USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 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 -56:sc= 1.11 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.957 K(o=2.1,f=-4!) USER MOD Single : A 59 LYS NZ :NH3+ 147:sc= -2.13 (180deg=-3.51!) USER MOD Single : A 60 GLN : amide:sc= -0.855 K(o=-0.85,f=-2.7!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -75:sc= 0.736 USER MOD Single : A 77 HIS : no HD1:sc= -2.03 K(o=-2,f=-4.4!) 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 164:sc= 0.0224 USER MOD Single : A 101 ASN : amide:sc= -1.73 K(o=-1.7,f=-5.7!) USER MOD Single : A 106 LYS NZ :NH3+ -121:sc= -0.995 (180deg=-3.24!) USER MOD Single : A 109 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=-0.26) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 76:sc= 0.351 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot -30:sc= -0.442 USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 108.892 16.442 -8.414 1.00 0.00 N ATOM 920 CA LYS A 59 109.207 16.080 -7.031 1.00 0.00 C ATOM 921 C LYS A 59 107.977 15.586 -6.266 1.00 0.00 C ATOM 922 O LYS A 59 106.856 16.026 -6.521 1.00 0.00 O ATOM 923 CB LYS A 59 109.779 17.295 -6.293 1.00 0.00 C ATOM 924 CG LYS A 59 111.090 17.744 -6.945 1.00 0.00 C ATOM 925 CD LYS A 59 111.700 18.880 -6.123 1.00 0.00 C ATOM 926 CE LYS A 59 112.936 19.426 -6.839 1.00 0.00 C ATOM 927 NZ LYS A 59 114.039 18.428 -6.759 1.00 0.00 N ATOM 0 HA LYS A 59 109.936 15.270 -7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 59 109.058 18.112 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 59 109.952 17.045 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 59 111.786 16.907 -7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 59 110.906 18.077 -7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.968 19.675 -5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 59 111.972 18.519 -5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 59 112.700 19.640 -7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 59 113.248 20.366 -6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 114.618 18.481 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 114.632 18.632 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 113.637 17.473 -6.670 1.00 0.00 H new ATOM 941 N GLN A 60 108.202 14.670 -5.325 1.00 0.00 N ATOM 942 CA GLN A 60 107.166 14.277 -4.368 1.00 0.00 C ATOM 943 C GLN A 60 107.786 13.822 -3.051 1.00 0.00 C ATOM 944 O GLN A 60 108.912 13.327 -3.021 1.00 0.00 O ATOM 945 CB GLN A 60 106.288 13.141 -4.897 1.00 0.00 C ATOM 946 CG GLN A 60 105.385 13.649 -6.019 1.00 0.00 C ATOM 947 CD GLN A 60 104.348 12.585 -6.369 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.635 11.671 -7.141 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.156 12.631 -5.830 1.00 0.00 N ATOM 0 H GLN A 60 109.092 14.186 -5.204 1.00 0.00 H new ATOM 0 HA GLN A 60 106.548 15.161 -4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.915 12.329 -5.265 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.681 12.734 -4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.887 14.568 -5.710 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.982 13.891 -6.898 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.915 13.387 -5.190 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.468 11.911 -6.050 1.00 0.00 H new ATOM 958 N ASP A 61 107.037 13.979 -1.965 1.00 0.00 N ATOM 959 CA ASP A 61 107.461 13.449 -0.674 1.00 0.00 C ATOM 960 C ASP A 61 106.815 12.086 -0.445 1.00 0.00 C ATOM 961 O ASP A 61 105.599 11.941 -0.577 1.00 0.00 O ATOM 962 CB ASP A 61 107.057 14.408 0.449 1.00 0.00 C ATOM 963 CG ASP A 61 107.760 15.754 0.284 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.865 15.772 -0.234 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.180 16.751 0.681 1.00 0.00 O ATOM 0 H ASP A 61 106.140 14.465 -1.952 1.00 0.00 H new ATOM 0 HA ASP A 61 108.546 13.342 -0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.977 14.552 0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.313 13.974 1.415 1.00 0.00 H new ATOM 970 N ILE A 62 107.624 11.084 -0.106 1.00 0.00 N ATOM 971 CA ILE A 62 107.111 9.726 0.082 1.00 0.00 C ATOM 972 C ILE A 62 107.555 9.172 1.439 1.00 0.00 C ATOM 973 O ILE A 62 108.663 9.459 1.890 1.00 0.00 O ATOM 974 CB ILE A 62 107.593 8.848 -1.084 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.856 7.508 -1.060 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.107 8.611 -1.020 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.466 7.678 -1.684 1.00 0.00 C ATOM 0 H ILE A 62 108.628 11.184 0.043 1.00 0.00 H new ATOM 0 HA ILE A 62 106.021 9.732 0.083 1.00 0.00 H new ATOM 0 HB ILE A 62 107.374 9.372 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.424 6.758 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.765 7.149 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.413 7.987 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.627 9.567 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.358 8.110 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 62 104.940 6.723 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.899 8.414 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.569 8.017 -2.715 1.00 0.00 H new ATOM 989 N SER A 63 106.704 8.372 2.084 1.00 0.00 N ATOM 990 CA SER A 63 107.006 7.907 3.437 1.00 0.00 C ATOM 991 C SER A 63 106.400 6.536 3.732 1.00 0.00 C ATOM 992 O SER A 63 105.465 6.084 3.067 1.00 0.00 O ATOM 993 CB SER A 63 106.491 8.918 4.461 1.00 0.00 C ATOM 994 OG SER A 63 105.072 8.859 4.505 1.00 0.00 O ATOM 0 H SER A 63 105.819 8.039 1.701 1.00 0.00 H new ATOM 0 HA SER A 63 108.090 7.812 3.509 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.906 8.700 5.445 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.817 9.923 4.193 1.00 0.00 H new ATOM 0 HG SER A 63 104.710 9.013 3.607 1.00 0.00 H new ATOM 1000 N GLU A 64 106.934 5.892 4.766 1.00 0.00 N ATOM 1001 CA GLU A 64 106.463 4.574 5.171 1.00 0.00 C ATOM 1002 C GLU A 64 104.961 4.576 5.449 1.00 0.00 C ATOM 1003 O GLU A 64 104.277 3.597 5.161 1.00 0.00 O ATOM 1004 CB GLU A 64 107.219 4.122 6.426 1.00 0.00 C ATOM 1005 CG GLU A 64 106.979 5.114 7.571 1.00 0.00 C ATOM 1006 CD GLU A 64 107.800 4.761 8.815 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.439 3.718 8.836 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.774 5.549 9.746 1.00 0.00 O ATOM 0 H GLU A 64 107.693 6.263 5.338 1.00 0.00 H new ATOM 0 HA GLU A 64 106.652 3.881 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.887 3.127 6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.286 4.052 6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.237 6.120 7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.919 5.124 7.826 1.00 0.00 H new ATOM 1015 N ALA A 65 104.445 5.682 5.978 1.00 0.00 N ATOM 1016 CA ALA A 65 103.033 5.748 6.345 1.00 0.00 C ATOM 1017 C ALA A 65 102.139 5.484 5.138 1.00 0.00 C ATOM 1018 O ALA A 65 101.164 4.738 5.232 1.00 0.00 O ATOM 1019 CB ALA A 65 102.707 7.127 6.923 1.00 0.00 C ATOM 0 H ALA A 65 104.975 6.534 6.160 1.00 0.00 H new ATOM 0 HA ALA A 65 102.844 4.979 7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.652 7.168 7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.316 7.303 7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.920 7.893 6.178 1.00 0.00 H new ATOM 1025 N ASN A 66 102.473 6.097 4.008 1.00 0.00 N ATOM 1026 CA ASN A 66 101.633 5.984 2.818 1.00 0.00 C ATOM 1027 C ASN A 66 101.696 4.573 2.237 1.00 0.00 C ATOM 1028 O ASN A 66 100.669 3.981 1.904 1.00 0.00 O ATOM 1029 CB ASN A 66 102.076 6.978 1.739 1.00 0.00 C ATOM 1030 CG ASN A 66 102.243 8.385 2.311 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.344 8.770 2.700 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.213 9.181 2.373 1.00 0.00 N ATOM 0 H ASN A 66 103.308 6.671 3.889 1.00 0.00 H new ATOM 0 HA ASN A 66 100.611 6.208 3.123 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.018 6.647 1.302 