USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 SER OG : rot -46:sc= 1.24 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.948 K(o=2.2,f=-3.8!) USER MOD Single : A 59 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0624) USER MOD Single : A 60 GLN : amide:sc= -0.804 K(o=-0.8,f=-3.2!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -74:sc= 0.592 USER MOD Single : A 77 HIS : no HD1:sc= -1.99 K(o=-2,f=-4.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 168:sc= 0.0365 USER MOD Single : A 101 ASN : amide:sc= -0.445 K(o=-0.45,f=-5.6!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.028) 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= 0.358 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 91:sc= -0.428 USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 108.898 16.267 -8.465 1.00 0.00 N ATOM 920 CA LYS A 59 109.212 15.649 -7.175 1.00 0.00 C ATOM 921 C LYS A 59 107.974 15.411 -6.304 1.00 0.00 C ATOM 922 O LYS A 59 106.933 16.041 -6.489 1.00 0.00 O ATOM 923 CB LYS A 59 110.248 16.508 -6.435 1.00 0.00 C ATOM 924 CG LYS A 59 109.639 17.837 -5.976 1.00 0.00 C ATOM 925 CD LYS A 59 110.732 18.719 -5.368 1.00 0.00 C ATOM 926 CE LYS A 59 110.089 19.895 -4.631 1.00 0.00 C ATOM 927 NZ LYS A 59 109.592 19.437 -3.303 1.00 0.00 N ATOM 0 HA LYS A 59 109.628 14.662 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.628 15.961 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.098 16.701 -7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 59 109.174 18.346 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 59 108.854 17.655 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.344 18.136 -4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 59 111.395 19.086 -6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 59 110.815 20.698 -4.502 1.00 0.00 H new ATOM 0 HE3 LYS A 59 109.266 20.300 -5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 108.665 19.868 -3.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 109.498 18.401 -3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 110.265 19.722 -2.563 1.00 0.00 H new ATOM 941 N GLN A 60 108.112 14.487 -5.353 1.00 0.00 N ATOM 942 CA GLN A 60 107.081 14.249 -4.341 1.00 0.00 C ATOM 943 C GLN A 60 107.713 13.806 -3.026 1.00 0.00 C ATOM 944 O GLN A 60 108.796 13.222 -3.014 1.00 0.00 O ATOM 945 CB GLN A 60 106.090 13.164 -4.773 1.00 0.00 C ATOM 946 CG GLN A 60 105.249 13.648 -5.951 1.00 0.00 C ATOM 947 CD GLN A 60 104.139 12.639 -6.241 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.361 11.667 -6.963 1.00 0.00 O ATOM 949 NE2 GLN A 60 102.958 12.790 -5.699 1.00 0.00 N ATOM 0 H GLN A 60 108.932 13.888 -5.262 1.00 0.00 H new ATOM 0 HA GLN A 60 106.549 15.192 -4.216 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.630 12.259 -5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.440 12.903 -3.938 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.817 14.623 -5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.878 13.774 -6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.771 13.594 -5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.224 12.103 -5.875 1.00 0.00 H new ATOM 958 N ASP A 61 107.028 14.078 -1.921 1.00 0.00 N ATOM 959 CA ASP A 61 107.452 13.554 -0.629 1.00 0.00 C ATOM 960 C ASP A 61 106.783 12.204 -0.384 1.00 0.00 C ATOM 961 O ASP A 61 105.559 12.094 -0.448 1.00 0.00 O ATOM 962 CB ASP A 61 107.071 14.529 0.487 1.00 0.00 C ATOM 963 CG ASP A 61 107.800 15.858 0.308 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.908 15.847 -0.203 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.236 16.873 0.686 1.00 0.00 O ATOM 0 H ASP A 61 106.185 14.652 -1.893 1.00 0.00 H new ATOM 0 HA ASP A 61 108.535 13.430 -0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.994 14.695 0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.322 14.098 1.456 1.00 0.00 H new ATOM 970 N ILE A 62 107.583 11.175 -0.109 1.00 0.00 N ATOM 971 CA ILE A 62 107.048 9.824 0.071 1.00 0.00 C ATOM 972 C ILE A 62 107.503 9.243 1.412 1.00 0.00 C ATOM 973 O ILE A 62 108.610 9.530 1.867 1.00 0.00 O ATOM 974 CB ILE A 62 107.491 8.948 -1.111 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.732 7.618 -1.072 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.001 8.684 -1.078 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.261 7.849 -1.438 1.00 0.00 C ATOM 0 H ILE A 62 108.595 11.248 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 62 105.959 9.855 0.089 1.00 0.00 H new ATOM 0 HB ILE A 62 107.264 9.480 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.183 6.911 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.804 7.177 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.280 8.061 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.537 9.632 -1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.261 8.171 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 62 104.725 6.900 -1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.813 8.541 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.198 8.271 -2.441 1.00 0.00 H new ATOM 989 N SER A 63 106.661 8.417 2.034 1.00 0.00 N ATOM 990 CA SER A 63 106.961 7.930 3.379 1.00 0.00 C ATOM 991 C SER A 63 106.374 6.547 3.643 1.00 0.00 C ATOM 992 O SER A 63 105.458 6.088 2.956 1.00 0.00 O ATOM 993 CB SER A 63 106.421 8.914 4.417 1.00 0.00 C ATOM 994 OG SER A 63 105.003 8.834 4.444 1.00 0.00 O ATOM 0 H SER A 63 105.784 8.077 1.638 1.00 0.00 H new ATOM 0 HA SER A 63 108.045 7.849 3.457 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.829 8.683 5.401 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.735 9.929 4.172 1.00 0.00 H new ATOM 0 HG SER A 63 104.657 8.840 3.527 1.00 0.00 H new ATOM 1000 N GLU A 64 106.905 5.896 4.674 1.00 0.00 N ATOM 1001 CA GLU A 64 106.444 4.570 5.063 1.00 0.00 C ATOM 1002 C GLU A 64 104.939 4.558 5.328 1.00 0.00 C ATOM 1003 O GLU A 64 104.262 3.581 5.017 1.00 0.00 O ATOM 1004 CB GLU A 64 107.195 4.113 6.318 1.00 0.00 C ATOM 1005 CG GLU A 64 106.934 5.086 7.474 1.00 0.00 C ATOM 1006 CD GLU A 64 107.759 4.733 8.717 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.418 3.703 8.725 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.715 5.509 9.657 1.00 0.00 O ATOM 0 H GLU A 64 107.656 6.267 5.255 1.00 0.00 H new ATOM 0 HA GLU A 64 106.646 3.885 4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.874 3.110 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.264 4.060 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.174 6.100 7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.874 5.073 7.727 1.00 0.00 H new ATOM 1015 N ALA A 65 104.413 5.651 5.874 1.00 0.00 N ATOM 1016 CA ALA A 65 103.000 5.703 6.235 1.00 0.00 C ATOM 1017 C ALA A 65 102.112 5.467 5.017 1.00 0.00 C ATOM 1018 O ALA A 65 101.136 4.720 5.089 1.00 0.00 O ATOM 1019 CB ALA A 65 102.667 7.065 6.848 1.00 0.00 C ATOM 0 H ALA A 65 104.937 6.503 6.074 1.00 0.00 H new ATOM 0 HA ALA A 65 102.810 4.914 6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.611 7.096 7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.271 7.219 7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.882 7.852 6.125 1.00 0.00 H new ATOM 1025 N ASN A 66 102.452 6.104 3.901 1.00 0.00 N ATOM 1026 CA ASN A 66 101.623 6.010 2.703 1.00 0.00 C ATOM 1027 C ASN A 66 101.676 4.608 2.102 1.00 0.00 C ATOM 1028 O ASN A 66 100.645 4.030 1.760 1.00 0.00 O ATOM 1029 CB ASN A 66 102.096 7.014 1.647 1.00 0.00 C ATOM 1030 CG ASN A 66 102.195 8.420 2.234 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.276 8.850 2.634 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.129 9.168 2.300 1.00 0.00 N ATOM 0 H ASN A 66 103.285 6.684 3.800 1.00 0.00 H new ATOM 0 HA ASN A 66 100.598 6.234 2.998 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.068 6.709 1.259 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.403 7.015 0.805 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.191 10.111 