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 -60:sc= 1.13 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.967 K(o=2.1,f=-3.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.845 K(o=-0.85,f=-2.6!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -75:sc= 0.437 USER MOD Single : A 77 HIS : no HD1:sc= -2.01 K(o=-2,f=-4.3!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 165:sc= 0.027 USER MOD Single : A 101 ASN : amide:sc= -1.51 K(o=-1.5,f=-5.6!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.44) 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 75:sc= 0.201 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot -20:sc= -0.81 USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 109.038 16.571 -8.236 1.00 0.00 N ATOM 920 CA LYS A 59 109.355 16.086 -6.892 1.00 0.00 C ATOM 921 C LYS A 59 108.100 15.700 -6.104 1.00 0.00 C ATOM 922 O LYS A 59 107.053 16.336 -6.229 1.00 0.00 O ATOM 923 CB LYS A 59 110.116 17.177 -6.132 1.00 0.00 C ATOM 924 CG LYS A 59 110.595 16.640 -4.780 1.00 0.00 C ATOM 925 CD LYS A 59 111.427 17.709 -4.071 1.00 0.00 C ATOM 926 CE LYS A 59 110.523 18.876 -3.667 1.00 0.00 C ATOM 927 NZ LYS A 59 111.184 19.666 -2.589 1.00 0.00 N ATOM 0 HA LYS A 59 109.966 15.189 -6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.969 17.514 -6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 59 109.471 18.043 -5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 59 109.740 16.362 -4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 59 111.190 15.738 -4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.907 17.285 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 59 112.222 18.062 -4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 59 110.325 19.512 -4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 59 109.560 18.501 -3.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 110.570 20.459 -2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.351 19.055 -1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 112.092 20.035 -2.936 1.00 0.00 H new ATOM 941 N GLN A 60 108.222 14.651 -5.292 1.00 0.00 N ATOM 942 CA GLN A 60 107.174 14.285 -4.336 1.00 0.00 C ATOM 943 C GLN A 60 107.784 13.866 -3.004 1.00 0.00 C ATOM 944 O GLN A 60 108.910 13.372 -2.954 1.00 0.00 O ATOM 945 CB GLN A 60 106.312 13.123 -4.840 1.00 0.00 C ATOM 946 CG GLN A 60 105.399 13.583 -5.973 1.00 0.00 C ATOM 947 CD GLN A 60 104.406 12.475 -6.314 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.731 11.566 -7.079 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.212 12.476 -5.778 1.00 0.00 N ATOM 0 H GLN A 60 109.037 14.038 -5.276 1.00 0.00 H new ATOM 0 HA GLN A 60 106.549 15.170 -4.215 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.952 12.313 -5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.712 12.726 -4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.864 14.486 -5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.992 13.836 -6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.938 13.227 -5.144 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.555 11.726 -5.994 1.00 0.00 H new ATOM 958 N ASP A 61 107.027 14.047 -1.928 1.00 0.00 N ATOM 959 CA ASP A 61 107.437 13.535 -0.626 1.00 0.00 C ATOM 960 C ASP A 61 106.817 12.158 -0.406 1.00 0.00 C ATOM 961 O ASP A 61 105.602 11.996 -0.520 1.00 0.00 O ATOM 962 CB ASP A 61 106.987 14.489 0.483 1.00 0.00 C ATOM 963 CG ASP A 61 107.667 15.848 0.329 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.784 15.886 -0.163 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.057 16.835 0.707 1.00 0.00 O ATOM 0 H ASP A 61 106.134 14.540 -1.930 1.00 0.00 H new ATOM 0 HA ASP A 61 108.524 13.455 -0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.904 14.612 0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.228 14.063 1.457 1.00 0.00 H new ATOM 970 N ILE A 62 107.646 11.164 -0.093 1.00 0.00 N ATOM 971 CA ILE A 62 107.160 9.794 0.073 1.00 0.00 C ATOM 972 C ILE A 62 107.560 9.249 1.446 1.00 0.00 C ATOM 973 O ILE A 62 108.643 9.557 1.941 1.00 0.00 O ATOM 974 CB ILE A 62 107.712 8.928 -1.071 1.00 0.00 C ATOM 975 CG1 ILE A 62 107.001 7.574 -1.072 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.226 8.722 -0.944 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.608 7.728 -1.692 1.00 0.00 C ATOM 0 H ILE A 62 108.649 11.279 0.050 1.00 0.00 H new ATOM 0 HA ILE A 62 106.071 9.775 0.028 1.00 0.00 H new ATOM 0 HB ILE A 62 107.526 9.447 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.583 6.846 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.917 7.195 -0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.580 8.105 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.728 9.689 -0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.448 8.225 0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 62 105.101 6.763 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 62 105.027 8.442 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.703 8.088 -2.716 1.00 0.00 H new ATOM 989 N SER A 63 106.698 8.430 2.051 1.00 0.00 N ATOM 990 CA SER A 63 106.945 7.980 3.421 1.00 0.00 C ATOM 991 C SER A 63 106.356 6.598 3.696 1.00 0.00 C ATOM 992 O SER A 63 105.456 6.127 2.997 1.00 0.00 O ATOM 993 CB SER A 63 106.354 8.987 4.408 1.00 0.00 C ATOM 994 OG SER A 63 104.936 8.903 4.367 1.00 0.00 O ATOM 0 H SER A 63 105.843 8.072 1.626 1.00 0.00 H new ATOM 0 HA SER A 63 108.025 7.910 3.548 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.714 8.781 5.416 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.678 9.996 4.154 1.00 0.00 H new ATOM 0 HG SER A 63 104.622 9.111 3.462 1.00 0.00 H new ATOM 1000 N GLU A 64 106.865 5.966 4.748 1.00 0.00 N ATOM 1001 CA GLU A 64 106.395 4.647 5.153 1.00 0.00 C ATOM 1002 C GLU A 64 104.887 4.637 5.390 1.00 0.00 C ATOM 1003 O GLU A 64 104.219 3.650 5.091 1.00 0.00 O ATOM 1004 CB GLU A 64 107.121 4.212 6.429 1.00 0.00 C ATOM 1005 CG GLU A 64 106.847 5.217 7.555 1.00 0.00 C ATOM 1006 CD GLU A 64 107.646 4.888 8.821 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.283 3.845 8.874 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.602 5.694 9.736 1.00 0.00 O ATOM 0 H GLU A 64 107.605 6.348 5.337 1.00 0.00 H new ATOM 0 HA GLU A 64 106.612 3.949 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.786 3.218 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.193 4.145 6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.102 6.221 7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.782 5.220 7.788 1.00 0.00 H new ATOM 1015 N ALA A 65 104.347 5.741 5.899 1.00 0.00 N ATOM 1016 CA ALA A 65 102.926 5.798 6.226 1.00 0.00 C ATOM 1017 C ALA A 65 102.067 5.519 4.995 1.00 0.00 C ATOM 1018 O ALA A 65 101.072 4.799 5.077 1.00 0.00 O ATOM 1019 CB ALA A 65 102.573 7.176 6.787 1.00 0.00 C ATOM 0 H ALA A 65 104.865 6.598 6.092 1.00 0.00 H new ATOM 0 HA ALA A 65 102.723 5.032 6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.511 7.209 7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.156 7.362 7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.801 7.940 6.044 1.00 0.00 H new ATOM 1025 N ASN A 66 102.453 6.091 3.859 1.00 0.00 N ATOM 1026 CA ASN A 66 101.650 5.962 2.646 1.00 0.00 C ATOM 1027 C ASN A 66 101.765 4.562 2.049 1.00 0.00 C ATOM 1028 O ASN A 66 100.763 3.956 1.672 1.00 0.00 O ATOM 1029 CB ASN A 66 102.091 6.983 1.592 1.00 0.00 C ATOM 1030 CG ASN A 66 102.155 8.390 2.181 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.231 8.868 2.536 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.059 9.089 2.295 1.00 0.00 N ATOM 0 H ASN A 66 103.305 6.641 3.752 1.00 0.00 H new ATOM 0 HA ASN A 66 100.613 6.147 2.928 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.069 6.705 1.199 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.395 6.968 0.753 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.094 10.033 2.679 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.167 8.691 2.000 1.00 