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.341 6.996 0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.320 10.125 2.745 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.300 8.860 2.050 1.00 0.00 H new ATOM 1039 N LEU A 67 102.909 4.044 2.110 1.00 0.00 N ATOM 1040 CA LEU A 67 103.100 2.732 1.492 1.00 0.00 C ATOM 1041 C LEU A 67 102.640 1.579 2.385 1.00 0.00 C ATOM 1042 O LEU A 67 102.301 0.509 1.880 1.00 0.00 O ATOM 1043 CB LEU A 67 104.570 2.541 1.110 1.00 0.00 C ATOM 1044 CG LEU A 67 104.859 3.297 -0.191 1.00 0.00 C ATOM 1045 CD1 LEU A 67 104.955 4.795 0.102 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.173 2.803 -0.810 1.00 0.00 C ATOM 0 H LEU A 67 103.768 4.497 2.423 1.00 0.00 H new ATOM 0 HA LEU A 67 102.476 2.711 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.215 2.908 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.790 1.481 0.984 1.00 0.00 H new ATOM 0 HG LEU A 67 104.049 3.115 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.161 5.334 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 67 104.013 5.144 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.760 4.976 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.367 3.348 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.991 2.972 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.095 1.738 -1.027 1.00 0.00 H new ATOM 1058 N ALA A 68 102.636 1.783 3.703 1.00 0.00 N ATOM 1059 CA ALA A 68 102.281 0.724 4.650 1.00 0.00 C ATOM 1060 C ALA A 68 103.395 -0.335 4.656 1.00 0.00 C ATOM 1061 O ALA A 68 104.552 0.016 4.437 1.00 0.00 O ATOM 1062 CB ALA A 68 100.897 0.140 4.303 1.00 0.00 C ATOM 0 H ALA A 68 102.875 2.673 4.140 1.00 0.00 H new ATOM 0 HA ALA A 68 102.200 1.125 5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.645 -0.646 5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.146 0.929 4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.920 -0.276 3.296 1.00 0.00 H new ATOM 1068 N TYR A 69 103.080 -1.616 4.874 1.00 0.00 N ATOM 1069 CA TYR A 69 104.116 -2.651 4.941 1.00 0.00 C ATOM 1070 C TYR A 69 104.989 -2.684 3.678 1.00 0.00 C ATOM 1071 O TYR A 69 106.110 -3.192 3.712 1.00 0.00 O ATOM 1072 CB TYR A 69 103.465 -4.020 5.138 1.00 0.00 C ATOM 1073 CG TYR A 69 102.705 -4.142 6.439 1.00 0.00 C ATOM 1074 CD1 TYR A 69 103.392 -4.425 7.626 1.00 0.00 C ATOM 1075 CD2 TYR A 69 101.317 -3.971 6.458 1.00 0.00 C ATOM 1076 CE1 TYR A 69 102.689 -4.538 8.831 1.00 0.00 C ATOM 1077 CE2 TYR A 69 100.613 -4.084 7.664 1.00 0.00 C ATOM 1078 CZ TYR A 69 101.300 -4.367 8.850 1.00 0.00 C ATOM 1079 OH TYR A 69 100.607 -4.479 10.038 1.00 0.00 O ATOM 0 H TYR A 69 102.128 -1.958 5.006 1.00 0.00 H new ATOM 0 HA TYR A 69 104.761 -2.410 5.786 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.784 -4.213 4.309 1.00 0.00 H new ATOM 0 HB3 TYR A 69 104.236 -4.789 5.103 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.464 -4.556 7.612 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.788 -3.752 5.543 1.00 0.00 H new ATOM 0 HE1 TYR A 69 103.219 -4.757 9.746 1.00 0.00 H new ATOM 0 HE2 TYR A 69 99.541 -3.953 7.678 1.00 0.00 H new ATOM 0 HH TYR A 69 99.652 -4.331 9.875 1.00 0.00 H new ATOM 1089 N LEU A 70 104.481 -2.145 2.572 1.00 0.00 N ATOM 1090 CA LEU A 70 105.219 -2.135 1.308 1.00 0.00 C ATOM 1091 C LEU A 70 106.553 -1.386 1.418 1.00 0.00 C ATOM 1092 O LEU A 70 107.467 -1.631 0.631 1.00 0.00 O ATOM 1093 CB LEU A 70 104.365 -1.487 0.215 1.00 0.00 C ATOM 1094 CG LEU A 70 103.037 -2.239 0.069 1.00 0.00 C ATOM 1095 CD1 LEU A 70 102.156 -1.517 -0.951 1.00 0.00 C ATOM 1096 CD2 LEU A 70 103.301 -3.666 -0.416 1.00 0.00 C ATOM 0 H LEU A 70 103.560 -1.709 2.524 1.00 0.00 H new ATOM 0 HA LEU A 70 105.439 -3.172 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 70 104.175 -0.443 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 70 104.904 -1.497 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 70 102.534 -2.272 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.211 -2.050 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 70 101.963 -0.500 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 70 102.665 -1.486 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.354 -4.197 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 70 103.806 -3.635 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 70 103.932 -4.185 0.306 1.00 0.00 H new ATOM 1108 N TRP A 71 106.669 -0.476 2.385 1.00 0.00 N ATOM 1109 CA TRP A 71 107.872 0.339 2.528 1.00 0.00 C ATOM 1110 C TRP A 71 109.112 -0.559 2.657 1.00 0.00 C ATOM 1111 O TRP A 71 109.242 -1.260 3.663 1.00 0.00 O ATOM 1112 CB TRP A 71 107.743 1.194 3.787 1.00 0.00 C ATOM 1113 CG TRP A 71 108.731 2.315 3.856 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.708 2.427 4.782 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.856 3.478 2.986 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.413 3.591 4.547 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.933 4.271 3.447 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.145 3.920 1.858 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.294 5.461 2.808 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.504 5.112 1.212 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.576 5.881 1.686 1.00 0.00 C ATOM 0 H TRP A 71 105.946 -0.286 3.079 1.00 0.00 H new ATOM 0 HA TRP A 71 107.982 0.972 1.648 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.735 1.606 3.834 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.868 0.557 4.663 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.905 1.722 5.576 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.195 3.910 5.119 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.315 3.337 1.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.120 6.050 3.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.951 5.439 0.344 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.847 6.798 1.184 1.00 0.00 H new ATOM 1132 N PRO A 72 110.022 -0.571 1.701 1.00 0.00 N ATOM 1133 CA PRO A 72 111.168 -1.528 1.719 1.00 0.00 C ATOM 1134 C PRO A 72 112.409 -1.010 2.446 1.00 0.00 C ATOM 1135 O PRO A 72 113.338 -1.776 2.704 1.00 0.00 O ATOM 1136 CB PRO A 72 111.457 -1.720 0.233 1.00 0.00 C ATOM 1137 CG PRO A 72 111.159 -0.396 -0.386 1.00 0.00 C ATOM 1138 CD PRO A 72 110.124 0.292 0.507 1.00 0.00 C ATOM 0 HA PRO A 72 110.919 -2.439 2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.494 -2.011 0.066 1.00 0.00 H new ATOM 0 HB3 PRO A 72 110.833 -2.506 -0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.064 0.207 -0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 72 110.773 -0.521 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.440 1.301 0.774 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.163 0.382 0.001 1.00 0.00 H new ATOM 1146 N LEU A 73 112.451 0.287 2.737 1.00 0.00 N ATOM 1147 CA LEU A 73 113.643 0.890 3.332 1.00 0.00 C ATOM 1148 C LEU A 73 113.555 0.943 4.853 1.00 0.00 C ATOM 1149 O LEU A 73 112.475 1.098 5.424 1.00 0.00 O ATOM 1150 CB LEU A 73 113.827 2.312 2.806 1.00 0.00 C ATOM 1151 CG LEU A 73 113.924 2.302 1.281 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.928 3.747 0.784 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.222 1.607 0.856 1.00 0.00 C ATOM 0 H LEU A 73 111.682 0.937 2.573 1.00 0.00 H new ATOM 0 HA LEU A 73 114.492 0.265 3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.990 2.935 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.729 2.751 3.232 1.00 0.00 H new ATOM 0 HG LEU A 73 113.077 1.765 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.997 3.757 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 73 113.007 4.241 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.783 4.275 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.291 1.600 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 73 116.075 2.144 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.224 0.582 1.227 1.00 0.00 H new ATOM 1165 N THR A 74 114.711 0.813 