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 -45:sc= 1.22 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.825 K(o=2,f=-3.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.806 K(o=-0.81,f=-2.2!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -76:sc= 0.386 USER MOD Single : A 77 HIS : no HD1:sc= -2.03 K(o=-2,f=-4.5!) 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 161:sc= 0.013 USER MOD Single : A 101 ASN : amide:sc= -1.61 K(o=-1.6,f=-5.5!) USER MOD Single : A 106 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.129) USER MOD Single : A 109 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.37) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.35 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot -66:sc= 1.02 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot -20:sc= -0.745 USER MOD Single : A 136 ASN : amide:sc=-0.00567 K(o=-0.0057,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 108.721 16.179 -8.432 1.00 0.00 N ATOM 920 CA LYS A 59 109.014 15.981 -7.012 1.00 0.00 C ATOM 921 C LYS A 59 107.807 15.443 -6.238 1.00 0.00 C ATOM 922 O LYS A 59 106.672 15.862 -6.466 1.00 0.00 O ATOM 923 CB LYS A 59 109.460 17.313 -6.401 1.00 0.00 C ATOM 924 CG LYS A 59 109.903 17.110 -4.949 1.00 0.00 C ATOM 925 CD LYS A 59 110.271 18.460 -4.332 1.00 0.00 C ATOM 926 CE LYS A 59 110.857 18.243 -2.936 1.00 0.00 C ATOM 927 NZ LYS A 59 110.765 19.509 -2.155 1.00 0.00 N ATOM 0 HA LYS A 59 109.807 15.237 -6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.281 17.731 -6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 59 108.641 18.032 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 59 109.102 16.643 -4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 59 110.758 16.436 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.994 18.976 -4.965 1.00 0.00 H new ATOM 0 HD3 LYS A 59 109.388 19.097 -4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 59 110.317 17.447 -2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 59 111.897 17.925 -3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 111.164 19.361 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.299 20.257 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 109.768 19.794 -2.071 1.00 0.00 H new ATOM 941 N GLN A 60 108.070 14.511 -5.322 1.00 0.00 N ATOM 942 CA GLN A 60 107.057 14.067 -4.364 1.00 0.00 C ATOM 943 C GLN A 60 107.697 13.696 -3.031 1.00 0.00 C ATOM 944 O GLN A 60 108.817 13.192 -2.987 1.00 0.00 O ATOM 945 CB GLN A 60 106.278 12.853 -4.875 1.00 0.00 C ATOM 946 CG GLN A 60 105.323 13.267 -5.993 1.00 0.00 C ATOM 947 CD GLN A 60 104.409 12.098 -6.354 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.817 11.198 -7.087 1.00 0.00 O ATOM 949 NE2 GLN A 60 103.192 12.046 -5.876 1.00 0.00 N ATOM 0 H GLN A 60 108.974 14.049 -5.223 1.00 0.00 H new ATOM 0 HA GLN A 60 106.370 14.903 -4.234 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.971 12.096 -5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.717 12.402 -4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.726 14.122 -5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.890 13.581 -6.870 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.851 12.790 -5.268 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.585 11.261 -6.111 1.00 0.00 H new ATOM 958 N ASP A 61 106.969 13.937 -1.945 1.00 0.00 N ATOM 959 CA ASP A 61 107.408 13.482 -0.630 1.00 0.00 C ATOM 960 C ASP A 61 106.782 12.124 -0.332 1.00 0.00 C ATOM 961 O ASP A 61 105.562 11.970 -0.399 1.00 0.00 O ATOM 962 CB ASP A 61 106.990 14.490 0.444 1.00 0.00 C ATOM 963 CG ASP A 61 107.672 15.837 0.209 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.777 15.844 -0.310 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.076 16.844 0.551 1.00 0.00 O ATOM 0 H ASP A 61 106.081 14.439 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 61 108.494 13.394 -0.625 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.907 14.617 0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.254 14.109 1.431 1.00 0.00 H new ATOM 970 N ILE A 62 107.612 11.135 -0.004 1.00 0.00 N ATOM 971 CA ILE A 62 107.121 9.773 0.209 1.00 0.00 C ATOM 972 C ILE A 62 107.566 9.250 1.578 1.00 0.00 C ATOM 973 O ILE A 62 108.668 9.560 2.030 1.00 0.00 O ATOM 974 CB ILE A 62 107.620 8.885 -0.943 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.882 7.546 -0.910 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.133 8.650 -0.860 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.517 7.694 -1.590 1.00 0.00 C ATOM 0 H ILE A 62 108.618 11.248 0.119 1.00 0.00 H new ATOM 0 HA ILE A 62 106.031 9.760 0.210 1.00 0.00 H new ATOM 0 HB ILE A 62 107.415 9.399 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.471 6.782 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.752 7.216 0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.449 8.018 -1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.653 9.606 -0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.374 8.158 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 62 104.993 6.739 -1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.928 8.445 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.658 8.004 -2.625 1.00 0.00 H new ATOM 989 N SER A 63 106.722 8.449 2.232 1.00 0.00 N ATOM 990 CA SER A 63 107.011 8.033 3.603 1.00 0.00 C ATOM 991 C SER A 63 106.426 6.661 3.930 1.00 0.00 C ATOM 992 O SER A 63 105.472 6.200 3.301 1.00 0.00 O ATOM 993 CB SER A 63 106.458 9.066 4.586 1.00 0.00 C ATOM 994 OG SER A 63 105.040 8.973 4.614 1.00 0.00 O ATOM 0 H SER A 63 105.852 8.083 1.844 1.00 0.00 H new ATOM 0 HA SER A 63 108.095 7.962 3.696 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.865 8.892 5.582 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.763 10.069 4.288 1.00 0.00 H new ATOM 0 HG SER A 63 104.698 8.912 3.698 1.00 0.00 H new ATOM 1000 N GLU A 64 106.990 6.031 4.956 1.00 0.00 N ATOM 1001 CA GLU A 64 106.537 4.713 5.383 1.00 0.00 C ATOM 1002 C GLU A 64 105.040 4.710 5.693 1.00 0.00 C ATOM 1003 O GLU A 64 104.354 3.726 5.431 1.00 0.00 O ATOM 1004 CB GLU A 64 107.324 4.269 6.621 1.00 0.00 C ATOM 1005 CG GLU A 64 107.091 5.249 7.778 1.00 0.00 C ATOM 1006 CD GLU A 64 107.932 4.892 9.010 