CA GLY A 128 111.092 -1.576 -7.696 1.00 0.00 C ATOM 1934 C GLY A 128 109.989 -0.520 -7.630 1.00 0.00 C ATOM 1935 O GLY A 128 109.934 0.373 -8.476 1.00 0.00 O ATOM 0 H GLY A 128 111.804 -2.796 -6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.849 -1.260 -8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.672 -2.511 -8.066 1.00 0.00 H new ATOM 1939 N ALA A 129 109.126 -0.605 -6.621 1.00 0.00 N ATOM 1940 CA ALA A 129 108.001 0.321 -6.521 1.00 0.00 C ATOM 1941 C ALA A 129 108.493 1.763 -6.441 1.00 0.00 C ATOM 1942 O ALA A 129 108.014 2.638 -7.165 1.00 0.00 O ATOM 1943 CB ALA A 129 107.165 -0.005 -5.282 1.00 0.00 C ATOM 0 H ALA A 129 109.182 -1.294 -5.871 1.00 0.00 H new ATOM 0 HA ALA A 129 107.386 0.211 -7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.328 0.690 -5.215 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.785 -1.024 -5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.785 0.086 -4.390 1.00 0.00 H new ATOM 1949 N LEU A 130 109.476 2.000 -5.580 1.00 0.00 N ATOM 1950 CA LEU A 130 110.006 3.346 -5.400 1.00 0.00 C ATOM 1951 C LEU A 130 110.560 3.885 -6.715 1.00 0.00 C ATOM 1952 O LEU A 130 110.332 5.041 -7.074 1.00 0.00 O ATOM 1953 CB LEU A 130 111.110 3.319 -4.342 1.00 0.00 C ATOM 1954 CG LEU A 130 111.581 4.743 -4.049 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.469 5.513 -3.333 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.819 4.689 -3.152 1.00 0.00 C ATOM 0 H LEU A 130 109.918 1.286 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 130 109.200 4.002 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.740 2.853 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.947 2.714 -4.692 1.00 0.00 H new ATOM 0 HG LEU A 130 111.826 5.246 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.806 6.528 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.584 5.548 -3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.225 5.012 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.159 5.703 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.569 4.187 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.612 4.139 -3.659 1.00 0.00 H new ATOM 1968 N LEU A 131 111.264 3.029 -7.447 1.00 0.00 N ATOM 1969 CA LEU A 131 111.858 3.436 -8.715 1.00 0.00 C ATOM 1970 C LEU A 131 110.777 3.909 -9.682 1.00 0.00 C ATOM 1971 O LEU A 131 110.920 4.950 -10.320 1.00 0.00 O ATOM 1972 CB LEU A 131 112.626 2.260 -9.326 1.00 0.00 C ATOM 1973 CG LEU A 131 113.328 2.690 -10.618 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.510 3.600 -10.284 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.839 1.448 -11.352 1.00 0.00 C ATOM 0 H LEU A 131 111.436 2.058 -7.188 1.00 0.00 H new ATOM 0 HA LEU A 131 112.546 4.261 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.361 1.888 -8.612 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.940 1.439 -9.534 1.00 0.00 H new ATOM 0 HG LEU A 131 112.623 3.230 -11.250 1.00 0.00 H new ATOM 0 HD11 LEU A 131 115.007 3.904 -11.205 1.00 0.00 H new ATOM 0 HD12 LEU A 131 114.151 4.484 -9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.216 3.062 -9.651 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.339 1.749 -12.272 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.543 0.913 -10.715 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.999 0.796 -11.592 1.00 0.00 H new ATOM 1987 N SER A 