5.496 1.00 0.00 N ATOM 1166 CA THR A 74 114.806 0.969 6.943 1.00 0.00 C ATOM 1167 C THR A 74 114.586 2.425 7.345 1.00 0.00 C ATOM 1168 O THR A 74 113.983 2.696 8.383 1.00 0.00 O ATOM 1169 CB THR A 74 116.181 0.506 7.431 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.188 1.321 6.849 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.407 -0.954 7.031 1.00 0.00 C ATOM 0 H THR A 74 115.596 0.600 5.037 1.00 0.00 H new ATOM 0 HA THR A 74 114.031 0.357 7.404 1.00 0.00 H new ATOM 0 HB THR A 74 116.227 0.591 8.517 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.309 1.071 5.909 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.387 -1.279 7.380 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.635 -1.578 7.482 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.360 -1.045 5.946 1.00 0.00 H new ATOM 1179 N VAL A 75 115.072 3.364 6.527 1.00 0.00 N ATOM 1180 CA VAL A 75 114.814 4.777 6.786 1.00 0.00 C ATOM 1181 C VAL A 75 113.316 5.017 6.677 1.00 0.00 C ATOM 1182 O VAL A 75 112.694 4.627 5.693 1.00 0.00 O ATOM 1183 CB VAL A 75 115.574 5.686 5.811 1.00 0.00 C ATOM 1184 CG1 VAL A 75 117.072 5.614 6.117 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.341 5.251 4.359 1.00 0.00 C ATOM 0 H VAL A 75 115.634 3.174 5.698 1.00 0.00 H new ATOM 0 HA VAL A 75 115.168 5.024 7.787 1.00 0.00 H new ATOM 0 HB VAL A 75 115.208 6.705 5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.616 6.259 5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.251 5.946 7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.418 4.587 6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.891 5.912 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.690 4.227 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.277 5.305 4.129 1.00 0.00 H new ATOM 1195 N ASP A 76 112.733 5.636 7.694 1.00 0.00 N ATOM 1196 CA ASP A 76 111.278 5.698 7.796 1.00 0.00 C ATOM 1197 C ASP A 76 110.655 6.441 6.622 1.00 0.00 C ATOM 1198 O ASP A 76 109.544 6.109 6.206 1.00 0.00 O ATOM 1199 CB ASP A 76 110.868 6.365 9.111 1.00 0.00 C ATOM 1200 CG ASP A 76 111.311 5.519 10.303 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.372 4.307 10.165 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.585 6.098 11.342 1.00 0.00 O ATOM 0 H ASP A 76 113.235 6.098 8.452 1.00 0.00 H new ATOM 0 HA ASP A 76 110.906 4.673 7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.314 7.357 9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.787 6.500 9.135 1.00 0.00 H new ATOM 1207 N HIS A 77 111.345 7.453 6.107 1.00 0.00 N ATOM 1208 CA HIS A 77 110.814 8.207 4.979 1.00 0.00 C ATOM 1209 C HIS A 77 111.944 8.721 4.101 1.00 0.00 C ATOM 1210 O HIS A 77 113.118 8.512 4.400 1.00 0.00 O ATOM 1211 CB HIS A 77 109.955 9.372 5.476 1.00 0.00 C ATOM 1212 CG HIS A 77 110.655 10.272 6.456 1.00 0.00 C ATOM 1213 ND1 HIS A 77 111.146 9.808 7.666 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.937 11.616 6.427 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.692 10.854 8.311 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.593 11.981 7.601 1.00 0.00 N ATOM 0 H HIS A 77 112.255 7.765 6.445 1.00 0.00 H new ATOM 0 HA HIS A 77 110.189 7.542 4.383 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.634 9.965 4.619 1.00 0.00 H new ATOM 0 HB3 HIS A 77 109.055 8.973 5.943 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.688 12.287 5.618 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.154 10.791 9.285 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.926 12.909 7.862 1.00 0.00 H new ATOM 1224 N GLY A 78 111.571 9.334 2.985 1.00 0.00 N ATOM 1225 CA GLY A 78 112.540 9.946 2.090 1.00 0.00 C ATOM 1226 C GLY A 78 111.819 10.742 1.009 1.00 0.00 C ATOM 1227 O GLY A 78 110.622 10.569 0.781 1.00 0.00 O ATOM 0 H GLY A 78 110.602 9.420 2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.205 10.601 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.162 9.177 1.633 1.00 0.00 H new ATOM 1231 N THR A 79 112.548 11.637 0.358 1.00 0.00 N ATOM 1232 CA THR A 79 111.972 12.449 -0.708 1.00 0.00 C ATOM 1233 C THR A 79 112.517 12.001 -2.060 1.00 0.00 C ATOM 1234 O THR A 79 113.695 11.685 -2.183 1.00 0.00 O ATOM 1235 CB THR A 79 112.307 13.924 -0.478 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.153 14.229 0.901 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.340 14.779 -1.298 1.00 0.00 C ATOM 0 H THR A 79 113.534 11.820 0.546 1.00 0.00 H new ATOM 0 HA THR A 79 110.889 12.322 -0.702 1.00 0.00 H new ATOM 0 HB THR A 79 113.334 14.128 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.368 15.173 1.053 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.567 15.834 -1.144 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.446 14.536 -2.355 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.317 14.578 -0.980 1.00 0.00 H new ATOM 1245 N ILE A 80 111.658 11.974 -3.073 1.00 0.00 N ATOM 1246 CA ILE A 80 112.069 11.542 -4.407 1.00 0.00 C ATOM 1247 C ILE A 80 112.124 12.737 -5.350 1.00 0.00 C ATOM 1248 O ILE A 80 111.241 13.594 -5.330 1.00 0.00 O ATOM 1249 CB ILE A 80 111.093 10.490 -4.944 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.665 11.047 -4.948 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.160 9.250 -4.051 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.714 10.038 -5.594 1.00 0.00 C ATOM 0 H ILE A 80 110.677 12.244 -2.999 1.00 0.00 H new ATOM 0 HA ILE A 80 113.063 11.099 -4.343 1.00 0.00 H new ATOM 0 HB ILE A 80 111.368 10.228 -5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.345 11.259 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.635 11.990 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.469 8.495 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.174 8.850 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.885 9.521 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.701 10.441 -5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 80 109.028 9.847 -6.620 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.734 9.106 -5.029 1.00 0.00 H new ATOM 1264 N GLU A 81 113.177 12.799 -6.162 1.00 0.00 N ATOM 1265 CA GLU A 81 113.357 13.934 -7.059 1.00 0.00 C ATOM 1266 C GLU A 81 113.949 13.513 -8.398 1.00 0.00 C ATOM 1267 O GLU A 81 114.785 12.611 -8.475 1.00 0.00 O ATOM 1268 CB GLU A 81 114.275 14.967 -6.402 1.00 0.00 C ATOM 1269 CG GLU A 81 113.628 15.481 -5.111 1.00 0.00 C ATOM 1270 CD GLU A 81 114.467 16.583 -4.454 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.596 16.801 -4.868 1.00 0.00 O ATOM 1272 OE2 GLU A 81 113.957 17.202 -3.534 1.00 0.00 O ATOM 0 H GLU A 81 113.907 12.088 -6.217 1.00 0.00 H new ATOM 0 HA GLU A 81 112.374 14.366 -7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 81 115.244 14.520 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 81 114.455 15.796 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 81 112.632 15.865 -5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.503 14.654 -4.412 1.00 0.00 H new ATOM 1279 N CYS A 82 113.487 14.177 -9.453 1.00 0.00 N ATOM 1280 CA CYS A 82 114.055 14.002 -10.785 1.00 0.00 C ATOM 1281 C CYS A 82 114.808 15.264 -11.194 1.00 0.00 C ATOM 1282 O CYS A 82 114.237 16.354 -11.226 1.00 0.00 O ATOM 1283 CB CYS A 82 112.941 13.719 -11.795 1.00 0.00 C ATOM 1284 SG CYS A 82 112.494 11.966 -11.722 1.00 0.00 S ATOM 0 H CYS A 82 112.717 14.844 -9.410 1.00 0.00 H new ATOM 0 HA CYS A 82 114.745 13.159 -10.768 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.070 14.337 -11.575 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.272 13.980 -12.800 1.00 0.00 H new ATOM 1359 N ALA A 88 117.196 9.828 -11.875 1.00 0.00 N ATOM 1360 CA ALA A 88 116.289 9.589 -10.760 1.00 0.00 C ATOM 1361 C ALA A 88 117.073 9.260 -9.495 1.00 0.00 C ATOM 1362 O ALA A 88 117.843 8.298 -9.467 1.00 0.00 O ATOM 1363 CB ALA A 88 115.350 8.430 -11.102 1.00 0.00 C ATOM 0 HA ALA A 88 115.705 10.492 -10.583 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.672 8.252 -10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.772 