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.611 3.875 8.998 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.874 5.648 9.965 1.00 0.00 O ATOM 0 H GLU A 64 107.760 6.412 5.506 1.00 0.00 H new ATOM 0 HA GLU A 64 106.714 4.015 4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 64 107.015 3.266 6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.387 4.219 6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.336 6.260 7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 64 106.035 5.248 8.047 1.00 0.00 H new ATOM 1015 N ALA A 65 104.530 5.817 6.226 1.00 0.00 N ATOM 1016 CA ALA A 65 103.129 5.882 6.623 1.00 0.00 C ATOM 1017 C ALA A 65 102.209 5.603 5.438 1.00 0.00 C ATOM 1018 O ALA A 65 101.233 4.863 5.562 1.00 0.00 O ATOM 1019 CB ALA A 65 102.812 7.266 7.195 1.00 0.00 C ATOM 0 H ALA A 65 105.060 6.672 6.391 1.00 0.00 H new ATOM 0 HA ALA A 65 102.959 5.120 7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.763 7.307 7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.441 7.453 8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 65 103.006 8.026 6.438 1.00 0.00 H new ATOM 1025 N ASN A 66 102.523 6.195 4.291 1.00 0.00 N ATOM 1026 CA ASN A 66 101.669 6.050 3.115 1.00 0.00 C ATOM 1027 C ASN A 66 101.741 4.634 2.550 1.00 0.00 C ATOM 1028 O ASN A 66 100.716 4.029 2.236 1.00 0.00 O ATOM 1029 CB ASN A 66 102.090 7.040 2.025 1.00 0.00 C ATOM 1030 CG ASN A 66 102.145 8.462 2.576 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.221 8.962 2.899 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.043 9.148 2.691 1.00 0.00 N ATOM 0 H ASN A 66 103.351 6.773 4.149 1.00 0.00 H new ATOM 0 HA ASN A 66 100.645 6.256 3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.067 6.760 1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.386 6.994 1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.071 10.102 3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.152 8.731 2.422 1.00 0.00 H new ATOM 1039 N LEU A 67 102.956 4.113 2.411 1.00 0.00 N ATOM 1040 CA LEU A 67 103.144 2.790 1.816 1.00 0.00 C ATOM 1041 C LEU A 67 102.681 1.657 2.732 1.00 0.00 C ATOM 1042 O LEU A 67 102.327 0.581 2.248 1.00 0.00 O ATOM 1043 CB LEU A 67 104.611 2.583 1.431 1.00 0.00 C ATOM 1044 CG LEU A 67 104.903 3.359 0.143 1.00 0.00 C ATOM 1045 CD1 LEU A 67 105.129 4.832 0.482 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.149 2.791 -0.550 1.00 0.00 C ATOM 0 H LEU A 67 103.817 4.578 2.698 1.00 0.00 H new ATOM 0 HA LEU A 67 102.520 2.757 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.263 2.927 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.816 1.522 1.286 1.00 0.00 H new ATOM 0 HG LEU A 67 104.053 3.263 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.337 5.388 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 67 104.236 5.237 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.975 4.923 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.345 3.352 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 67 107.007 2.874 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 67 105.982 1.742 -0.797 1.00 0.00 H new ATOM 1058 N ALA A 68 102.690 1.883 4.046 1.00 0.00 N ATOM 1059 CA ALA A 68 102.335 0.842 5.012 1.00 0.00 C ATOM 1060 C ALA A 68 103.439 -0.228 5.020 1.00 0.00 C ATOM 1061 O ALA A 68 104.599 0.111 4.790 1.00 0.00 O ATOM 1062 CB ALA A 68 100.942 0.269 4.691 1.00 0.00 C ATOM 0 H ALA A 68 102.939 2.778 4.466 1.00 0.00 H new ATOM 0 HA ALA A 68 102.270 1.258 6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.690 -0.504 5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.201 1.067 4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.948 -0.162 3.690 1.00 0.00 H new ATOM 1068 N TYR A 69 103.114 -1.504 5.251 1.00 0.00 N ATOM 1069 CA TYR A 69 104.140 -2.548 5.308 1.00 0.00 C ATOM 1070 C TYR A 69 104.993 -2.596 4.033 1.00 0.00 C ATOM 1071 O TYR A 69 106.116 -3.101 4.054 1.00 0.00 O ATOM 1072 CB TYR A 69 103.476 -3.910 5.522 1.00 0.00 C ATOM 1073 CG TYR A 69 102.711 -4.008 6.821 1.00 0.00 C ATOM 1074 CD1 TYR A 69 103.391 -4.276 8.015 1.00 0.00 C ATOM 1075 CD2 TYR A 69 101.323 -3.829 6.830 1.00 0.00 C ATOM 1076 CE1 TYR A 69 102.682 -4.367 9.218 1.00 0.00 C ATOM 1077 CE2 TYR A 69 100.614 -3.920 8.034 1.00 0.00 C ATOM 1078 CZ TYR A 69 101.293 -4.189 9.228 1.00 0.00 C ATOM 1079 OH TYR A 69 100.595 -4.277 10.415 1.00 0.00 O ATOM 0 H TYR A 69 102.161 -1.835 5.400 1.00 0.00 H new ATOM 0 HA TYR A 69 104.801 -2.310 6.142 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.797 -4.109 4.693 1.00 0.00 H new ATOM 0 HB3 TYR A 69 104.241 -4.686 5.500 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.462 -4.412 8.008 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.799 -3.621 5.909 1.00 0.00 H new ATOM 0 HE1 TYR A 69 103.206 -4.575 10.139 1.00 0.00 H new ATOM 0 HE2 TYR A 69 99.543 -3.783 8.041 1.00 0.00 H new ATOM 0 HH TYR A 69 99.641 -4.127 10.246 1.00 0.00 H new ATOM 1089 N LEU A 70 104.465 -2.073 2.928 1.00 0.00 N ATOM 1090 CA LEU A 70 105.178 -2.081 1.651 1.00 0.00 C ATOM 1091 C LEU A 70 106.496 -1.298 1.705 1.00 0.00 C ATOM 1092 O LEU A 70 107.375 -1.514 0.869 1.00 0.00 O ATOM 1093 CB LEU A 70 104.285 -1.495 0.555 1.00 0.00 C ATOM 1094 CG LEU A 70 103.226 -2.525 0.151 1.00 0.00 C ATOM 1095 CD1 LEU A 70 102.110 -2.558 1.197 1.00 0.00 C ATOM 1096 CD2 LEU A 70 102.638 -2.142 -1.207 1.00 0.00 C ATOM 0 H LEU A 70 103.544 -1.637 2.891 1.00 0.00 H new ATOM 0 HA LEU A 70 105.423 -3.120 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.804 -0.584 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 70 104.887 -1.219 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 70 103.688 -3.510 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 70 101.359 -3.292 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 70 102.527 -2.832 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 70 101.647 -1.574 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 70 101.884 -2.874 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 70 102.179 -1.156 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 70 103.431 -2.123 -1.955 1.00 0.00 H new ATOM 1108 N TRP A 71 106.642 -0.396 2.674 1.00 0.00 N ATOM 1109 CA TRP A 71 107.833 0.445 2.759 1.00 0.00 C