0.00 H new ATOM 1039 N LEU A 67 102.992 4.059 1.946 1.00 0.00 N ATOM 1040 CA LEU A 67 103.219 2.751 1.332 1.00 0.00 C ATOM 1041 C LEU A 67 102.728 1.598 2.206 1.00 0.00 C ATOM 1042 O LEU A 67 102.374 0.539 1.688 1.00 0.00 O ATOM 1043 CB LEU A 67 104.703 2.565 1.008 1.00 0.00 C ATOM 1044 CG LEU A 67 105.040 3.328 -0.277 1.00 0.00 C ATOM 1045 CD1 LEU A 67 105.123 4.825 0.028 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.376 2.838 -0.850 1.00 0.00 C ATOM 0 H LEU A 67 103.836 4.529 2.275 1.00 0.00 H new ATOM 0 HA LEU A 67 102.637 2.730 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.316 2.930 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.931 1.506 0.886 1.00 0.00 H new ATOM 0 HG LEU A 67 104.258 3.149 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.363 5.370 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 67 104.165 5.171 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.901 5.002 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.604 3.388 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 67 107.168 3.003 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.307 1.774 -1.075 1.00 0.00 H new ATOM 1058 N ALA A 68 102.709 1.791 3.525 1.00 0.00 N ATOM 1059 CA ALA A 68 102.321 0.729 4.455 1.00 0.00 C ATOM 1060 C ALA A 68 103.411 -0.357 4.456 1.00 0.00 C ATOM 1061 O ALA A 68 104.586 -0.017 4.331 1.00 0.00 O ATOM 1062 CB ALA A 68 100.923 0.193 4.091 1.00 0.00 C ATOM 0 H ALA A 68 102.958 2.672 3.974 1.00 0.00 H new ATOM 0 HA ALA A 68 102.244 1.112 5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.643 -0.597 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.196 1.003 4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.939 -0.207 3.077 1.00 0.00 H new ATOM 1068 N TYR A 69 103.063 -1.645 4.558 1.00 0.00 N ATOM 1069 CA TYR A 69 104.073 -2.702 4.619 1.00 0.00 C ATOM 1070 C TYR A 69 105.050 -2.627 3.441 1.00 0.00 C ATOM 1071 O TYR A 69 106.207 -3.031 3.561 1.00 0.00 O ATOM 1072 CB TYR A 69 103.387 -4.070 4.621 1.00 0.00 C ATOM 1073 CG TYR A 69 104.348 -5.223 4.786 1.00 0.00 C ATOM 1074 CD1 TYR A 69 104.746 -5.625 6.067 1.00 0.00 C ATOM 1075 CD2 TYR A 69 104.840 -5.892 3.658 1.00 0.00 C ATOM 1076 CE1 TYR A 69 105.636 -6.694 6.220 1.00 0.00 C ATOM 1077 CE2 TYR A 69 105.731 -6.961 3.812 1.00 0.00 C ATOM 1078 CZ TYR A 69 106.129 -7.362 5.093 1.00 0.00 C ATOM 1079 OH TYR A 69 107.007 -8.416 5.245 1.00 0.00 O ATOM 0 H TYR A 69 102.099 -1.976 4.600 1.00 0.00 H new ATOM 0 HA TYR A 69 104.642 -2.563 5.538 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.654 -4.099 5.427 1.00 0.00 H new ATOM 0 HB3 TYR A 69 102.839 -4.195 3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.366 -5.110 6.937 1.00 0.00 H new ATOM 0 HD2 TYR A 69 104.532 -5.583 2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 69 105.943 -7.004 7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 69 106.111 -7.476 2.942 1.00 0.00 H new ATOM 0 HH TYR A 69 107.251 -8.768 4.364 1.00 0.00 H new ATOM 1089 N LEU A 70 104.583 -2.112 2.306 1.00 0.00 N ATOM 1090 CA LEU A 70 105.399 -2.054 1.094 1.00 0.00 C ATOM 1091 C LEU A 70 106.711 -1.293 1.306 1.00 0.00 C ATOM 1092 O LEU A 70 107.684 -1.525 0.588 1.00 0.00 O ATOM 1093 CB LEU A 70 104.606 -1.394 -0.036 1.00 0.00 C ATOM 1094 CG LEU A 70 103.592 -2.390 -0.604 1.00 0.00 C ATOM 1095 CD1 LEU A 70 102.396 -2.507 0.343 1.00 0.00 C ATOM 1096 CD2 LEU A 70 103.110 -1.899 -1.971 1.00 0.00 C ATOM 0 H LEU A 70 103.644 -1.729 2.199 1.00 0.00 H new ATOM 0 HA LEU A 70 105.653 -3.081 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 70 104.091 -0.509 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 70 105.283 -1.061 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 70 104.065 -3.366 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.677 -3.217 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 70 102.737 -2.856 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 70 101.921 -1.532 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.388 -2.607 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 70 102.639 -0.922 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 70 103.960 -1.818 -2.649 1.00 0.00 H new ATOM 1108 N TRP A 71 106.746 -0.391 2.285 1.00 0.00 N ATOM 1109 CA TRP A 71 107.934 0.422 2.527 1.00 0.00 C ATOM 1110 C TRP A 71 109.161 -0.477 2.752 1.00 0.00 C ATOM 1111 O TRP A 71 109.259 -1.101 3.810 1.00 0.00 O ATOM 1112 CB TRP A 71 107.718 1.280 3.774 1.00 0.00 C ATOM 1113 CG TRP A 71 108.699 2.403 3.895 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.644 2.506 4.855 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.852 3.578 3.043 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.356 3.675 4.658 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.911 4.368 3.551 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.180 4.031 1.897 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.290 5.567 2.937 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.556 5.231 1.277 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.608 5.998 1.795 1.00 0.00 C ATOM 0 H TRP A 71 105.969 -0.206 2.920 1.00 0.00 H new ATOM 0 HA TRP A 71 108.106 1.056 1.657 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.708 1.689 3.755 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.789 0.647 4.659 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.815 1.792 5.647 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.119 3.987 5.259 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.366 3.450 1.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.102 6.154 3.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 108.031 5.566 0.395 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.892 6.922 1.312 1.00 0.00 H new ATOM 1132 N PRO A 72 110.090 -0.568 1.821 1.00 0.00 N ATOM 1133 CA PRO A 72 111.251 -1.500 1.958 1.00 0.00 C ATOM 1134 C PRO A 72 112.445 -0.906 2.708 1.00 0.00 C ATOM 1135 O PRO A 72 113.374 -1.632 3.061 1.00 0.00 O ATOM 1136 CB PRO A 72 111.626 -1.789 0.506 1.00 0.00 C ATOM 1137 CG PRO A 72 111.330 -0.519 -0.215 1.00 0.00 C ATOM 1138 CD PRO A 72 110.182 0.157 0.537 1.00 0.00 C ATOM 0 HA PRO A 72 110.985 -2.378 2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.677 -2.062 0.414 1.00 0.00 H new ATOM 0 HB3 PRO A 72 111.045 -2.619 0.103 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.209 0.126 -0.240 1.00 0.00 H new ATOM 0 HG3 PRO A 72 111.051 -0.718 -1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.383 1.217 0.695 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.249 0.089 -0.023 1.00 0.00 H new ATOM 1146 N LEU A 73 112.448 0.409 2.912 1.00 0.00 N ATOM 1147 CA LEU A 73 113.607 1.076 3.502 1.00 0.00 C ATOM 1148 C LEU A 73 113.521 1.128 5.024 1.00 0.00 C ATOM 1149 O LEU A 73 112.440 1.255 5.599 1.00 0.00 O ATOM 1150 CB LEU A 73 113.720 2.504 2.973 1.00 0.00 C ATOM 1151 CG LEU A 73 113.785 2.505 1.445 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.807 3.954 0.959 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.057 1.789 0.979 1.00 0.00 C ATOM 0 H LEU A 73 111.671 1.028 2.681 1.00 0.00 H new ATOM 0 HA LEU A 73 114.485 0.495 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.864 3.091 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.612 2.980 3.381 1.00 0.00 H new ATOM 0 HG LEU A 73 112.918 1.986 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.853 3.972 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.903 4.463 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.681 4.462 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.098 1.793 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.931 2.304 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.048 0.760 1.338 1.00 0.00 H new ATOM 1165 N THR A 74 114.682 1.025 5.663 1.00 0.00 N ATOM 1166 CA THR A 74 114.780 1.170 7.109 1.00 0.00 C ATOM 1167 C THR A 74 114.528 2.617 7.525 1.00 0.00 C ATOM 1168 O THR A 74 113.912 2.864 8.562 1.00 0.00 O ATOM 1169 CB