8.680 -11.992 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.936 7.531 -11.291 1.00 0.00 H new ATOM 1369 N VAL A 89 116.861 10.047 -8.441 1.00 0.00 N ATOM 1370 CA VAL A 89 117.551 9.810 -7.173 1.00 0.00 C ATOM 1371 C VAL A 89 116.587 9.875 -5.991 1.00 0.00 C ATOM 1372 O VAL A 89 115.548 10.536 -6.043 1.00 0.00 O ATOM 1373 CB VAL A 89 118.659 10.845 -6.971 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.708 10.702 -8.075 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.062 12.254 -7.014 1.00 0.00 C ATOM 0 H VAL A 89 116.225 10.845 -8.438 1.00 0.00 H new ATOM 0 HA VAL A 89 117.981 8.809 -7.218 1.00 0.00 H new ATOM 0 HB VAL A 89 119.130 10.680 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.495 11.441 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.139 9.701 -8.040 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.239 10.861 -9.046 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.854 12.989 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.586 12.418 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.320 12.359 -6.222 1.00 0.00 H new ATOM 1385 N PHE A 90 116.969 9.184 -4.923 1.00 0.00 N ATOM 1386 CA PHE A 90 116.202 9.148 -3.682 1.00 0.00 C ATOM 1387 C PHE A 90 116.993 9.826 -2.565 1.00 0.00 C ATOM 1388 O PHE A 90 118.150 9.493 -2.331 1.00 0.00 O ATOM 1389 CB PHE A 90 115.934 7.685 -3.321 1.00 0.00 C ATOM 1390 CG PHE A 90 115.244 7.467 -1.994 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.865 7.673 -1.872 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.989 7.034 -0.890 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.232 7.445 -0.643 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.356 6.808 0.337 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.977 7.011 0.460 1.00 0.00 C ATOM 0 H PHE A 90 117.825 8.629 -4.893 1.00 0.00 H new ATOM 0 HA PHE A 90 115.258 9.678 -3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.325 7.239 -4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.883 7.150 -3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.290 8.007 -2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.053 6.874 -0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.168 7.604 -0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.931 6.477 1.189 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.487 6.833 1.406 1.00 0.00 H new ATOM 1405 N VAL A 91 116.369 10.775 -1.880 1.00 0.00 N ATOM 1406 CA VAL A 91 117.032 11.496 -0.793 1.00 0.00 C ATOM 1407 C VAL A 91 116.461 11.036 0.540 1.00 0.00 C ATOM 1408 O VAL A 91 115.246 10.987 0.710 1.00 0.00 O ATOM 1409 CB VAL A 91 116.807 13.006 -0.956 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.521 13.801 0.149 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.339 13.457 -2.320 1.00 0.00 C ATOM 0 H VAL A 91 115.407 11.066 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 91 118.102 11.289 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 91 115.737 13.198 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.342 14.866 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.136 13.497 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.592 13.604 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.180 14.529 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.405 13.240 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.811 12.924 -3.111 1.00 0.00 H new ATOM 1421 N ALA A 92 117.335 10.719 1.491 1.00 0.00 N ATOM 1422 CA ALA A 92 116.878 10.295 2.814 1.00 0.00 C ATOM 1423 C ALA A 92 116.969 11.450 3.818 1.00 0.00 C ATOM 1424 O ALA A 92 117.769 12.361 3.623 1.00 0.00 O ATOM 1425 CB ALA A 92 117.726 9.122 3.308 1.00 0.00 C ATOM 0 H ALA A 92 118.348 10.746 1.376 1.00 0.00 H new ATOM 0 HA ALA A 92 115.836 9.984 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.379 8.812 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.634 8.288 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.770 9.429 3.370 1.00 0.00 H new ATOM 1431 N PRO A 93 116.184 11.444 4.876 1.00 0.00 N ATOM 1432 CA PRO A 93 116.240 12.533 5.901 1.00 0.00 C ATOM 1433 C PRO A 93 117.662 12.845 6.364 1.00 0.00 C ATOM 1434 O PRO A 93 117.951 13.965 6.787 1.00 0.00 O ATOM 1435 CB PRO A 93 115.408 12.003 7.070 1.00 0.00 C ATOM 1436 CG PRO A 93 114.476 10.999 6.484 1.00 0.00 C ATOM 1437 CD PRO A 93 115.139 10.456 5.219 1.00 0.00 C ATOM 0 HA PRO A 93 115.864 13.470 5.489 1.00 0.00 H new ATOM 0 HB2 PRO A 93 116.045 11.549 7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.859 12.809 7.556 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.281 10.194 7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.515 11.456 6.249 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.571 9.470 5.392 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.416 10.350 4.410 1.00 0.00 H new ATOM 1445 N ASP A 94 118.543 11.857 6.283 1.00 0.00 N ATOM 1446 CA ASP A 94 119.920 12.037 6.740 1.00 0.00 C ATOM 1447 C ASP A 94 120.688 13.086 5.920 1.00 0.00 C ATOM 1448 O ASP A 94 121.773 13.505 6.321 1.00 0.00 O ATOM 1449 CB ASP A 94 120.654 10.688 6.692 1.00 0.00 C ATOM 1450 CG ASP A 94 120.543 10.022 5.315 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.108 10.671 4.378 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.907 8.861 5.212 1.00 0.00 O ATOM 0 H ASP A 94 118.335 10.931 5.910 1.00 0.00 H new ATOM 0 HA ASP A 94 119.879 12.409 7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.705 10.838 6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.241 10.023 7.451 1.00 0.00 H new ATOM 1457 N GLY A 95 120.139 13.511 4.781 1.00 0.00 N ATOM 1458 CA GLY A 95 120.833 14.457 3.903 1.00 0.00 C ATOM 1459 C GLY A 95 121.739 13.761 2.873 1.00 0.00 C ATOM 1460 O GLY A 95 122.528 14.421 2.197 1.00 0.00 O ATOM 0 H GLY A 95 119.221 13.218 4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 95 120.097 15.066 3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.434 15.135 4.509 1.00 0.00 H new ATOM 1464 N THR A 96 121.627 12.440 2.755 1.00 0.00 N ATOM 1465 CA THR A 96 122.425 11.669 1.818 1.00 0.00 C ATOM 1466 C THR A 96 121.598 11.381 0.576 1.00 0.00 C ATOM 1467 O THR A 96 120.411 11.068 0.678 1.00 0.00 O ATOM 1468 CB THR A 96 122.840 10.349 2.472 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.542 10.619 3.676 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.736 9.543 1.526 1.00 0.00 C ATOM 0 H THR A 96 120.979 11.879 3.308 1.00 0.00 H new ATOM 0 HA THR A 96 123.316 12.233 1.542 1.00 0.00 H new ATOM 0 HB THR A 96 121.945 9.766 2.690 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.807 9.774 4.097 1.00 0.00 H new ATOM 0 HG21 THR A 96 124.023 8.607 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.193 9.328 0.606 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.631 10.120 1.293 1.00 0.00 H new ATOM 1478 N THR A 97 122.219 11.494 -0.591 1.00 0.00 N ATOM 1479 CA THR A 97 121.526 11.195 -1.837 1.00 0.00 C ATOM 1480 C THR A 97 121.930 9.813 -2.338 1.00 0.00 C ATOM 1481 O THR A 97 123.113 9.486 -2.425 1.00 0.00 O ATOM 1482 CB THR A 97 121.866 12.248 -2.893 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.584 13.541 -2.378 1.00 0.00 O ATOM 1484 CG2 THR A 97 121.028 12.003 -4.149 1.00 0.00 C ATOM 0 H THR A 97 123.190 11.787 -0.701 1.00 0.00 H new ATOM 0 HA THR A 97 120.452 11.209 -1.654 1.00 0.00 H new ATOM 0 HB THR A 97 122.924 12.180 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.803 14.217 -3.053 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.271 12.754 -4.901 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.246 11.011 -4.544 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.969 12.070 -3.899 1.00 0.00 H new ATOM 1492 N TYR A 98 120.925 9.015 -2.667 1.00 0.00 N ATOM 1493 CA TYR A 98 121.136 7.670 -3.182 1.00 0.00 C ATOM 1494 C TYR A 98 120.614 7.604 -4.614 1.00 0.00 C ATOM 1495 O TYR A 98 119.640 8.273 -4.946 1.00 0.00 O ATOM 1496 CB TYR A 98 120.380 6.657 -2.318 1.00 0.00 C ATOM 