ATOM 1110 C TRP A 71 109.097 -0.427 2.812 1.00 0.00 C ATOM 1111 O TRP A 71 109.247 -1.207 3.754 1.00 0.00 O ATOM 1112 CB TRP A 71 107.759 1.295 4.028 1.00 0.00 C ATOM 1113 CG TRP A 71 108.760 2.405 4.070 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.750 2.522 4.983 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.889 3.554 3.181 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.464 3.677 4.724 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.980 4.343 3.617 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.171 3.985 2.053 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.346 5.519 2.956 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.535 5.163 1.384 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.620 5.927 1.833 1.00 0.00 C ATOM 0 H TRP A 71 105.953 -0.230 3.408 1.00 0.00 H new ATOM 0 HA TRP A 71 107.878 1.086 1.879 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.758 1.718 4.113 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.908 0.651 4.895 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.950 1.826 5.784 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.254 3.998 5.284 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.332 3.405 1.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.181 6.106 3.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.975 5.483 0.517 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.896 6.832 1.311 1.00 0.00 H new ATOM 1132 N PRO A 72 110.007 -0.335 1.860 1.00 0.00 N ATOM 1133 CA PRO A 72 111.175 -1.262 1.796 1.00 0.00 C ATOM 1134 C PRO A 72 112.403 -0.776 2.568 1.00 0.00 C ATOM 1135 O PRO A 72 113.343 -1.542 2.780 1.00 0.00 O ATOM 1136 CB PRO A 72 111.474 -1.306 0.300 1.00 0.00 C ATOM 1137 CG PRO A 72 111.157 0.066 -0.189 1.00 0.00 C ATOM 1138 CD PRO A 72 110.094 0.640 0.753 1.00 0.00 C ATOM 0 HA PRO A 72 110.946 -2.225 2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.517 -1.563 0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 72 110.865 -2.057 -0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.050 0.691 -0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 72 110.788 0.035 -1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.379 1.627 1.117 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.135 0.751 0.247 1.00 0.00 H new ATOM 1146 N LEU A 73 112.411 0.492 2.968 1.00 0.00 N ATOM 1147 CA LEU A 73 113.611 1.090 3.553 1.00 0.00 C ATOM 1148 C LEU A 73 113.547 1.132 5.076 1.00 0.00 C ATOM 1149 O LEU A 73 112.484 1.319 5.667 1.00 0.00 O ATOM 1150 CB LEU A 73 113.795 2.518 3.035 1.00 0.00 C ATOM 1151 CG LEU A 73 113.821 2.537 1.505 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.929 3.987 1.033 1.00 0.00 C ATOM 1153 CD2 LEU A 73 115.026 1.743 0.993 1.00 0.00 C ATOM 0 H LEU A 73 111.611 1.121 2.900 1.00 0.00 H new ATOM 0 HA LEU A 73 114.453 0.464 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.984 3.150 3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.723 2.935 3.425 1.00 0.00 H new ATOM 0 HG LEU A 73 112.908 2.084 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.949 4.014 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 73 113.070 4.552 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.845 4.429 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 73 115.037 1.761 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.945 2.190 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 73 114.955 0.711 1.338 1.00 0.00 H new ATOM 1165 N THR A 74 114.709 0.953 5.698 1.00 0.00 N ATOM 1166 CA THR A 74 114.837 1.104 7.142 1.00 0.00 C ATOM 1167 C THR A 74 114.629 2.562 7.547 1.00 0.00 C ATOM 1168 O THR A 74 114.027 2.836 8.587 1.00 0.00 O ATOM 1169 CB THR A 74 116.222 0.639 7.598 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.216 1.458 6.998 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.440 -0.818 7.187 1.00 0.00 C ATOM 0 H THR A 74 115.576 0.703 5.223 1.00 0.00 H new ATOM 0 HA THR A 74 114.074 0.491 7.621 1.00 0.00 H new ATOM 0 HB THR A 74 116.291 0.718 8.683 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.325 1.204 6.058 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.427 -1.144 7.514 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.679 -1.445 7.651 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.370 -0.905 6.103 1.00 0.00 H new ATOM 1179 N VAL A 75 115.125 3.496 6.731 1.00 0.00 N ATOM 1180 CA VAL A 75 114.864 4.909 6.981 1.00 0.00 C ATOM 1181 C VAL A 75 113.367 5.149 6.851 1.00 0.00 C ATOM 1182 O VAL A 75 112.756 4.749 5.866 1.00 0.00 O ATOM 1183 CB VAL A 75 115.636 5.813 6.009 1.00 0.00 C ATOM 1184 CG1 VAL A 75 117.130 5.739 6.332 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.416 5.374 4.558 1.00 0.00 C ATOM 0 H VAL A 75 115.697 3.302 5.909 1.00 0.00 H new ATOM 0 HA VAL A 75 115.205 5.160 7.985 1.00 0.00 H new ATOM 0 HB VAL A 75 115.271 6.834 6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.683 6.379 5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.298 6.075 7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.475 4.710 6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.974 6.031 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.763 4.349 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.354 5.430 4.318 1.00 0.00 H new ATOM 1195 N ASP A 76 112.775 5.779 7.856 1.00 0.00 N ATOM 1196 CA ASP A 76 111.321 5.841 7.945 1.00 0.00 C ATOM 1197 C ASP A 76 110.702 6.574 6.763 1.00 0.00 C ATOM 1198 O ASP A 76 109.595 6.236 6.343 1.00 0.00 O ATOM 1199 CB ASP A 76 110.902 6.516 9.253 1.00 0.00 C ATOM 1200 CG ASP A 76 111.318 5.668 10.453 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.368 4.455 10.319 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.573 6.246 11.498 1.00 0.00 O ATOM 0 H ASP A 76 113.271 6.249 8.613 1.00 0.00 H new ATOM 0 HA ASP A 76 110.952 4.816 7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.360 7.503 9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.822 6.664 9.262 1.00 0.00 H new ATOM 1207 N HIS A 77 111.392 7.585 6.243 1.00 0.00 N ATOM 1208 CA HIS A 77 110.858 8.337 5.115 1.00 0.00 C ATOM 1209 C HIS A 77 111.980 8.837 4.221 1.00 0.00 C ATOM 1210 O HIS A 77 113.157 8.640 4.518 1.00 0.00 O ATOM 1211 CB HIS A 77 