132 109.686 3.159 -9.759 1.00 0.00 N ATOM 1988 CA SER A 132 108.620 3.485 -10.700 1.00 0.00 C ATOM 1989 C SER A 132 108.072 4.880 -10.429 1.00 0.00 C ATOM 1990 O SER A 132 107.871 5.667 -11.354 1.00 0.00 O ATOM 1991 CB SER A 132 107.493 2.458 -10.590 1.00 0.00 C ATOM 1992 OG SER A 132 108.029 1.154 -10.773 1.00 0.00 O ATOM 0 H SER A 132 109.515 2.330 -9.189 1.00 0.00 H new ATOM 0 HA SER A 132 109.033 3.462 -11.709 1.00 0.00 H new ATOM 0 HB2 SER A 132 107.011 2.532 -9.615 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.728 2.658 -11.340 1.00 0.00 H new ATOM 0 HG SER A 132 108.499 0.876 -9.959 1.00 0.00 H new ATOM 1998 N THR A 133 107.867 5.197 -9.155 1.00 0.00 N ATOM 1999 CA THR A 133 107.305 6.493 -8.793 1.00 0.00 C ATOM 2000 C THR A 133 108.209 7.623 -9.272 1.00 0.00 C ATOM 2001 O THR A 133 107.751 8.581 -9.899 1.00 0.00 O ATOM 2002 CB THR A 133 107.127 6.581 -7.276 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.365 5.470 -6.825 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.400 7.879 -6.918 1.00 0.00 C ATOM 0 H THR A 133 108.078 4.585 -8.367 1.00 0.00 H new ATOM 0 HA THR A 133 106.333 6.594 -9.277 1.00 0.00 H new ATOM 0 HB THR A 133 108.105 6.571 -6.795 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.252 5.524 -5.853 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.274 7.939 -5.837 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.985 8.731 -7.263 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.422 7.892 -7.398 1.00 0.00 H new ATOM 2012 N THR A 134 109.506 7.492 -9.006 1.00 0.00 N ATOM 2013 CA THR A 134 110.448 8.543 -9.371 1.00 0.00 C ATOM 2014 C THR A 134 110.483 8.738 -10.887 1.00 0.00 C ATOM 2015 O THR A 134 110.504 9.867 -11.374 1.00 0.00 O ATOM 2016 CB THR A 134 111.847 8.209 -8.852 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.759 7.856 -7.479 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.752 9.432 -9.006 1.00 0.00 C ATOM 0 H THR A 134 109.923 6.682 -8.547 1.00 0.00 H new ATOM 0 HA THR A 134 110.114 9.473 -8.911 1.00 0.00 H new ATOM 0 HB THR A 134 112.263 7.377 -9.421 1.00 0.00 H new ATOM 0 HG1 THR A 134 111.011 8.335 -7.065 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.750 9.195 -8.636 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.811 9.710 -10.058 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.341 10.263 -8.433 1.00 0.00 H new ATOM 2026 N LEU A 135 110.465 7.636 -11.632 1.00 0.00 N ATOM 2027 CA LEU A 135 110.503 7.714 -13.089 1.00 0.00 C ATOM 2028 C LEU A 135 109.292 8.470 -13.630 1.00 0.00 C ATOM 2029 O LEU A 135 109.404 9.213 -14.605 1.00 0.00 O ATOM 2030 CB LEU A 135 110.549 6.307 -13.691 1.00 0.00 C ATOM 2031 CG LEU A 135 111.854 5.617 -13.289 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.798 4.143 -13.695 1.00 0.00 C ATOM 2033 CD2 LEU A 135 113.028 6.291 -14.003 1.00 0.00 C ATOM 0 H LEU A 135 110.425 6.689 -11.256 1.00 0.00 H new ATOM 0 HA LEU A 135 111.403 8.258 -13.375 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.696 5.724 -13.343 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.475 6.363 -14.777 1.00 0.00 H new ATOM 0 HG LEU A 135 111.987 5.695 -12.210 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.728 3.651 -13.409 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.961 3.659 -13.192 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.665 