1497 CG TYR A 98 120.804 6.626 -0.865 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.874 5.817 -0.461 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.121 7.400 0.082 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.258 5.783 0.887 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.506 7.368 1.427 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.574 6.558 1.832 1.00 0.00 C ATOM 1503 OH TYR A 98 121.954 6.527 3.160 1.00 0.00 O ATOM 0 H TYR A 98 119.943 9.280 -2.585 1.00 0.00 H new ATOM 0 HA TYR A 98 122.200 7.432 -3.160 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.314 6.881 -2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.516 5.663 -2.744 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.403 5.219 -1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.295 8.023 -0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.083 5.158 1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 98 119.979 7.969 2.153 1.00 0.00 H new ATOM 0 HH TYR A 98 121.563 7.293 3.630 1.00 0.00 H new ATOM 1513 N ALA A 99 121.250 6.797 -5.453 1.00 0.00 N ATOM 1514 CA ALA A 99 120.840 6.689 -6.849 1.00 0.00 C ATOM 1515 C ALA A 99 119.750 5.636 -7.013 1.00 0.00 C ATOM 1516 O ALA A 99 119.922 4.483 -6.614 1.00 0.00 O ATOM 1517 CB ALA A 99 122.044 6.318 -7.717 1.00 0.00 C ATOM 0 H ALA A 99 122.045 6.212 -5.196 1.00 0.00 H new ATOM 0 HA ALA A 99 120.444 7.654 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.731 6.239 -8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.810 7.088 -7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.450 5.362 -7.386 1.00 0.00 H new ATOM 1523 N LEU A 100 118.629 6.039 -7.600 1.00 0.00 N ATOM 1524 CA LEU A 100 117.525 5.117 -7.834 1.00 0.00 C ATOM 1525 C LEU A 100 117.777 4.308 -9.097 1.00 0.00 C ATOM 1526 O LEU A 100 117.640 3.084 -9.103 1.00 0.00 O ATOM 1527 CB LEU A 100 116.211 5.883 -7.998 1.00 0.00 C ATOM 1528 CG LEU A 100 115.686 6.336 -6.636 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.728 7.512 -6.836 1.00 0.00 C ATOM 1530 CD2 LEU A 100 114.934 5.180 -5.976 1.00 0.00 C ATOM 0 H LEU A 100 118.461 6.993 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 100 117.454 4.451 -6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.365 6.749 -8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.472 5.249 -8.488 1.00 0.00 H new ATOM 0 HG LEU A 100 116.518 6.641 -6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.349 7.841 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.257 8.335 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.894 7.199 -7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.558 5.499 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.098 4.881 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.609 4.335 -5.844 1.00 0.00 H new ATOM 1542 N ASN A 101 118.146 5.005 -10.169 1.00 0.00 N ATOM 1543 CA ASN A 101 118.342 4.355 -11.469 1.00 0.00 C ATOM 1544 C ASN A 101 119.808 4.369 -11.901 1.00 0.00 C ATOM 1545 O ASN A 101 120.645 5.066 -11.324 1.00 0.00 O ATOM 1546 CB ASN A 101 117.453 5.020 -12.527 1.00 0.00 C ATOM 1547 CG ASN A 101 117.910 6.444 -12.834 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.908 6.918 -12.296 1.00 0.00 O ATOM 1549 ND2 ASN A 101 117.226 7.163 -13.681 1.00 0.00 N ATOM 0 H ASN A 101 118.315 6.011 -10.168 1.00 0.00 H new ATOM 0 HA ASN A 101 118.052 3.309 -11.367 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.470 4.427 -13.442 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.421 5.036 -12.177 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.520 8.116 -13.895 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.397 6.772 -14.129 1.00 0.00 H new ATOM 1556 N ASP A 102 120.109 3.584 -12.930 1.00 0.00 N ATOM 1557 CA ASP A 102 121.489 3.379 -13.354 1.00 0.00 C ATOM 1558 C ASP A 102 122.212 4.697 -13.617 1.00 0.00 C ATOM 1559 O ASP A 102 123.378 4.846 -13.255 1.00 0.00 O ATOM 1560 CB ASP A 102 121.514 2.526 -14.625 1.00 0.00 C ATOM 1561 CG ASP A 102 122.951 2.150 -14.971 1.00 0.00 C ATOM 1562 OD1 ASP A 102 123.439 1.180 -14.417 1.00 0.00 O ATOM 1563 OD2 ASP A 102 123.542 2.838 -15.787 1.00 0.00 O ATOM 0 H ASP A 102 119.417 3.080 -13.485 1.00 0.00 H new ATOM 0 HA ASP A 102 122.009 2.870 -12.543 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.918 1.625 -14.480 1.00 0.00 H new ATOM 0 HB3 ASP A 102 121.064 3.076 -15.451 1.00 0.00 H new ATOM 1568 N ARG A 103 121.529 5.652 -14.240 1.00 0.00 N ATOM 1569 CA ARG A 103 122.171 6.912 -14.604 1.00 0.00 C ATOM 1570 C ARG A 103 122.629 7.678 -13.365 1.00 0.00 C ATOM 1571 O ARG A 103 123.734 8.221 -13.336 1.00 0.00 O ATOM 1572 CB ARG A 103 121.219 7.752 -15.456 1.00 0.00 C ATOM 1573 CG ARG A 103 121.015 7.042 -16.797 1.00 0.00 C ATOM 1574 CD ARG A 103 120.159 7.902 -17.727 1.00 0.00 C ATOM 1575 NE ARG A 103 118.862 8.180 -17.109 1.00 0.00 N ATOM 1576 CZ ARG A 103 117.909 7.253 -16.936 1.00 0.00 C ATOM 1577 NH1 ARG A 103 118.073 6.002 -17.292 1.00 0.00 N ATOM 1578 NH2 ARG A 103 116.784 7.619 -16.391 1.00 0.00 N ATOM 0 H ARG A 103 120.545 5.581 -14.501 1.00 0.00 H new ATOM 0 HA ARG A 103 123.062 6.692 -15.192 1.00 0.00 H new ATOM 0 HB2 ARG A 103 120.265 7.879 -14.945 1.00 0.00 H new ATOM 0 HB3 ARG A 103 121.631 8.749 -15.614 1.00 0.00 H new ATOM 0 HG2 ARG A 103 121.981 6.842 -17.261 1.00 0.00 H new ATOM 0 HG3 ARG A 103 120.533 6.078 -16.636 1.00 0.00 H new ATOM 0 HD2 ARG A 103 120.674 8.838 -17.945 1.00 0.00 H new ATOM 0 HD3 ARG A 103 120.014 7.389 -18.678 1.00 0.00 H new ATOM 0 HE ARG A 103 118.673 9.131 -16.793 1.00 0.00 H new ATOM 0 HH11 ARG A 103 118.951 5.704 -17.718 1.00 0.00 H new ATOM 0 HH12 ARG A 103 117.323 5.327 -17.143 1.00 0.00 H new ATOM 0 HH21 ARG A 103 116.646 8.589 -16.108 1.00 0.00 H new ATOM 0 HH22 ARG A 103 116.041 6.935 -16.247 1.00 0.00 H new ATOM 1592 N ALA A 104 121.801 7.687 -12.325 1.00 0.00 N ATOM 1593 CA ALA A 104 122.185 8.322 -11.066 1.00 0.00 C ATOM 1594 C ALA A 104 123.462 7.691 -10.510 1.00 0.00 C ATOM 1595 O ALA A 104 124.316 8.382 -9.948 1.00 0.00 O ATOM 1596 CB ALA A 104 121.053 8.179 -10.046 1.00 0.00 C ATOM 0 H ALA A 104 120.871 7.268 -12.326 1.00 0.00 H new ATOM 0 HA ALA A 104 122.373 9.379 -11.255 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.345 8.654 -9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.153 8.659 -10.431 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.853 7.122 -9.870 1.00 0.00 H new ATOM 1602 N GLU A 105 123.584 6.372 -10.648 1.00 0.00 N ATOM 1603 CA GLU A 105 124.802 5.687 -10.219 1.00 0.00 C ATOM 1604 C GLU A 105 126.000 6.170 -11.034 1.00 0.00 C ATOM 1605 O GLU A 105 127.077 6.409 -10.492 1.00 0.00 O ATOM 1606 CB GLU A 105 124.645 4.173 -10.379 1.00 0.00 C ATOM 1607 CG GLU A 105 123.518 3.675 -9.467 1.00 0.00 C ATOM 1608 CD GLU A 105 123.370 2.152 -9.524 1.00 0.00 C ATOM 1609 OE1 GLU A 105 123.977 1.524 -10.379 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.640 1.628 -8.699 1.00 0.00 O ATOM 0 H GLU A 105 122.868 5.765 -11.046 1.00 0.00 H new ATOM 0 HA GLU A 105 124.973 5.918 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 105 124.422 3.928 -11.417 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.579 3.671 -10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 105 123.719 3.982 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 105 122.579 4.143 -9.762 1.00 0.00 H new ATOM 1617 N LYS A 106 125.797 6.356 -12.334 1.00 0.00 N ATOM 1618 CA LYS A 106 126.853 6.881 -13.199 1.00 0.00 C ATOM 1619 C LYS A 106 127.341 8.249 -12.714 1.00 0.00 C ATOM 1620 O LYS A 106 128.521 8.578 -12.844 1.00 0.00 O ATOM 1621 CB LYS A 106 126.330 7.003 -14.634 1.00 0.00 C ATOM 1622 CG LYS A 106 127.472 7.409 -15.568 1.00 0.00 C ATOM 1623 CD LYS A 106 126.972 7.430 -17.015 1.00 0.00 C ATOM 1624 CE LYS A 106 125.971 8.573 -17.207 1.00 0.00 C ATOM 1625 NZ LYS A 106 124.597 8.089 -16.891 1.00 0.00 N ATOM 0 H LYS A 106 124.919 6.153 -12.811 1.00 0.00 H new ATOM 0 HA LYS A 106 127.694 6.188 -13.167 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.903 6.054 -14.957 1.00 0.00 H new ATOM 0 HB3 LYS A 106 125.531 7.743 -14.678 1.00 0.00 H new ATOM 0 HG2 LYS A 106 127.850 8.393 -15.289 1.00 0.00 H new ATOM 0 HG3 LYS A 106 128.302 6.709 -15.470 1.00 0.00 H new ATOM 0 HD2 LYS A 106 127.813 7.554 -17.697 1.00 0.00 H new ATOM 0 HD3 LYS A 106 126.501 6.478 -17.259 1.00 0.00 H new ATOM 0 HE2 LYS A 106 126.231 9.411 -16.560 1.00 0.00 H new ATOM 0 HE3 LYS A 106 126.012 8.938 -18.