2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.233 8.810 1.968 1.00 0.00 H new ATOM 1039 N LEU A 67 102.884 4.067 1.979 1.00 0.00 N ATOM 1040 CA LEU A 67 103.069 2.767 1.335 1.00 0.00 C ATOM 1041 C LEU A 67 102.598 1.601 2.205 1.00 0.00 C ATOM 1042 O LEU A 67 102.242 0.547 1.679 1.00 0.00 O ATOM 1043 CB LEU A 67 104.540 2.569 0.957 1.00 0.00 C ATOM 1044 CG LEU A 67 104.840 3.334 -0.336 1.00 0.00 C ATOM 1045 CD1 LEU A 67 104.916 4.833 -0.037 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.172 2.858 -0.929 1.00 0.00 C ATOM 0 H LEU A 67 103.744 4.502 2.313 1.00 0.00 H new ATOM 0 HA LEU A 67 102.450 2.770 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.185 2.924 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.753 1.508 0.823 1.00 0.00 H new ATOM 0 HG LEU A 67 104.043 3.147 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.129 5.377 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 67 103.964 5.171 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.709 5.020 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.378 3.407 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.974 3.036 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.112 1.792 -1.149 1.00 0.00 H new ATOM 1058 N ALA A 68 102.610 1.776 3.528 1.00 0.00 N ATOM 1059 CA ALA A 68 102.252 0.701 4.455 1.00 0.00 C ATOM 1060 C ALA A 68 103.360 -0.365 4.437 1.00 0.00 C ATOM 1061 O ALA A 68 104.523 -0.011 4.243 1.00 0.00 O ATOM 1062 CB ALA A 68 100.862 0.136 4.108 1.00 0.00 C ATOM 0 H ALA A 68 102.864 2.653 3.982 1.00 0.00 H new ATOM 0 HA ALA A 68 102.179 1.082 5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.609 -0.662 4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.118 0.930 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.873 -0.260 3.092 1.00 0.00 H new ATOM 1068 N TYR A 69 103.038 -1.652 4.603 1.00 0.00 N ATOM 1069 CA TYR A 69 104.071 -2.691 4.660 1.00 0.00 C ATOM 1070 C TYR A 69 104.973 -2.690 3.418 1.00 0.00 C ATOM 1071 O TYR A 69 106.083 -3.223 3.456 1.00 0.00 O ATOM 1072 CB TYR A 69 103.412 -4.063 4.803 1.00 0.00 C ATOM 1073 CG TYR A 69 102.600 -4.210 6.068 1.00 0.00 C ATOM 1074 CD1 TYR A 69 103.238 -4.504 7.279 1.00 0.00 C ATOM 1075 CD2 TYR A 69 101.209 -4.055 6.030 1.00 0.00 C ATOM 1076 CE1 TYR A 69 102.485 -4.641 8.452 1.00 0.00 C ATOM 1077 CE2 TYR A 69 100.456 -4.192 7.202 1.00 0.00 C ATOM 1078 CZ TYR A 69 101.094 -4.485 8.413 1.00 0.00 C ATOM 1079 OH TYR A 69 100.351 -4.619 9.569 1.00 0.00 O ATOM 0 H TYR A 69 102.083 -1.996 4.699 1.00 0.00 H new ATOM 0 HA TYR A 69 104.699 -2.475 5.525 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.766 -4.239 3.943 1.00 0.00 H new ATOM 0 HB3 TYR A 69 104.184 -4.832 4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.311 -4.625 7.309 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.717 -3.830 5.096 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.977 -4.867 9.386 1.00 0.00 H new ATOM 0 HE2 TYR A 69 99.383 -4.072 7.172 1.00 0.00 H new ATOM 0 HH TYR A 69 99.402 -4.479 9.366 1.00 0.00 H new ATOM 1089 N LEU A 70 104.503 -2.099 2.322 1.00 0.00 N ATOM 1090 CA LEU A 70 105.270 -2.057 1.077 1.00 0.00 C ATOM 1091 C LEU A 70 106.623 -1.353 1.254 1.00 0.00 C ATOM 1092 O LEU A 70 107.560 -1.615 0.501 1.00 0.00 O ATOM 1093 CB LEU A 70 104.461 -1.333 -0.013 1.00 0.00 C ATOM 1094 CG LEU A 70 103.463 -2.271 -0.720 1.00 0.00 C ATOM 1095 CD1 LEU A 70 104.216 -3.336 -1.521 1.00 0.00 C ATOM 1096 CD2 LEU A 70 102.533 -2.953 0.291 1.00 0.00 C ATOM 0 H LEU A 70 103.593 -1.641 2.270 1.00 0.00 H new ATOM 0 HA LEU A 70 105.464 -3.088 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.919 -0.499 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 70 105.144 -0.911 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 70 102.857 -1.667 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 70 103.500 -3.993 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.843 -2.852 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.842 -3.923 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 70 101.840 -3.608 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 70 103.126 -3.541 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 70 101.971 -2.195 0.837 1.00 0.00 H new ATOM 1108 N TRP A 71 106.727 -0.467 2.241 1.00 0.00 N ATOM 1109 CA TRP A 71 107.940 0.320 2.438 1.00 0.00 C ATOM 1110 C TRP A 71 109.162 -0.600 2.590 1.00 0.00 C ATOM 1111 O TRP A 71 109.260 -1.301 3.599 1.00 0.00 O ATOM 1112 CB TRP A 71 107.792 1.156 3.708 1.00 0.00 C ATOM 1113 CG TRP A 71 108.755 2.297 3.786 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.720 2.430 4.721 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.866 3.459 2.913 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.405 3.608 4.490 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.923 4.275 3.383 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.160 3.882 1.775 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.266 5.471 2.743 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.501 5.080 1.129 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.551 5.872 1.610 1.00 0.00 C ATOM 0 H TRP A 71 105.986 -0.276 2.916 1.00 0.00 H new ATOM 0 HA TRP A 71 108.085 0.964 1.571 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.775 1.545 3.761 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.933 0.512 4.576 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.923 1.731 5.518 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.175 3.944 5.069 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.348 3.280 1.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.075 6.079 3.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.950 5.393 0.255 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.808 6.792 1.106 1.00 0.00 H new ATOM 1132 N PRO A 72 110.090 -0.630 1.653 1.00 0.00 N ATOM 1133 CA PRO A 72 111.263 -1.552 1.734 1.00 0.00 C ATOM 1134 C PRO A 72 112.473 -0.961 2.460 1.00 0.00 C ATOM 1135 O PRO A 72 113.416 -1.686 2.776 1.00 0.00 O ATOM 1136 CB PRO A 72 111.594 -1.809 0.265 1.00 0.00 C ATOM 1137 CG PRO A 72 111.232 -0.545 -0.441 1.00 0.00 C ATOM 1138 CD PRO A 72 110.167 0.156 0.404 1.00 0.00 C ATOM 0 HA PRO A 72 111.025 -2.445 2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.650 -2.045 0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 72 111.027 -2.655 -0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.108 0.092 -0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 72 110.852 -0.758 -1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.442 1.191 0.606 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.206 0.176 -0.110 1.00 0.00 H new ATOM 1146 N LEU A 73 112.472 0.349 2.694 1.00 0.00 N ATOM 1147 CA LEU A 73 113.635 1.009 3.284 1.00 0.00 C ATOM 1148 C LEU A 73 113.557 1.048 4.806 1.00 0.00 C ATOM 1149 O LEU A 73 112.478 1.173 5.386 1.00 0.00 O ATOM 1150 CB LEU A 73 113.744 2.443 2.767 1.00 0.00 C ATOM 1151 CG LEU A 73 113.826 2.449 1.240 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.827 3.900 0.758 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.117 1.760 0.789 1.00 0.00 C ATOM 0 H LEU A 73 111.689 0.969 2.487 1.00 0.00 H new ATOM 0 HA LEU A 73 114.512 0.430 2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.880 3.022 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.628 2.923 3.188 1.00 0.00 H new ATOM 0 HG LEU A 73 112.974 1.915 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.885 3.922 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.910 4.392 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.687 4.422 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.172 1.766 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.976 2.292 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.124 0.730 1.147 1.00 0.00 H new ATOM 1165 N THR A 74 114.719 0.938 5.439 1.00 0.00 N ATOM 1166 CA THR A 74 114.825 1.079 6.885 1.00 0.00 C ATOM 1167 C THR A 74 114.578 2.527 7.302 1.00 0.00 C ATOM 1168 