110.013 9.511 5.613 1.00 0.00 C ATOM 1212 CG HIS A 77 110.725 10.404 6.593 1.00 0.00 C ATOM 1213 ND1 HIS A 77 111.211 9.933 7.802 1.00 0.00 N ATOM 1214 CD2 HIS A 77 111.024 11.744 6.564 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.770 10.973 8.446 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.684 12.101 7.737 1.00 0.00 N ATOM 0 H HIS A 77 112.304 7.897 6.577 1.00 0.00 H new ATOM 0 HA HIS A 77 110.224 7.671 4.529 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.697 10.107 4.757 1.00 0.00 H new ATOM 0 HB3 HIS A 77 109.109 9.122 6.082 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.784 12.418 5.755 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.233 10.904 9.419 1.00 0.00 H new ATOM 0 HE2 HIS A 77 112.028 13.025 7.998 1.00 0.00 H new ATOM 1224 N GLY A 78 111.597 9.426 3.096 1.00 0.00 N ATOM 1225 CA GLY A 78 112.554 10.033 2.189 1.00 0.00 C ATOM 1226 C GLY A 78 111.825 10.803 1.095 1.00 0.00 C ATOM 1227 O GLY A 78 110.628 10.617 0.872 1.00 0.00 O ATOM 0 H GLY A 78 110.626 9.495 2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.213 10.705 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.184 9.263 1.744 1.00 0.00 H new ATOM 1231 N THR A 79 112.545 11.694 0.430 1.00 0.00 N ATOM 1232 CA THR A 79 111.963 12.486 -0.647 1.00 0.00 C ATOM 1233 C THR A 79 112.517 12.029 -1.992 1.00 0.00 C ATOM 1234 O THR A 79 113.706 11.749 -2.112 1.00 0.00 O ATOM 1235 CB THR A 79 112.283 13.966 -0.432 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.097 14.290 0.938 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.331 14.804 -1.285 1.00 0.00 C ATOM 0 H THR A 79 113.529 11.887 0.615 1.00 0.00 H new ATOM 0 HA THR A 79 110.882 12.347 -0.644 1.00 0.00 H new ATOM 0 HB THR A 79 113.315 14.171 -0.717 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.303 15.237 1.081 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.549 15.862 -1.141 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.462 14.547 -2.336 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.302 14.602 -0.987 1.00 0.00 H new ATOM 1245 N ILE A 80 111.657 11.952 -3.003 1.00 0.00 N ATOM 1246 CA ILE A 80 112.087 11.521 -4.331 1.00 0.00 C ATOM 1247 C ILE A 80 112.111 12.713 -5.280 1.00 0.00 C ATOM 1248 O ILE A 80 111.185 13.525 -5.294 1.00 0.00 O ATOM 1249 CB ILE A 80 111.150 10.432 -4.862 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.700 10.932 -4.867 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.264 9.199 -3.964 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.788 9.880 -5.505 1.00 0.00 C ATOM 0 H ILE A 80 110.666 12.180 -2.931 1.00 0.00 H new ATOM 0 HA ILE A 80 113.093 11.107 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 80 111.434 10.179 -5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.374 11.139 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.631 11.869 -5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.600 8.417 -4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.292 8.837 -3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.981 9.463 -2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.760 10.242 -5.505 1.00 0.00 H new ATOM 0 HD12 ILE A 80 109.108 9.695 -6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.846 8.953 -4.934 1.00 0.00 H new ATOM 1264 N GLU A 81 113.183 12.824 -6.061 1.00 0.00 N ATOM 1265 CA GLU A 81 113.354 13.980 -6.933 1.00 0.00 C ATOM 1266 C GLU A 81 113.900 13.588 -8.299 1.00 0.00 C ATOM 1267 O GLU A 81 114.713 12.669 -8.423 1.00 0.00 O ATOM 1268 CB GLU A 81 114.318 14.976 -6.284 1.00 0.00 C ATOM 1269 CG GLU A 81 113.743 15.455 -4.946 1.00 0.00 C ATOM 1270 CD GLU A 81 114.630 16.521 -4.294 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.742 16.737 -4.755 1.00 0.00 O ATOM 1272 OE2 GLU A 81 114.177 17.114 -3.329 1.00 0.00 O ATOM 0 H GLU A 81 113.936 12.137 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 81 112.372 14.431 -7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 81 115.289 14.507 -6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 81 114.479 15.826 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 81 112.744 15.861 -5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.639 14.606 -4.270 1.00 0.00 H new ATOM 1279 N CYS A 82 113.434 14.300 -9.320 1.00 0.00 N ATOM 1280 CA CYS A 82 113.981 14.166 -10.665 1.00 0.00 C ATOM 1281 C CYS A 82 114.790 15.414 -11.010 1.00 0.00 C ATOM 1282 O CYS A 82 114.252 16.521 -11.048 1.00 0.00 O ATOM 1283 CB CYS A 82 112.846 13.983 -11.677 1.00 0.00 C ATOM 1284 SG CYS A 82 112.491 12.219 -11.870 1.00 0.00 S ATOM 0 H CYS A 82 112.676 14.978 -9.241 1.00 0.00 H new ATOM 0 HA CYS A 82 114.630 13.291 -10.705 1.00 0.00 H new ATOM 0 HB2 CYS A 82 111.954 14.510 -11.339 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.127 14.416 -12.637 1.00 0.00 H new ATOM 1359 N ALA A 88 117.060 9.984 -11.762 1.00 0.00 N ATOM 1360 CA ALA A 88 116.147 9.764 -10.648 1.00 0.00 C ATOM 1361 C ALA A 88 116.928 9.352 -9.406 1.00 0.00 C ATOM 1362 O ALA A 88 117.641 8.348 -9.417 1.00 0.00 O ATOM 1363 CB ALA A 88 115.140 8.670 -11.006 1.00 0.00 C ATOM 0 HA ALA A 88 115.613 10.692 -10.444 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.461 8.512 -10.168 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.569 8.974 -11.883 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.671 7.743 -11.223 1.00 0.00 H new ATOM 1369 N VAL A 89 116.778 10.120 -8.329 1.00 0.00 N ATOM 1370 CA VAL A 89 117.494 9.830 -7.088 1.00 0.00 C ATOM 1371 C VAL A 89 116.566 9.893 -5.877 1.00 0.00 C ATOM 1372 O VAL A 89 115.517 10.539 -5.906 1.00 0.00 O ATOM 1373 CB VAL A 89 118.640 10.827 -6.890 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.656 10.675 -8.021 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.086 12.255 -6.888 1.00 0.00 C ATOM 0 H VAL A 89 116.173 10.940 -8.289 1.00 0.00 H new ATOM 0 HA VAL A 89 117.891 8.818 -7.171 1.00 0.00 H new ATOM 0 HB VAL A 89 119.129 10.627 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.470 11.386 -7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.055 9.661 -8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.169 10.870 -8.976 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.903 12.962 -6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.593 12.455 -7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.367 12.365 -6.076 1.00 0.00 H new ATOM 1385 N PHE A 90 116.992 9.226 -4.810 1.00 0.00 N ATOM 1386 CA PHE A 90 116.255 9.187 -3.552 1.00 0.00 C ATOM 1387 C PHE A 90 117.049 9.898 -2.458 1.00 0.00 C ATOM 1388 O PHE A 90 118.212 9.584 -2.231 1.00 0.00 O ATOM 1389 CB PHE A 90 116.037 7.723 -3.157 1.00 0.00 C ATOM 1390 CG PHE A 90 115.347 7.519 -1.828 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.964 7.707 -1.713 1.00 0.00 C ATOM 1392 CD2 PHE A 90 116.094 7.122 -0.712 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.329 7.498 -0.482 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.460 6.914 0.518 1.00 0.00 C ATOM 1395 CZ PHE A 90 114.077 7.100 0.633 1.00 0.00 C ATOM 0 H PHE A 90 117.862 8.695 -4.793 1.00 0.00 H new ATOM 0 HA PHE A 90 115.296 9.690 -3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.448 7.236 -3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 90 117.004 7.222 -3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.387 8.013 -2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.160 6.976 -0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.263 7.644 -0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 90 116.037 6.610 1.379 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.587 6.937 1.582 1.00 0.00 H new ATOM 1405 N VAL A 91 116.422 10.854 -1.784 1.00 0.00 N ATOM 1406 CA VAL A 91 117.081 11.581 -0.700 1.00 0.00 C ATOM 1407 C VAL A 91 116.496 11.132 0.633 1.00 0.00 C ATOM 1408 O VAL A 91 115.280 11.129 0.806 1.00 0.00 O ATOM 1409 CB VAL A 91 116.864 13.092 -0.875 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.551 13.893 0.250 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.406 13.527 -2.244 1.00 0.00 C ATOM 0 H VAL A 91 115.462 11.145 -1.966 1.00 0.00 H new ATOM 0 HA VAL A 91 118.150 11.371 -0.722 1.00 0.00 H new ATOM 0 HB VAL A 91 115.795 13.298 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.378 14.958 0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.139 13.594 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.623 13.694 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.254 14.599 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.471 13.302 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.879 12.989 -3.032 1.00 0.00 H new ATOM 1421 N ALA A 92 117.362 10.776 1.576 1.00 0.00 N ATOM 1422 CA ALA A 92 116.894 10.356 2.897 1.00 0.00 C ATOM 1423 C ALA A 92 117.031 11.499 3.907 1.00 0.00 C ATOM 1424 O ALA A 92 117.861 12.385 3.712 1.00 0.00 O ATOM 1425 CB ALA A 92 117.703 9.150 3.376 1.00 0.00 C ATOM 0 H ALA A 92 118.375 10.768 1.457 1.00 0.00 H new ATOM 0 HA ALA A 92 115.842 10.082 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.349 8.842 4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.580 8.327 2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.757 9.420 3.437 1.00 0.00 H new ATOM 1431 N PRO A 93 116.254 11.512 4.972 1.00 0.00 N ATOM 1432 CA PRO A 93 116.357 12.590 6.004 1.00 0.00 C ATOM 1433 C PRO A 93 117.792 12.853 6.455 1.00 0.00 C ATOM 1434 O PRO A 93 118.121 13.957 6.888 1.00 0.00 O ATOM 1435 CB PRO A 93 115.520 12.076 7.178 1.00 0.00 C ATOM 1436 CG PRO A 93 114.545 11.117 6.589 1.00 0.00 C ATOM 1437 CD PRO A 93 115.177 10.559 5.314 1.00 0.00 C ATOM 0 HA PRO A 93 116.008 13.542 5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 93 116.149 11.587 7.923 1.00 0.00 H new ATOM 0 HB3 PRO A 93 115.007 12.896 7.682 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.322 10.314 7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.602 11.615 6.365 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.574 9.557 5.476 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.445 10.486 4.510 1.00 0.00 H new ATOM 1445 N ASP A 94 118.642 11.838 6.352 1.00 0.00 N ATOM 1446 CA ASP A 94 120.031 11.972 6.789 1.00 0.00 C ATOM 1447 C ASP A 94 120.816 13.008 5.971 1.00 0.00 C ATOM 1448 O ASP A 94 121.914 13.401 6.365 1.00 0.00 O ATOM 1449 CB ASP A 94 120.725 10.602 6.715 1.00 0.00 C ATOM 1450 CG ASP A 94 120.591 9.965 5.327 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.164 10.641 4.406 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.928 8.797 5.201 1.00 0.00 O ATOM 0 H ASP A 94 118.400 10.922 5.974 1.00 0.00 H new ATOM 0 HA ASP A 94 120.016 12.332 7.818 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.781 10.717 6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.294 9.936 7.463 1.00 0.00 H new ATOM 1457 N GLY A 95 120.267 13.455 4.839 1.00 0.00 N ATOM 1458 CA GLY A 95 120.974 14.391 3.961 1.00 0.00 C ATOM 1459 C GLY A 95 121.847 13.685 2.913 1.00 0.00 C ATOM 1460 O GLY A 95 122.639 14.331 2.228 1.00 0.00 O ATOM 0 H GLY A 95 119.340 13.186 4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 95 120.247 15.025 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.600 15.046 4.566 1.00 0.00 H new ATOM 1464 N THR A 96 121.706 12.365 2.790 1.00 0.00 N ATOM 1465 CA THR A 96 122.475 11.584 1.835 1.00 0.00 C ATOM 1466 C THR A 96 121.623 11.321 0.605 1.00 0.00 C ATOM 1467 O THR A 96 120.429 11.045 0.722 1.00 0.00 O ATOM 1468 CB THR A 96 122.872 10.251 2.475 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.594 10.499 3.672 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.741 9.437 1.512 1.00 0.00 C ATOM 0 H THR A 96 121.056 11.813 3.350 1.00 0.00 H new ATOM 0 HA THR A 96 123.373 12.132 1.548 1.00 0.00 H new ATOM 0 HB THR A 96 121.969 9.683 2.700 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.847 9.647 4.084 1.00 0.00 H new ATOM 0 HG21 THR A 96 124.016 8.492 1.980 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.183 9.240 0.597 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.644 9.999 1.273 1.00 0.00 H new ATOM 1478 N THR A 97 122.234 11.412 -0.570 1.00 0.00 N ATOM 1479 CA THR A 97 121.517 11.129 -1.807 1.00 0.00 C ATOM 1480 C THR A 97 121.936 9.769 -2.352 1.00 0.00 C ATOM 1481 O THR A 97 123.123 9.467 -2.472 1.00 0.00 O ATOM 1482 CB THR A 97 121.816 12.213 -2.846 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.521 13.488 -2.293 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.956 11.983 -4.089 1.00 0.00 C ATOM 0 H THR