THR A 74 116.168 0.735 7.589 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.152 1.582 7.014 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.429 -0.715 7.171 1.00 0.00 C ATOM 0 H THR A 74 115.571 0.841 5.199 1.00 0.00 H new ATOM 0 HA THR A 74 114.022 0.535 7.567 1.00 0.00 H new ATOM 0 HB THR A 74 116.215 0.808 8.676 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.277 1.346 6.071 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.417 -1.020 7.514 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.674 -1.363 7.616 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.382 -0.795 6.085 1.00 0.00 H new ATOM 1179 N VAL A 75 115.005 3.571 6.721 1.00 0.00 N ATOM 1180 CA VAL A 75 114.720 4.975 6.996 1.00 0.00 C ATOM 1181 C VAL A 75 113.222 5.196 6.842 1.00 0.00 C ATOM 1182 O VAL A 75 112.631 4.783 5.850 1.00 0.00 O ATOM 1183 CB VAL A 75 115.500 5.903 6.056 1.00 0.00 C ATOM 1184 CG1 VAL A 75 116.997 5.764 6.334 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.226 5.543 4.593 1.00 0.00 C ATOM 0 H VAL A 75 115.577 3.400 5.894 1.00 0.00 H new ATOM 0 HA VAL A 75 115.036 5.214 8.012 1.00 0.00 H new ATOM 0 HB VAL A 75 115.178 6.929 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.554 6.423 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.202 6.038 7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.304 4.732 6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.788 6.213 3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.534 4.514 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.161 5.646 4.386 1.00 0.00 H new ATOM 1195 N ASP A 76 112.607 5.824 7.835 1.00 0.00 N ATOM 1196 CA ASP A 76 111.150 5.881 7.891 1.00 0.00 C ATOM 1197 C ASP A 76 110.560 6.612 6.692 1.00 0.00 C ATOM 1198 O ASP A 76 109.461 6.276 6.249 1.00 0.00 O ATOM 1199 CB ASP A 76 110.695 6.558 9.187 1.00 0.00 C ATOM 1200 CG ASP A 76 111.108 5.728 10.400 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.181 4.515 10.277 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.348 6.319 11.440 1.00 0.00 O ATOM 0 H ASP A 76 113.085 6.295 8.603 1.00 0.00 H new ATOM 0 HA ASP A 76 110.785 4.854 7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.131 7.555 9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.612 6.684 9.177 1.00 0.00 H new ATOM 1207 N HIS A 77 111.266 7.617 6.182 1.00 0.00 N ATOM 1208 CA HIS A 77 110.761 8.365 5.037 1.00 0.00 C ATOM 1209 C HIS A 77 111.906 8.833 4.155 1.00 0.00 C ATOM 1210 O HIS A 77 113.073 8.600 4.463 1.00 0.00 O ATOM 1211 CB HIS A 77 109.933 9.563 5.510 1.00 0.00 C ATOM 1212 CG HIS A 77 110.658 10.465 6.471 1.00 0.00 C ATOM 1213 ND1 HIS A 77 111.138 10.015 7.689 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.975 11.801 6.411 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.713 11.061 8.310 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.642 12.174 7.575 1.00 0.00 N ATOM 0 H HIS A 77 112.171 7.927 6.535 1.00 0.00 H new ATOM 0 HA HIS A 77 110.122 7.705 4.450 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.626 10.146 4.641 1.00 0.00 H new ATOM 0 HB3 HIS A 77 109.023 9.198 5.986 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.743 12.460 5.588 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.176 11.007 9.284 1.00 0.00 H new ATOM 0 HE2 HIS A 77 112.000 13.099 7.815 1.00 0.00 H new ATOM 1224 N GLY A 78 111.550 9.427 3.025 1.00 0.00 N ATOM 1225 CA GLY A 78 112.528 10.008 2.121 1.00 0.00 C ATOM 1226 C GLY A 78 111.815 10.789 1.026 1.00 0.00 C ATOM 1227 O GLY A 78 110.614 10.627 0.808 1.00 0.00 O ATOM 0 H GLY A 78 110.583 9.519 2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.200 10.666 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.141 9.222 1.680 1.00 0.00 H new ATOM 1231 N THR A 79 112.550 11.664 0.354 1.00 0.00 N ATOM 1232 CA THR A 79 111.979 12.461 -0.727 1.00 0.00 C ATOM 1233 C THR A 79 112.502 11.971 -2.072 1.00 0.00 C ATOM 1234 O THR A 79 113.672 11.625 -2.197 1.00 0.00 O ATOM 1235 CB THR A 79 112.342 13.934 -0.534 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.185 14.281 0.834 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.401 14.786 -1.385 1.00 0.00 C ATOM 0 H THR A 79 113.538 11.841 0.536 1.00 0.00 H new ATOM 0 HA THR A 79 110.894 12.354 -0.710 1.00 0.00 H new ATOM 0 HB THR A 79 113.375 14.107 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.419 15.224 0.961 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.649 15.840 -1.257 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.511 14.512 -2.434 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.371 14.615 -1.071 1.00 0.00 H new ATOM 1245 N ILE A 80 111.633 11.938 -3.078 1.00 0.00 N ATOM 1246 CA ILE A 80 112.026 11.477 -4.408 1.00 0.00 C ATOM 1247 C ILE A 80 112.076 12.656 -5.373 1.00 0.00 C ATOM 1248 O ILE A 80 111.180 13.501 -5.374 1.00 0.00 O ATOM 1249 CB ILE A 80 111.040 10.418 -4.914 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.608 10.971 -4.896 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.126 9.187 -4.011 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.647 9.952 -5.513 1.00 0.00 C ATOM 0 H ILE A 80 110.657 12.223 -3.000 1.00 0.00 H new ATOM 0 HA ILE A 80 113.018 11.028 -4.348 1.00 0.00 H new ATOM 0 HB ILE A 80 111.296 10.148 -5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.308 11.193 -3.872 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.564 11.908 -5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.428 8.428 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.140 8.787 -4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.872 9.467 -2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.633 10.352 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 80 108.941 9.752 -6.543 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.681 9.026 -4.939 1.00 0.00 H new ATOM 1264 N GLU A 81 113.132 12.719 -6.181 1.00 0.00 N ATOM 1265 CA GLU A 81 113.309 13.850 -7.084 1.00 0.00 C ATOM 1266 C GLU A 81 113.909 13.430 -8.420 1.00 0.00 C ATOM 1267 O GLU A 81 114.750 12.532 -8.490 1.00 0.00 O ATOM 1268 CB GLU A 81 114.212 14.897 -6.427 1.00 0.00 C ATOM 1269 CG GLU A 81 114.244 16.167 -7.288 1.00 0.00 C ATOM 1270 CD GLU A 81 115.205 17.217 -6.723 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.849 16.962 -5.715 1.00 0.00 O ATOM 1272 OE2 GLU A 81 115.285 18.280 -7.318 1.00 0.00 O ATOM 0 H GLU A 81 113.866 12.012 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 81 112.323 14.270 -7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 81 113.845 15.133 -5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 81 115.220 14.500 -6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 81 114.544 15.909 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.241 16.589 -7.350 1.00 0.00 H new ATOM 1279 N CYS A 82 113.447 14.087 -9.477 1.00 0.00 N ATOM 1280 CA CYS A 82 114.011 13.901 -10.809 1.00 0.00 C ATOM 1281 C CYS A 82 114.800 15.144 -11.211 1.00 0.00 C ATOM 1282 O CYS A 82 114.255 16.247 -11.255 1.00 0.00 O ATOM 1283 CB CYS A 82 112.891 13.655 -11.822 1.00 0.00 C ATOM 1284 SG CYS A 82 112.477 11.893 -11.849 1.00 0.00 S ATOM 0 H CYS A 82 112.679 14.757 -9.437 1.00 0.00 H new ATOM 0 HA CYS A 82 114.676 13.038 -10.796 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.012 14.242 -11.557 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.205 13.981 -12.814 1.00 0.00 H new ATOM 1359 N ALA A 88 116.974 9.666 -11.896 1.00 0.00 N ATOM 1360 CA ALA A 88 116.090 9.494 -10.750 1.00 0.00 C ATOM 1361 C ALA A 88 116.896 9.144 -9.506 1.00 0.00 C ATOM 1362 O ALA A 88 117.634 8.158 -9.490 1.00 0.00 O ATOM 1363 CB ALA A 88 115.076 8.384 -11.035 1.00 0.00 C ATOM 0 HA ALA A 88 115.561 10.431 -10.576 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.419 8.261 -10.174 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.482 8.649 -11.910 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.604 7.449 -11.225 1.00 0.00 H new ATOM 1369 N VAL A 