O THR A 74 113.965 2.777 8.340 1.00 0.00 O ATOM 1169 CB THR A 74 116.212 0.640 7.358 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.196 1.487 6.782 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.469 -0.808 6.935 1.00 0.00 C ATOM 0 H THR A 74 115.605 0.751 4.970 1.00 0.00 H new ATOM 0 HA THR A 74 114.069 0.444 7.347 1.00 0.00 H new ATOM 0 HB THR A 74 116.262 0.709 8.445 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.302 1.267 5.833 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.458 -1.116 7.274 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.714 -1.456 7.380 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.418 -0.884 5.849 1.00 0.00 H new ATOM 1179 N VAL A 75 115.056 3.480 6.497 1.00 0.00 N ATOM 1180 CA VAL A 75 114.771 4.886 6.767 1.00 0.00 C ATOM 1181 C VAL A 75 113.270 5.102 6.644 1.00 0.00 C ATOM 1182 O VAL A 75 112.664 4.702 5.655 1.00 0.00 O ATOM 1183 CB VAL A 75 115.528 5.813 5.807 1.00 0.00 C ATOM 1184 CG1 VAL A 75 117.025 5.742 6.111 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.291 5.401 4.350 1.00 0.00 C ATOM 0 H VAL A 75 115.629 3.307 5.671 1.00 0.00 H new ATOM 0 HA VAL A 75 115.108 5.131 7.774 1.00 0.00 H new ATOM 0 HB VAL A 75 115.162 6.830 5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.566 6.400 5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.203 6.058 7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.375 4.718 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.838 6.073 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.640 4.380 4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.226 5.457 4.125 1.00 0.00 H new ATOM 1195 N ASP A 76 112.669 5.712 7.657 1.00 0.00 N ATOM 1196 CA ASP A 76 111.214 5.757 7.741 1.00 0.00 C ATOM 1197 C ASP A 76 110.595 6.494 6.560 1.00 0.00 C ATOM 1198 O ASP A 76 109.495 6.149 6.129 1.00 0.00 O ATOM 1199 CB ASP A 76 110.779 6.417 9.052 1.00 0.00 C ATOM 1200 CG ASP A 76 111.221 5.574 10.247 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.286 4.362 10.110 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.478 6.154 11.289 1.00 0.00 O ATOM 0 H ASP A 76 113.157 6.177 8.422 1.00 0.00 H new ATOM 0 HA ASP A 76 110.856 4.728 7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.210 7.415 9.124 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.696 6.536 9.064 1.00 0.00 H new ATOM 1207 N HIS A 77 111.280 7.516 6.056 1.00 0.00 N ATOM 1208 CA HIS A 77 110.755 8.266 4.922 1.00 0.00 C ATOM 1209 C HIS A 77 111.889 8.766 4.044 1.00 0.00 C ATOM 1210 O HIS A 77 113.060 8.548 4.346 1.00 0.00 O ATOM 1211 CB HIS A 77 109.901 9.438 5.410 1.00 0.00 C ATOM 1212 CG HIS A 77 110.609 10.348 6.375 1.00 0.00 C ATOM 1213 ND1 HIS A 77 111.106 9.898 7.588 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.893 11.690 6.328 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.658 10.951 8.215 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.556 12.069 7.493 1.00 0.00 N ATOM 0 H HIS A 77 112.182 7.839 6.407 1.00 0.00 H new ATOM 0 HA HIS A 77 110.127 7.602 4.328 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.575 10.021 4.548 1.00 0.00 H new ATOM 0 HB3 HIS A 77 109.003 9.046 5.888 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.641 12.351 5.512 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.128 10.899 9.186 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.891 13.000 7.741 1.00 0.00 H new ATOM 1224 N GLY A 78 111.523 9.372 2.922 1.00 0.00 N ATOM 1225 CA GLY A 78 112.494 9.979 2.027 1.00 0.00 C ATOM 1226 C GLY A 78 111.773 10.767 0.941 1.00 0.00 C ATOM 1227 O GLY A 78 110.574 10.592 0.716 1.00 0.00 O ATOM 0 H GLY A 78 110.555 9.455 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.157 10.638 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.118 9.208 1.576 1.00 0.00 H new ATOM 1231 N THR A 79 112.500 11.661 0.285 1.00 0.00 N ATOM 1232 CA THR A 79 111.926 12.457 -0.795 1.00 0.00 C ATOM 1233 C THR A 79 112.452 11.967 -2.139 1.00 0.00 C ATOM 1234 O THR A 79 113.627 11.639 -2.267 1.00 0.00 O ATOM 1235 CB THR A 79 112.286 13.930 -0.602 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.152 14.269 0.771 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.324 14.782 -1.430 1.00 0.00 C ATOM 0 H THR A 79 113.483 11.854 0.479 1.00 0.00 H new ATOM 0 HA THR A 79 110.841 12.349 -0.778 1.00 0.00 H new ATOM 0 HB THR A 79 113.313 14.109 -0.922 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.384 15.213 0.899 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.569 15.836 -1.302 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.414 14.514 -2.483 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.302 14.604 -1.097 1.00 0.00 H new ATOM 1245 N ILE A 80 111.580 11.914 -3.140 1.00 0.00 N ATOM 1246 CA ILE A 80 111.972 11.446 -4.468 1.00 0.00 C ATOM 1247 C ILE A 80 112.023 12.616 -5.441 1.00 0.00 C ATOM 1248 O ILE A 80 111.131 13.465 -5.445 1.00 0.00 O ATOM 1249 CB ILE A 80 110.984 10.387 -4.971 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.550 10.933 -4.937 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.086 9.151 -4.076 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.591 9.920 -5.566 1.00 0.00 C ATOM 0 H ILE A 80 110.601 12.188 -3.060 1.00 0.00 H new ATOM 0 HA ILE A 80 112.963 10.997 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 80 111.230 10.125 -6.000 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.254 11.137 -3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.499 11.879 -5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.387 8.391 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.101 8.756 -4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.842 9.424 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.575 10.315 -5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 80 108.881 9.738 -6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.632 8.985 -5.008 1.00 0.00 H new ATOM 1264 N GLU A 81 113.075 12.665 -6.254 1.00 0.00 N ATOM 1265 CA GLU A 81 113.251 13.785 -7.170 1.00 0.00 C ATOM 1266 C GLU A 81 113.907 13.360 -8.480 1.00 0.00 C ATOM 1267 O GLU A 81 114.803 12.515 -8.504 1.00 0.00 O ATOM 1268 CB GLU A 81 114.101 14.867 -6.501 1.00 0.00 C ATOM 1269 CG GLU A 81 114.136 16.121 -7.384 1.00 0.00 C ATOM 1270 CD GLU A 81 115.048 17.207 -6.802 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.655 16.987 -5.764 1.00 0.00 O ATOM 1272 OE2 GLU A 81 115.127 18.259 -7.414 1.00 0.00 O ATOM 0 H GLU A 81 113.806 11.955 -6.297 1.00 0.00 H new ATOM 0 HA GLU A 81 112.261 14.174 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 81 113.689 15.112 -5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 81 115.113 14.498 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 81 114.483 15.852 -8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.126 16.516 -7.493 1.00 0.00 H new ATOM 1279 N CYS A 82 113.424 13.950 -9.566 1.00 0.00 N ATOM 1280 CA CYS A 82 114.065 13.807 -10.866 1.00 0.00 C ATOM 1281 C CYS A 82 114.835 15.085 -11.185 1.00 0.00 C ATOM 1282 O CYS A 82 114.246 16.161 -11.287 1.00 0.00 O ATOM 1283 CB CYS A 82 113.011 13.555 -11.947 1.00 0.00 C ATOM 1284 SG CYS A 82 112.424 11.847 -11.836 1.00 0.00 S ATOM 0 H CYS A 82 112.588 14.534 -9.572 1.00 0.00 H new ATOM 0 HA CYS A 82 114.750 12.960 -10.841 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.177 14.246 -11.824 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.436 13.741 -12.934 1.00 0.00 H new ATOM 1359 N ALA A 88 117.311 9.731 -11.986 1.00 0.00 N ATOM 1360 CA ALA A 88 116.349 9.513 -10.911 1.00 0.00 C ATOM 1361 C ALA A 88 117.064 9.143 -9.615 1.00 0.00 C ATOM 1362 O ALA A 88 117.757 8.123 -9.545 1.00 0.00 O ATOM 1363 CB ALA A 88 115.379 8.395 -11.297 1.00 0.00 C ATOM 0 HA ALA A 88 115.794 10.438 -10.754 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.664 8.238 -10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.845 8.674 -12.205 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.936 