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 123.987 8.207 -17.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 124.635 7.083 -16.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 124.209 8.638 -16.098 1.00 0.00 H new ATOM 1639 N ALA A 107 126.428 9.040 -12.154 1.00 0.00 N ATOM 1640 CA ALA A 107 126.764 10.366 -11.630 1.00 0.00 C ATOM 1641 C ALA A 107 127.481 10.314 -10.272 1.00 0.00 C ATOM 1642 O ALA A 107 127.696 11.354 -9.650 1.00 0.00 O ATOM 1643 CB ALA A 107 125.489 11.197 -11.490 1.00 0.00 C ATOM 0 H ALA A 107 125.446 8.786 -12.050 1.00 0.00 H new ATOM 0 HA ALA A 107 127.452 10.822 -12.342 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.739 12.184 -11.100 1.00 0.00 H new ATOM 0 HB2 ALA A 107 125.014 11.302 -12.465 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.803 10.699 -10.804 1.00 0.00 H new ATOM 1649 N GLY A 108 127.848 9.120 -9.810 1.00 0.00 N ATOM 1650 CA GLY A 108 128.593 8.980 -8.563 1.00 0.00 C ATOM 1651 C GLY A 108 127.712 9.094 -7.318 1.00 0.00 C ATOM 1652 O GLY A 108 128.206 9.428 -6.241 1.00 0.00 O ATOM 0 H GLY A 108 127.642 8.239 -10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 108 129.098 8.014 -8.556 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.368 9.745 -8.523 1.00 0.00 H new ATOM 1656 N HIS A 109 126.416 8.822 -7.459 1.00 0.00 N ATOM 1657 CA HIS A 109 125.536 8.753 -6.298 1.00 0.00 C ATOM 1658 C HIS A 109 125.423 7.295 -5.831 1.00 0.00 C ATOM 1659 O HIS A 109 124.838 6.488 -6.556 1.00 0.00 O ATOM 1660 CB HIS A 109 124.146 9.263 -6.682 1.00 0.00 C ATOM 1661 CG HIS A 109 124.032 10.764 -6.671 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.541 11.537 -5.639 1.00 0.00 N ATOM 1663 CD2 HIS A 109 123.467 11.648 -7.559 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.274 12.824 -5.928 1.00 0.00 C ATOM 1665 NE2 HIS A 109 123.621 12.948 -7.086 1.00 0.00 N ATOM 0 H HIS A 109 125.958 8.648 -8.354 1.00 0.00 H new ATOM 0 HA HIS A 109 125.945 9.367 -5.496 1.00 0.00 H new ATOM 0 HB2 HIS A 109 123.895 8.895 -7.677 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.412 8.846 -5.993 1.00 0.00 H new ATOM 0 HD2 HIS A 109 122.978 11.376 -8.483 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.554 13.656 -5.299 1.00 0.00 H new ATOM 0 HE2 HIS A 109 123.303 13.810 -7.529 1.00 0.00 H new ATOM 1673 N PRO A 110 125.942 6.918 -4.675 1.00 0.00 N ATOM 1674 CA PRO A 110 125.873 5.492 -4.222 1.00 0.00 C ATOM 1675 C PRO A 110 124.430 4.977 -4.218 1.00 0.00 C ATOM 1676 O PRO A 110 123.507 5.770 -4.052 1.00 0.00 O ATOM 1677 CB PRO A 110 126.470 5.494 -2.808 1.00 0.00 C ATOM 1678 CG PRO A 110 126.529 6.923 -2.388 1.00 0.00 C ATOM 1679 CD PRO A 110 126.643 7.740 -3.672 1.00 0.00 C ATOM 0 HA PRO A 110 126.419 4.827 -4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.853 4.911 -2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.463 5.045 -2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 110 125.636 7.201 -1.828 1.00 0.00 H new ATOM 0 HG3 PRO A 110 127.384 7.102 -1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 110 126.180 8.721 -3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 110 127.684 7.907 -3.949 1.00 0.00 H new ATOM 1687 N PRO A 111 124.203 3.693 -4.408 1.00 0.00 N ATOM 1688 CA PRO A 111 122.812 3.148 -4.479 1.00 0.00 C ATOM 1689 C PRO A 111 122.132 3.088 -3.113 1.00 0.00 C ATOM 1690 O PRO A 111 122.797 3.088 -2.077 1.00 0.00 O ATOM 1691 CB PRO A 111 122.983 1.749 -5.074 1.00 0.00 C ATOM 1692 CG PRO A 111 124.379 1.338 -4.752 1.00 0.00 C ATOM 1693 CD PRO A 111 125.201 2.614 -4.572 1.00 0.00 C ATOM 0 HA PRO A 111 122.165 3.788 -5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.262 1.052 -4.647 1.00 0.00 H new ATOM 0 HB3 PRO A 111 122.817 1.759 -6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.402 0.735 -3.844 1.00 0.00 H new ATOM 0 HG3 PRO A 111 124.793 0.725 -5.552 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.853 2.544 -3.701 1.00 0.00 H new ATOM 0 HD3 PRO A 111 125.841 2.796 -5.435 1.00 0.00 H new ATOM 1701 N ILE A 112 120.800 3.039 -3.120 1.00 0.00 N ATOM 1702 CA ILE A 112 120.030 2.959 -1.876 1.00 0.00 C ATOM 1703 C ILE A 112 120.379 1.709 -1.052 1.00 0.00 C ATOM 1704 O ILE A 112 120.014 1.646 0.120 1.00 0.00 O ATOM 1705 CB ILE A 112 118.519 2.977 -2.184 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.176 4.264 -2.942 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.705 2.948 -0.880 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.738 4.208 -3.468 1.00 0.00 C ATOM 0 H ILE A 112 120.233 3.053 -3.968 1.00 0.00 H new ATOM 0 HA ILE A 112 120.295 3.831 -1.278 1.00 0.00 H new ATOM 0 HB ILE A 112 118.274 2.100 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.296 5.124 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.869 4.400 -3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.641 2.961 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.942 2.042 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.954 3.821 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.510 5.130 -4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.630 3.359 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.049 4.095 -2.631 1.00 0.00 H new ATOM 1720 N THR A 113 121.105 0.743 -1.624 1.00 0.00 N ATOM 1721 CA THR A 113 121.327 -0.546 -0.968 1.00 0.00 C ATOM 1722 C THR A 113 121.664 -0.478 0.533 1.00 0.00 C ATOM 1723 O THR A 113 121.104 -1.285 1.272 1.00 0.00 O ATOM 1724 CB THR A 113 122.348 -1.399 -1.744 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.180 -2.760 -1.376 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.800 -0.990 -1.469 1.00 0.00 C ATOM 0 H THR A 113 121.548 0.831 -2.539 1.00 0.00 H new ATOM 0 HA THR A 113 120.356 -1.040 -0.998 1.00 0.00 H new ATOM 0 HB THR A 113 122.161 -1.243 -2.807 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.824 -3.313 -1.865 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.472 -1.627 -2.044 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.947 0.050 -1.761 1.00 0.00 H new ATOM 0 HG23 THR A 113 124.014 -1.102 -0.406 1.00 0.00 H new ATOM 1734 N PRO A 114 122.476 0.439 1.040 1.00 0.00 N ATOM 1735 CA PRO A 114 122.888 0.384 2.483 1.00 0.00 C ATOM 1736 C PRO A 114 121.694 0.419 3.440 1.00 0.00 C ATOM 1737 O PRO A 114 121.755 -0.143 4.534 1.00 0.00 O ATOM 1738 CB PRO A 114 123.792 1.604 2.685 1.00 0.00 C ATOM 1739 CG PRO A 114 124.209 2.015 1.316 1.00 0.00 C ATOM 1740 CD PRO A 114 123.044 1.646 0.405 1.00 0.00 C ATOM 0 HA PRO A 114 123.397 -0.554 2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.259 2.409 3.192 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.656 1.356 3.301 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.416 3.084 1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.121 1.501 1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.311 2.451 0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.379 1.444 -0.612 1.00 0.00 H new ATOM 1748 N ILE A 115 120.612 1.077 3.029 1.00 0.00 N ATOM 1749 CA ILE A 115 119.429 1.226 3.885 1.00 0.00 C ATOM 1750 C ILE A 115 118.313 0.223 3.572 1.00 0.00 C ATOM 1751 O ILE A 115 117.223 0.348 4.125 1.00 0.00 O ATOM 1752 CB ILE A 115 118.856 2.654 3.817 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.734 3.140 2.363 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.754 3.609 4.607 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.962 4.469 2.293 1.00 0.00 C ATOM 0 H ILE A 115 120.526 1.516 2.112 1.00 0.00 H new ATOM 0 HA ILE A 115 