USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 SER OG : rot -73:sc= 1.19 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.996 K(o=2.2,f=-6.3!) USER MOD Single : A 59 LYS NZ :NH3+ -126:sc= 0.281 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.5) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -75:sc= 0.367 USER MOD Single : A 77 HIS : no HD1:sc= -2.06 K(o=-2.1,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 163:sc= 0.0216 USER MOD Single : A 101 ASN : amide:sc= -1.45 K(o=-1.5,f=-5.5!) USER MOD Single : A 106 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.019) USER MOD Single : A 109 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.43) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 76:sc= 0.308 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot -30:sc= -0.696 USER MOD Single : A 136 ASN : amide:sc=-0.00865 K(o=-0.0086,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 108.849 16.282 -8.327 1.00 0.00 N ATOM 920 CA LYS A 59 109.104 16.149 -6.892 1.00 0.00 C ATOM 921 C LYS A 59 107.898 15.597 -6.127 1.00 0.00 C ATOM 922 O LYS A 59 106.757 15.985 -6.379 1.00 0.00 O ATOM 923 CB LYS A 59 109.485 17.521 -6.323 1.00 0.00 C ATOM 924 CG LYS A 59 109.900 17.388 -4.854 1.00 0.00 C ATOM 925 CD LYS A 59 110.194 18.774 -4.277 1.00 0.00 C ATOM 926 CE LYS A 59 110.751 18.629 -2.859 1.00 0.00 C ATOM 927 NZ LYS A 59 109.633 18.358 -1.913 1.00 0.00 N ATOM 0 HA LYS A 59 109.918 15.435 -6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.303 17.949 -6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 59 108.641 18.206 -6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 59 109.106 16.906 -4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 59 110.782 16.754 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.911 19.298 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 59 109.284 19.374 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 59 111.477 17.817 -2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 59 111.276 19.539 -2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 109.656 19.053 -1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 108.726 18.431 -2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 109.735 17.400 -1.520 1.00 0.00 H new ATOM 941 N GLN A 60 108.170 14.688 -5.190 1.00 0.00 N ATOM 942 CA GLN A 60 107.158 14.240 -4.232 1.00 0.00 C ATOM 943 C GLN A 60 107.801 13.832 -2.910 1.00 0.00 C ATOM 944 O GLN A 60 108.923 13.330 -2.883 1.00 0.00 O ATOM 945 CB GLN A 60 106.354 13.050 -4.765 1.00 0.00 C ATOM 946 CG GLN A 60 105.409 13.504 -5.875 1.00 0.00 C ATOM 947 CD GLN A 60 104.520 12.341 -6.309 1.00 0.00 C ATOM 948 OE1 GLN A 60 105.027 11.295 -6.713 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.219 12.437 -6.206 1.00 0.00 N ATOM 0 H GLN A 60 109.083 14.247 -5.074 1.00 0.00 H new ATOM 0 HA GLN A 60 106.486 15.084 -4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 60 107.032 12.285 -5.145 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.783 12.596 -3.955 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.793 14.332 -5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.983 13.871 -6.726 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.796 13.303 -5.871 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.628 11.646 -6.460 1.00 0.00 H new ATOM 958 N ASP A 61 107.076 14.040 -1.815 1.00 0.00 N ATOM 959 CA ASP A 61 107.528 13.567 -0.511 1.00 0.00 C ATOM 960 C ASP A 61 106.868 12.228 -0.197 1.00 0.00 C ATOM 961 O ASP A 61 105.645 12.106 -0.263 1.00 0.00 O ATOM 962 CB ASP A 61 107.164 14.587 0.573 1.00 0.00 C ATOM 963 CG ASP A 61 107.865 15.919 0.315 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.947 15.908 -0.250 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.306 16.938 0.690 1.00 0.00 O ATOM 0 H ASP A 61 106.181 14.529 -1.804 1.00 0.00 H new ATOM 0 HA ASP A 61 108.611 13.443 -0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 61 106.084 14.736 0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.450 14.203 1.552 1.00 0.00 H new ATOM 970 N ILE A 62 107.669 11.220 0.146 1.00 0.00 N ATOM 971 CA ILE A 62 107.131 9.880 0.392 1.00 0.00 C ATOM 972 C ILE A 62 107.598 9.342 1.747 1.00 0.00 C ATOM 973 O ILE A 62 108.730 9.588 2.161 1.00 0.00 O ATOM 974 CB ILE A 62 107.558 8.948 -0.753 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.836 7.606 -0.615 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.075 8.725 -0.747 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.363 7.781 -0.990 1.00 0.00 C ATOM 0 H ILE A 62 108.679 11.302 0.259 1.00 0.00 H new ATOM 0 HA ILE A 62 106.043 9.929 0.424 1.00 0.00 H new ATOM 0 HB ILE A 62 107.288 9.417 -1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.301 6.862 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.921 7.238 0.407 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.349 8.062 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.584 9.681 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.373 8.273 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 62 104.847 6.826 -0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.903 8.512 -0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.289 8.130 -2.020 1.00 0.00 H new ATOM 989 N SER A 63 106.729 8.600 2.431 1.00 0.00 N ATOM 990 CA SER A 63 107.071 8.070 3.748 1.00 0.00 C ATOM 991 C SER A 63 106.479 6.681 3.964 1.00 0.00 C ATOM 992 O SER A 63 105.590 6.239 3.234 1.00 0.00 O ATOM 993 CB SER A 63 106.568 9.014 4.841 1.00 0.00 C ATOM 994 OG SER A 63 105.153 8.915 4.932 1.00 0.00 O ATOM 0 H SER A 63 105.796 8.355 2.100 1.00 0.00 H new ATOM 0 HA SER A 63 108.157 7.991 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 63 107.024 8.758 5.797 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.859 10.040 4.614 1.00 0.00 H new ATOM 0 HG SER A 63 104.744 9.362 4.162 1.00 0.00 H new ATOM 1000 N GLU A 64 106.983 5.992 4.982 1.00 0.00 N ATOM 1001 CA GLU A 64 106.502 4.656 5.306 1.00 0.00 C ATOM 1002 C GLU A 64 104.992 4.653 5.529 1.00 0.00 C ATOM 1003 O GLU A 64 104.306 3.711 5.133 1.00 0.00 O ATOM 1004 CB GLU A 64 107.213 4.133 6.557 1.00 0.00 C ATOM 1005 CG GLU A 64 106.992 5.097 7.729 1.00 0.00 C ATOM 1006 CD GLU A 64 107.786 4.678 8.971 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.371 3.604 8.975 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.791 5.446 9.919 1.00 0.00 O ATOM 0 H GLU A 64 107.722 6.336 5.595 1.00 0.00 H new ATOM 0 HA GLU A 64 106.724 4.002 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.834 3.143 6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.280 4.025 6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.287 6.103 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.930 5.135 7.973 1.00 0.00 H new ATOM 1015 N ALA A 65 104.467 5.720 6.124 1.00 0.00 N ATOM 1016 CA ALA A 65 103.037 5.797 6.400 1.00 0.00 C ATOM 1017 C ALA A 65 102.230 5.694 5.108 1.00 0.00 C ATOM 1018 O ALA A 65 101.183 5.046 5.072 1.00 0.00 O ATOM 1019 CB ALA A 65 102.710 7.116 7.100 1.00 0.00 C ATOM 0 H ALA A 65 105.004 6.535 6.421 1.00 0.00 H new ATOM 0 HA ALA A 65 102.770 4.963 7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.640 7.165 7.302 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.260 7.176 8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.996 7.949 6.458 1.00 0.00 H new ATOM 1025 N ASN A 66 102.719 6.331 4.048 1.00 0.00 N ATOM 1026 CA ASN A 66 101.991 6.355 2.785 1.00 0.00 C ATOM 1027 C ASN A 66 101.985 4.990 2.102 1.00 0.00 C ATOM 1028 O ASN A 66 100.947 4.551 1.606 1.00 0.00 O ATOM 1029 CB ASN A 66 102.611 7.381 1.836 1.00 0.00 C ATOM 1030 CG ASN A 66 102.648 8.757 2.494 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.708 9.217 2.916 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.548 9.449 2.588 1.00 0.00 N ATOM 0 H ASN A 66 103.607 6.832 4.038 1.00 0.00 H new ATOM 0 HA ASN A 66 100.962 6.629 3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.621 7.073 