7.474 -11.472 1.00 0.00 H new ATOM 1369 N VAL A 89 116.866 9.953 -8.574 1.00 0.00 N ATOM 1370 CA VAL A 89 117.539 9.723 -7.297 1.00 0.00 C ATOM 1371 C VAL A 89 116.565 9.797 -6.121 1.00 0.00 C ATOM 1372 O VAL A 89 115.518 10.445 -6.190 1.00 0.00 O ATOM 1373 CB VAL A 89 118.643 10.763 -7.094 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.691 10.621 -8.197 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.044 12.171 -7.143 1.00 0.00 C ATOM 0 H VAL A 89 116.251 10.767 -8.590 1.00 0.00 H new ATOM 0 HA VAL A 89 117.965 8.720 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 89 119.111 10.602 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.476 11.363 -8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.124 9.622 -8.161 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.221 10.777 -9.168 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.834 12.908 -6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.571 12.332 -8.112 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.299 12.277 -6.354 1.00 0.00 H new ATOM 1385 N PHE A 90 116.948 9.132 -5.037 1.00 0.00 N ATOM 1386 CA PHE A 90 116.180 9.116 -3.796 1.00 0.00 C ATOM 1387 C PHE A 90 116.966 9.819 -2.692 1.00 0.00 C ATOM 1388 O PHE A 90 118.139 9.527 -2.481 1.00 0.00 O ATOM 1389 CB PHE A 90 115.920 7.660 -3.404 1.00 0.00 C ATOM 1390 CG PHE A 90 115.234 7.469 -2.070 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.857 7.687 -1.946 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.979 7.051 -0.962 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.225 7.486 -0.713 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.348 6.851 0.272 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.971 7.066 0.394 1.00 0.00 C ATOM 0 H PHE A 90 117.807 8.584 -4.994 1.00 0.00 H new ATOM 0 HA PHE A 90 115.233 9.638 -3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.311 7.194 -4.179 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.872 7.129 -3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.282 8.010 -2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.041 6.882 -1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.163 7.655 -0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.923 6.531 1.128 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.483 6.908 1.344 1.00 0.00 H new ATOM 1405 N VAL A 91 116.324 10.746 -1.992 1.00 0.00 N ATOM 1406 CA VAL A 91 116.985 11.484 -0.914 1.00 0.00 C ATOM 1407 C VAL A 91 116.416 11.042 0.428 1.00 0.00 C ATOM 1408 O VAL A 91 115.202 10.995 0.600 1.00 0.00 O ATOM 1409 CB VAL A 91 116.758 12.992 -1.096 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.484 13.798 -0.007 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.282 13.426 -2.468 1.00 0.00 C ATOM 0 H VAL A 91 115.350 11.007 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 91 118.055 11.278 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 91 115.688 13.186 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.305 14.862 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.108 13.506 0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.554 13.599 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.121 14.496 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.348 13.209 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.751 12.882 -3.249 1.00 0.00 H new ATOM 1421 N ALA A 92 117.293 10.743 1.381 1.00 0.00 N ATOM 1422 CA ALA A 92 116.838 10.330 2.710 1.00 0.00 C ATOM 1423 C ALA A 92 116.919 11.496 3.701 1.00 0.00 C ATOM 1424 O ALA A 92 117.710 12.413 3.496 1.00 0.00 O ATOM 1425 CB ALA A 92 117.697 9.169 3.216 1.00 0.00 C ATOM 0 H ALA A 92 118.306 10.777 1.265 1.00 0.00 H new ATOM 0 HA ALA A 92 115.799 10.011 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.353 8.866 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.612 8.327 2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.738 9.486 3.275 1.00 0.00 H new ATOM 1431 N PRO A 93 116.135 11.493 4.761 1.00 0.00 N ATOM 1432 CA PRO A 93 116.175 12.598 5.769 1.00 0.00 C ATOM 1433 C PRO A 93 117.590 12.941 6.225 1.00 0.00 C ATOM 1434 O PRO A 93 117.863 14.074 6.622 1.00 0.00 O ATOM 1435 CB PRO A 93 115.352 12.071 6.949 1.00 0.00 C ATOM 1436 CG PRO A 93 114.441 11.039 6.382 1.00 0.00 C ATOM 1437 CD PRO A 93 115.105 10.493 5.119 1.00 0.00 C ATOM 0 HA PRO A 93 115.783 13.522 5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 93 115.998 11.643 7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.787 12.875 7.421 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.270 10.239 7.103 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.468 11.471 6.149 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.551 9.515 5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.380 10.369 4.315 1.00 0.00 H new ATOM 1445 N ASP A 94 118.486 11.964 6.167 1.00 0.00 N ATOM 1446 CA ASP A 94 119.859 12.172 6.625 1.00 0.00 C ATOM 1447 C ASP A 94 120.614 13.218 5.790 1.00 0.00 C ATOM 1448 O ASP A 94 121.694 13.658 6.186 1.00 0.00 O ATOM 1449 CB ASP A 94 120.613 10.834 6.604 1.00 0.00 C ATOM 1450 CG ASP A 94 120.524 10.146 5.237 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.095 10.777 4.285 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.897 8.986 5.157 1.00 0.00 O ATOM 0 H ASP A 94 118.292 11.028 5.812 1.00 0.00 H new ATOM 0 HA ASP A 94 119.808 12.561 7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.660 11.004 6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.203 10.175 7.369 1.00 0.00 H new ATOM 1457 N GLY A 95 120.062 13.618 4.644 1.00 0.00 N ATOM 1458 CA GLY A 95 120.740 14.565 3.755 1.00 0.00 C ATOM 1459 C GLY A 95 121.653 13.875 2.732 1.00 0.00 C ATOM 1460 O GLY A 95 122.428 14.540 2.045 1.00 0.00 O ATOM 0 H GLY A 95 119.151 13.303 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 95 119.993 15.158 3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.332 15.258 4.354 1.00 0.00 H new ATOM 1464 N THR A 96 121.565 12.550 2.627 1.00 0.00 N ATOM 1465 CA THR A 96 122.376 11.785 1.696 1.00 0.00 C ATOM 1466 C THR A 96 121.552 11.468 0.458 1.00 0.00 C ATOM 1467 O THR A 96 120.370 11.140 0.563 1.00 0.00 O ATOM 1468 CB THR A 96 122.815 10.477 2.357 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.491 10.767 3.573 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.750 9.704 1.423 1.00 0.00 C ATOM 0 H THR A 96 120.929 11.982 3.186 1.00 0.00 H new ATOM 0 HA THR A 96 123.255 12.365 1.416 1.00 0.00 H new ATOM 0 HB THR A 96 121.935 9.867 2.562 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.772 9.930 3.999 1.00 0.00 H new ATOM 0 HG21 THR A 96 124.057 8.775 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.229 9.477 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.631 10.309 1.208 1.00 0.00 H new ATOM 1478 N THR A 97 122.174 11.569 -0.711 1.00 0.00 N ATOM 1479 CA THR A 97 121.485 11.247 -1.953 1.00 0.00 C ATOM 1480 C THR A 97 121.917 9.872 -2.447 1.00 0.00 C ATOM 1481 O THR A 97 123.107 9.568 -2.532 1.00 0.00 O ATOM 1482 CB THR A 97 121.801 12.300 -3.017 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.491 13.590 -2.509 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.968 12.030 -4.271 1.00 0.00 C ATOM 0 H THR A 97 123.143 11.868 -0.824 1.00 0.00 H new ATOM 0 HA THR A 97 120.411 11.239 -1.767 1.00 0.00 H new ATOM 0 HB THR A 97 122.860 12.253 -3.272 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.694 14.267 -3.188 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.195 12.781 -5.027 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.206 11.040 -4.660 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.908 12.076 -4.021 1.00 0.00 H new ATOM 1492 N TYR A 98 120.929 9.050 -2.770 1.00 0.00 N ATOM 1493 CA TYR A 98 121.166 7.703 -3.268 1.00 0.00 C ATOM 1494 C TYR A 98 120.631 7.595 -4.692 1.00 0.00 C ATOM 1495 O TYR A 98 119.675 8.280 -5.047 1.00 0.00 O ATOM 1496 CB TYR A 98 120.442 6.691 -2.377 1.00 0.00 C ATOM 1497 