A 97 123.212 11.676 -0.692 1.00 0.00 H new ATOM 0 HA THR A 97 120.447 11.118 -1.598 1.00 0.00 H new ATOM 0 HB THR A 97 122.869 12.170 -3.124 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.713 14.184 -2.955 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.170 12.756 -4.828 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.182 11.004 -4.512 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.902 12.025 -3.815 1.00 0.00 H new ATOM 1492 N TYR A 98 120.940 8.955 -2.673 1.00 0.00 N ATOM 1493 CA TYR A 98 121.168 7.632 -3.236 1.00 0.00 C ATOM 1494 C TYR A 98 120.619 7.599 -4.657 1.00 0.00 C ATOM 1495 O TYR A 98 119.645 8.282 -4.958 1.00 0.00 O ATOM 1496 CB TYR A 98 120.445 6.576 -2.395 1.00 0.00 C ATOM 1497 CG TYR A 98 120.836 6.546 -0.932 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.890 5.730 -0.502 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.133 7.323 -0.001 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.241 5.693 0.855 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.485 7.287 1.354 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.537 6.472 1.785 1.00 0.00 C ATOM 1503 OH TYR A 98 121.884 6.436 3.122 1.00 0.00 O ATOM 0 H TYR A 98 119.955 9.192 -2.551 1.00 0.00 H new ATOM 0 HA TYR A 98 122.237 7.418 -3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.371 6.750 -2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.638 5.594 -2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.433 5.129 -1.216 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.318 7.951 -0.329 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.055 5.064 1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 98 119.943 7.890 2.068 1.00 0.00 H new ATOM 0 HH TYR A 98 121.526 7.228 3.574 1.00 0.00 H new ATOM 1513 N ALA A 99 121.236 6.810 -5.529 1.00 0.00 N ATOM 1514 CA ALA A 99 120.788 6.722 -6.915 1.00 0.00 C ATOM 1515 C ALA A 99 119.702 5.662 -7.064 1.00 0.00 C ATOM 1516 O ALA A 99 119.876 4.518 -6.645 1.00 0.00 O ATOM 1517 CB ALA A 99 121.971 6.369 -7.817 1.00 0.00 C ATOM 0 H ALA A 99 122.042 6.226 -5.304 1.00 0.00 H new ATOM 0 HA ALA A 99 120.377 7.688 -7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.633 6.304 -8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.736 7.141 -7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.389 5.410 -7.511 1.00 0.00 H new ATOM 1523 N LEU A 100 118.580 6.050 -7.664 1.00 0.00 N ATOM 1524 CA LEU A 100 117.484 5.115 -7.884 1.00 0.00 C ATOM 1525 C LEU A 100 117.684 4.366 -9.195 1.00 0.00 C ATOM 1526 O LEU A 100 117.612 3.139 -9.239 1.00 0.00 O ATOM 1527 CB LEU A 100 116.149 5.859 -7.938 1.00 0.00 C ATOM 1528 CG LEU A 100 115.738 6.307 -6.538 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.712 7.435 -6.657 1.00 0.00 C ATOM 1530 CD2 LEU A 100 115.104 5.126 -5.800 1.00 0.00 C ATOM 0 H LEU A 100 118.408 6.996 -8.003 1.00 0.00 H new ATOM 0 HA LEU A 100 117.472 4.407 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.233 6.725 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.381 5.212 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 100 116.612 6.658 -5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.413 7.761 -5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.154 8.273 -7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.837 7.076 -7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.808 5.439 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.226 4.784 -6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.826 4.313 -5.727 1.00 0.00 H new ATOM 1542 N ASN A 101 117.937 5.119 -10.265 1.00 0.00 N ATOM 1543 CA ASN A 101 118.066 4.518 -11.595 1.00 0.00 C ATOM 1544 C ASN A 101 119.526 4.418 -12.038 1.00 0.00 C ATOM 1545 O ASN A 101 120.424 5.019 -11.445 1.00 0.00 O ATOM 1546 CB ASN A 101 117.234 5.305 -12.617 1.00 0.00 C ATOM 1547 CG ASN A 101 117.830 6.683 -12.896 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.853 7.054 -12.323 1.00 0.00 O ATOM 1549 ND2 ASN A 101 117.246 7.468 -13.759 1.00 0.00 N ATOM 0 H ASN A 101 118.056 6.132 -10.241 1.00 0.00 H new ATOM 0 HA ASN A 101 117.680 3.500 -11.538 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.173 4.741 -13.547 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.215 5.418 -12.246 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.638 8.388 -13.958 1.00 0.00 H new ATOM 0 HD22 ASN A 101 116.398 7.161 -14.235 1.00 0.00 H new ATOM 1556 N ASP A 102 119.751 3.652 -13.100 1.00 0.00 N ATOM 1557 CA ASP A 102 121.105 3.345 -13.548 1.00 0.00 C ATOM 1558 C ASP A 102 121.915 4.608 -13.827 1.00 0.00 C ATOM 1559 O ASP A 102 123.099 4.669 -13.501 1.00 0.00 O ATOM 1560 CB ASP A 102 121.048 2.490 -14.816 1.00 0.00 C ATOM 1561 CG ASP A 102 120.416 1.131 -14.518 1.00 0.00 C ATOM 1562 OD1 ASP A 102 120.560 0.655 -13.404 1.00 0.00 O ATOM 1563 OD2 ASP A 102 119.795 0.584 -15.415 1.00 0.00 O ATOM 0 H ASP A 102 119.014 3.232 -13.667 1.00 0.00 H new ATOM 0 HA ASP A 102 121.600 2.799 -12.745 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.471 3.006 -15.584 1.00 0.00 H new ATOM 0 HB3 ASP A 102 122.053 2.351 -15.213 1.00 0.00 H new ATOM 1568 N ARG A 103 121.285 5.615 -14.424 1.00 0.00 N ATOM 1569 CA ARG A 103 122.008 6.825 -14.808 1.00 0.00 C ATOM 1570 C ARG A 103 122.570 7.547 -13.584 1.00 0.00 C ATOM 1571 O ARG A 103 123.718 7.993 -13.591 1.00 0.00 O ATOM 1572 CB ARG A 103 121.089 7.742 -15.616 1.00 0.00 C ATOM 1573 CG ARG A 103 120.781 7.061 -16.953 1.00 0.00 C ATOM 1574 CD ARG A 103 119.951 7.991 -17.839 1.00 0.00 C ATOM 1575 NE ARG A 103 118.699 8.347 -17.168 1.00 0.00 N ATOM 1576 CZ ARG A 103 117.666 7.505 -17.032 1.00 0.00 C ATOM 1577 NH1 ARG A 103 117.698 6.274 -17.484 1.00 0.00 N ATOM 1578 NH2 ARG A 103 116.596 7.933 -16.424 1.00 0.00 N ATOM 0 H ARG A 103 120.290 5.620 -14.650 1.00 0.00 H new ATOM 0 HA ARG A 103 122.856 6.541 -15.431 1.00 0.00 H new ATOM 0 HB2 ARG A 103 120.167 7.934 -15.067 1.00 0.00 H new ATOM 0 HB3 ARG A 103 121.568 8.707 -15.783 1.00 0.00 H new ATOM 0 HG2 ARG A 103 121.710 6.798 -17.459 1.00 0.00 H new ATOM 0 HG3 ARG A 103 120.239 6.132 -16.780 1.00 0.00 H new ATOM 0 HD2 ARG A 103 120.520 8.893 -18.065 1.00 0.00 H new ATOM 0 HD3 ARG A 103 119.736 7.503 -18.790 1.00 0.00 H new ATOM 0 HE