89 116.739 9.946 -8.455 1.00 0.00 N ATOM 1370 CA VAL A 89 117.460 9.708 -7.207 1.00 0.00 C ATOM 1371 C VAL A 89 116.520 9.773 -6.004 1.00 0.00 C ATOM 1372 O VAL A 89 115.478 10.431 -6.040 1.00 0.00 O ATOM 1373 CB VAL A 89 118.570 10.747 -7.029 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.593 10.606 -8.157 1.00 0.00 C ATOM 1375 CG2 VAL A 89 117.968 12.156 -7.057 1.00 0.00 C ATOM 0 H VAL A 89 116.124 10.760 -8.442 1.00 0.00 H new ATOM 0 HA VAL A 89 117.893 8.709 -7.263 1.00 0.00 H new ATOM 0 HB VAL A 89 119.063 10.584 -6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.382 11.347 -8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.027 9.606 -8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.101 10.764 -9.117 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.761 12.893 -6.930 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.470 12.320 -8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.244 12.259 -6.248 1.00 0.00 H new ATOM 1385 N PHE A 90 116.924 9.094 -4.937 1.00 0.00 N ATOM 1386 CA PHE A 90 116.176 9.074 -3.685 1.00 0.00 C ATOM 1387 C PHE A 90 116.979 9.764 -2.585 1.00 0.00 C ATOM 1388 O PHE A 90 118.140 9.437 -2.363 1.00 0.00 O ATOM 1389 CB PHE A 90 115.903 7.618 -3.296 1.00 0.00 C ATOM 1390 CG PHE A 90 115.223 7.437 -1.958 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.848 7.665 -1.827 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.972 7.021 -0.849 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.222 7.478 -0.589 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.346 6.834 0.388 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.971 7.061 0.518 1.00 0.00 C ATOM 0 H PHE A 90 117.781 8.541 -4.915 1.00 0.00 H new ATOM 0 HA PHE A 90 115.233 9.606 -3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.284 7.160 -4.067 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.849 7.076 -3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.270 7.985 -2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.033 6.845 -0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.161 7.655 -0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.924 6.514 1.243 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.488 6.914 1.473 1.00 0.00 H new ATOM 1405 N VAL A 91 116.359 10.718 -1.903 1.00 0.00 N ATOM 1406 CA VAL A 91 117.027 11.448 -0.827 1.00 0.00 C ATOM 1407 C VAL A 91 116.455 11.012 0.516 1.00 0.00 C ATOM 1408 O VAL A 91 115.240 10.981 0.691 1.00 0.00 O ATOM 1409 CB VAL A 91 116.814 12.956 -1.014 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.525 13.757 0.086 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.370 13.382 -2.375 1.00 0.00 C ATOM 0 H VAL A 91 115.396 11.006 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 91 118.095 11.231 -0.853 1.00 0.00 H new ATOM 0 HB VAL A 91 115.744 13.159 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.356 14.822 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.130 13.468 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.595 13.550 0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.220 14.453 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.435 13.156 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.851 12.840 -3.166 1.00 0.00 H new ATOM 1421 N ALA A 92 117.330 10.701 1.466 1.00 0.00 N ATOM 1422 CA ALA A 92 116.874 10.300 2.797 1.00 0.00 C ATOM 1423 C ALA A 92 116.981 11.468 3.782 1.00 0.00 C ATOM 1424 O ALA A 92 117.789 12.370 3.567 1.00 0.00 O ATOM 1425 CB ALA A 92 117.715 9.127 3.303 1.00 0.00 C ATOM 0 H ALA A 92 118.343 10.717 1.346 1.00 0.00 H new ATOM 0 HA ALA A 92 115.829 9.997 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.370 8.833 4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.613 8.284 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.762 9.426 3.357 1.00 0.00 H new ATOM 1431 N PRO A 93 116.203 11.486 4.846 1.00 0.00 N ATOM 1432 CA PRO A 93 116.276 12.592 5.851 1.00 0.00 C ATOM 1433 C PRO A 93 117.703 12.906 6.294 1.00 0.00 C ATOM 1434 O PRO A 93 118.000 14.029 6.703 1.00 0.00 O ATOM 1435 CB PRO A 93 115.453 12.085 7.037 1.00 0.00 C ATOM 1436 CG PRO A 93 114.508 11.081 6.476 1.00 0.00 C ATOM 1437 CD PRO A 93 115.153 10.513 5.212 1.00 0.00 C ATOM 0 HA PRO A 93 115.901 13.524 5.427 1.00 0.00 H new ATOM 0 HB2 PRO A 93 116.095 11.637 7.795 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.915 12.902 7.518 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.314 10.289 7.199 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.548 11.543 6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.577 9.526 5.395 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.421 10.402 4.412 1.00 0.00 H new ATOM 1445 N ASP A 94 118.582 11.914 6.215 1.00 0.00 N ATOM 1446 CA ASP A 94 119.964 12.095 6.654 1.00 0.00 C ATOM 1447 C ASP A 94 120.729 13.127 5.812 1.00 0.00 C ATOM 1448 O ASP A 94 121.820 13.547 6.194 1.00 0.00 O ATOM 1449 CB ASP A 94 120.692 10.742 6.620 1.00 0.00 C ATOM 1450 CG ASP A 94 120.589 10.069 5.247 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.165 10.716 4.304 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.946 8.905 5.154 1.00 0.00 O ATOM 0 H ASP A 94 118.367 10.984 5.855 1.00 0.00 H new ATOM 0 HA ASP A 94 119.934 12.484 7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.742 10.889 6.874 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.269 10.084 7.379 1.00 0.00 H new ATOM 1457 N GLY A 95 120.170 13.538 4.671 1.00 0.00 N ATOM 1458 CA GLY A 95 120.853 14.476 3.779 1.00 0.00 C ATOM 1459 C GLY A 95 121.738 13.774 2.736 1.00 0.00 C ATOM 1460 O GLY A 95 122.505 14.431 2.031 1.00 0.00 O ATOM 0 H GLY A 95 119.251 13.238 4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 95 120.111 15.087 3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.467 15.152 4.373 1.00 0.00 H new ATOM 1464 N THR A 96 121.634 12.450 2.637 1.00 0.00 N ATOM 1465 CA THR A 96 122.421 11.676 1.691 1.00 0.00 C ATOM 1466 C THR A 96 121.573 11.364 0.468 1.00 0.00 C ATOM 1467 O THR A 96 120.386 11.062 0.595 1.00 0.00 O ATOM 1468 CB THR A 96 122.862 10.367 2.350 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.569 10.655 3.547 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.765 9.576 1.398 1.00 0.00 C ATOM 0 H THR A 96 121.003 11.889 3.210 1.00 0.00 H new ATOM 0 HA THR A 96 123.299 12.248 1.391 1.00 0.00 H new ATOM 0 HB THR A 96 121.980 9.769 2.580 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.850 9.817 3.970 1.00 0.00 H new ATOM 0 HG21 THR A 96 124.073 8.647 1.877 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.218 9.349 0.483 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.647 10.169 1.156 1.00 0.00 H new ATOM 1478 N THR A 97 122.180 11.440 -0.709 1.00 0.00 N ATOM 1479 CA THR A 97 121.465 11.122 -1.940 1.00 0.00 C ATOM 1480 C THR A 97 121.898 9.757 -2.459 1.00 0.00 C ATOM 1481 O THR A 97 123.089 9.463 -2.566 1.00 0.00 O ATOM 1482 CB THR A 97 121.747 12.190 -2.999 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.440 13.472 -2.471 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.885 11.926 -4.236 1.00 0.00 C ATOM 0 H THR A 97 123.154 11.715 -0.838 1.00 0.00 H new ATOM 0 HA THR A 97 120.396 11.100 -1.729 1.00 0.00 H new ATOM 0 HB THR A 97 122.800 12.155 -3.278 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.622 14.157 -3.148 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.087 12.687 -4.989 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.122 10.942 -4.642 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.831 11.960 -3.959 1.00 0.00 H new ATOM 1492 N TYR A 98 120.911 8.933 -2.776 1.00 0.00 N ATOM 1493 CA TYR A 98 121.149 7.597 -3.301 1.00 0.00 C ATOM 1494 C TYR A 98 120.592 7.514 -4.719 1.00 0.00 C ATOM 1495 O TYR A 98 119.603 8.171 -5.032 1.00 0.00 O ATOM 1496 CB TYR A 98 120.443 6.566 -2.417 1.00 0.00 C ATOM 1497 CG TYR A 98 120.868 6.594 -0.964 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.957 5.824 -0.533 