CG TYR A 98 120.873 6.713 -0.926 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.959 5.936 -0.503 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.180 7.504 -0.001 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.350 5.951 0.842 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.572 7.520 1.344 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.656 6.744 1.766 1.00 0.00 C ATOM 1503 OH TYR A 98 122.044 6.757 3.093 1.00 0.00 O ATOM 0 H TYR A 98 119.942 9.297 -2.694 1.00 0.00 H new ATOM 0 HA TYR A 98 122.236 7.493 -3.258 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.370 6.882 -2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.606 5.690 -2.777 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.495 5.325 -1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.342 8.103 -0.325 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.187 5.351 1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 98 120.037 8.132 2.055 1.00 0.00 H new ATOM 0 HH TYR A 98 121.599 7.496 3.557 1.00 0.00 H new ATOM 1513 N ALA A 99 121.234 6.732 -5.500 1.00 0.00 N ATOM 1514 CA ALA A 99 120.795 6.561 -6.881 1.00 0.00 C ATOM 1515 C ALA A 99 119.681 5.522 -6.959 1.00 0.00 C ATOM 1516 O ALA A 99 119.842 4.391 -6.503 1.00 0.00 O ATOM 1517 CB ALA A 99 121.973 6.114 -7.751 1.00 0.00 C ATOM 0 H ALA A 99 122.022 6.144 -5.227 1.00 0.00 H new ATOM 0 HA ALA A 99 120.416 7.516 -7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.638 5.988 -8.781 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.759 6.868 -7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.362 5.167 -7.378 1.00 0.00 H new ATOM 1523 N LEU A 100 118.550 5.914 -7.541 1.00 0.00 N ATOM 1524 CA LEU A 100 117.430 4.996 -7.695 1.00 0.00 C ATOM 1525 C LEU A 100 117.671 4.086 -8.887 1.00 0.00 C ATOM 1526 O LEU A 100 117.499 2.870 -8.805 1.00 0.00 O ATOM 1527 CB LEU A 100 116.129 5.768 -7.921 1.00 0.00 C ATOM 1528 CG LEU A 100 115.571 6.254 -6.586 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.623 7.426 -6.839 1.00 0.00 C ATOM 1530 CD2 LEU A 100 114.798 5.113 -5.920 1.00 0.00 C ATOM 0 H LEU A 100 118.388 6.851 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 100 117.345 4.405 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.310 6.617 -8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.399 5.129 -8.419 1.00 0.00 H new ATOM 0 HG LEU A 100 116.386 6.573 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.220 7.779 -5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.167 8.235 -7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.805 7.100 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.397 5.454 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 100 113.978 4.802 -6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.468 4.270 -5.752 1.00 0.00 H new ATOM 1542 N ASN A 101 118.073 4.696 -10.000 1.00 0.00 N ATOM 1543 CA ASN A 101 118.327 3.938 -11.227 1.00 0.00 C ATOM 1544 C ASN A 101 119.801 3.994 -11.620 1.00 0.00 C ATOM 1545 O ASN A 101 120.574 4.805 -11.107 1.00 0.00 O ATOM 1546 CB ASN A 101 117.445 4.468 -12.364 1.00 0.00 C ATOM 1547 CG ASN A 101 117.820 5.899 -12.744 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.780 6.461 -12.221 1.00 0.00 O ATOM 1549 ND2 ASN A 101 117.106 6.530 -13.635 1.00 0.00 N ATOM 0 H ASN A 101 118.229 5.701 -10.080 1.00 0.00 H new ATOM 0 HA ASN A 101 118.075 2.894 -11.040 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.545 3.821 -13.235 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.399 4.434 -12.060 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.345 7.487 -13.896 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.309 6.067 -14.071 1.00 0.00 H new ATOM 1556 N ASP A 102 120.185 3.119 -12.543 1.00 0.00 N ATOM 1557 CA ASP A 102 121.583 3.000 -12.947 1.00 0.00 C ATOM 1558 C ASP A 102 122.170 4.349 -13.357 1.00 0.00 C ATOM 1559 O ASP A 102 123.344 4.620 -13.116 1.00 0.00 O ATOM 1560 CB ASP A 102 121.703 2.019 -14.117 1.00 0.00 C ATOM 1561 CG ASP A 102 121.316 0.609 -13.677 1.00 0.00 C ATOM 1562 OD1 ASP A 102 121.521 0.286 -12.518 1.00 0.00 O ATOM 1563 OD2 ASP A 102 120.817 -0.130 -14.510 1.00 0.00 O ATOM 0 H ASP A 102 119.550 2.483 -13.025 1.00 0.00 H new ATOM 0 HA ASP A 102 122.145 2.632 -12.089 1.00 0.00 H new ATOM 0 HB2 ASP A 102 121.059 2.340 -14.936 1.00 0.00 H new ATOM 0 HB3 ASP A 102 122.725 2.020 -14.496 1.00 0.00 H new ATOM 1568 N ARG A 103 121.351 5.199 -13.966 1.00 0.00 N ATOM 1569 CA ARG A 103 121.826 6.483 -14.464 1.00 0.00 C ATOM 1570 C ARG A 103 122.368 7.339 -13.322 1.00 0.00 C ATOM 1571 O ARG A 103 123.486 7.853 -13.384 1.00 0.00 O ATOM 1572 CB ARG A 103 120.657 7.186 -15.155 1.00 0.00 C ATOM 1573 CG ARG A 103 120.255 6.373 -16.389 1.00 0.00 C ATOM 1574 CD ARG A 103 118.961 6.935 -16.977 1.00 0.00 C ATOM 1575 NE ARG A 103 119.179 8.293 -17.471 1.00 0.00 N ATOM 1576 CZ ARG A 103 119.714 8.577 -18.663 1.00 0.00 C ATOM 1577 NH1 ARG A 103 120.088 7.647 -19.506 1.00 0.00 N ATOM 1578 NH2 ARG A 103 119.861 9.833 -18.981 1.00 0.00 N ATOM 0 H ARG A 103 120.359 5.023 -14.126 1.00 0.00 H new ATOM 0 HA ARG A 103 122.641 6.329 -15.171 1.00 0.00 H new ATOM 0 HB2 ARG A 103 119.813 7.277 -14.471 1.00 0.00 H new ATOM 0 HB3 ARG A 103 120.942 8.197 -15.445 1.00 0.00 H new ATOM 0 HG2 ARG A 103 121.050 6.408 -17.134 1.00 0.00 H new ATOM 0 HG3 ARG A 103 120.118 5.326 -16.118 1.00 0.00 H new ATOM 0 HD2 ARG A 103 118.615 6.296 -17.789 1.00 0.00 H new ATOM 0 HD3 ARG A 103 118.179 6.938 -16.218 1.00 0.00 H new ATOM 0 HE ARG A 103 118.907 9.071 -16.870 1.00 0.00 H new ATOM 0 HH11 ARG A 103 119.975 6.663 -19.263 1.00 0.00 H new ATOM 0 HH12 ARG A 103 120.492 7.907 -20.406 1.00 0.00 H new ATOM 0 HH21 ARG A 103 119.571 10.562 -18.329 1.00 0.00 H new ATOM 0 HH22 ARG A 103 120.266 10.087 -19.882 1.00 0.00 H new ATOM 1592 N ALA A 104 121.590 7.448 -12.254 1.00 0.00 N ATOM 1593 CA ALA A 104 122.028 8.189 -11.073 1.00 0.00 C ATOM 1594 C ALA A 104 123.314 7.596 -10.500 1.00 0.00 C ATOM 1595 O ALA A 104 124.179 8.321 -10.002 1.00 0.00 O ATOM 1596 CB ALA A 104 120.934 8.155 -10.004 1.00 0.00 C ATOM 0 H ALA A 104 120.659 7.037 -12.178 1.00 0.00 H new ATOM 0 HA ALA A 104 122.222 9.219 -11.371 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.266 8.709 -9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.026 8.611 -10.398 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.730 7.121 -9.725 1.00 0.00 H new ATOM 1602 N GLU A 105 123.429 6.271 -10.544 1.00 0.00 N ATOM 1603 CA GLU A 105 124.635 5.608 -10.060 1.00 0.00 C ATOM 1604 C GLU A 105 125.845 6.057 -10.878 1.00 0.00 C ATOM 1605 O GLU A 105 126.904 6.356 -10.330 1.00 0.00 O ATOM 1606 CB GLU A 105 124.472 4.090 -10.158 1.00 0.00 C ATOM 1607 CG GLU A 105 125.599 3.410 -9.373 1.00 0.00 C ATOM 1608 CD GLU A 105 125.554 1.883 -9.510 1.00 0.00 C ATOM 1609 OE1 GLU A 105 124.695 1.369 -10.211 1.00 0.00 O ATOM 1610 OE2 GLU A 105 126.395 1.242 -8.901 1.00 0.00 O ATOM 0 H GLU A 105 122.711 5.643 -10.905 1.00 0.00 H new ATOM 0 HA GLU A 105 124.793 5.881 -9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 105 123.503 3.790 -9.760 1.00 0.00 H new ATOM 0 HB3 GLU A 105 124.499 3.776 -11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 105 126.562 3.778 -9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 105 125.523 3.682 -8.320 1.00 0.00 H new ATOM 1617 N LYS A 106 125.667 6.149 -12.191 1.00 0.00 N ATOM 1618 CA LYS A 106 126.722 6.649 -13.073 1.00 0.00 C ATOM 1619 C LYS A 106 127.153 8.064 -12.680 1.00 0.00 C ATOM 1620 O LYS A 106 128.321 8.429 -12.826 1.00 0.00 O ATOM 1621 CB LYS A 106 126.232 6.652 -14.523 1.00 0.00 C ATOM 1622 CG LYS A 106 127.422 6.854 -15.463 1.00 0.00 C ATOM 1623 CD LYS A 106 126.917 7.292 -16.840 1.00 0.00 C ATOM 1624 CE LYS A 106 126.221 6.117 -17.529 1.00 0.00 C ATOM 1625 NZ LYS A 106 126.245 6.321 -19.004 1.00 0.00 N ATOM 0 H LYS A 106 124.806 5.885 -12.670 1.00 0.00 H new ATOM 0 HA LYS A 106 127.582 5.987 -12.974 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.731 5.711 -14.751 1.00 0.00 H new ATOM 0 HB3 LYS A 106 125.500 7.447 -14.669 1.00 0.00 H new ATOM 0 HG2 LYS A 106 128.097 7.606 -15.055 1.00 0.00 H new ATOM 0 HG3 LYS A 106 127.991 5.929 -15.550 1.00 0.00 H new ATOM 0 HD2 LYS A 106 126.225 8.127 -16.736 1.00 0.00 H new ATOM 0 HD3 LYS A 106 127.750 7.642 -17.449 1.00 0.00 H new ATOM 0 HE2 LYS A 106 126.721 5.183 -17.272 1.00 0.00 H new ATOM 0 HE3 LYS A 106 125.192 6.034 -17.