ARG A 103 118.609 9.287 -16.783 1.00 0.00 H new ATOM 0 HH11 ARG A 103 118.531 5.927 -17.959 1.00 0.00 H new ATOM 0 HH12 ARG A 103 116.890 5.664 -17.360 1.00 0.00 H new ATOM 0 HH21 ARG A 103 116.560 8.887 -16.066 1.00 0.00 H new ATOM 0 HH22 ARG A 103 115.794 7.314 -16.306 1.00 0.00 H new ATOM 1592 N ALA A 104 121.780 7.628 -12.518 1.00 0.00 N ATOM 1593 CA ALA A 104 122.253 8.233 -11.276 1.00 0.00 C ATOM 1594 C ALA A 104 123.465 7.478 -10.726 1.00 0.00 C ATOM 1595 O ALA A 104 124.383 8.079 -10.160 1.00 0.00 O ATOM 1596 CB ALA A 104 121.128 8.238 -10.239 1.00 0.00 C ATOM 0 H ALA A 104 120.819 7.287 -12.487 1.00 0.00 H new ATOM 0 HA ALA A 104 122.556 9.258 -11.488 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.487 8.691 -9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.284 8.813 -10.620 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.810 7.214 -10.042 1.00 0.00 H new ATOM 1602 N GLU A 105 123.458 6.153 -10.869 1.00 0.00 N ATOM 1603 CA GLU A 105 124.611 5.353 -10.466 1.00 0.00 C ATOM 1604 C GLU A 105 125.836 5.725 -11.300 1.00 0.00 C ATOM 1605 O GLU A 105 126.941 5.848 -10.776 1.00 0.00 O ATOM 1606 CB GLU A 105 124.308 3.862 -10.629 1.00 0.00 C ATOM 1607 CG GLU A 105 123.157 3.468 -9.696 1.00 0.00 C ATOM 1608 CD GLU A 105 122.865 1.966 -9.755 1.00 0.00 C ATOM 1609 OE1 GLU A 105 123.393 1.287 -10.625 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.105 1.508 -8.917 1.00 0.00 O ATOM 0 H GLU A 105 122.679 5.619 -11.255 1.00 0.00 H new ATOM 0 HA GLU A 105 124.821 5.560 -9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 105 124.042 3.645 -11.664 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.195 3.273 -10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 105 123.406 3.750 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 105 122.260 4.024 -9.971 1.00 0.00 H new ATOM 1617 N LYS A 106 125.630 5.942 -12.596 1.00 0.00 N ATOM 1618 CA LYS A 106 126.715 6.379 -13.474 1.00 0.00 C ATOM 1619 C LYS A 106 127.322 7.701 -12.994 1.00 0.00 C ATOM 1620 O LYS A 106 128.522 7.931 -13.139 1.00 0.00 O ATOM 1621 CB LYS A 106 126.190 6.544 -14.902 1.00 0.00 C ATOM 1622 CG LYS A 106 127.355 6.847 -15.848 1.00 0.00 C ATOM 1623 CD LYS A 106 126.817 7.094 -17.259 1.00 0.00 C ATOM 1624 CE LYS A 106 127.987 7.241 -18.234 1.00 0.00 C ATOM 1625 NZ LYS A 106 128.702 8.519 -17.962 1.00 0.00 N ATOM 0 H LYS A 106 124.730 5.824 -13.060 1.00 0.00 H new ATOM 0 HA LYS A 106 127.495 5.618 -13.452 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.678 5.635 -15.219 1.00 0.00 H new ATOM 0 HB3 LYS A 106 125.459 7.351 -14.940 1.00 0.00 H new ATOM 0 HG2 LYS A 106 127.903 7.722 -15.498 1.00 0.00 H new ATOM 0 HG3 LYS A 106 128.057 6.013 -15.856 1.00 0.00 H new ATOM 0 HD2 LYS A 106 126.177 6.267 -17.565 1.00 0.00 H new ATOM 0 HD3 LYS A 106 126.203 7.995 -17.273 1.00 0.00 H new ATOM 0 HE2 LYS A 106 128.671 6.399 -18.127 1.00 0.00 H new ATOM 0 HE3 LYS A 106 127.622 7.227 -19.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 129.374 8.712 -18.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 128.013 9.296 -17.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 129.219 8.443 -17.063 1.00 0.00 H new ATOM 1639 N ALA A 107 126.483 8.564 -12.425 1.00 0.00 N ATOM 1640 CA ALA A 107 126.939 9.846 -11.881 1.00 0.00 C ATOM 1641 C ALA A 107 127.743 9.699 -10.580 1.00 0.00 C ATOM 1642 O ALA A 107 128.173 10.699 -10.005 1.00 0.00 O ATOM 1643 CB ALA A 107 125.730 10.748 -11.623 1.00 0.00 C ATOM 0 H ALA A 107 125.481 8.400 -12.327 1.00 0.00 H new ATOM 0 HA ALA A 107 127.605 10.285 -12.624 1.00 0.00 H new ATOM 0 HB1 ALA A 107 126.068 11.702 -11.218 1.00 0.00 H new ATOM 0 HB2 ALA A 107 125.197 10.919 -12.558 1.00 0.00 H new ATOM 0 HB3 ALA A 107 125.063 10.266 -10.908 1.00 0.00 H new ATOM 1649 N GLY A 108 127.950 8.468 -10.113 1.00 0.00 N ATOM 1650 CA GLY A 108 128.743 8.227 -8.912 1.00 0.00 C ATOM 1651 C GLY A 108 127.973 8.493 -7.619 1.00 0.00 C ATOM 1652 O GLY A 108 128.584 8.758 -6.582 1.00 0.00 O ATOM 0 H GLY A 108 127.579 7.624 -10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 108 129.090 7.194 -8.915 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.629 8.861 -8.936 1.00 0.00 H new ATOM 1656 N HIS A 109 126.642 8.427 -7.672 1.00 0.00 N ATOM 1657 CA HIS A 109 125.846 8.512 -6.453 1.00 0.00 C ATOM 1658 C HIS A 109 125.777 7.129 -5.794 1.00 0.00 C ATOM 1659 O HIS A 109 125.702 6.128 -6.509 1.00 0.00 O ATOM 1660 CB HIS A 109 124.435 9.007 -6.782 1.00 0.00 C ATOM 1661 CG HIS A 109 124.321 10.506 -6.815 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.970 11.318 -5.899 1.00 0.00 N ATOM 1663 CD2 HIS A 109 123.635 11.357 -7.649 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.666 12.593 -6.199 1.00 0.00 C ATOM 1665 NE2 HIS A 109 123.856 12.675 -7.257 1.00 0.00 N ATOM 0 H HIS A 109 126.103 8.317 -8.531 1.00 0.00 H new ATOM 0 HA HIS A 109 126.312 9.217 -5.765 1.00 0.00 H new ATOM 0 HB2 HIS A 109 124.133 8.606 -7.750 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.738 8.613 -6.042 1.00 0.00 H new ATOM 0 HD2 HIS A 109 123.019 11.050 -8.481 1.00 0.00 H new ATOM 0 HE1 HIS A 109 125.033 13.448 -5.650 1.00 0.00 H new ATOM 0 HE2 HIS A 109 123.480 13.521 -7.686 1.00 0.00 H new ATOM 1673 N PRO A 110 125.799 7.031 -4.480 1.00 0.00 N ATOM 1674 CA PRO A 110 125.789 5.697 -3.800 1.00 0.00 C ATOM 1675 C PRO A 110 124.437 4.993 -3.951 1.00 0.00 C ATOM 1676 O PRO A 110 123.426 5.666 -4.123 1.00 0.00 O ATOM 1677 CB PRO A 110 126.075 6.020 -2.332 1.00 0.00 C ATOM 1678 CG PRO A 110 125.613 7.423 -2.142 1.00 0.00 C ATOM 1679 CD PRO A 110 125.799 8.125 -3.487 1.00 0.00 C ATOM 0 HA PRO A 110 126.521 5.015 -4.232 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.544 5.338 -1.668 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.137 5.922 -2.107 1.00 0.00 H new ATOM 0 HG2 PRO A 110 124.568 7.449 -1.832 1.00 0.00 H new ATOM 0 HG3 PRO A 110 126.190 7.919 -1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 110 124.994 8.835 -3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 110 126.733 8.687 -3.516 1.00 0.00 H new ATOM 1687 N PRO A 111 124.384 3.677 -3.921 1.00 0.00 N ATOM 1688 CA PRO A 111 123.086 2.945 -4.050 1.00 0.00 C ATOM 1689 C PRO A 111 122.275 2.947 -2.753 