1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 66 102.034 7.427 0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.563 10.376 3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.671 9.064 2.237 1.00 0.00 H new ATOM 1039 N LEU A 67 103.141 4.328 2.057 1.00 0.00 N ATOM 1040 CA LEU A 67 103.239 3.054 1.340 1.00 0.00 C ATOM 1041 C LEU A 67 102.867 1.837 2.195 1.00 0.00 C ATOM 1042 O LEU A 67 102.755 0.732 1.663 1.00 0.00 O ATOM 1043 CB LEU A 67 104.651 2.861 0.765 1.00 0.00 C ATOM 1044 CG LEU A 67 105.097 4.073 -0.078 1.00 0.00 C ATOM 1045 CD1 LEU A 67 106.483 3.811 -0.705 1.00 0.00 C ATOM 1046 CD2 LEU A 67 104.077 4.367 -1.191 1.00 0.00 C ATOM 0 H LEU A 67 104.006 4.642 2.497 1.00 0.00 H new ATOM 0 HA LEU A 67 102.508 3.114 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.357 2.706 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.673 1.962 0.149 1.00 0.00 H new ATOM 0 HG LEU A 67 105.159 4.938 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 67 106.784 4.675 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 67 107.214 3.640 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 67 106.432 2.932 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 67 104.411 5.226 -1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 67 103.990 3.498 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 67 103.106 4.586 -0.746 1.00 0.00 H new ATOM 1058 N ALA A 68 102.674 2.017 3.504 1.00 0.00 N ATOM 1059 CA ALA A 68 102.273 0.910 4.369 1.00 0.00 C ATOM 1060 C ALA A 68 103.384 -0.152 4.391 1.00 0.00 C ATOM 1061 O ALA A 68 104.552 0.197 4.225 1.00 0.00 O ATOM 1062 CB ALA A 68 100.926 0.347 3.882 1.00 0.00 C ATOM 0 H ALA A 68 102.788 2.911 3.983 1.00 0.00 H new ATOM 0 HA ALA A 68 102.133 1.253 5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.623 -0.479 4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.170 1.131 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 68 101.030 -0.010 2.857 1.00 0.00 H new ATOM 1068 N TYR A 69 103.052 -1.434 4.565 1.00 0.00 N ATOM 1069 CA TYR A 69 104.075 -2.481 4.643 1.00 0.00 C ATOM 1070 C TYR A 69 104.995 -2.490 3.415 1.00 0.00 C ATOM 1071 O TYR A 69 106.113 -3.003 3.480 1.00 0.00 O ATOM 1072 CB TYR A 69 103.401 -3.847 4.779 1.00 0.00 C ATOM 1073 CG TYR A 69 102.558 -3.981 6.025 1.00 0.00 C ATOM 1074 CD1 TYR A 69 103.163 -4.291 7.249 1.00 0.00 C ATOM 1075 CD2 TYR A 69 101.172 -3.796 5.957 1.00 0.00 C ATOM 1076 CE1 TYR A 69 102.382 -4.415 8.405 1.00 0.00 C ATOM 1077 CE2 TYR A 69 100.391 -3.920 7.112 1.00 0.00 C ATOM 1078 CZ TYR A 69 100.996 -4.230 8.336 1.00 0.00 C ATOM 1079 OH TYR A 69 100.226 -4.353 9.474 1.00 0.00 O ATOM 0 H TYR A 69 102.093 -1.770 4.654 1.00 0.00 H new ATOM 0 HA TYR A 69 104.691 -2.270 5.517 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.774 -4.023 3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 69 104.167 -4.623 4.783 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.232 -4.435 7.302 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.705 -3.557 5.013 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.849 -4.653 9.349 1.00 0.00 H new ATOM 0 HE2 TYR A 69 99.322 -3.777 7.059 1.00 0.00 H new ATOM 0 HH TYR A 69 99.285 -4.192 9.251 1.00 0.00 H new ATOM 1089 N LEU A 70 104.530 -1.927 2.302 1.00 0.00 N ATOM 1090 CA LEU A 70 105.322 -1.873 1.074 1.00 0.00 C ATOM 1091 C LEU A 70 106.674 -1.184 1.294 1.00 0.00 C ATOM 1092 O LEU A 70 107.644 -1.480 0.597 1.00 0.00 O ATOM 1093 CB LEU A 70 104.535 -1.133 -0.010 1.00 0.00 C ATOM 1094 CG LEU A 70 105.284 -1.207 -1.342 1.00 0.00 C ATOM 1095 CD1 LEU A 70 105.244 -2.641 -1.872 1.00 0.00 C ATOM 1096 CD2 LEU A 70 104.617 -0.272 -2.353 1.00 0.00 C ATOM 0 H LEU A 70 103.607 -1.501 2.225 1.00 0.00 H new ATOM 0 HA LEU A 70 105.521 -2.898 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.543 -1.573 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 70 104.392 -0.092 0.279 1.00 0.00 H new ATOM 0 HG LEU A 70 106.320 -0.904 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 70 105.778 -2.693 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 70 105.718 -3.308 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.208 -2.945 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 70 105.150 -0.324 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 70 103.581 -0.576 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 70 104.645 0.751 -1.976 1.00 0.00 H new ATOM 1108 N TRP A 71 106.738 -0.272 2.262 1.00 0.00 N ATOM 1109 CA TRP A 71 107.949 0.504 2.506 1.00 0.00 C ATOM 1110 C TRP A 71 109.144 -0.430 2.745 1.00 0.00 C ATOM 1111 O TRP A 71 109.221 -1.048 3.808 1.00 0.00 O ATOM 1112 CB TRP A 71 107.739 1.366 3.751 1.00 0.00 C ATOM 1113 CG TRP A 71 108.758 2.448 3.908 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.716 2.476 4.860 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.936 3.656 3.110 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.461 3.630 4.708 1.00 0.00 N ATOM 1117 CE2 TRP A 71 110.028 4.385 3.638 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.265 4.186 1.995 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.441 5.597 3.077 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.677 5.400 1.429 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.763 6.104 1.965 1.00 0.00 C ATOM 0 H TRP A 71 105.964 -0.053 2.890 1.00 0.00 H new ATOM 0 HA TRP A 71 108.154 1.128 1.636 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.747 1.816 3.708 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.761 0.727 4.633 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.874 1.721 5.616 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.238 3.892 5.315 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.426 3.654 1.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.276 6.136 3.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 108.153 5.796 0.572 1.00 0.00 H new ATOM 0 HH2 TRP A 71 110.076 7.037 1.520 1.00 0.00 H new ATOM 1132 N PRO A 72 110.073 -0.559 1.816 1.00 0.00 N ATOM 1133 CA PRO A 72 111.204 -1.526 1.963 1.00 0.00 C ATOM 1134 C PRO A 72 112.416 -0.963 2.707 1.00 0.00 C ATOM 1135 O PRO A 72 113.325 -1.713 3.062 1.00 0.00 O ATOM 1136 CB PRO A 72 111.569 -1.838 0.514 1.00 0.00 C ATOM 1137 CG PRO A 72 111.321 -0.563 -0.215 1.00 0.00 C ATOM 1138 CD PRO A 72 110.187 0.149 0.523 1.00 0.00 C ATOM 0 HA PRO A 72 110.911 -2.389 2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.610 -2.150 0.425 1.00 0.00 H new ATOM 0 HB3 PRO A 72 110.958 -2.648 0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.219 0.054 -0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 72 111.047 -0.757 -1.252 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.412 1.205 0.669 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.255 0.097 -0.040 1.00 0.00 H new ATOM 1146 N LEU A 73 112.461 0.354 2.899 1.00 0.00 N ATOM 1147 CA LEU A 73 113.637 0.988 3.494 1.00 0.00 C ATOM 1148 C LEU A 73 113.557 1.015 5.016 1.00 0.00 C ATOM 1149 O LEU A 73 112.482 1.166 5.598 1.00 0.00 O ATOM 1150 CB LEU A 73 113.775 2.425 2.989 1.00 0.00 C ATOM 1151 CG LEU A 73 113.822 2.455 1.461 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.883 3.913 1.005 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.064 1.711 0.960 1.00 0.00 C ATOM 0 H LEU A 73 111.707 0.997 2.655 1.00 0.00 H new ATOM 0 HA LEU A 73 114.503 0.396 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.936 3.023 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.681 2.874 3.395 1.00 0.00 H new ATOM 0 HG LEU A 73 112.934 1.969 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.917 3.953 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.999 4.443 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.777 4.385 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.089 1.737 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.959 2.190 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.028 0.675 1.297 1.00 0.00 H new ATOM 1165 N THR A 74 114.716 0.867 