4.068 -14.774 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.958 5.800 -13.717 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.892 6.211 -15.082 1.00 0.00 H new ATOM 0 HD23 LEU A 135 113.071 7.343 -13.720 1.00 0.00 H new ATOM 2045 N ASN A 136 108.134 8.273 -13.005 1.00 0.00 N ATOM 2046 CA ASN A 136 106.930 8.986 -13.418 1.00 0.00 C ATOM 2047 C ASN A 136 107.150 10.491 -13.320 1.00 0.00 C ATOM 2048 O ASN A 136 106.774 11.247 -14.217 1.00 0.00 O ATOM 2049 CB ASN A 136 105.751 8.582 -12.531 1.00 0.00 C ATOM 2050 CG ASN A 136 104.461 9.197 -13.064 1.00 0.00 C ATOM 2051 OD1 ASN A 136 103.954 10.164 -12.497 1.00 0.00 O ATOM 2052 ND2 ASN A 136 103.898 8.689 -14.126 1.00 0.00 N ATOM 0 H ASN A 136 108.005 7.634 -12.221 1.00 0.00 H new ATOM 0 HA ASN A 136 106.708 8.724 -14.453 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.661 7.496 -12.504 1.00 0.00 H new ATOM 0 HB3 ASN A 136 105.925 8.913 -11.507 1.00 0.00 H new ATOM 0 HD21 ASN A 136 103.035 9.094 -14.489 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.321 7.887 -14.594 1.00 0.00 H new ATOM 2059 N LEU A 137 107.763 10.917 -12.221 1.00 0.00 N ATOM 2060 CA LEU A 137 108.072 12.332 -12.025 1.00 0.00 C ATOM 2061 C LEU A 137 109.048 12.841 -13.085 1.00 0.00 C ATOM 2062 O LEU A 137 108.946 13.984 -13.531 1.00 0.00 O ATOM 2063 CB LEU A 137 108.674 12.549 -10.634 1.00 0.00 C ATOM 2064 CG LEU A 137 107.695 12.068 -9.560 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.354 12.191 -8.183 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.430 12.930 -9.589 1.00 0.00 C ATOM 0 H LEU A 137 108.055 10.309 -11.456 1.00 0.00 H new ATOM 0 HA LEU A 137 107.141 12.892 -12.117 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.616 12.008 -10.548 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.899 13.605 -10.486 1.00 0.00 H new ATOM 0 HG LEU A 137 107.431 11.028 -9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.660 11.849 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.256 11.579 -8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.617 13.232 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.736 12.584 -8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.694 13.970 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.958 12.851 -10.568 1.00 0.00 H new ATOM 2078 N CYS A 138 109.990 11.994 -13.483 1.00 0.00 N ATOM 2079 CA CYS A 138 110.972 12.375 -14.499 1.00 0.00 C ATOM 2080 C CYS A 138 110.307 12.751 -15.828 1.00 0.00 C ATOM 2081 O CYS A 138 110.884 13.511 -16.608 1.00 0.00 O ATOM 2082 CB CYS A 138 111.959 11.225 -14.726 1.00 0.00 C ATOM 2083 SG CYS A 138 113.316 11.306 -13.526 1.00 0.00 S ATOM 0 H CYS A 138 110.097 11.046 -13.123 1.00 0.00 H new ATOM 0 HA CYS A 138 111.501 13.254 -14.131 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.441 10.270 -14.634 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.358 11.275 -15.739 1.00 0.00 H new ATOM 2088 N GLY A 139 109.107 12.232 -16.092 1.00 0.00 N ATOM 2089 CA GLY A 139 108.399 12.568 -17.325 1.00 0.00 C ATOM 2090 C GLY A 139 108.573 11.510 -18.418 1.00 0.00 C ATOM 2091 O GLY A 139 108.419 11.812 -19.602 1.00 0.00 O ATOM 0 H GLY A 139 108.612 11.586 -15.477 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.338 12.688 -17.108 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.759 13.528 -17.695 1.00 0.00 H new