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.168 7.385 -0.043 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.342 5.846 0.813 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.554 7.407 1.303 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.641 6.638 1.733 1.00 0.00 C ATOM 1503 OH TYR A 98 122.023 6.656 3.061 1.00 0.00 O ATOM 0 H TYR A 98 119.924 9.171 -2.677 1.00 0.00 H new ATOM 0 HA TYR A 98 122.219 7.391 -3.311 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.367 6.734 -2.472 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.631 5.571 -2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.499 5.213 -1.240 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.328 7.979 -0.372 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.181 5.251 1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 98 120.012 8.018 2.010 1.00 0.00 H new ATOM 0 HH TYR A 98 121.603 7.418 3.512 1.00 0.00 H new ATOM 1513 N ALA A 99 121.216 6.709 -5.570 1.00 0.00 N ATOM 1514 CA ALA A 99 120.772 6.587 -6.955 1.00 0.00 C ATOM 1515 C ALA A 99 119.690 5.520 -7.084 1.00 0.00 C ATOM 1516 O ALA A 99 119.885 4.373 -6.683 1.00 0.00 O ATOM 1517 CB ALA A 99 121.957 6.225 -7.853 1.00 0.00 C ATOM 0 H ALA A 99 122.024 6.135 -5.330 1.00 0.00 H new ATOM 0 HA ALA A 99 120.357 7.545 -7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.618 6.136 -8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.715 7.005 -7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.383 5.276 -7.528 1.00 0.00 H new ATOM 1523 N LEU A 100 118.546 5.905 -7.645 1.00 0.00 N ATOM 1524 CA LEU A 100 117.456 4.962 -7.853 1.00 0.00 C ATOM 1525 C LEU A 100 117.694 4.165 -9.127 1.00 0.00 C ATOM 1526 O LEU A 100 117.589 2.938 -9.137 1.00 0.00 O ATOM 1527 CB LEU A 100 116.120 5.698 -7.976 1.00 0.00 C ATOM 1528 CG LEU A 100 115.651 6.177 -6.605 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.622 7.292 -6.791 1.00 0.00 C ATOM 1530 CD2 LEU A 100 115.001 5.009 -5.864 1.00 0.00 C ATOM 0 H LEU A 100 118.353 6.856 -7.960 1.00 0.00 H new ATOM 0 HA LEU A 100 117.421 4.292 -6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.226 6.549 -8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.372 5.037 -8.413 1.00 0.00 H new ATOM 0 HG LEU A 100 116.499 6.551 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.282 7.640 -5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.077 8.121 -7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.772 6.912 -7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.663 5.343 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.148 4.644 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.727 4.205 -5.743 1.00 0.00 H new ATOM 1542 N ASN A 101 118.016 4.878 -10.205 1.00 0.00 N ATOM 1543 CA ASN A 101 118.225 4.234 -11.504 1.00 0.00 C ATOM 1544 C ASN A 101 119.701 4.230 -11.899 1.00 0.00 C ATOM 1545 O ASN A 101 120.530 4.915 -11.297 1.00 0.00 O ATOM 1546 CB ASN A 101 117.369 4.915 -12.580 1.00 0.00 C ATOM 1547 CG ASN A 101 117.862 6.328 -12.886 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.843 6.793 -12.309 1.00 0.00 O ATOM 1549 ND2 ASN A 101 117.229 7.044 -13.775 1.00 0.00 N ATOM 0 H ASN A 101 118.137 5.891 -10.208 1.00 0.00 H new ATOM 0 HA ASN A 101 117.911 3.194 -11.418 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.388 4.318 -13.492 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.332 4.956 -12.247 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.548 7.988 -13.991 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.415 6.659 -14.254 1.00 0.00 H new ATOM 1556 N ASP A 102 120.020 3.451 -12.926 1.00 0.00 N ATOM 1557 CA ASP A 102 121.411 3.227 -13.307 1.00 0.00 C ATOM 1558 C ASP A 102 122.152 4.537 -13.560 1.00 0.00 C ATOM 1559 O ASP A 102 123.304 4.685 -13.154 1.00 0.00 O ATOM 1560 CB ASP A 102 121.468 2.362 -14.568 1.00 0.00 C ATOM 1561 CG ASP A 102 120.909 0.968 -14.289 1.00 0.00 C ATOM 1562 OD1 ASP A 102 121.027 0.509 -13.164 1.00 0.00 O ATOM 1563 OD2 ASP A 102 120.368 0.377 -15.209 1.00 0.00 O ATOM 0 H ASP A 102 119.338 2.965 -13.508 1.00 0.00 H new ATOM 0 HA ASP A 102 121.901 2.718 -12.477 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.897 2.836 -15.367 1.00 0.00 H new ATOM 0 HB3 ASP A 102 122.498 2.284 -14.916 1.00 0.00 H new ATOM 1568 N ARG A 103 121.495 5.489 -14.216 1.00 0.00 N ATOM 1569 CA ARG A 103 122.159 6.737 -14.583 1.00 0.00 C ATOM 1570 C ARG A 103 122.592 7.521 -13.347 1.00 0.00 C ATOM 1571 O ARG A 103 123.711 8.033 -13.289 1.00 0.00 O ATOM 1572 CB ARG A 103 121.233 7.573 -15.468 1.00 0.00 C ATOM 1573 CG ARG A 103 121.053 6.848 -16.805 1.00 0.00 C ATOM 1574 CD ARG A 103 120.220 7.703 -17.762 1.00 0.00 C ATOM 1575 NE ARG A 103 118.907 7.986 -17.178 1.00 0.00 N ATOM 1576 CZ ARG A 103 117.954 7.059 -17.016 1.00 0.00 C ATOM 1577 NH1 ARG A 103 118.128 5.805 -17.357 1.00 0.00 N ATOM 1578 NH2 ARG A 103 116.815 7.427 -16.501 1.00 0.00 N ATOM 0 H ARG A 103 120.518 5.423 -14.501 1.00 0.00 H new ATOM 0 HA ARG A 103 123.062 6.498 -15.144 1.00 0.00 H new ATOM 0 HB2 ARG A 103 120.268 7.713 -14.980 1.00 0.00 H new ATOM 0 HB3 ARG A 103 121.656 8.565 -15.629 1.00 0.00 H new ATOM 0 HG2 ARG A 103 122.027 6.638 -17.247 1.00 0.00 H new ATOM 0 HG3 ARG A 103 120.563 5.888 -16.643 1.00 0.00 H new ATOM 0 HD2 ARG A 103 120.741 8.637 -17.973 1.00 0.00 H new ATOM 0 HD3 ARG A 103 120.099 7.184 -18.713 1.00 0.00 H new ATOM 0 HE ARG A 103 118.708 8.940 -16.879 1.00 0.00 H new ATOM 0 HH11 ARG A 103 119.015 5.505 -17.762 1.00 0.00 H new ATOM 0 HH12 ARG A 103 117.377 5.129 -17.217 1.00 0.00 H new ATOM 0 HH21 ARG A 103 116.667 8.400 -16.233 1.00 0.00 H new ATOM 0 HH22 ARG A 103 116.071 6.742 -16.366 1.00 0.00 H new ATOM 1592 N ALA A 104 121.727 7.581 -12.339 1.00 0.00 N ATOM 1593 CA ALA A 104 122.077 8.247 -11.088 1.00 0.00 C ATOM 1594 C ALA A 104 123.321 7.609 -10.468 1.00 0.00 C ATOM 1595 O ALA A 104 124.176 8.297 -9.905 1.00 0.00 O ATOM 1596 CB ALA A 104 120.912 8.155 -10.103 1.00 0.00 C ATOM 0 H ALA A 104 120.789 7.182 -12.362 1.00 0.00 H new ATOM 0 HA ALA A 104 122.289 9.294 -11.304 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.182 8.654 -9.173 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.034 8.637 -10.532 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.688 7.108 -9.901 1.00 0.00 H new ATOM 1602 N GLU A 105 123.410 6.284 -10.553 1.00 0.00 N ATOM 1603 CA GLU A 105 124.587 5.579 -10.056 1.00 0.00 C ATOM 1604 C GLU A 105 125.829 6.014 -10.831 1.00 0.00 C ATOM 1605 O GLU A 105 126.885 6.256 -10.249 1.00 0.00 O ATOM 1606 CB GLU A 105 124.388 4.070 -10.194 1.00 0.00 C ATOM 1607 CG GLU A 105 125.485 3.340 -9.412 1.00 0.00 C ATOM 1608 CD GLU A 105 125.401 1.819 -9.586 1.00 0.00 C ATOM 1609 OE1 GLU A 105 124.537 1.345 -10.310 1.00 0.00 O ATOM 1610 OE2 GLU A 105 126.216 1.141 -8.982 1.00 0.00 O ATOM 0 H GLU A 105 122.691 5.684 -10.956 1.00 0.00 H new ATOM 0 HA GLU A 105 124.726 5.825 -9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 105 123.406 3.785 -9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 105 124.422 3.782 -11.245 1.00 0.00 H new ATOM 0 HG2 GLU A 105 126.462 3.689 -9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 105 125.402 3.589 -8.354 1.00 0.00 H new ATOM 1617 N LYS A 106 125.687 6.154 -12.144 1.00 0.00 N ATOM 1618 CA LYS A 106 126.784 6.634 -12.986 1.00 0.00 C ATOM 1619 C LYS A 106 127.278 8.011 -12.533 1.00 0.00 C ATOM 1620 O LYS A 106 128.463 8.322 -12.646 1.00 0.00 O ATOM 1621 CB LYS A 106 126.322 6.715 -14.442 1.00 0.00 C ATOM 1622 CG LYS A 106 127.536 6.896 -15.355 1.00 0.00 C ATOM 1623 CD LYS A 106 127.078 7.413 -16.720 1.00 0.00 C ATOM 1624 CE LYS A 106 126.338 6.301 -17.466 1.00 0.00 C ATOM 1625 NZ LYS A 106 126.077 6.732 -18.869 1.00 0.00 N ATOM 0 H LYS A 106 124.827 5.943 -12.650 1.00 0.00 H new ATOM 0 HA LYS A 106 127.609 5.928 -12.895 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.782 5.808 -14.714 1.00 0.00 H new ATOM 0 HB3 LYS A 106 125.631 7.548 -14.569 1.00 0.00 H new ATOM 0 HG2 LYS A 106 128.240 7.597 -14.907 1.00 0.00 H new ATOM 0 HG3 LYS A 106 128.061 5.948 -15.471 1.00 0.00 H new ATOM 0 HD2 LYS A 106 126.425 8.277 -16.593 1.00 0.00 H new ATOM 0 HD3 LYS A 106 127.938 7.746 -17.302 1.00 0.00 H new ATOM 0 HE2 LYS A 106 126.932 5.387 -17.460 1.00 0.00 H new ATOM 0 HE3 LYS A 106 125.398 6.074 -16.