5.649 1.00 0.00 N ATOM 1166 CA THR A 74 114.822 0.987 7.098 1.00 0.00 C ATOM 1167 C THR A 74 114.607 2.435 7.532 1.00 0.00 C ATOM 1168 O THR A 74 113.996 2.687 8.571 1.00 0.00 O ATOM 1169 CB THR A 74 116.199 0.511 7.568 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.202 1.345 7.004 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.426 -0.935 7.125 1.00 0.00 C ATOM 0 H THR A 74 115.598 0.663 5.179 1.00 0.00 H new ATOM 0 HA THR A 74 114.051 0.363 7.551 1.00 0.00 H new ATOM 0 HB THR A 74 116.249 0.563 8.656 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.313 1.127 6.055 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.407 -1.269 7.462 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.657 -1.574 7.559 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.376 -0.995 6.038 1.00 0.00 H new ATOM 1179 N VAL A 75 115.110 3.387 6.740 1.00 0.00 N ATOM 1180 CA VAL A 75 114.854 4.795 7.024 1.00 0.00 C ATOM 1181 C VAL A 75 113.359 5.046 6.898 1.00 0.00 C ATOM 1182 O VAL A 75 112.743 4.650 5.913 1.00 0.00 O ATOM 1183 CB VAL A 75 115.633 5.712 6.072 1.00 0.00 C ATOM 1184 CG1 VAL A 75 117.129 5.594 6.368 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.380 5.324 4.612 1.00 0.00 C ATOM 0 H VAL A 75 115.684 3.211 5.916 1.00 0.00 H new ATOM 0 HA VAL A 75 115.191 5.023 8.035 1.00 0.00 H new ATOM 0 HB VAL A 75 115.296 6.737 6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.686 6.244 5.693 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.320 5.891 7.399 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.448 4.562 6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.943 5.988 3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.701 4.295 4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.316 5.412 4.391 1.00 0.00 H new ATOM 1195 N ASP A 76 112.772 5.675 7.907 1.00 0.00 N ATOM 1196 CA ASP A 76 111.318 5.753 7.991 1.00 0.00 C ATOM 1197 C ASP A 76 110.714 6.526 6.827 1.00 0.00 C ATOM 1198 O ASP A 76 109.600 6.219 6.400 1.00 0.00 O ATOM 1199 CB ASP A 76 110.898 6.396 9.315 1.00 0.00 C ATOM 1200 CG ASP A 76 111.325 5.524 10.494 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.374 4.315 10.335 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.591 6.080 11.548 1.00 0.00 O ATOM 0 H ASP A 76 113.271 6.133 8.670 1.00 0.00 H new ATOM 0 HA ASP A 76 110.938 4.733 7.941 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.348 7.385 9.405 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.817 6.536 9.331 1.00 0.00 H new ATOM 1207 N HIS A 77 111.422 7.537 6.330 1.00 0.00 N ATOM 1208 CA HIS A 77 110.901 8.324 5.218 1.00 0.00 C ATOM 1209 C HIS A 77 112.032 8.807 4.325 1.00 0.00 C ATOM 1210 O HIS A 77 113.204 8.575 4.614 1.00 0.00 O ATOM 1211 CB HIS A 77 110.092 9.514 5.743 1.00 0.00 C ATOM 1212 CG HIS A 77 110.838 10.378 6.722 1.00 0.00 C ATOM 1213 ND1 HIS A 77 111.330 9.884 7.920 1.00 0.00 N ATOM 1214 CD2 HIS A 77 111.164 11.712 6.704 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.918 10.904 8.568 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.846 12.042 7.873 1.00 0.00 N ATOM 0 H HIS A 77 112.339 7.826 6.671 1.00 0.00 H new ATOM 0 HA HIS A 77 110.244 7.688 4.625 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.778 10.128 4.898 1.00 0.00 H new ATOM 0 HB3 HIS A 77 109.186 9.141 6.220 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.928 12.400 5.906 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.392 10.814 9.534 1.00 0.00 H new ATOM 0 HE2 HIS A 77 112.212 12.956 8.140 1.00 0.00 H new ATOM 1224 N GLY A 78 111.659 9.413 3.205 1.00 0.00 N ATOM 1225 CA GLY A 78 112.625 10.012 2.300 1.00 0.00 C ATOM 1226 C GLY A 78 111.897 10.802 1.219 1.00 0.00 C ATOM 1227 O GLY A 78 110.697 10.634 1.005 1.00 0.00 O ATOM 0 H GLY A 78 110.689 9.502 2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.297 10.668 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.240 9.236 1.844 1.00 0.00 H new ATOM 1231 N THR A 79 112.623 11.691 0.555 1.00 0.00 N ATOM 1232 CA THR A 79 112.040 12.496 -0.512 1.00 0.00 C ATOM 1233 C THR A 79 112.564 12.030 -1.865 1.00 0.00 C ATOM 1234 O THR A 79 113.743 11.719 -2.002 1.00 0.00 O ATOM 1235 CB THR A 79 112.391 13.969 -0.302 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.222 14.301 1.069 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.448 14.823 -1.150 1.00 0.00 C ATOM 0 H THR A 79 113.611 11.873 0.734 1.00 0.00 H new ATOM 0 HA THR A 79 110.957 12.378 -0.491 1.00 0.00 H new ATOM 0 HB THR A 79 113.425 14.152 -0.594 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.448 15.245 1.207 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.687 15.877 -1.010 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.566 14.561 -2.201 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.418 14.641 -0.844 1.00 0.00 H new ATOM 1245 N ILE A 80 111.689 11.981 -2.865 1.00 0.00 N ATOM 1246 CA ILE A 80 112.091 11.550 -4.202 1.00 0.00 C ATOM 1247 C ILE A 80 112.129 12.746 -5.142 1.00 0.00 C ATOM 1248 O ILE A 80 111.236 13.595 -5.118 1.00 0.00 O ATOM 1249 CB ILE A 80 111.121 10.487 -4.729 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.688 11.034 -4.745 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.189 9.258 -3.822 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.745 10.012 -5.386 1.00 0.00 C ATOM 0 H ILE A 80 110.704 12.232 -2.778 1.00 0.00 H new ATOM 0 HA ILE A 80 113.088 11.113 -4.149 1.00 0.00 H new ATOM 0 HB ILE A 80 111.403 10.216 -5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.362 11.254 -3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.654 11.971 -5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.502 8.496 -4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.204 8.861 -3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.910 9.539 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.730 10.408 -5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 80 109.065 9.814 -6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.769 9.085 -4.813 1.00 0.00 H new ATOM 1264 N GLU A 81 113.180 12.822 -5.954 1.00 0.00 N ATOM 1265 CA GLU A 81 113.352 13.967 -6.839 1.00 0.00 C ATOM 1266 C GLU A 81 113.944 13.563 -8.182 1.00 0.00 C ATOM 1267 O GLU A 81 114.783 12.665 -8.271 1.00 0.00 O ATOM 1268 CB GLU A 81 114.270 14.996 -6.176 1.00 0.00 C ATOM 1269 CG GLU A 81 113.638 15.486 -4.870 1.00 0.00 C ATOM 1270 CD GLU A 81 114.475 16.585 -4.208 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.596 16.820 -4.634 1.00 0.00 O ATOM 1272 OE2 GLU A 81 113.974 17.184 -3.270 1.00 0.00 O ATOM 0 H GLU A 81 113.914 12.116 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 81 112.366 14.396 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 81 115.245 14.552 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 81 114.435 15.837 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 81 112.636 15.864 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.530 14.648 -4.182 1.00 0.00 H new ATOM 1279 N CYS A 82 113.477 14.238 -9.226 1.00 0.00 N ATOM 1280 CA CYS A 82 114.075 14.110 -10.551 1.00 0.00 C ATOM 1281 C CYS A 82 114.866 15.375 -10.867 1.00 0.00 C ATOM 1282 O CYS A 82 114.301 16.468 -10.926 1.00 0.00 O ATOM 1283 CB CYS A 82 112.981 13.909 -11.603 1.00 0.00 C ATOM 1284 SG CYS A 82 112.449 12.178 -11.598 1.00 0.00 S ATOM 0 H CYS A 82 112.686 14.880 -9.181 1.00 0.00 H new ATOM 0 HA CYS A 82 114.740 13.247 -10.566 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.134 14.561 -11.391 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.355 14.183 -12.589 1.00 0.00 H new ATOM 1359 N ALA A 88 116.946 9.833 -11.753 1.00 0.00 N ATOM 1360 CA ALA A 88 116.078 9.723 -10.589 1.00 0.00 C ATOM 1361 C ALA A 88 116.888 9.316 -9.364 1.00 0.00 C ATOM 1362 O ALA A 88 117.618 8.325 -9.396 1.00 0.00 O ATOM 1363 CB ALA A 88 114.987 8.682 -10.854 1.00 0.00 C ATOM 0 HA ALA A 88 115.616 10.692 -10.401 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.340 8.603 -9.981 