119.786 1.018 4.894 1.00 0.00 H new ATOM 0 HB ILE A 115 117.858 2.639 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.728 3.269 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.223 2.386 1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.345 4.618 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.800 3.288 5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.757 3.602 4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.889 4.793 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.961 4.330 2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.489 5.227 2.873 1.00 0.00 H new ATOM 1767 N ARG A 116 118.559 -0.760 2.706 1.00 0.00 N ATOM 1768 CA ARG A 116 117.504 -1.695 2.310 1.00 0.00 C ATOM 1769 C ARG A 116 117.109 -2.597 3.482 1.00 0.00 C ATOM 1770 O ARG A 116 117.934 -2.911 4.339 1.00 0.00 O ATOM 1771 CB ARG A 116 117.957 -2.524 1.097 1.00 0.00 C ATOM 1772 CG ARG A 116 119.074 -3.512 1.470 1.00 0.00 C ATOM 1773 CD ARG A 116 119.701 -4.076 0.192 1.00 0.00 C ATOM 1774 NE ARG A 116 120.680 -5.119 0.511 1.00 0.00 N ATOM 1775 CZ ARG A 116 121.840 -4.882 1.141 1.00 0.00 C ATOM 1776 NH1 ARG A 116 122.207 -3.678 1.504 1.00 0.00 N ATOM 1777 NH2 ARG A 116 122.637 -5.886 1.391 1.00 0.00 N ATOM 0 H ARG A 116 119.466 -0.929 2.270 1.00 0.00 H new ATOM 0 HA ARG A 116 116.621 -1.124 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 116 117.106 -3.072 0.692 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.309 -1.856 0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 116 119.833 -3.010 2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 116 118.671 -4.322 2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 116 118.922 -4.486 -0.451 1.00 0.00 H new ATOM 0 HD3 ARG A 116 120.185 -3.274 -0.366 1.00 0.00 H new ATOM 0 HE ARG A 116 120.467 -6.079 0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 116 121.602 -2.880 1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 116 123.097 -3.539 1.981 1.00 0.00 H new ATOM 0 HH21 ARG A 116 122.373 -6.830 1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 116 123.524 -5.726 1.869 1.00 0.00 H new ATOM 1791 N ALA A 117 115.845 -3.009 3.510 1.00 0.00 N ATOM 1792 CA ALA A 117 115.341 -3.838 4.598 1.00 0.00 C ATOM 1793 C ALA A 117 115.363 -5.319 4.233 1.00 0.00 C ATOM 1794 O ALA A 117 115.089 -5.698 3.093 1.00 0.00 O ATOM 1795 CB ALA A 117 113.904 -3.434 4.924 1.00 0.00 C ATOM 0 H ALA A 117 115.154 -2.783 2.794 1.00 0.00 H new ATOM 0 HA ALA A 117 115.989 -3.684 5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 117 113.527 -4.054 5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 117 113.880 -2.387 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.278 -3.573 4.042 1.00 0.00 H new ATOM 1883 N ILE A 125 113.769 -7.099 0.438 1.00 0.00 N ATOM 1884 CA ILE A 125 112.572 -6.459 -0.096 1.00 0.00 C ATOM 1885 C ILE A 125 112.932 -5.577 -1.291 1.00 0.00 C ATOM 1886 O ILE A 125 113.873 -4.785 -1.235 1.00 0.00 O ATOM 1887 CB ILE A 125 111.896 -5.636 1.010 1.00 0.00 C ATOM 1888 CG1 ILE A 125 111.540 -6.555 2.187 1.00 0.00 C ATOM 1889 CG2 ILE A 125 110.607 -4.999 0.485 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.162 -5.720 3.413 1.00 0.00 C ATOM 0 HA ILE A 125 111.875 -7.223 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 125 112.585 -4.855 1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 125 110.711 -7.206 1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 125 112.386 -7.200 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.138 -4.419 1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 125 110.841 -4.343 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 125 109.923 -5.781 0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 125 110.911 -6.383 4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.003 -5.088 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 125 110.301 -5.094 3.176 1.00 0.00 H new ATOM 1902 N SER A 126 112.167 -5.728 -2.369 1.00 0.00 N ATOM 1903 CA SER A 126 112.441 -5.016 -3.615 1.00 0.00 C ATOM 1904 C SER A 126 112.180 -3.521 -3.487 1.00 0.00 C ATOM 1905 O SER A 126 111.227 -3.092 -2.837 1.00 0.00 O ATOM 1906 CB SER A 126 111.562 -5.584 -4.731 1.00 0.00 C ATOM 1907 OG SER A 126 111.837 -6.970 -4.881 1.00 0.00 O ATOM 0 H SER A 126 111.351 -6.338 -2.405 1.00 0.00 H new ATOM 0 HA SER A 126 113.496 -5.155 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.509 -5.433 -4.493 1.00 0.00 H new ATOM 0 HB3 SER A 126 111.756 -5.059 -5.666 1.00 0.00 H new ATOM 0 HG SER A 126 111.275 -7.340 -5.594 1.00 0.00 H new ATOM 1913 N LEU A 127 113.046 -2.737 -4.119 1.00 0.00 N ATOM 1914 CA LEU A 127 112.832 -1.292 -4.236 1.00 0.00 C ATOM 1915 C LEU A 127 112.081 -0.915 -5.525 1.00 0.00 C ATOM 1916 O LEU A 127 111.922 0.268 -5.824 1.00 0.00 O ATOM 1917 CB LEU A 127 114.180 -0.559 -4.223 1.00 0.00 C ATOM 1918 CG LEU A 127 114.996 -0.939 -2.982 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.349 -0.226 -3.026 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.248 -0.516 -1.715 1.00 0.00 C ATOM 0 H LEU A 127 113.903 -3.073 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 127 112.222 -0.993 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.742 -0.807 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 127 114.013 0.518 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 127 115.145 -2.019 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.931 -0.495 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.890 -0.527 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.192 0.852 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.834 -0.790 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 127 114.094 0.563 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.282 -1.020 -1.677 1.00 0.00 H new ATOM 1932 N GLY A 128 111.620 -1.904 -6.296 1.00 0.00 N ATOM 1933 CA GLY A 128 110.992 -1.636 -7.587 1.00 0.00 C ATOM 1934 C GLY A 128 109.906 -0.565 -7.499 1.00 0.00 C ATOM 1935 O GLY A 128 109.847 0.331 -8.340 1.00 0.00 O ATOM 0 H GLY A 128 111.671 -2.892 -6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.754 -1.318 -8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.558 -2.558 -7.974 1.00 0.00 H new ATOM 1939 N ALA A 129 109.063 -0.641 -6.473 1.00 0.00 N ATOM 1940 CA ALA A 129 107.953 0.300 -6.347 1.00 0.00 C ATOM 1941 C ALA A 129 108.466 1.735 -6.269 1.00 0.00 C ATOM 1942 O ALA A 129 107.980 2.623 -6.972 1.00 0.00 O ATOM 1943 CB ALA A 129 107.136 -0.022 -5.094 1.00 0.00 C ATOM 0 H ALA A 129 109.124 -1.333 -5.727 1.00 0.00 H new ATOM 0 HA ALA A 129 107.320 0.204 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.310 0.684 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.741 -1.035 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.774 0.056 -4.214 1.00 0.00 H new ATOM 1949 N LEU A 130 109.473 1.952 -5.431 1.00 0.00 N ATOM 1950 CA LEU A 130 110.024 3.291 -5.252 1.00 0.00 C ATOM 1951 C LEU A 130 110.553 3.830 -6.577 1.00 0.00 C ATOM 1952 O LEU A 130 110.316 4.987 -6.929 1.00 0.00 O ATOM 1953 CB LEU A 130 111.150 3.240 -4.217 1.00 0.00 C ATOM 1954 CG LEU A 130 111.667 4.653 -3.938 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.597 5.451 -3.191 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.930 4.566 -3.078 1.00 0.00 C ATOM 0 H LEU A 130 109.921 1.227 -4.870 1.00 0.00 H new ATOM 0 HA LEU A 130 109.237 3.958 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.787 2.788 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.963 2.612 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 130 111.897 5.151 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.966 6.457 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.695 5.509 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.367 4.956 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.303 5.570 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.695 4.070 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.693 3.996 -3.608 1.00 0.00 