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 125.574 5.976 -19.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 125.494 7.594 -18.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 126.980 6.927 -19.346 1.00 0.00 H new ATOM 1639 N ALA A 107 126.360 8.829 -12.021 1.00 0.00 N ATOM 1640 CA ALA A 107 126.697 10.166 -11.528 1.00 0.00 C ATOM 1641 C ALA A 107 127.357 10.147 -10.141 1.00 0.00 C ATOM 1642 O ALA A 107 127.529 11.198 -9.525 1.00 0.00 O ATOM 1643 CB ALA A 107 125.430 11.021 -11.465 1.00 0.00 C ATOM 0 H ALA A 107 125.372 8.589 -11.936 1.00 0.00 H new ATOM 0 HA ALA A 107 127.420 10.587 -12.226 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.681 12.016 -11.098 1.00 0.00 H new ATOM 0 HB2 ALA A 107 124.995 11.100 -12.461 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.711 10.556 -10.791 1.00 0.00 H new ATOM 1649 N GLY A 108 127.728 8.965 -9.648 1.00 0.00 N ATOM 1650 CA GLY A 108 128.433 8.854 -8.375 1.00 0.00 C ATOM 1651 C GLY A 108 127.513 8.970 -7.161 1.00 0.00 C ATOM 1652 O GLY A 108 127.967 9.326 -6.073 1.00 0.00 O ATOM 0 H GLY A 108 127.552 8.074 -10.111 1.00 0.00 H new ATOM 0 HA2 GLY A 108 128.953 7.896 -8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.194 9.632 -8.321 1.00 0.00 H new ATOM 1656 N HIS A 109 126.226 8.675 -7.339 1.00 0.00 N ATOM 1657 CA HIS A 109 125.322 8.569 -6.201 1.00 0.00 C ATOM 1658 C HIS A 109 125.229 7.097 -5.768 1.00 0.00 C ATOM 1659 O HIS A 109 124.677 6.294 -6.522 1.00 0.00 O ATOM 1660 CB HIS A 109 123.932 9.064 -6.606 1.00 0.00 C ATOM 1661 CG HIS A 109 123.777 10.557 -6.504 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.271 11.279 -5.428 1.00 0.00 N ATOM 1663 CD2 HIS A 109 123.185 11.478 -7.333 1.00 0.00 C ATOM 1664 CE1 HIS A 109 123.971 12.573 -5.636 1.00 0.00 C ATOM 1665 NE2 HIS A 109 123.309 12.752 -6.782 1.00 0.00 N ATOM 0 H HIS A 109 125.793 8.508 -8.247 1.00 0.00 H new ATOM 0 HA HIS A 109 125.698 9.175 -5.377 1.00 0.00 H new ATOM 0 HB2 HIS A 109 123.728 8.754 -7.631 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.185 8.584 -5.974 1.00 0.00 H new ATOM 0 HD2 HIS A 109 122.698 11.250 -8.269 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.234 13.372 -4.958 1.00 0.00 H new ATOM 0 HE2 HIS A 109 122.968 13.631 -7.170 1.00 0.00 H new ATOM 1673 N PRO A 110 125.730 6.706 -4.608 1.00 0.00 N ATOM 1674 CA PRO A 110 125.692 5.267 -4.192 1.00 0.00 C ATOM 1675 C PRO A 110 124.260 4.724 -4.173 1.00 0.00 C ATOM 1676 O PRO A 110 123.322 5.503 -4.015 1.00 0.00 O ATOM 1677 CB PRO A 110 126.314 5.244 -2.789 1.00 0.00 C ATOM 1678 CG PRO A 110 126.291 6.656 -2.313 1.00 0.00 C ATOM 1679 CD PRO A 110 126.375 7.525 -3.565 1.00 0.00 C ATOM 0 HA PRO A 110 126.235 4.631 -4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.747 4.596 -2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.333 4.858 -2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 110 125.379 6.864 -1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 110 127.127 6.855 -1.643 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.859 8.475 -3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 110 127.409 7.757 -3.822 1.00 0.00 H new ATOM 1687 N PRO A 111 124.059 3.435 -4.355 1.00 0.00 N ATOM 1688 CA PRO A 111 122.678 2.858 -4.365 1.00 0.00 C ATOM 1689 C PRO A 111 122.026 2.893 -2.985 1.00 0.00 C ATOM 1690 O PRO A 111 122.712 2.982 -1.967 1.00 0.00 O ATOM 1691 CB PRO A 111 122.868 1.418 -4.850 1.00 0.00 C ATOM 1692 CG PRO A 111 124.285 1.074 -4.542 1.00 0.00 C ATOM 1693 CD PRO A 111 125.074 2.382 -4.571 1.00 0.00 C ATOM 0 HA PRO A 111 122.009 3.432 -5.006 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.181 0.740 -4.343 1.00 0.00 H new ATOM 0 HB3 PRO A 111 122.668 1.335 -5.918 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.363 0.597 -3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 111 124.679 0.369 -5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.837 2.402 -3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 111 125.586 2.515 -5.524 1.00 0.00 H new ATOM 1701 N ILE A 112 120.697 2.822 -2.958 1.00 0.00 N ATOM 1702 CA ILE A 112 119.962 2.832 -1.690 1.00 0.00 C ATOM 1703 C ILE A 112 120.300 1.617 -0.809 1.00 0.00 C ATOM 1704 O ILE A 112 119.945 1.612 0.368 1.00 0.00 O ATOM 1705 CB ILE A 112 118.445 2.890 -1.955 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.125 4.134 -2.790 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.682 2.984 -0.625 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.673 4.096 -3.276 1.00 0.00 C ATOM 0 H ILE A 112 120.110 2.757 -3.789 1.00 0.00 H new ATOM 0 HA ILE A 112 120.271 3.724 -1.144 1.00 0.00 H new ATOM 0 HB ILE A 112 118.144 1.988 -2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.292 5.032 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.799 4.189 -3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.611 3.025 -0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.906 2.109 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.987 3.885 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.464 4.987 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.518 3.209 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.003 4.065 -2.417 1.00 0.00 H new ATOM 1720 N THR A 113 121.021 0.623 -1.336 1.00 0.00 N ATOM 1721 CA THR A 113 121.245 -0.629 -0.612 1.00 0.00 C ATOM 1722 C THR A 113 121.617 -0.481 0.875 1.00 0.00 C ATOM 1723 O THR A 113 121.099 -1.272 1.666 1.00 0.00 O ATOM 1724 CB THR A 113 122.243 -1.534 -1.359 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.088 -2.867 -0.897 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.700 -1.106 -1.153 1.00 0.00 C ATOM 0 H THR A 113 121.457 0.662 -2.257 1.00 0.00 H new ATOM 0 HA THR A 113 120.268 -1.112 -0.593 1.00 0.00 H new ATOM 0 HB THR A 113 122.025 -1.452 -2.424 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.718 -3.452 -1.368 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.358 -1.779 -1.702 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.835 -0.088 -1.518 1.00 0.00 H new ATOM 0 HG23 THR A 113 123.944 -1.146 -0.091 1.00 0.00 H new ATOM 1734 N PRO A 114 122.421 0.480 1.317 1.00 0.00 N ATOM 1735 CA PRO A 114 122.831 0.531 2.761 1.00 0.00 C ATOM 1736 C PRO A 114 121.631 0.643 3.702 1.00 0.00 C ATOM 1737 O PRO A 114 121.657 0.115 4.814 1.00 0.00 O ATOM 1738 CB PRO A 114 123.738 1.760 2.874 1.00 0.00 C ATOM 1739 CG PRO A 114 124.162 2.064 1.480 1.00 0.00 C ATOM 1740 CD PRO A 114 122.992 1.639 0.599 1.00 0.00 C ATOM 0 HA PRO A 114 123.339 -0.387 3.058 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.206 2.602 3.316 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.598 1.557 3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.380 3.125 1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.069 1.520 1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.262 2.441 0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.323 1.367 -0.403 1.00 0.00 H new ATOM 1748 N ILE A 115 120.583 1.328 3.254 1.00 0.00 N ATOM 1749 CA ILE A 115 119.365 1.484 4.059 1.00 0.00 C ATOM 1750 C ILE A 115 118.253 0.502 3.668 1.00 0.00 C ATOM 1751 O ILE A 115 117.141 0.614 4.177 1.00 0.00 O ATOM 1752 CB ILE A 115 118.813 2.918 3.975 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.734 3.396 2.517 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.702 3.859 4.791 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.919 4.690 2.425 1.00 0.00 C ATOM 0 H ILE A 115 120.548 1.784 2.342 1.00 0.00 H new ATOM 0 HA ILE A 115 119.668 1.263 5.082 1.00 0.00 H new ATOM 0 HB ILE A 115 117.803 2.925 