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.396 8.987 -11.717 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.448 7.714 -11.053 1.00 0.00 H new ATOM 1369 N VAL A 89 116.741 10.073 -8.279 1.00 0.00 N ATOM 1370 CA VAL A 89 117.460 9.770 -7.044 1.00 0.00 C ATOM 1371 C VAL A 89 116.538 9.844 -5.830 1.00 0.00 C ATOM 1372 O VAL A 89 115.500 10.509 -5.851 1.00 0.00 O ATOM 1373 CB VAL A 89 118.621 10.750 -6.856 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.616 10.595 -8.007 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.085 12.185 -6.836 1.00 0.00 C ATOM 0 H VAL A 89 116.137 10.893 -8.229 1.00 0.00 H new ATOM 0 HA VAL A 89 117.844 8.753 -7.127 1.00 0.00 H new ATOM 0 HB VAL A 89 119.122 10.536 -5.912 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.441 11.294 -7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.002 9.576 -8.020 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.115 10.805 -8.952 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.913 12.881 -6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.581 12.398 -7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.379 12.298 -6.013 1.00 0.00 H new ATOM 1385 N PHE A 90 116.954 9.160 -4.770 1.00 0.00 N ATOM 1386 CA PHE A 90 116.219 9.129 -3.509 1.00 0.00 C ATOM 1387 C PHE A 90 117.033 9.816 -2.415 1.00 0.00 C ATOM 1388 O PHE A 90 118.192 9.478 -2.197 1.00 0.00 O ATOM 1389 CB PHE A 90 115.966 7.669 -3.126 1.00 0.00 C ATOM 1390 CG PHE A 90 115.290 7.471 -1.789 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.910 7.672 -1.657 1.00 0.00 C ATOM 1392 CD2 PHE A 90 116.046 7.065 -0.683 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.288 7.467 -0.419 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.425 6.862 0.555 1.00 0.00 C ATOM 1395 CZ PHE A 90 114.045 7.061 0.686 1.00 0.00 C ATOM 0 H PHE A 90 117.813 8.610 -4.760 1.00 0.00 H new ATOM 0 HA PHE A 90 115.271 9.655 -3.621 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.352 7.207 -3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.919 7.140 -3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.326 7.985 -2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.110 6.908 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.224 7.622 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 90 116.010 6.552 1.409 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.565 6.901 1.640 1.00 0.00 H new ATOM 1405 N VAL A 91 116.427 10.779 -1.732 1.00 0.00 N ATOM 1406 CA VAL A 91 117.108 11.498 -0.657 1.00 0.00 C ATOM 1407 C VAL A 91 116.546 11.050 0.684 1.00 0.00 C ATOM 1408 O VAL A 91 115.332 11.029 0.873 1.00 0.00 O ATOM 1409 CB VAL A 91 116.895 13.011 -0.824 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.630 13.803 0.270 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.411 13.450 -2.198 1.00 0.00 C ATOM 0 H VAL A 91 115.468 11.081 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 91 118.175 11.281 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 91 115.828 13.216 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.459 14.870 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.254 13.506 1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.699 13.595 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.260 14.523 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.474 13.222 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.866 12.918 -2.978 1.00 0.00 H new ATOM 1421 N ALA A 92 117.427 10.713 1.620 1.00 0.00 N ATOM 1422 CA ALA A 92 116.980 10.288 2.949 1.00 0.00 C ATOM 1423 C ALA A 92 117.120 11.428 3.960 1.00 0.00 C ATOM 1424 O ALA A 92 117.931 12.327 3.754 1.00 0.00 O ATOM 1425 CB ALA A 92 117.805 9.087 3.414 1.00 0.00 C ATOM 0 H ALA A 92 118.439 10.724 1.491 1.00 0.00 H new ATOM 0 HA ALA A 92 115.929 10.007 2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.468 8.775 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.677 8.264 2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.858 9.365 3.460 1.00 0.00 H new ATOM 1431 N PRO A 93 116.362 11.423 5.040 1.00 0.00 N ATOM 1432 CA PRO A 93 116.464 12.502 6.072 1.00 0.00 C ATOM 1433 C PRO A 93 117.900 12.793 6.497 1.00 0.00 C ATOM 1434 O PRO A 93 118.214 13.905 6.925 1.00 0.00 O ATOM 1435 CB PRO A 93 115.657 11.973 7.261 1.00 0.00 C ATOM 1436 CG PRO A 93 114.700 10.981 6.696 1.00 0.00 C ATOM 1437 CD PRO A 93 115.313 10.448 5.401 1.00 0.00 C ATOM 0 HA PRO A 93 116.090 13.447 5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 93 116.310 11.509 8.000 1.00 0.00 H new ATOM 0 HB3 PRO A 93 115.129 12.782 7.765 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.526 10.169 7.402 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.734 11.446 6.501 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.733 9.453 5.545 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.563 10.367 4.614 1.00 0.00 H new ATOM 1445 N ASP A 94 118.770 11.797 6.380 1.00 0.00 N ATOM 1446 CA ASP A 94 120.160 11.957 6.800 1.00 0.00 C ATOM 1447 C ASP A 94 120.922 12.995 5.960 1.00 0.00 C ATOM 1448 O ASP A 94 122.027 13.390 6.328 1.00 0.00 O ATOM 1449 CB ASP A 94 120.875 10.597 6.734 1.00 0.00 C ATOM 1450 CG ASP A 94 120.749 9.949 5.350 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.319 10.615 4.424 1.00 0.00 O ATOM 1452 OD2 ASP A 94 121.097 8.784 5.232 1.00 0.00 O ATOM 0 H ASP A 94 118.542 10.878 6.002 1.00 0.00 H new ATOM 0 HA ASP A 94 120.149 12.329 7.824 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.929 10.729 6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.455 9.930 7.487 1.00 0.00 H new ATOM 1457 N GLY A 95 120.345 13.438 4.841 1.00 0.00 N ATOM 1458 CA GLY A 95 121.025 14.384 3.954 1.00 0.00 C ATOM 1459 C GLY A 95 121.889 13.691 2.888 1.00 0.00 C ATOM 1460 O GLY A 95 122.656 14.351 2.187 1.00 0.00 O ATOM 0 H GLY A 95 119.415 13.159 4.529 1.00 0.00 H new ATOM 0 HA2 GLY A 95 120.282 15.010 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.654 15.045 4.550 1.00 0.00 H new ATOM 1464 N THR A 96 121.767 12.370 2.766 1.00 0.00 N ATOM 1465 CA THR A 96 122.532 11.603 1.799 1.00 0.00 C ATOM 1466 C THR A 96 121.666 11.324 0.582 1.00 0.00 C ATOM 1467 O THR A 96 120.477 11.035 0.718 1.00 0.00 O ATOM 1468 CB THR A 96 122.963 10.276 2.430 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.691 10.534 3.621 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.839 9.486 1.454 1.00 0.00 C ATOM 0 H THR A 96 121.135 11.808 3.336 1.00 0.00 H new ATOM 0 HA THR A 96 123.415 12.168 1.499 1.00 0.00 H new ATOM 0 HB THR A 96 122.075 9.688 2.663 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.966 9.685 4.027 1.00 0.00 H new ATOM 0 HG21 THR A 96 124.139 8.545 1.914 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.276 9.281 0.543 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.727 10.069 1.208 1.00 0.00 H new ATOM 1478 N THR A 97 122.258 11.414 -0.603 1.00 0.00 N ATOM 1479 CA THR A 97 121.526 11.125 -1.828 1.00 0.00 C ATOM 1480 C THR A 97 121.936 9.763 -2.374 1.00 0.00 C ATOM 1481 O THR A 97 123.121 9.457 -2.506 1.00 0.00 O ATOM 1482 CB THR A 97 121.808 12.205 -2.875 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.522 13.483 -2.324 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.928 11.970 -4.105 1.00 0.00 C ATOM 0 H THR A 97 123.233 11.682 -0.741 1.00 0.00 H new ATOM 0 HA THR A 97 120.459 11.114 -1.604 1.00 0.00 H new ATOM 0 HB THR A 97 122.857 12.161 -3.168 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.704 14.176 -2.993 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.130 12.740 -4.849 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.148 10.990 -4.528 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.878 12.013 -3.815 1.00 0.00 H new ATOM 1492 N TYR A 98 120.933 8.954 -2.685 1.00 0.00 N ATOM 1493 CA TYR A 98 121.148 7.624 -3.236 1.00 0.00 C ATOM 1494 C TYR A 98 120.581 7.575 -4.651 1.00 0.00 C ATOM 1495 O TYR A 98 119.598 8.249 -4.944 1.00 0.00 O ATOM 1496 CB TYR A 98 120.430 6.589 -2.366 