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 125.772 5.522 -19.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 125.749 7.204 -19.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 127.231 6.379 -19.330 1.00 0.00 H new ATOM 1639 N ALA A 107 126.206 8.856 -12.181 1.00 0.00 N ATOM 1640 CA ALA A 107 126.487 10.222 -11.733 1.00 0.00 C ATOM 1641 C ALA A 107 127.177 10.276 -10.362 1.00 0.00 C ATOM 1642 O ALA A 107 127.309 11.354 -9.781 1.00 0.00 O ATOM 1643 CB ALA A 107 125.181 11.016 -11.668 1.00 0.00 C ATOM 0 H ALA A 107 125.231 8.575 -12.076 1.00 0.00 H new ATOM 0 HA ALA A 107 127.174 10.658 -12.458 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.389 12.033 -11.335 1.00 0.00 H new ATOM 0 HB2 ALA A 107 124.723 11.045 -12.657 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.498 10.537 -10.966 1.00 0.00 H new ATOM 1649 N GLY A 108 127.615 9.131 -9.841 1.00 0.00 N ATOM 1650 CA GLY A 108 128.369 9.096 -8.592 1.00 0.00 C ATOM 1651 C GLY A 108 127.489 9.217 -7.349 1.00 0.00 C ATOM 1652 O GLY A 108 127.966 9.631 -6.292 1.00 0.00 O ATOM 0 H GLY A 108 127.460 8.216 -10.265 1.00 0.00 H new ATOM 0 HA2 GLY A 108 128.931 8.163 -8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.097 9.907 -8.593 1.00 0.00 H new ATOM 1656 N HIS A 109 126.211 8.861 -7.469 1.00 0.00 N ATOM 1657 CA HIS A 109 125.352 8.763 -6.296 1.00 0.00 C ATOM 1658 C HIS A 109 125.276 7.297 -5.842 1.00 0.00 C ATOM 1659 O HIS A 109 124.696 6.486 -6.568 1.00 0.00 O ATOM 1660 CB HIS A 109 123.945 9.249 -6.654 1.00 0.00 C ATOM 1661 CG HIS A 109 123.868 10.734 -6.885 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.200 11.653 -5.904 1.00 0.00 N ATOM 1663 CD2 HIS A 109 123.496 11.474 -7.981 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.025 12.882 -6.423 1.00 0.00 C ATOM 1665 NE2 HIS A 109 123.596 12.830 -7.686 1.00 0.00 N ATOM 0 H HIS A 109 125.755 8.639 -8.354 1.00 0.00 H new ATOM 0 HA HIS A 109 125.761 9.377 -5.494 1.00 0.00 H new ATOM 0 HB2 HIS A 109 123.607 8.731 -7.551 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.259 8.977 -5.851 1.00 0.00 H new ATOM 0 HD2 HIS A 109 123.175 11.065 -8.928 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.209 13.799 -5.883 1.00 0.00 H new ATOM 0 HE2 HIS A 109 123.387 13.615 -8.302 1.00 0.00 H new ATOM 1673 N PRO A 110 125.822 6.920 -4.698 1.00 0.00 N ATOM 1674 CA PRO A 110 125.793 5.486 -4.261 1.00 0.00 C ATOM 1675 C PRO A 110 124.367 4.929 -4.245 1.00 0.00 C ATOM 1676 O PRO A 110 123.425 5.692 -4.041 1.00 0.00 O ATOM 1677 CB PRO A 110 126.386 5.497 -2.850 1.00 0.00 C ATOM 1678 CG PRO A 110 127.204 6.739 -2.778 1.00 0.00 C ATOM 1679 CD PRO A 110 126.532 7.749 -3.704 1.00 0.00 C ATOM 0 HA PRO A 110 126.352 4.847 -4.944 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.601 5.498 -2.093 1.00 0.00 H new ATOM 0 HB3 PRO A 110 126.998 4.612 -2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 110 127.248 7.117 -1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 110 128.230 6.547 -3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.842 8.392 -3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 110 127.265 8.400 -4.180 1.00 0.00 H new ATOM 1687 N PRO A 111 124.172 3.643 -4.458 1.00 0.00 N ATOM 1688 CA PRO A 111 122.793 3.062 -4.504 1.00 0.00 C ATOM 1689 C PRO A 111 122.117 3.053 -3.134 1.00 0.00 C ATOM 1690 O PRO A 111 122.784 3.116 -2.102 1.00 0.00 O ATOM 1691 CB PRO A 111 122.996 1.638 -5.028 1.00 0.00 C ATOM 1692 CG PRO A 111 124.408 1.287 -4.707 1.00 0.00 C ATOM 1693 CD PRO A 111 125.194 2.597 -4.674 1.00 0.00 C ATOM 0 HA PRO A 111 122.132 3.654 -5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.303 0.944 -4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 111 122.814 1.586 -6.101 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.470 0.775 -3.747 1.00 0.00 H new ATOM 0 HG3 PRO A 111 124.818 0.610 -5.456 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.934 2.595 -3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 111 125.734 2.758 -5.607 1.00 0.00 H new ATOM 1701 N ILE A 112 120.787 2.975 -3.133 1.00 0.00 N ATOM 1702 CA ILE A 112 120.027 2.947 -1.881 1.00 0.00 C ATOM 1703 C ILE A 112 120.369 1.721 -1.017 1.00 0.00 C ATOM 1704 O ILE A 112 119.998 1.692 0.155 1.00 0.00 O ATOM 1705 CB ILE A 112 118.515 2.982 -2.172 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.188 4.236 -2.992 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.722 3.031 -0.856 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.739 4.192 -3.488 1.00 0.00 C ATOM 0 H ILE A 112 120.216 2.930 -3.977 1.00 0.00 H new ATOM 0 HA ILE A 112 120.310 3.834 -1.315 1.00 0.00 H new ATOM 0 HB ILE A 112 118.241 2.084 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.343 5.126 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.867 4.309 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.655 3.055 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.950 2.147 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.998 3.925 -0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.525 5.090 -4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.596 3.312 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.063 4.142 -2.634 1.00 0.00 H new ATOM 1720 N THR A 113 121.106 0.744 -1.552 1.00 0.00 N ATOM 1721 CA THR A 113 121.336 -0.518 -0.848 1.00 0.00 C ATOM 1722 C THR A 113 121.690 -0.390 0.646 1.00 0.00 C ATOM 1723 O THR A 113 121.172 -1.200 1.418 1.00 0.00 O ATOM 1724 CB THR A 113 122.351 -1.399 -1.599 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.202 -2.742 -1.165 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.801 -0.963 -1.365 1.00 0.00 C ATOM 0 H THR A 113 121.552 0.803 -2.467 1.00 0.00 H new ATOM 0 HA THR A 113 120.365 -1.013 -0.849 1.00 0.00 H new ATOM 0 HB THR A 113 122.146 -1.298 -2.665 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.843 -3.312 -1.639 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.472 -1.620 -1.919 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.932 0.063 -1.708 1.00 0.00 H new ATOM 0 HG23 THR A 113 124.032 -1.022 -0.301 1.00 0.00 H new ATOM 1734 N PRO A 114 122.480 0.571 1.112 1.00 0.00 N ATOM 1735 CA PRO A 114 122.879 0.598 2.560 1.00 0.00 C ATOM 1736 C PRO A 114 121.673 0.675 3.497 1.00 0.00 C ATOM 1737 O PRO A 114 121.705 0.135 4.603 1.00 0.00 O ATOM 1738 CB PRO A 114 123.769 1.838 2.704 1.00 0.00 C ATOM 1739 CG PRO A 114 124.203 2.168 1.319 1.00 0.00 C ATOM 1740 CD PRO A 114 123.046 1.746 0.420 1.00 0.00 C ATOM 0 HA PRO A 114 123.396 -0.320 2.841 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.221 2.666 3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.625 1.636 3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.412 3.233 1.216 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.118 1.637 1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.309 2.542 0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.389 1.494 -0.583 1.00 0.00 H new ATOM 1748 N ILE A 115 120.611 1.344 3.054 1.00 0.00 N ATOM 1749 CA ILE A 115 119.394 1.475 3.866 1.00 0.00 C ATOM 1750 C ILE A 115 118.298 0.475 3.480 1.00 0.00 C ATOM 1751 O ILE A 115 117.184 0.575 3.987 1.00 0.00 O ATOM 1752 CB ILE A 115 118.819 2.898 3.789 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.699 3.362 2.329 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.714 3.864 4.567 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.884 4.660 2.242 1.00 0.00 C ATOM 0 H ILE A 115 120.564 1.803 2.144 1.00 