4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.738 3.562 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.275 2.625 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.310 4.874 4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.714 3.536 5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.716 3.838 4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.871 5.017 1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.910 4.511 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.395 5.464 3.027 1.00 0.00 H new ATOM 1767 N ARG A 116 118.531 -0.452 2.780 1.00 0.00 N ATOM 1768 CA ARG A 116 117.517 -1.412 2.354 1.00 0.00 C ATOM 1769 C ARG A 116 117.314 -2.485 3.421 1.00 0.00 C ATOM 1770 O ARG A 116 118.274 -2.938 4.044 1.00 0.00 O ATOM 1771 CB ARG A 116 117.952 -2.067 1.042 1.00 0.00 C ATOM 1772 CG ARG A 116 116.826 -2.953 0.507 1.00 0.00 C ATOM 1773 CD ARG A 116 117.309 -3.686 -0.745 1.00 0.00 C ATOM 1774 NE ARG A 116 117.679 -2.725 -1.788 1.00 0.00 N ATOM 1775 CZ ARG A 116 117.967 -3.078 -3.050 1.00 0.00 C ATOM 1776 NH1 ARG A 116 117.937 -4.325 -3.452 1.00 0.00 N ATOM 1777 NH2 ARG A 116 118.289 -2.148 -3.907 1.00 0.00 N ATOM 0 H ARG A 116 119.445 -0.579 2.345 1.00 0.00 H new ATOM 0 HA ARG A 116 116.575 -0.885 2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.204 -1.301 0.309 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.851 -2.663 1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.521 -3.672 1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 116 115.951 -2.347 0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 116 118.166 -4.314 -0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 116 116.524 -4.347 -1.113 1.00 0.00 H new ATOM 0 HE ARG A 116 117.720 -1.736 -1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 116 117.688 -5.066 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 116 118.162 -4.554 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 116 118.319 -1.172 -3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 116 118.511 -2.397 -4.871 1.00 0.00 H new ATOM 1791 N ALA A 117 116.064 -2.887 3.629 1.00 0.00 N ATOM 1792 CA ALA A 117 115.752 -3.880 4.650 1.00 0.00 C ATOM 1793 C ALA A 117 115.926 -5.297 4.113 1.00 0.00 C ATOM 1794 O ALA A 117 115.599 -5.582 2.962 1.00 0.00 O ATOM 1795 CB ALA A 117 114.308 -3.701 5.116 1.00 0.00 C ATOM 0 H ALA A 117 115.257 -2.543 3.109 1.00 0.00 H new ATOM 0 HA ALA A 117 116.440 -3.734 5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 117 114.077 -4.444 5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.181 -2.702 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.634 -3.829 4.269 1.00 0.00 H new ATOM 1883 N ILE A 125 114.560 -6.807 0.215 1.00 0.00 N ATOM 1884 CA ILE A 125 113.261 -6.361 -0.277 1.00 0.00 C ATOM 1885 C ILE A 125 113.434 -5.411 -1.463 1.00 0.00 C ATOM 1886 O ILE A 125 114.239 -4.482 -1.422 1.00 0.00 O ATOM 1887 CB ILE A 125 112.501 -5.689 0.875 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.298 -6.713 2.000 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.133 -5.187 0.406 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.771 -6.029 3.265 1.00 0.00 C ATOM 0 HA ILE A 125 112.684 -7.215 -0.631 1.00 0.00 H new ATOM 0 HB ILE A 125 113.082 -4.838 1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.596 -7.482 1.677 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.241 -7.214 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.613 -4.715 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.267 -4.461 -0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.543 -6.027 0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.634 -6.772 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.487 -5.278 3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 125 110.816 -5.550 3.049 1.00 0.00 H new ATOM 1902 N SER A 126 112.658 -5.659 -2.516 1.00 0.00 N ATOM 1903 CA SER A 126 112.781 -4.907 -3.761 1.00 0.00 C ATOM 1904 C SER A 126 112.415 -3.439 -3.584 1.00 0.00 C ATOM 1905 O SER A 126 111.478 -3.095 -2.865 1.00 0.00 O ATOM 1906 CB SER A 126 111.872 -5.524 -4.824 1.00 0.00 C ATOM 1907 OG SER A 126 112.241 -6.883 -5.020 1.00 0.00 O ATOM 0 H SER A 126 111.935 -6.378 -2.531 1.00 0.00 H new ATOM 0 HA SER A 126 113.825 -4.958 -4.072 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.830 -5.459 -4.511 1.00 0.00 H new ATOM 0 HB3 SER A 126 111.959 -4.972 -5.760 1.00 0.00 H new ATOM 0 HG SER A 126 111.660 -7.285 -5.700 1.00 0.00 H new ATOM 1913 N LEU A 127 113.179 -2.582 -4.255 1.00 0.00 N ATOM 1914 CA LEU A 127 112.850 -1.157 -4.337 1.00 0.00 C ATOM 1915 C LEU A 127 112.059 -0.817 -5.613 1.00 0.00 C ATOM 1916 O LEU A 127 111.861 0.357 -5.921 1.00 0.00 O ATOM 1917 CB LEU A 127 114.136 -0.322 -4.325 1.00 0.00 C ATOM 1918 CG LEU A 127 114.988 -0.659 -3.096 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.292 0.140 -3.148 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.227 -0.292 -1.821 1.00 0.00 C ATOM 0 H LEU A 127 114.030 -2.846 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 127 112.229 -0.923 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.708 -0.512 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.887 0.739 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 127 115.207 -1.727 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.900 -0.098 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.841 -0.118 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.065 1.206 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.837 -0.534 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 127 114.006 0.775 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.295 -0.856 -1.778 1.00 0.00 H new ATOM 1932 N GLY A 128 111.607 -1.828 -6.361 1.00 0.00 N ATOM 1933 CA GLY A 128 110.963 -1.596 -7.651 1.00 0.00 C ATOM 1934 C GLY A 128 109.873 -0.527 -7.586 1.00 0.00 C ATOM 1935 O GLY A 128 109.830 0.367 -8.433 1.00 0.00 O ATOM 0 H GLY A 128 111.676 -2.810 -6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.717 -1.296 -8.379 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.529 -2.530 -8.008 1.00 0.00 H new ATOM 1939 N ALA A 129 109.010 -0.598 -6.576 1.00 0.00 N ATOM 1940 CA ALA A 129 107.896 0.341 -6.479 1.00 0.00 C ATOM 1941 C ALA A 129 108.403 1.778 -6.403 1.00 0.00 C ATOM 1942 O ALA A 129 107.928 2.657 -7.123 1.00 0.00 O ATOM 1943 CB ALA A 129 107.054 0.028 -5.241 1.00 0.00 C ATOM 0 H ALA A 129 109.058 -1.285 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 129 107.282 0.235 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.225 0.733 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.662 -0.986 -5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.674 0.114 -4.348 1.00 0.00 H new ATOM 1949 N LEU A 130 109.394 2.004 -5.551 1.00 0.00 N ATOM 1950 CA LEU A 130 109.944 3.343 -5.377 1.00 0.00 C ATOM 1951 C LEU A 130 110.491 3.872 -6.700 1.00 0.00 C ATOM 1952 O LEU A 130 110.273 5.030 -7.060 1.00 0.00 O ATOM 1953 CB LEU A 130 111.054 3.301 -4.327 1.00 0.00 C ATOM 1954 CG LEU A 130 111.562 4.717 -4.049 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.470 5.526 -3.349 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.794 4.638 -3.145 1.00 0.00 C ATOM 0 H LEU A 130 109.831 1.285 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 130 109.153 4.014 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.679 2.853 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.874 2.673 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 130 111.824 5.203 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.834 6.534 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.589 5.577 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.208 5.044 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.162 5.644 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.526 4.154 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.573 4.060 -3.642 1.00 0.00 H new ATOM 1968 N LEU A 131 