1.00 0.00 C ATOM 1497 CG TYR A 98 120.871 6.574 -0.917 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.947 5.770 -0.516 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.197 7.356 0.029 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.346 5.751 0.827 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.597 7.339 1.371 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.672 6.536 1.772 1.00 0.00 C ATOM 1503 OH TYR A 98 122.068 6.516 3.096 1.00 0.00 O ATOM 0 H TYR A 98 119.951 9.200 -2.563 1.00 0.00 H new ATOM 0 HA TYR A 98 122.215 7.402 -3.257 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.358 6.781 -2.405 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.592 5.599 -2.792 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.469 5.165 -1.243 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.366 7.974 -0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.175 5.130 1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 98 120.076 7.946 2.097 1.00 0.00 H new ATOM 0 HH TYR A 98 121.696 7.294 3.561 1.00 0.00 H new ATOM 1513 N ALA A 99 121.192 6.783 -5.523 1.00 0.00 N ATOM 1514 CA ALA A 99 120.738 6.694 -6.906 1.00 0.00 C ATOM 1515 C ALA A 99 119.647 5.638 -7.052 1.00 0.00 C ATOM 1516 O ALA A 99 119.820 4.492 -6.636 1.00 0.00 O ATOM 1517 CB ALA A 99 121.915 6.340 -7.817 1.00 0.00 C ATOM 0 H ALA A 99 121.997 6.197 -5.300 1.00 0.00 H new ATOM 0 HA ALA A 99 120.328 7.662 -7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.570 6.275 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.681 7.112 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.334 5.381 -7.514 1.00 0.00 H new ATOM 1523 N LEU A 100 118.523 6.030 -7.645 1.00 0.00 N ATOM 1524 CA LEU A 100 117.420 5.103 -7.858 1.00 0.00 C ATOM 1525 C LEU A 100 117.614 4.340 -9.161 1.00 0.00 C ATOM 1526 O LEU A 100 117.527 3.113 -9.193 1.00 0.00 O ATOM 1527 CB LEU A 100 116.090 5.856 -7.920 1.00 0.00 C ATOM 1528 CG LEU A 100 115.671 6.299 -6.518 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.652 7.433 -6.637 1.00 0.00 C ATOM 1530 CD2 LEU A 100 115.027 5.116 -5.791 1.00 0.00 C ATOM 0 H LEU A 100 118.354 6.977 -7.984 1.00 0.00 H new ATOM 0 HA LEU A 100 117.403 4.404 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.185 6.725 -8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.321 5.216 -8.353 1.00 0.00 H new ATOM 0 HG LEU A 100 116.542 6.643 -5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.348 7.755 -5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.102 8.272 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.779 7.082 -7.187 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.726 5.425 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.151 4.781 -6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.745 4.299 -5.718 1.00 0.00 H new ATOM 1542 N ASN A 101 117.876 5.079 -10.239 1.00 0.00 N ATOM 1543 CA ASN A 101 118.001 4.463 -11.564 1.00 0.00 C ATOM 1544 C ASN A 101 119.456 4.394 -12.027 1.00 0.00 C ATOM 1545 O ASN A 101 120.348 5.016 -11.449 1.00 0.00 O ATOM 1546 CB ASN A 101 117.130 5.213 -12.582 1.00 0.00 C ATOM 1547 CG ASN A 101 117.693 6.594 -12.908 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.707 7.006 -12.350 1.00 0.00 O ATOM 1549 ND2 ASN A 101 117.089 7.337 -13.794 1.00 0.00 N ATOM 0 H ASN A 101 118.005 6.091 -10.225 1.00 0.00 H new ATOM 0 HA ASN A 101 117.645 3.436 -11.490 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.056 4.626 -13.498 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.119 5.317 -12.187 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.459 8.260 -14.023 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.247 6.995 -14.258 1.00 0.00 H new ATOM 1556 N ASP A 102 119.684 3.627 -13.089 1.00 0.00 N ATOM 1557 CA ASP A 102 121.039 3.343 -13.549 1.00 0.00 C ATOM 1558 C ASP A 102 121.835 4.618 -13.818 1.00 0.00 C ATOM 1559 O ASP A 102 123.015 4.692 -13.483 1.00 0.00 O ATOM 1560 CB ASP A 102 120.985 2.503 -14.828 1.00 0.00 C ATOM 1561 CG ASP A 102 122.388 2.050 -15.212 1.00 0.00 C ATOM 1562 OD1 ASP A 102 122.834 1.051 -14.673 1.00 0.00 O ATOM 1563 OD2 ASP A 102 122.996 2.707 -16.041 1.00 0.00 O ATOM 0 H ASP A 102 118.949 3.192 -13.646 1.00 0.00 H new ATOM 0 HA ASP A 102 121.544 2.794 -12.754 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.342 1.636 -14.677 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.548 3.086 -15.638 1.00 0.00 H new ATOM 1568 N ARG A 103 121.197 5.620 -14.415 1.00 0.00 N ATOM 1569 CA ARG A 103 121.909 6.839 -14.787 1.00 0.00 C ATOM 1570 C ARG A 103 122.434 7.573 -13.554 1.00 0.00 C ATOM 1571 O ARG A 103 123.568 8.052 -13.546 1.00 0.00 O ATOM 1572 CB ARG A 103 120.998 7.737 -15.625 1.00 0.00 C ATOM 1573 CG ARG A 103 120.729 7.039 -16.961 1.00 0.00 C ATOM 1574 CD ARG A 103 119.918 7.952 -17.882 1.00 0.00 C ATOM 1575 NE ARG A 103 118.653 8.320 -17.246 1.00 0.00 N ATOM 1576 CZ ARG A 103 117.649 7.457 -17.040 1.00 0.00 C ATOM 1577 NH1 ARG A 103 117.722 6.196 -17.387 1.00 0.00 N ATOM 1578 NH2 ARG A 103 116.562 7.900 -16.473 1.00 0.00 N ATOM 0 H ARG A 103 120.204 5.614 -14.649 1.00 0.00 H new ATOM 0 HA ARG A 103 122.776 6.566 -15.389 1.00 0.00 H new ATOM 0 HB2 ARG A 103 120.062 7.924 -15.099 1.00 0.00 H new ATOM 0 HB3 ARG A 103 121.469 8.706 -15.791 1.00 0.00 H new ATOM 0 HG2 ARG A 103 121.673 6.775 -17.438 1.00 0.00 H new ATOM 0 HG3 ARG A 103 120.187 6.109 -16.791 1.00 0.00 H new ATOM 0 HD2 ARG A 103 120.492 8.850 -18.113 1.00 0.00 H new ATOM 0 HD3 ARG A 103 119.724 7.446 -18.828 1.00 0.00 H new ATOM 0 HE ARG A 103 118.529 9.286 -16.943 1.00 0.00 H new ATOM 0 HH11 ARG A 103 118.567 5.838 -17.832 1.00 0.00 H new ATOM 0 HH12 ARG A 103 116.934 5.572 -17.212 1.00 0.00 H new ATOM 0 HH21 ARG A 103 116.493 8.880 -16.199 1.00 0.00 H new ATOM 0 HH22 ARG A 103 115.781 7.267 -16.303 1.00 0.00 H new ATOM 1592 N ALA A 104 121.629 7.629 -12.497 1.00 0.00 N ATOM 1593 CA ALA A 104 122.077 8.229 -11.243 1.00 0.00 C ATOM 1594 C ALA A 104 123.315 7.507 -10.705 1.00 0.00 C ATOM 1595 O ALA A 104 124.213 8.131 -10.133 1.00 0.00 O ATOM 1596 CB ALA A 104 120.952 8.169 -10.208 1.00 0.00 C ATOM 0 H ALA A 104 120.674 7.271 -12.482 1.00 0.00 H new ATOM 0 HA ALA A 104 122.340 9.269 -11.434 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.292 8.618 -9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.086 8.717 -10.580 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.675 7.130 -10.031 1.00 0.00 H new ATOM 1602 N GLU A 105 123.351 6.184 -10.864 1.00 0.00 N ATOM 1603 CA GLU A 105 124.526 5.416 -10.460 1.00 0.00 C ATOM 1604 C GLU A 105 125.741 5.828 -11.290 1.00 0.00 C ATOM 1605 O GLU A 105 126.842 5.977 -10.763 1.00 0.00 O ATOM 1606 CB GLU A 105 124.268 3.917 -10.627 1.00 0.00 C ATOM 1607 CG GLU A 105 123.126 3.489 -9.697 1.00 0.00 C ATOM 1608 CD GLU A 105 122.879 1.978 -9.759 1.00 0.00 C ATOM 1609 OE1 GLU A 105 123.430 1.316 -10.626 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.129 1.498 -8.924 1.00 0.00 O ATOM 0 H GLU A 105 122.593 5.630 -11.263 1.00 0.00 H new ATOM 0 HA GLU A 105 124.727 5.624 -9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 105 124.011 3.694 -11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.172 3.353 -10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 105 123.364 3.777 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 105 122.214 4.018 -9.973 1.00 0.00 H new ATOM 1617 N LYS A 106 125.533 6.048 -12.584 1.00 0.00 N ATOM 1618 CA LYS A 106 126.607 6.528 -13.455 1.00 0.00 C ATOM 1619 C LYS A 106 127.172 7.861 -12.955 1.00 0.00 C ATOM 1620 O LYS A 106 128.365 8.128 -13.093 1.00 0.00 O ATOM 1621 CB LYS A 106 126.079 6.694 -14.884 1.00 0.00 C ATOM 1622 CG LYS A 106 127.227 7.050 -15.835 1.00 0.00 C ATOM 1623 CD LYS A 106 128.078 5.807 -16.109 1.00 0.00 C ATOM 1624 CE LYS A 106 129.165 6.148 -17.130 1.00 0.00 C ATOM 1625 NZ LYS A 106 128.577 6.148 -18.499 1.00 0.00 N ATOM 0 H LYS A 106 124.639 5.904 -13.053 1.00 0.00 H new ATOM 0 HA LYS A 106 127.410 5.791 -13.443 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.599 5.772 -15.211 1.00 0.00 H new ATOM 0 HB3 LYS A 106 125.320 7.476 -14.910 1.00 0.00 H new ATOM 0 HG2 LYS A 106 126.828 7.442 -16.770 1.00 0.00 H new ATOM 0 HG3 LYS A 106 127.844 7.835 -15.397 1.00 0.00 H new ATOM 0 HD2 LYS A 106 128.532 5.453 -15.183 1.00 0.00 H new ATOM 0 HD3 LYS A 106 127.450 4.999 -16.486 1.00 0.00 H new ATOM 0 HE2 LYS A 106 129.595 7.125 -16.907 1.00 0.00 H new ATOM 0 HE3 LYS A 106 129.976 5.422 -17.