0.00 H new ATOM 0 HA ILE A 115 119.705 1.255 4.887 1.00 0.00 H new ATOM 0 HB ILE A 115 117.823 2.890 4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.692 3.521 1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.221 2.585 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.300 4.871 4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.765 3.553 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.716 3.858 4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.809 4.974 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.885 4.490 2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.379 5.440 2.821 1.00 0.00 H new ATOM 1767 N ARG A 116 118.590 -0.478 2.598 1.00 0.00 N ATOM 1768 CA ARG A 116 117.591 -1.455 2.175 1.00 0.00 C ATOM 1769 C ARG A 116 117.384 -2.510 3.258 1.00 0.00 C ATOM 1770 O ARG A 116 118.345 -2.991 3.859 1.00 0.00 O ATOM 1771 CB ARG A 116 118.051 -2.114 0.873 1.00 0.00 C ATOM 1772 CG ARG A 116 116.953 -3.029 0.329 1.00 0.00 C ATOM 1773 CD ARG A 116 117.367 -3.547 -1.050 1.00 0.00 C ATOM 1774 NE ARG A 116 118.514 -4.451 -0.933 1.00 0.00 N ATOM 1775 CZ ARG A 116 119.002 -5.165 -1.960 1.00 0.00 C ATOM 1776 NH1 ARG A 116 118.479 -5.110 -3.161 1.00 0.00 N ATOM 1777 NH2 ARG A 116 120.032 -5.939 -1.755 1.00 0.00 N ATOM 0 H ARG A 116 119.506 -0.594 2.164 1.00 0.00 H new ATOM 0 HA ARG A 116 116.640 -0.948 2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.296 -1.349 0.136 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.960 -2.689 1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.788 -3.864 1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 116 116.011 -2.485 0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 116 116.531 -4.069 -1.516 1.00 0.00 H new ATOM 0 HD3 ARG A 116 117.621 -2.709 -1.699 1.00 0.00 H new ATOM 0 HE ARG A 116 118.966 -4.543 -0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 116 117.674 -4.510 -3.340 1.00 0.00 H new ATOM 0 HH12 ARG A 116 118.877 -5.667 -3.917 1.00 0.00 H new ATOM 0 HH21 ARG A 116 120.452 -5.994 -0.827 1.00 0.00 H new ATOM 0 HH22 ARG A 116 120.417 -6.489 -2.523 1.00 0.00 H new ATOM 1791 N ALA A 117 116.127 -2.866 3.504 1.00 0.00 N ATOM 1792 CA ALA A 117 115.796 -3.799 4.576 1.00 0.00 C ATOM 1793 C ALA A 117 115.900 -5.246 4.113 1.00 0.00 C ATOM 1794 O ALA A 117 115.729 -5.546 2.933 1.00 0.00 O ATOM 1795 CB ALA A 117 114.368 -3.536 5.057 1.00 0.00 C ATOM 0 H ALA A 117 115.323 -2.524 2.978 1.00 0.00 H new ATOM 0 HA ALA A 117 116.509 -3.644 5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 117 114.120 -4.233 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.292 -2.514 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.674 -3.674 4.228 1.00 0.00 H new ATOM 1883 N ILE A 125 114.637 -6.856 0.334 1.00 0.00 N ATOM 1884 CA ILE A 125 113.336 -6.450 -0.186 1.00 0.00 C ATOM 1885 C ILE A 125 113.507 -5.515 -1.384 1.00 0.00 C ATOM 1886 O ILE A 125 114.292 -4.568 -1.344 1.00 0.00 O ATOM 1887 CB ILE A 125 112.547 -5.776 0.946 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.325 -6.793 2.074 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.183 -5.287 0.446 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.904 -6.074 3.357 1.00 0.00 C ATOM 0 HA ILE A 125 112.783 -7.322 -0.536 1.00 0.00 H new ATOM 0 HB ILE A 125 113.117 -4.919 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.558 -7.510 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.240 -7.359 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.643 -4.813 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.328 -4.565 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.607 -6.134 0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.749 -6.806 4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.685 -5.375 3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 125 110.977 -5.528 3.181 1.00 0.00 H new ATOM 1902 N SER A 126 112.755 -5.795 -2.444 1.00 0.00 N ATOM 1903 CA SER A 126 112.866 -5.039 -3.688 1.00 0.00 C ATOM 1904 C SER A 126 112.486 -3.576 -3.498 1.00 0.00 C ATOM 1905 O SER A 126 111.537 -3.250 -2.786 1.00 0.00 O ATOM 1906 CB SER A 126 111.959 -5.660 -4.749 1.00 0.00 C ATOM 1907 OG SER A 126 112.340 -7.014 -4.956 1.00 0.00 O ATOM 0 H SER A 126 112.060 -6.542 -2.467 1.00 0.00 H new ATOM 0 HA SER A 126 113.907 -5.080 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.918 -5.607 -4.430 1.00 0.00 H new ATOM 0 HB3 SER A 126 112.036 -5.102 -5.682 1.00 0.00 H new ATOM 0 HG SER A 126 111.759 -7.417 -5.635 1.00 0.00 H new ATOM 1913 N LEU A 127 113.246 -2.704 -4.150 1.00 0.00 N ATOM 1914 CA LEU A 127 112.904 -1.282 -4.210 1.00 0.00 C ATOM 1915 C LEU A 127 112.067 -0.940 -5.455 1.00 0.00 C ATOM 1916 O LEU A 127 111.845 0.235 -5.745 1.00 0.00 O ATOM 1917 CB LEU A 127 114.184 -0.437 -4.236 1.00 0.00 C ATOM 1918 CG LEU A 127 115.086 -0.781 -3.046 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.379 0.033 -3.136 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.371 -0.440 -1.737 1.00 0.00 C ATOM 0 H LEU A 127 114.102 -2.953 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 127 112.312 -1.058 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.722 -0.611 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.927 0.622 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 127 115.316 -1.846 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 127 117.022 -0.211 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.896 -0.207 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.141 1.097 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 127 115.017 -0.687 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 127 114.138 0.625 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.447 -1.015 -1.666 1.00 0.00 H new ATOM 1932 N GLY A 128 111.602 -1.949 -6.197 1.00 0.00 N ATOM 1933 CA GLY A 128 110.914 -1.716 -7.464 1.00 0.00 C ATOM 1934 C GLY A 128 109.818 -0.657 -7.358 1.00 0.00 C ATOM 1935 O GLY A 128 109.737 0.236 -8.202 1.00 0.00 O ATOM 0 H GLY A 128 111.691 -2.932 -5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.641 -1.406 -8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.476 -2.652 -7.812 1.00 0.00 H new ATOM 1939 N ALA A 129 108.989 -0.738 -6.321 1.00 0.00 N ATOM 1940 CA ALA A 129 107.866 0.188 -6.189 1.00 0.00 C ATOM 1941 C ALA A 129 108.359 1.631 -6.131 1.00 0.00 C ATOM 1942 O ALA A 129 107.868 2.500 -6.853 1.00 0.00 O ATOM 1943 CB ALA A 129 107.070 -0.134 -4.922 1.00 0.00 C ATOM 0 H ALA A 129 109.070 -1.424 -5.570 1.00 0.00 H new ATOM 0 HA ALA A 129 107.223 0.074 -7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.235 0.560 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.689 -1.154 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.718 -0.038 -4.051 1.00 0.00 H new ATOM 1949 N LEU A 130 109.357 1.875 -5.291 1.00 0.00 N ATOM 1950 CA LEU A 130 109.898 3.220 -5.137 1.00 0.00 C ATOM 1951 C LEU A 130 110.423 3.737 -6.474 1.00 0.00 C ATOM 1952 O LEU A 130 110.187 4.887 -6.847 1.00 0.00 O ATOM 1953 CB LEU A 130 111.025 3.193 -4.103 1.00 0.00 C ATOM 1954 CG LEU A 130 111.545 4.610 -3.856 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.482 5.423 -3.116 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.816 4.539 -3.006 1.00 0.00 C ATOM 0 H LEU A 130 109.805 1.166 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 130 109.108 3.890 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.663 2.762 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.836 2.555 -4.454 1.00 0.00 H new ATOM 0 HG LEU A 130 111.767 5.089 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.853 6.433 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.575 5.470 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.259 4.947 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.191 5.547 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.590 4.061 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.574 3.958 -3.532 1.00 0.00 H new ATOM 1968 