111.178 3.007 -7.438 1.00 0.00 N ATOM 1969 CA LEU A 131 111.758 3.403 -8.715 1.00 0.00 C ATOM 1970 C LEU A 131 110.670 3.877 -9.670 1.00 0.00 C ATOM 1971 O LEU A 131 110.812 4.909 -10.320 1.00 0.00 O ATOM 1972 CB LEU A 131 112.515 2.221 -9.329 1.00 0.00 C ATOM 1973 CG LEU A 131 113.203 2.643 -10.631 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.375 3.573 -10.317 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.724 1.401 -11.356 1.00 0.00 C ATOM 0 H LEU A 131 111.346 2.035 -7.177 1.00 0.00 H new ATOM 0 HA LEU A 131 112.453 4.226 -8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.257 1.850 -8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.824 1.401 -9.525 1.00 0.00 H new ATOM 0 HG LEU A 131 112.486 3.165 -11.264 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.862 3.871 -11.246 1.00 0.00 H new ATOM 0 HD12 LEU A 131 114.008 4.459 -9.799 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.092 3.053 -9.682 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.214 1.699 -12.283 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.439 0.881 -10.719 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.891 0.736 -11.584 1.00 0.00 H new ATOM 1987 N SER A 132 109.569 3.136 -9.726 1.00 0.00 N ATOM 1988 CA SER A 132 108.494 3.464 -10.654 1.00 0.00 C ATOM 1989 C SER A 132 107.970 4.870 -10.394 1.00 0.00 C ATOM 1990 O SER A 132 107.763 5.647 -11.327 1.00 0.00 O ATOM 1991 CB SER A 132 107.354 2.456 -10.512 1.00 0.00 C ATOM 1992 OG SER A 132 107.867 1.141 -10.679 1.00 0.00 O ATOM 0 H SER A 132 109.398 2.314 -9.147 1.00 0.00 H new ATOM 0 HA SER A 132 108.891 3.420 -11.668 1.00 0.00 H new ATOM 0 HB2 SER A 132 106.886 2.555 -9.533 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.582 2.655 -11.256 1.00 0.00 H new ATOM 0 HG SER A 132 108.357 0.876 -9.873 1.00 0.00 H new ATOM 1998 N THR A 133 107.794 5.209 -9.121 1.00 0.00 N ATOM 1999 CA THR A 133 107.253 6.516 -8.767 1.00 0.00 C ATOM 2000 C THR A 133 108.164 7.629 -9.275 1.00 0.00 C ATOM 2001 O THR A 133 107.706 8.581 -9.912 1.00 0.00 O ATOM 2002 CB THR A 133 107.100 6.626 -7.248 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.331 5.530 -6.772 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.394 7.936 -6.896 1.00 0.00 C ATOM 0 H THR A 133 108.014 4.607 -8.328 1.00 0.00 H new ATOM 0 HA THR A 133 106.275 6.623 -9.236 1.00 0.00 H new ATOM 0 HB THR A 133 108.085 6.611 -6.782 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.233 5.597 -5.799 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.286 8.012 -5.814 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.983 8.777 -7.262 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.408 7.954 -7.361 1.00 0.00 H new ATOM 2012 N THR A 134 109.461 7.491 -9.020 1.00 0.00 N ATOM 2013 CA THR A 134 110.409 8.526 -9.421 1.00 0.00 C ATOM 2014 C THR A 134 110.428 8.687 -10.939 1.00 0.00 C ATOM 2015 O THR A 134 110.480 9.805 -11.450 1.00 0.00 O ATOM 2016 CB THR A 134 111.811 8.193 -8.909 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.743 7.914 -7.518 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.736 9.391 -9.143 1.00 0.00 C ATOM 0 H THR A 134 109.875 6.688 -8.546 1.00 0.00 H new ATOM 0 HA THR A 134 110.088 9.469 -8.979 1.00 0.00 H new ATOM 0 HB THR A 134 112.201 7.325 -9.440 1.00 0.00 H new ATOM 0 HG1 THR A 134 110.921 8.298 -7.147 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.736 9.155 -8.779 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.781 9.613 -10.209 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.350 10.259 -8.608 1.00 0.00 H new ATOM 2026 N LEU A 135 110.362 7.572 -11.662 1.00 0.00 N ATOM 2027 CA LEU A 135 110.374 7.618 -13.120 1.00 0.00 C ATOM 2028 C LEU A 135 109.191 8.425 -13.646 1.00 0.00 C ATOM 2029 O LEU A 135 109.328 9.183 -14.607 1.00 0.00 O ATOM 2030 CB LEU A 135 110.326 6.202 -13.695 1.00 0.00 C ATOM 2031 CG LEU A 135 111.617 5.459 -13.345 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.467 3.978 -13.698 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.778 6.054 -14.145 1.00 0.00 C ATOM 0 H LEU A 135 110.300 6.634 -11.266 1.00 0.00 H new ATOM 0 HA LEU A 135 111.297 8.104 -13.436 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.466 5.665 -13.294 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.200 6.243 -14.777 1.00 0.00 H new ATOM 0 HG LEU A 135 111.816 5.561 -12.278 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.387 3.449 -13.448 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.639 3.551 -13.133 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.268 3.877 -14.765 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.699 5.526 -13.897 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.576 5.950 -15.211 1.00 0.00 H new ATOM 0 HD23 LEU A 135 112.887 7.110 -13.897 1.00 0.00 H new ATOM 2045 N ASN A 136 108.031 8.256 -13.018 1.00 0.00 N ATOM 2046 CA ASN A 136 106.846 9.002 -13.425 1.00 0.00 C ATOM 2047 C ASN A 136 107.103 10.501 -13.320 1.00 0.00 C ATOM 2048 O ASN A 136 106.740 11.271 -14.210 1.00 0.00 O ATOM 2049 CB ASN A 136 105.657 8.621 -12.541 1.00 0.00 C ATOM 2050 CG ASN A 136 104.383 9.272 -13.069 1.00 0.00 C ATOM 2051 OD1 ASN A 136 103.894 10.241 -12.489 1.00 0.00 O ATOM 2052 ND2 ASN A 136 103.814 8.795 -14.142 1.00 0.00 N ATOM 0 H ASN A 136 107.887 7.618 -12.236 1.00 0.00 H new ATOM 0 HA ASN A 136 106.618 8.753 -14.461 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.540 7.537 -12.522 1.00 0.00 H new ATOM 0 HB3 ASN A 136 105.840 8.940 -11.515 1.00 0.00 H new ATOM 0 HD21 ASN A 136 102.962 9.225 -14.502 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.221 7.992 -14.621 1.00 0.00 H new ATOM 2059 N LEU A 137 107.732 10.907 -12.222 1.00 0.00 N ATOM 2060 CA LEU A 137 108.067 12.314 -12.016 1.00 0.00 C ATOM 2061 C LEU A 137 109.035 12.817 -13.085 1.00 0.00 C ATOM 2062 O LEU A 137 108.939 13.961 -13.528 1.00 0.00 O ATOM 2063 CB LEU A 137 108.691 12.506 -10.632 1.00 0.00 C ATOM 2064 CG LEU A 137 107.713 12.043 -9.549 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.394 12.126 -8.182 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.478 12.946 -9.552 1.00 0.00 C ATOM 0 H LEU A 137 108.019 10.287 -11.465 1.00 0.00 H new ATOM 0 HA LEU A 137 107.145 12.891 -12.088 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.620 11.940 -10.561 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.944 13.555 -10.480 1.00 0.00 H new ATOM 0 HG LEU A 137 107.412 11.015 -9.749 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.700 11.797 -7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.275 11.485 -8.175 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.693 13.156 -7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.783 12.615 -8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.779 13.974 -9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.991 12.893 -10.526 1.00 0.00 H new ATOM 2078 N CYS A 138 109.966 11.961 -13.495 1.00 0.00 N ATOM 2079 CA CYS A 138 110.938 12.337 -14.520 1.00 0.00 C ATOM 2080 C CYS A 138 110.259 12.720 -15.841 1.00 0.00 C ATOM 2081 O CYS A 138 110.827 13.477 -16.628 1.00 0.00 O ATOM 2082 CB CYS A 138 111.906 11.173 -14.765 1.00 0.00 C ATOM 2083 SG CYS A 138 113.278 11.226 -13.581 1.00 0.00 S ATOM 0 H CYS A 138 110.069 11.011 -13.138 1.00 0.00 H new ATOM 0 HA CYS A 138 111.480 13.210 -14.156 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.375 10.226 -14.673 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.294 11.223 -15.782 1.00 0.00 H new ATOM 2088 N GLY A 139 109.054 12.206 -16.088 1.00 0.00 N ATOM 2089 CA GLY A 139 108.320 12.552 -17.303 1.00 0.00 C ATOM 2090 C GLY A 139 108.801 11.768 -18.528 1.00 0.00 C ATOM 2091 O GLY A 139 108.609 12.214 -19.660 1.00 0.00 O ATOM 0 H GLY A 139 108.570 11.555 -15.469 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.258 12.360 -17.148 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.426 13.620 -17.495 1.00 0.00 H new