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 129.335 6.262 -19.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 128.083 5.248 -18.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 127.902 6.934 -18.587 1.00 0.00 H new ATOM 1639 N ALA A 107 126.307 8.691 -12.376 1.00 0.00 N ATOM 1640 CA ALA A 107 126.720 9.981 -11.817 1.00 0.00 C ATOM 1641 C ALA A 107 127.520 9.844 -10.511 1.00 0.00 C ATOM 1642 O ALA A 107 127.902 10.851 -9.916 1.00 0.00 O ATOM 1643 CB ALA A 107 125.484 10.842 -11.557 1.00 0.00 C ATOM 0 H ALA A 107 125.311 8.494 -12.280 1.00 0.00 H new ATOM 0 HA ALA A 107 127.376 10.448 -12.551 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.790 11.802 -11.141 1.00 0.00 H new ATOM 0 HB2 ALA A 107 124.951 11.006 -12.494 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.828 10.333 -10.851 1.00 0.00 H new ATOM 1649 N GLY A 108 127.776 8.616 -10.064 1.00 0.00 N ATOM 1650 CA GLY A 108 128.571 8.388 -8.862 1.00 0.00 C ATOM 1651 C GLY A 108 127.784 8.600 -7.570 1.00 0.00 C ATOM 1652 O GLY A 108 128.377 8.874 -6.526 1.00 0.00 O ATOM 0 H GLY A 108 127.444 7.765 -10.517 1.00 0.00 H new ATOM 0 HA2 GLY A 108 128.960 7.370 -8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.431 9.058 -8.870 1.00 0.00 H new ATOM 1656 N HIS A 109 126.457 8.479 -7.631 1.00 0.00 N ATOM 1657 CA HIS A 109 125.651 8.511 -6.417 1.00 0.00 C ATOM 1658 C HIS A 109 125.534 7.088 -5.850 1.00 0.00 C ATOM 1659 O HIS A 109 125.118 6.193 -6.590 1.00 0.00 O ATOM 1660 CB HIS A 109 124.255 9.048 -6.739 1.00 0.00 C ATOM 1661 CG HIS A 109 124.179 10.552 -6.738 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.861 11.325 -5.813 1.00 0.00 N ATOM 1663 CD2 HIS A 109 123.503 11.437 -7.543 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.586 12.614 -6.079 1.00 0.00 C ATOM 1665 NE2 HIS A 109 123.763 12.740 -7.124 1.00 0.00 N ATOM 0 H HIS A 109 125.927 8.360 -8.495 1.00 0.00 H new ATOM 0 HA HIS A 109 126.126 9.162 -5.682 1.00 0.00 H new ATOM 0 HB2 HIS A 109 123.947 8.677 -7.716 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.546 8.655 -6.011 1.00 0.00 H new ATOM 0 HD2 HIS A 109 122.868 11.164 -8.373 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.982 13.446 -5.516 1.00 0.00 H new ATOM 0 HE2 HIS A 109 123.403 13.604 -7.528 1.00 0.00 H new ATOM 1673 N PRO A 110 125.869 6.833 -4.597 1.00 0.00 N ATOM 1674 CA PRO A 110 125.799 5.442 -4.043 1.00 0.00 C ATOM 1675 C PRO A 110 124.377 4.881 -4.122 1.00 0.00 C ATOM 1676 O PRO A 110 123.425 5.656 -4.123 1.00 0.00 O ATOM 1677 CB PRO A 110 126.258 5.573 -2.586 1.00 0.00 C ATOM 1678 CG PRO A 110 126.963 6.883 -2.501 1.00 0.00 C ATOM 1679 CD PRO A 110 126.324 7.778 -3.558 1.00 0.00 C ATOM 0 HA PRO A 110 126.423 4.750 -4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.409 5.541 -1.904 1.00 0.00 H new ATOM 0 HB3 PRO A 110 126.921 4.753 -2.309 1.00 0.00 H new ATOM 0 HG2 PRO A 110 126.858 7.318 -1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 110 128.031 6.763 -2.686 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.492 8.350 -3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 110 127.039 8.497 -3.958 1.00 0.00 H new ATOM 1687 N PRO A 111 124.199 3.579 -4.212 1.00 0.00 N ATOM 1688 CA PRO A 111 122.830 2.985 -4.293 1.00 0.00 C ATOM 1689 C PRO A 111 122.138 2.932 -2.931 1.00 0.00 C ATOM 1690 O PRO A 111 122.795 2.958 -1.891 1.00 0.00 O ATOM 1691 CB PRO A 111 123.068 1.581 -4.849 1.00 0.00 C ATOM 1692 CG PRO A 111 124.461 1.220 -4.455 1.00 0.00 C ATOM 1693 CD PRO A 111 125.235 2.526 -4.260 1.00 0.00 C ATOM 0 HA PRO A 111 122.165 3.582 -4.918 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.349 0.871 -4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 111 122.951 1.564 -5.933 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.460 0.634 -3.536 1.00 0.00 H new ATOM 0 HG3 PRO A 111 124.931 0.607 -5.224 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.820 2.505 -3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 111 125.934 2.697 -5.079 1.00 0.00 H new ATOM 1701 N ILE A 112 120.808 2.858 -2.947 1.00 0.00 N ATOM 1702 CA ILE A 112 120.037 2.809 -1.702 1.00 0.00 C ATOM 1703 C ILE A 112 120.366 1.565 -0.861 1.00 0.00 C ATOM 1704 O ILE A 112 119.992 1.521 0.310 1.00 0.00 O ATOM 1705 CB ILE A 112 118.528 2.870 -2.011 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.224 4.173 -2.759 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.711 2.851 -0.708 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.779 4.182 -3.270 1.00 0.00 C ATOM 0 H ILE A 112 120.245 2.831 -3.797 1.00 0.00 H new ATOM 0 HA ILE A 112 120.319 3.678 -1.108 1.00 0.00 H new ATOM 0 HB ILE A 112 118.258 2.005 -2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.386 5.024 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.912 4.286 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.648 2.895 -0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.923 1.934 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.982 3.711 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.585 5.116 -3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.628 3.343 -3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.094 4.093 -2.427 1.00 0.00 H new ATOM 1720 N THR A 113 121.094 0.589 -1.413 1.00 0.00 N ATOM 1721 CA THR A 113 121.303 -0.691 -0.733 1.00 0.00 C ATOM 1722 C THR A 113 121.642 -0.597 0.768 1.00 0.00 C ATOM 1723 O THR A 113 121.094 -1.402 1.523 1.00 0.00 O ATOM 1724 CB THR A 113 122.317 -1.568 -1.494 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.123 -2.923 -1.114 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.775 -1.185 -1.215 1.00 0.00 C ATOM 0 H THR A 113 121.546 0.661 -2.325 1.00 0.00 H new ATOM 0 HA THR A 113 120.328 -1.177 -0.754 1.00 0.00 H new ATOM 0 HB THR A 113 122.140 -1.415 -2.559 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.762 -3.492 -1.593 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.438 -1.840 -1.781 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.943 -0.151 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 113 123.982 -1.292 -0.150 1.00 0.00 H new ATOM 1734 N PRO A 114 122.448 0.336 1.255 1.00 0.00 N ATOM 1735 CA PRO A 114 122.841 0.331 2.704 1.00 0.00 C ATOM 1736 C PRO A 114 121.633 0.440 3.636 1.00 0.00 C ATOM 1737 O PRO A 114 121.640 -0.110 4.738 1.00 0.00 O ATOM 1738 CB PRO A 114 123.776 1.536 2.870 1.00 0.00 C ATOM 1739 CG PRO A 114 124.207 1.893 1.490 1.00 0.00 C ATOM 1740 CD PRO A 114 123.039 1.514 0.587 1.00 0.00 C ATOM 0 HA PRO A 114 123.324 -0.608 2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.262 2.369 3.349 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.632 1.286 3.497 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.434 2.956 1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.111 1.353 1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.319 2.328 0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.374 1.276 -0.422 1.00 0.00 H new ATOM 1748 N ILE A 115 120.599 1.152 3.193 1.00 0.00 N ATOM 1749 CA ILE A 115 119.382 1.320 3.997 1.00 0.00 C ATOM 1750 C ILE A 115 118.253 0.363 3.591 1.00 0.00 C ATOM 1751 O ILE A 115 117.140 0.497 4.091 1.00 0.00 O ATOM 1752 CB ILE A 115 118.862 2.766 3.929 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.781 3.254 2.474 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.783 3.681 4.741 1.00 0.00 C ATOM 1755 CD1 ILE A 115 118.001 4.573 2.396 1.00 0.00 C ATOM 0 H ILE A 115 120.575 1.621 2.288 1.00 0.00 