N LEU A 131 111.111 2.869 -7.208 1.00 0.00 N ATOM 1969 CA LEU A 131 111.678 3.256 -8.493 1.00 0.00 C ATOM 1970 C LEU A 131 110.578 3.703 -9.448 1.00 0.00 C ATOM 1971 O LEU A 131 110.713 4.717 -10.127 1.00 0.00 O ATOM 1972 CB LEU A 131 112.443 2.076 -9.097 1.00 0.00 C ATOM 1973 CG LEU A 131 113.138 2.504 -10.393 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.319 3.419 -10.060 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.650 1.263 -11.128 1.00 0.00 C ATOM 0 H LEU A 131 111.288 1.902 -6.938 1.00 0.00 H new ATOM 0 HA LEU A 131 112.363 4.089 -8.337 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.181 1.709 -8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.757 1.253 -9.298 1.00 0.00 H new ATOM 0 HG LEU A 131 112.430 3.039 -11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.814 3.724 -10.982 1.00 0.00 H new ATOM 0 HD12 LEU A 131 113.958 4.302 -9.533 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.027 2.883 -9.428 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.145 1.565 -12.051 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.359 0.731 -10.493 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.811 0.608 -11.364 1.00 0.00 H new ATOM 1987 N SER A 132 109.477 2.960 -9.472 1.00 0.00 N ATOM 1988 CA SER A 132 108.391 3.264 -10.395 1.00 0.00 C ATOM 1989 C SER A 132 107.860 4.671 -10.154 1.00 0.00 C ATOM 1990 O SER A 132 107.648 5.434 -11.098 1.00 0.00 O ATOM 1991 CB SER A 132 107.258 2.252 -10.221 1.00 0.00 C ATOM 1992 OG SER A 132 107.777 0.938 -10.378 1.00 0.00 O ATOM 0 H SER A 132 109.314 2.152 -8.871 1.00 0.00 H new ATOM 0 HA SER A 132 108.778 3.204 -11.412 1.00 0.00 H new ATOM 0 HB2 SER A 132 106.805 2.362 -9.236 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.474 2.436 -10.955 1.00 0.00 H new ATOM 0 HG SER A 132 108.283 0.688 -9.577 1.00 0.00 H new ATOM 1998 N THR A 133 107.684 5.028 -8.886 1.00 0.00 N ATOM 1999 CA THR A 133 107.137 6.340 -8.552 1.00 0.00 C ATOM 2000 C THR A 133 108.041 7.447 -9.082 1.00 0.00 C ATOM 2001 O THR A 133 107.579 8.385 -9.735 1.00 0.00 O ATOM 2002 CB THR A 133 106.988 6.475 -7.036 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.225 5.385 -6.538 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.279 7.789 -6.703 1.00 0.00 C ATOM 0 H THR A 133 107.908 4.439 -8.084 1.00 0.00 H new ATOM 0 HA THR A 133 106.157 6.435 -9.019 1.00 0.00 H new ATOM 0 HB THR A 133 107.975 6.471 -6.574 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.130 5.469 -5.566 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.174 7.882 -5.622 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.865 8.625 -7.084 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.292 7.797 -7.165 1.00 0.00 H new ATOM 2012 N THR A 134 109.339 7.316 -8.830 1.00 0.00 N ATOM 2013 CA THR A 134 110.284 8.346 -9.249 1.00 0.00 C ATOM 2014 C THR A 134 110.313 8.479 -10.769 1.00 0.00 C ATOM 2015 O THR A 134 110.376 9.586 -11.299 1.00 0.00 O ATOM 2016 CB THR A 134 111.681 8.031 -8.715 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.601 7.827 -7.312 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.616 9.207 -9.008 1.00 0.00 C ATOM 0 H THR A 134 109.756 6.521 -8.346 1.00 0.00 H new ATOM 0 HA THR A 134 109.954 9.298 -8.834 1.00 0.00 H new ATOM 0 HB THR A 134 112.069 7.134 -9.198 1.00 0.00 H new ATOM 0 HG1 THR A 134 111.447 6.877 -7.128 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.613 8.983 -8.627 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.667 9.372 -10.084 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.235 10.105 -8.521 1.00 0.00 H new ATOM 2026 N LEU A 135 110.248 7.352 -11.472 1.00 0.00 N ATOM 2027 CA LEU A 135 110.256 7.375 -12.933 1.00 0.00 C ATOM 2028 C LEU A 135 109.067 8.168 -13.467 1.00 0.00 C ATOM 2029 O LEU A 135 109.194 8.904 -14.446 1.00 0.00 O ATOM 2030 CB LEU A 135 110.214 5.948 -13.486 1.00 0.00 C ATOM 2031 CG LEU A 135 111.519 5.226 -13.143 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.379 3.737 -13.466 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.661 5.816 -13.973 1.00 0.00 C ATOM 0 H LEU A 135 110.190 6.421 -11.060 1.00 0.00 H new ATOM 0 HA LEU A 135 111.176 7.860 -13.260 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.366 5.408 -13.064 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.072 5.970 -14.566 1.00 0.00 H new ATOM 0 HG LEU A 135 111.734 5.352 -12.082 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.308 3.223 -13.222 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.564 3.312 -12.879 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.164 3.614 -14.527 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.591 5.302 -13.729 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.443 5.689 -15.033 1.00 0.00 H new ATOM 0 HD23 LEU A 135 112.763 6.878 -13.748 1.00 0.00 H new ATOM 2045 N ASN A 136 107.911 8.011 -12.828 1.00 0.00 N ATOM 2046 CA ASN A 136 106.724 8.755 -13.235 1.00 0.00 C ATOM 2047 C ASN A 136 106.987 10.255 -13.153 1.00 0.00 C ATOM 2048 O ASN A 136 106.612 11.012 -14.048 1.00 0.00 O ATOM 2049 CB ASN A 136 105.544 8.391 -12.330 1.00 0.00 C ATOM 2050 CG ASN A 136 104.247 8.933 -12.921 1.00 0.00 C ATOM 2051 OD1 ASN A 136 103.843 8.528 -14.011 1.00 0.00 O ATOM 2052 ND2 ASN A 136 103.567 9.832 -12.264 1.00 0.00 N ATOM 0 H ASN A 136 107.772 7.383 -12.036 1.00 0.00 H new ATOM 0 HA ASN A 136 106.484 8.492 -14.265 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.479 7.308 -12.221 1.00 0.00 H new ATOM 0 HB3 ASN A 136 105.699 8.803 -11.333 1.00 0.00 H new ATOM 0 HD21 ASN A 136 102.699 10.200 -12.653 1.00 0.00 H new ATOM 0 HD22 ASN A 136 103.903 10.166 -11.361 1.00 0.00 H new ATOM 2059 N LEU A 137 107.637 10.673 -12.072 1.00 0.00 N ATOM 2060 CA LEU A 137 107.980 12.082 -11.893 1.00 0.00 C ATOM 2061 C LEU A 137 108.919 12.564 -12.996 1.00 0.00 C ATOM 2062 O LEU A 137 108.797 13.689 -13.478 1.00 0.00 O ATOM 2063 CB LEU A 137 108.644 12.289 -10.529 1.00 0.00 C ATOM 2064 CG LEU A 137 107.709 11.811 -9.415 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.427 11.925 -8.068 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.447 12.678 -9.389 1.00 0.00 C ATOM 0 H LEU A 137 107.936 10.063 -11.311 1.00 0.00 H new ATOM 0 HA LEU A 137 107.059 12.663 -11.945 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.585 11.740 -10.486 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.883 13.343 -10.388 1.00 0.00 H new ATOM 0 HG LEU A 137 107.431 10.773 -9.599 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.764 11.585 -7.272 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.325 11.307 -8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.704 12.964 -7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.785 12.333 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.723 13.717 -9.207 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.933 12.602 -10.347 1.00 0.00 H new ATOM 2078 N CYS A 138 109.855 11.707 -13.391 1.00 0.00 N ATOM 2079 CA CYS A 138 110.785 12.042 -14.469 1.00 0.00 C ATOM 2080 C CYS A 138 110.056 12.336 -15.786 1.00 0.00 C ATOM 2081 O CYS A 138 110.579 13.058 -16.635 1.00 0.00 O ATOM 2082 CB CYS A 138 111.765 10.885 -14.683 1.00 0.00 C ATOM 2083 SG CYS A 138 113.149 10.973 -13.511 1.00 0.00 S ATOM 0 H CYS A 138 109.991 10.781 -12.985 1.00 0.00 H new ATOM 0 HA CYS A 138 111.321 12.944 -14.172 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.243 9.936 -14.563 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.147 10.912 -15.704 1.00 0.00 H new ATOM 2088 N GLY A 139 108.855 11.783 -15.961 1.00 0.00 N ATOM 2089 CA GLY A 139 108.081 12.024 -17.178 1.00 0.00 C ATOM 2090 C GLY A 139 108.505 11.116 -18.336 1.00 0.00 C ATOM 2091 O GLY A 139 108.277 11.451 -19.499 1.00 0.00 O ATOM 0 H GLY A 139 108.401 11.171 -15.283 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.023 11.868 -16.968 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.197 13.066 -17.477 1.00 0.00 H new