H new ATOM 1968 N LEU A 131 111.243 2.976 -7.325 1.00 0.00 N ATOM 1969 CA LEU A 131 111.808 3.390 -8.603 1.00 0.00 C ATOM 1970 C LEU A 131 110.705 3.851 -9.548 1.00 0.00 C ATOM 1971 O LEU A 131 110.839 4.876 -10.211 1.00 0.00 O ATOM 1972 CB LEU A 131 112.588 2.227 -9.229 1.00 0.00 C ATOM 1973 CG LEU A 131 113.248 2.674 -10.539 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.362 3.677 -10.237 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.845 1.458 -11.251 1.00 0.00 C ATOM 0 H LEU A 131 111.423 2.004 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 131 112.488 4.224 -8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.348 1.873 -8.533 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.916 1.390 -9.419 1.00 0.00 H new ATOM 0 HG LEU A 131 112.499 3.142 -11.177 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.830 3.993 -11.169 1.00 0.00 H new ATOM 0 HD12 LEU A 131 113.942 4.545 -9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.110 3.209 -9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.314 1.776 -12.182 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.592 0.991 -10.609 1.00 0.00 H new ATOM 0 HD23 LEU A 131 113.055 0.740 -11.469 1.00 0.00 H new ATOM 1987 N SER A 132 109.604 3.111 -9.582 1.00 0.00 N ATOM 1988 CA SER A 132 108.518 3.429 -10.502 1.00 0.00 C ATOM 1989 C SER A 132 107.983 4.831 -10.239 1.00 0.00 C ATOM 1990 O SER A 132 107.773 5.606 -11.173 1.00 0.00 O ATOM 1991 CB SER A 132 107.387 2.410 -10.351 1.00 0.00 C ATOM 1992 OG SER A 132 107.912 1.101 -10.522 1.00 0.00 O ATOM 0 H SER A 132 109.439 2.296 -8.991 1.00 0.00 H new ATOM 0 HA SER A 132 108.908 3.388 -11.519 1.00 0.00 H new ATOM 0 HB2 SER A 132 106.925 2.504 -9.368 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.608 2.602 -11.089 1.00 0.00 H new ATOM 0 HG SER A 132 108.405 0.839 -9.717 1.00 0.00 H new ATOM 1998 N THR A 133 107.802 5.169 -8.966 1.00 0.00 N ATOM 1999 CA THR A 133 107.249 6.472 -8.618 1.00 0.00 C ATOM 2000 C THR A 133 108.157 7.591 -9.117 1.00 0.00 C ATOM 2001 O THR A 133 107.701 8.536 -9.768 1.00 0.00 O ATOM 2002 CB THR A 133 107.080 6.583 -7.101 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.315 5.483 -6.631 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.363 7.890 -6.757 1.00 0.00 C ATOM 0 H THR A 133 108.026 4.570 -8.171 1.00 0.00 H new ATOM 0 HA THR A 133 106.275 6.571 -9.097 1.00 0.00 H new ATOM 0 HB THR A 133 108.061 6.575 -6.625 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.207 5.551 -5.659 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.244 7.966 -5.676 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.951 8.734 -7.118 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.382 7.903 -7.232 1.00 0.00 H new ATOM 2012 N THR A 134 109.451 7.460 -8.846 1.00 0.00 N ATOM 2013 CA THR A 134 110.396 8.503 -9.231 1.00 0.00 C ATOM 2014 C THR A 134 110.451 8.656 -10.748 1.00 0.00 C ATOM 2015 O THR A 134 110.514 9.772 -11.262 1.00 0.00 O ATOM 2016 CB THR A 134 111.787 8.189 -8.676 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.670 7.853 -7.302 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.680 9.423 -8.823 1.00 0.00 C ATOM 0 H THR A 134 109.865 6.658 -8.370 1.00 0.00 H new ATOM 0 HA THR A 134 110.053 9.447 -8.807 1.00 0.00 H new ATOM 0 HB THR A 134 112.226 7.355 -9.224 1.00 0.00 H new ATOM 0 HG1 THR A 134 110.908 8.330 -6.912 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.672 9.203 -8.429 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.760 9.691 -9.877 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.245 10.255 -8.269 1.00 0.00 H new ATOM 2026 N LEU A 135 110.406 7.538 -11.470 1.00 0.00 N ATOM 2027 CA LEU A 135 110.445 7.581 -12.928 1.00 0.00 C ATOM 2028 C LEU A 135 109.251 8.353 -13.483 1.00 0.00 C ATOM 2029 O LEU A 135 109.384 9.095 -14.456 1.00 0.00 O ATOM 2030 CB LEU A 135 110.449 6.163 -13.503 1.00 0.00 C ATOM 2031 CG LEU A 135 111.766 5.467 -13.153 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.668 3.981 -13.508 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.907 6.100 -13.953 1.00 0.00 C ATOM 0 H LEU A 135 110.343 6.601 -11.073 1.00 0.00 H new ATOM 0 HA LEU A 135 111.361 8.093 -13.223 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.609 5.596 -13.102 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.322 6.199 -14.585 1.00 0.00 H new ATOM 0 HG LEU A 135 111.960 5.578 -12.086 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.606 3.485 -13.259 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.855 3.525 -12.943 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.473 3.874 -14.575 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.845 5.604 -13.704 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.710 5.988 -15.019 1.00 0.00 H new ATOM 0 HD23 LEU A 135 112.980 7.159 -13.707 1.00 0.00 H new ATOM 2045 N ASN A 136 108.085 8.175 -12.866 1.00 0.00 N ATOM 2046 CA ASN A 136 106.889 8.885 -13.306 1.00 0.00 C ATOM 2047 C ASN A 136 107.118 10.392 -13.245 1.00 0.00 C ATOM 2048 O ASN A 136 106.742 11.126 -14.159 1.00 0.00 O ATOM 2049 CB ASN A 136 105.701 8.509 -12.419 1.00 0.00 C ATOM 2050 CG ASN A 136 104.402 9.002 -13.050 1.00 0.00 C ATOM 2051 OD1 ASN A 136 104.051 8.585 -14.153 1.00 0.00 O ATOM 2052 ND2 ASN A 136 103.665 9.869 -12.412 1.00 0.00 N ATOM 0 H ASN A 136 107.944 7.553 -12.070 1.00 0.00 H new ATOM 0 HA ASN A 136 106.673 8.600 -14.336 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.663 7.428 -12.287 1.00 0.00 H new ATOM 0 HB3 ASN A 136 105.823 8.947 -11.428 1.00 0.00 H new ATOM 0 HD21 ASN A 136 102.795 10.203 -12.827 1.00 0.00 H new ATOM 0 HD22 ASN A 136 103.958 10.213 -11.498 1.00 0.00 H new ATOM 2059 N LEU A 137 107.738 10.843 -12.159 1.00 0.00 N ATOM 2060 CA LEU A 137 108.073 12.257 -12.018 1.00 0.00 C ATOM 2061 C LEU A 137 109.055 12.695 -13.103 1.00 0.00 C ATOM 2062 O LEU A 137 108.942 13.794 -13.647 1.00 0.00 O ATOM 2063 CB LEU A 137 108.686 12.517 -10.640 1.00 0.00 C ATOM 2064 CG LEU A 137 107.705 12.099 -9.541 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.375 12.269 -8.175 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.454 12.980 -9.601 1.00 0.00 C ATOM 0 H LEU A 137 108.016 10.258 -11.371 1.00 0.00 H new ATOM 0 HA LEU A 137 107.155 12.835 -12.124 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.618 11.961 -10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.932 13.574 -10.536 1.00 0.00 H new ATOM 0 HG LEU A 137 107.421 11.057 -9.688 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.680 11.973 -7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.266 11.643 -8.126 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.657 13.313 -8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.759 12.679 -8.817 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.736 14.023 -9.455 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.975 12.866 -10.574 1.00 0.00 H new ATOM 2078 N CYS A 138 110.016 11.830 -13.411 1.00 0.00 N ATOM 2079 CA CYS A 138 110.993 12.122 -14.459 1.00 0.00 C ATOM 2080 C CYS A 138 110.324 12.339 -15.823 1.00 0.00 C ATOM 2081 O CYS A 138 110.880 13.021 -16.683 1.00 0.00 O ATOM 2082 CB CYS A 138 111.995 10.965 -14.567 1.00 0.00 C ATOM 2083 SG CYS A 138 113.344 11.173 -13.375 1.00 0.00 S ATOM 0 H CYS A 138 110.141 10.926 -12.954 1.00 0.00 H new ATOM 0 HA CYS A 138 111.505 13.044 -14.184 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.486 10.018 -14.386 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.400 10.921 -15.578 1.00 0.00 H new ATOM 2088 N GLY A 139 109.139 11.765 -16.025 1.00 0.00 N ATOM 2089 CA GLY A 139 108.435 11.906 -17.298 1.00 0.00 C ATOM 2090 C GLY A 139 108.905 10.893 -18.347 1.00 0.00 C ATOM 2091 O GLY A 139 108.747 11.125 -19.545 1.00 0.00 O ATOM 0 H GLY A 139 108.649 11.202 -15.329 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.365 11.782 -17.133 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.584 12.916 -17.681 1.00 0.00 H new