H new ATOM 0 HA ILE A 115 119.674 1.079 5.019 1.00 0.00 H new ATOM 0 HB ILE A 115 117.857 2.794 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.785 3.394 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.294 2.499 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.414 4.705 4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.800 3.351 5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.792 3.639 4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.952 4.906 1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.991 4.421 2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.505 5.330 2.997 1.00 0.00 H new ATOM 1767 N ARG A 116 118.520 -0.593 2.703 1.00 0.00 N ATOM 1768 CA ARG A 116 117.492 -1.537 2.272 1.00 0.00 C ATOM 1769 C ARG A 116 117.276 -2.610 3.335 1.00 0.00 C ATOM 1770 O ARG A 116 118.233 -3.091 3.944 1.00 0.00 O ATOM 1771 CB ARG A 116 117.920 -2.192 0.957 1.00 0.00 C ATOM 1772 CG ARG A 116 116.777 -3.047 0.409 1.00 0.00 C ATOM 1773 CD ARG A 116 117.250 -3.782 -0.845 1.00 0.00 C ATOM 1774 NE ARG A 116 117.653 -2.821 -1.876 1.00 0.00 N ATOM 1775 CZ ARG A 116 118.292 -3.170 -3.004 1.00 0.00 C ATOM 1776 NH1 ARG A 116 118.603 -4.414 -3.277 1.00 0.00 N ATOM 1777 NH2 ARG A 116 118.614 -2.237 -3.860 1.00 0.00 N ATOM 0 H ARG A 116 119.433 -0.734 2.271 1.00 0.00 H new ATOM 0 HA ARG A 116 116.556 -0.998 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.194 -1.427 0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.804 -2.810 1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.450 -3.764 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 116 115.918 -2.418 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 116 118.088 -4.434 -0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 116 116.451 -4.419 -1.224 1.00 0.00 H new ATOM 0 HE ARG A 116 117.437 -1.835 -1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 116 118.359 -5.156 -2.621 1.00 0.00 H new ATOM 0 HH12 ARG A 116 119.089 -4.640 -4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 116 118.380 -1.264 -3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 116 119.100 -2.482 -4.723 1.00 0.00 H new ATOM 1791 N ALA A 117 116.020 -2.985 3.558 1.00 0.00 N ATOM 1792 CA ALA A 117 115.695 -3.969 4.582 1.00 0.00 C ATOM 1793 C ALA A 117 115.833 -5.391 4.051 1.00 0.00 C ATOM 1794 O ALA A 117 115.513 -5.669 2.895 1.00 0.00 O ATOM 1795 CB ALA A 117 114.260 -3.757 5.060 1.00 0.00 C ATOM 0 H ALA A 117 115.215 -2.624 3.046 1.00 0.00 H new ATOM 0 HA ALA A 117 116.395 -3.836 5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 117 114.019 -4.494 5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.160 -2.755 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.576 -3.871 4.219 1.00 0.00 H new ATOM 1883 N ILE A 125 114.450 -6.868 0.164 1.00 0.00 N ATOM 1884 CA ILE A 125 113.156 -6.400 -0.320 1.00 0.00 C ATOM 1885 C ILE A 125 113.339 -5.439 -1.494 1.00 0.00 C ATOM 1886 O ILE A 125 114.154 -4.519 -1.440 1.00 0.00 O ATOM 1887 CB ILE A 125 112.405 -5.729 0.839 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.197 -6.756 1.960 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.039 -5.217 0.374 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.663 -6.071 3.221 1.00 0.00 C ATOM 0 HA ILE A 125 112.569 -7.245 -0.681 1.00 0.00 H new ATOM 0 HB ILE A 125 112.994 -4.885 1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.497 -7.525 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.139 -7.257 2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.523 -4.745 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.176 -4.489 -0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.444 -6.052 0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.521 -6.814 4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.377 -5.320 3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 125 110.710 -5.591 2.999 1.00 0.00 H new ATOM 1902 N SER A 126 112.565 -5.665 -2.552 1.00 0.00 N ATOM 1903 CA SER A 126 112.698 -4.895 -3.785 1.00 0.00 C ATOM 1904 C SER A 126 112.353 -3.425 -3.583 1.00 0.00 C ATOM 1905 O SER A 126 111.421 -3.081 -2.857 1.00 0.00 O ATOM 1906 CB SER A 126 111.778 -5.483 -4.857 1.00 0.00 C ATOM 1907 OG SER A 126 112.129 -6.842 -5.079 1.00 0.00 O ATOM 0 H SER A 126 111.836 -6.378 -2.580 1.00 0.00 H new ATOM 0 HA SER A 126 113.740 -4.955 -4.099 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.738 -5.411 -4.540 1.00 0.00 H new ATOM 0 HB3 SER A 126 111.869 -4.915 -5.783 1.00 0.00 H new ATOM 0 HG SER A 126 111.541 -7.224 -5.764 1.00 0.00 H new ATOM 1913 N LEU A 127 113.126 -2.568 -4.241 1.00 0.00 N ATOM 1914 CA LEU A 127 112.814 -1.138 -4.300 1.00 0.00 C ATOM 1915 C LEU A 127 112.005 -0.772 -5.556 1.00 0.00 C ATOM 1916 O LEU A 127 111.803 0.408 -5.837 1.00 0.00 O ATOM 1917 CB LEU A 127 114.109 -0.317 -4.301 1.00 0.00 C ATOM 1918 CG LEU A 127 114.987 -0.682 -3.099 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.289 0.117 -3.164 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.255 -0.340 -1.799 1.00 0.00 C ATOM 0 H LEU A 127 113.973 -2.835 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 127 112.212 -0.908 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.658 -0.497 -5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.871 0.746 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 127 115.204 -1.750 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.916 -0.140 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.817 -0.122 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.063 1.183 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.884 -0.602 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 127 114.037 0.728 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.323 -0.902 -1.748 1.00 0.00 H new ATOM 1932 N GLY A 128 111.544 -1.766 -6.319 1.00 0.00 N ATOM 1933 CA GLY A 128 110.880 -1.508 -7.595 1.00 0.00 C ATOM 1934 C GLY A 128 109.792 -0.441 -7.490 1.00 0.00 C ATOM 1935 O GLY A 128 109.715 0.452 -8.334 1.00 0.00 O ATOM 0 H GLY A 128 111.619 -2.753 -6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.622 -1.193 -8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.440 -2.434 -7.964 1.00 0.00 H new ATOM 1939 N ALA A 129 108.968 -0.515 -6.448 1.00 0.00 N ATOM 1940 CA ALA A 129 107.857 0.423 -6.307 1.00 0.00 C ATOM 1941 C ALA A 129 108.367 1.859 -6.240 1.00 0.00 C ATOM 1942 O ALA A 129 107.883 2.739 -6.956 1.00 0.00 O ATOM 1943 CB ALA A 129 107.060 0.103 -5.042 1.00 0.00 C ATOM 0 H ALA A 129 109.046 -1.203 -5.699 1.00 0.00 H new ATOM 0 HA ALA A 129 107.211 0.322 -7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.234 0.807 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.667 -0.911 -5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.711 0.185 -4.171 1.00 0.00 H new ATOM 1949 N LEU A 130 109.369 2.088 -5.400 1.00 0.00 N ATOM 1950 CA LEU A 130 109.918 3.428 -5.233 1.00 0.00 C ATOM 1951 C LEU A 130 110.452 3.955 -6.562 1.00 0.00 C ATOM 1952 O LEU A 130 110.230 5.112 -6.919 1.00 0.00 O ATOM 1953 CB LEU A 130 111.040 3.396 -4.195 1.00 0.00 C ATOM 1954 CG LEU A 130 111.538 4.816 -3.923 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.465 5.597 -3.163 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.814 4.752 -3.082 1.00 0.00 C ATOM 0 H LEU A 130 109.815 1.370 -4.828 1.00 0.00 H new ATOM 0 HA LEU A 130 109.126 4.094 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.679 2.944 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.861 2.776 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 130 111.748 5.316 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.820 6.609 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.555 5.640 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.254 5.099 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.172 5.763 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.602 4.253 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.579 4.195 -3.623 1.00 0.00 H new ATOM 1968 N LEU A 131 111.132 3.090 -7.307 1.00 0.00 N ATOM 1969 CA LEU A 131 111.709 3.492 -8.584 1.00 0.00 C ATOM 1970 C LEU A 131 110.618 3.973 -9.534 1.00 0.00 C ATOM 1971 O LEU A 131 110.763 5.008 -10.179 1.00 0.00 O ATOM 1972 CB LEU A 131 112.461 2.310 -9.207 1.00 0.00 C ATOM 1973 CG LEU A 131 113.147 2.741 -10.507 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.321 3.666 -10.188 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.666 1.502 -11.240 1.00 0.00 C ATOM 0 H LEU A 131 111.296 2.116 -7.052 1.00 0.00 H new ATOM 0 HA LEU A 131 112.406 4.312 -8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.203 1.932 -8.504 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.767 1.494 -9.408 1.00 0.00 H new ATOM 0 HG LEU A 131 112.430 3.269 -11.136 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.807 3.971 -11.115 1.00 0.00 H new ATOM 0 HD12 LEU A 131 113.956 4.549 -9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.038 3.139 -9.559 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.155 1.805 -12.166 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.382 0.978 -10.607 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.832 0.839 -11.470 1.00 0.00 H new ATOM 1987 N SER A 132 109.515 3.236 -9.590 1.00 0.00 N ATOM 1988 CA SER A 132 108.439 3.573 -10.513 1.00 0.00 C ATOM 1989 C SER A 132 107.913 4.976 -10.234 1.00 0.00 C ATOM 1990 O SER A 132 107.708 5.764 -11.157 1.00 0.00 O ATOM 1991 CB SER A 132 107.300 2.561 -10.384 1.00 0.00 C ATOM 1992 OG SER A 132 107.819 1.250 -10.570 1.00 0.00 O ATOM 0 H SER A 132 109.343 2.411 -9.015 1.00 0.00 H new ATOM 0 HA SER A 132 108.835 3.542 -11.528 1.00 0.00 H new ATOM 0 HB2 SER A 132 106.832 2.645 -9.403 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.527 2.768 -11.124 1.00 0.00 H new ATOM 0 HG SER A 132 108.295 0.969 -9.761 1.00 0.00 H new ATOM 1998 N THR A 133 107.731 5.294 -8.957 1.00 0.00 N ATOM 1999 CA THR A 133 107.188 6.597 -8.588 1.00 0.00 C ATOM 2000 C THR A 133 108.102 7.717 -9.072 1.00 0.00 C ATOM 2001 O THR A 133 107.649 8.678 -9.700 1.00 0.00 O ATOM 2002 CB THR A 133 107.024 6.685 -7.068 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.253 5.583 -6.614 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.316 7.990 -6.702 1.00 0.00 C ATOM 0 H THR A 133 107.947 4.680 -8.172 1.00 0.00 H new ATOM 0 HA THR A 133 106.214 6.711 -9.064 1.00 0.00 H new ATOM 0 HB THR A 133 108.006 6.664 -6.595 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.148 5.636 -5.641 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.201 8.050 -5.620 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.908 8.836 -7.051 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.334 8.016 -7.174 1.00 0.00 H new ATOM 2012 N THR A 134 109.399 7.574 -8.814 1.00 0.00 N ATOM 2013 CA THR A 134 110.349 8.615 -9.187 1.00 0.00 C ATOM 2014 C THR A 134 110.382 8.802 -10.703 1.00 0.00 C ATOM 2015 O THR A 134 110.440 9.928 -11.193 1.00 0.00 O ATOM 2016 CB THR A 134 111.747 8.278 -8.668 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.659 7.929 -7.294 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.654 9.500 -8.825 1.00 0.00 C ATOM 0 H THR A 134 109.811 6.761 -8.356 1.00 0.00 H new ATOM 0 HA THR A 134 110.022 9.549 -8.730 1.00 0.00 H new ATOM 0 HB THR A 134 112.161 7.444 -9.235 1.00 0.00 H new ATOM 0 HG1 THR A 134 110.912 8.411 -6.881 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.652 9.263 -8.456 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.713 9.776 -9.878 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.244 10.333 -8.254 1.00 0.00 H new ATOM 2026 N LEU A 135 110.323 7.699 -11.446 1.00 0.00 N ATOM 2027 CA LEU A 135 110.348 7.774 -12.903 1.00 0.00 C ATOM 2028 C LEU A 135 109.161 8.576 -13.425 1.00 0.00 C ATOM 2029 O LEU A 135 109.300 9.354 -14.369 1.00 0.00 O ATOM 2030 CB LEU A 135 110.322 6.367 -13.506 1.00 0.00 C ATOM 2031 CG LEU A 135 111.621 5.634 -13.165 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.492 4.160 -13.556 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.780 6.262 -13.942 1.00 0.00 C ATOM 0 H LEU A 135 110.258 6.754 -11.068 1.00 0.00 H new ATOM 0 HA LEU A 135 111.268 8.277 -13.200 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.468 5.811 -13.119 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.200 6.427 -14.588 1.00 0.00 H new ATOM 0 HG LEU A 135 111.812 5.714 -12.095 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.417 3.637 -13.313 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.665 3.709 -13.007 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.302 4.083 -14.626 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.706 5.740 -13.699 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.587 6.181 -15.012 1.00 0.00 H new ATOM 0 HD23 LEU A 135 112.874 7.313 -13.669 1.00 0.00 H new ATOM 2045 N ASN A 136 107.997 8.386 -12.810 1.00 0.00 N ATOM 2046 CA ASN A 136 106.807 9.125 -13.218 1.00 0.00 C ATOM 2047 C ASN A 136 107.047 10.626 -13.095 1.00 0.00 C ATOM 2048 O ASN A 136 106.664 11.402 -13.970 1.00 0.00 O ATOM 2049 CB ASN A 136 105.617 8.723 -12.344 1.00 0.00 C ATOM 2050 CG ASN A 136 105.272 7.253 -12.563 1.00 0.00 C ATOM 2051 OD1 ASN A 136 105.607 6.678 -13.599 1.00 0.00 O ATOM 2052 ND2 ASN A 136 104.614 6.605 -11.640 1.00 0.00 N ATOM 0 H ASN A 136 107.853 7.736 -12.038 1.00 0.00 H new ATOM 0 HA ASN A 136 106.589 8.885 -14.259 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.853 8.896 -11.294 1.00 0.00 H new ATOM 0 HB3 ASN A 136 104.755 9.345 -12.583 1.00 0.00 H new ATOM 0 HD21 ASN A 136 104.377 5.622 -11.777 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.337 7.081 -10.782 1.00 0.00 H new ATOM 2059 N LEU A 137 107.686 11.027 -12.000 1.00 0.00 N ATOM 2060 CA LEU A 137 108.019 12.434 -11.793 1.00 0.00 C ATOM 2061 C LEU A 137 108.983 12.933 -12.868 1.00 0.00 C ATOM 2062 O LEU A 137 108.863 14.060 -13.347 1.00 0.00 O ATOM 2063 CB LEU A 137 108.651 12.628 -10.412 1.00 0.00 C ATOM 2064 CG LEU A 137 107.709 12.110 -9.320 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.389 12.255 -7.957 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.408 12.918 -9.321 1.00 0.00 C ATOM 0 H LEU A 137 107.982 10.405 -11.248 1.00 0.00 H new ATOM 0 HA LEU A 137 107.096 13.011 -11.857 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.603 12.099 -10.362 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.864 13.684 -10.247 1.00 0.00 H new ATOM 0 HG LEU A 137 107.480 11.062 -9.514 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.722 11.888 -7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.312 11.676 -7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.617 13.305 -7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.746 12.542 -8.541 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.632 13.968 -9.132 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.920 12.820 -10.291 1.00 0.00 H new ATOM 2078 N CYS A 138 109.937 12.087 -13.242 1.00 0.00 N ATOM 2079 CA CYS A 138 110.899 12.436 -14.285 1.00 0.00 C ATOM 2080 C CYS A 138 110.210 12.735 -15.624 1.00 0.00 C ATOM 2081 O CYS A 138 110.756 13.465 -16.450 1.00 0.00 O ATOM 2082 CB CYS A 138 111.893 11.285 -14.474 1.00 0.00 C ATOM 2083 SG CYS A 138 113.256 11.409 -13.284 1.00 0.00 S ATOM 0 H CYS A 138 110.066 11.158 -12.841 1.00 0.00 H new ATOM 0 HA CYS A 138 111.420 13.339 -13.965 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.380 10.331 -14.348 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.288 11.303 -15.490 1.00 0.00 H new ATOM 2088 N GLY A 139 109.019 12.178 -15.842 1.00 0.00 N ATOM 2089 CA GLY A 139 108.294 12.404 -17.090 1.00 0.00 C ATOM 2090 C GLY A 139 108.692 11.415 -18.191 1.00 0.00 C ATOM 2091 O GLY A 139 108.517 11.705 -19.374 1.00 0.00 O ATOM 0 H GLY A 139 108.540 11.572 -15.176 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.223 12.323 -16.904 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.481 13.421 -17.435 1.00 0.00 H new