1.00 0.00 C ATOM 1690 O PRO A 111 122.838 3.063 -1.664 1.00 0.00 O ATOM 1691 CB PRO A 111 123.501 1.526 -4.441 1.00 0.00 C ATOM 1692 CG PRO A 111 124.884 1.344 -3.905 1.00 0.00 C ATOM 1693 CD PRO A 111 125.512 2.732 -3.785 1.00 0.00 C ATOM 0 HA PRO A 111 122.429 3.416 -4.781 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.818 0.789 -4.019 1.00 0.00 H new ATOM 0 HB3 PRO A 111 123.481 1.397 -5.523 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.858 0.849 -2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 111 125.473 0.712 -4.569 1.00 0.00 H new ATOM 0 HD2 PRO A 111 126.016 2.855 -2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 111 126.259 2.895 -4.562 1.00 0.00 H new ATOM 1701 N ILE A 112 120.952 2.831 -2.875 1.00 0.00 N ATOM 1702 CA ILE A 112 120.081 2.770 -1.697 1.00 0.00 C ATOM 1703 C ILE A 112 120.353 1.516 -0.851 1.00 0.00 C ATOM 1704 O ILE A 112 120.003 1.502 0.327 1.00 0.00 O ATOM 1705 CB ILE A 112 118.594 2.843 -2.120 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.321 4.218 -2.743 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.651 2.670 -0.913 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.898 4.285 -3.312 1.00 0.00 C ATOM 0 H ILE A 112 120.462 2.778 -3.768 1.00 0.00 H new ATOM 0 HA ILE A 112 120.306 3.634 -1.072 1.00 0.00 H new ATOM 0 HB ILE A 112 118.407 2.038 -2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.454 4.996 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 112 119.044 4.413 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.616 2.727 -1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.829 1.700 -0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.841 3.460 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.727 5.269 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.777 3.521 -4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.178 4.113 -2.512 1.00 0.00 H new ATOM 1720 N THR A 113 120.993 0.489 -1.412 1.00 0.00 N ATOM 1721 CA THR A 113 121.102 -0.797 -0.724 1.00 0.00 C ATOM 1722 C THR A 113 121.522 -0.721 0.755 1.00 0.00 C ATOM 1723 O THR A 113 120.958 -1.492 1.534 1.00 0.00 O ATOM 1724 CB THR A 113 121.986 -1.794 -1.491 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.189 -2.949 -0.690 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.342 -1.188 -1.845 1.00 0.00 C ATOM 0 H THR A 113 121.438 0.521 -2.329 1.00 0.00 H new ATOM 0 HA THR A 113 120.077 -1.168 -0.713 1.00 0.00 H new ATOM 0 HB THR A 113 121.477 -2.053 -2.419 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.751 -3.589 -1.175 1.00 0.00 H new ATOM 0 HG21 THR A 113 123.939 -1.922 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.195 -0.308 -2.471 1.00 0.00 H new ATOM 0 HG23 THR A 113 123.862 -0.901 -0.931 1.00 0.00 H new ATOM 1734 N PRO A 114 122.402 0.161 1.212 1.00 0.00 N ATOM 1735 CA PRO A 114 122.818 0.138 2.656 1.00 0.00 C ATOM 1736 C PRO A 114 121.625 0.288 3.601 1.00 0.00 C ATOM 1737 O PRO A 114 121.650 -0.216 4.724 1.00 0.00 O ATOM 1738 CB PRO A 114 123.799 1.304 2.810 1.00 0.00 C ATOM 1739 CG PRO A 114 124.249 1.615 1.425 1.00 0.00 C ATOM 1740 CD PRO A 114 123.061 1.291 0.526 1.00 0.00 C ATOM 0 HA PRO A 114 123.272 -0.817 2.921 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.318 2.166 3.272 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.641 1.030 3.446 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.537 2.662 1.332 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.120 1.020 1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.390 2.144 0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.382 1.017 -0.479 1.00 0.00 H new ATOM 1748 N ILE A 115 120.583 0.978 3.144 1.00 0.00 N ATOM 1749 CA ILE A 115 119.378 1.179 3.954 1.00 0.00 C ATOM 1750 C ILE A 115 118.241 0.210 3.610 1.00 0.00 C ATOM 1751 O ILE A 115 117.171 0.320 4.205 1.00 0.00 O ATOM 1752 CB ILE A 115 118.859 2.623 3.833 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.769 3.059 2.360 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.784 3.573 4.597 1.00 0.00 C ATOM 1755 CD1 ILE A 115 118.049 4.410 2.229 1.00 0.00 C ATOM 0 H ILE A 115 120.546 1.408 2.220 1.00 0.00 H new ATOM 0 HA ILE A 115 119.686 0.976 4.980 1.00 0.00 H new ATOM 0 HB ILE A 115 117.858 2.662 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.771 3.134 1.937 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.236 2.302 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.412 4.594 4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.811 3.287 5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.789 3.516 4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.999 4.695 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 115 117.039 4.325 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.597 5.170 2.785 1.00 0.00 H new ATOM 1767 N ARG A 116 118.444 -0.726 2.676 1.00 0.00 N ATOM 1768 CA ARG A 116 117.361 -1.635 2.294 1.00 0.00 C ATOM 1769 C ARG A 116 117.133 -2.679 3.394 1.00 0.00 C ATOM 1770 O ARG A 116 118.081 -3.142 4.029 1.00 0.00 O ATOM 1771 CB ARG A 116 117.604 -2.209 0.869 1.00 0.00 C ATOM 1772 CG ARG A 116 118.004 -3.698 0.786 1.00 0.00 C ATOM 1773 CD ARG A 116 119.490 -3.866 1.103 1.00 0.00 C ATOM 1774 NE ARG A 116 119.888 -5.268 0.955 1.00 0.00 N ATOM 1775 CZ ARG A 116 121.148 -5.701 1.109 1.00 0.00 C ATOM 1776 NH1 ARG A 116 122.136 -4.890 1.407 1.00 0.00 N ATOM 1777 NH2 ARG A 116 121.402 -6.972 0.956 1.00 0.00 N ATOM 0 H ARG A 116 119.325 -0.872 2.182 1.00 0.00 H new ATOM 0 HA ARG A 116 116.418 -1.093 2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 116 116.695 -2.067 0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.386 -1.618 0.392 1.00 0.00 H new ATOM 0 HG2 ARG A 116 117.407 -4.282 1.487 1.00 0.00 H new ATOM 0 HG3 ARG A 116 117.792 -4.084 -0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 116 120.084 -3.240 0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 116 119.692 -3.529 2.120 1.00 0.00 H new ATOM 0 HE ARG A 116 119.168 -5.952 0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 116 121.958 -3.893 1.529 1.00 0.00 H new ATOM 0 HH12 ARG A 116 123.082 -5.257 1.516 1.00 0.00 H new ATOM 0 HH21 ARG A 116 120.648 -7.618 0.723 1.00 0.00 H new ATOM 0 HH22 ARG A 116 122.354 -7.319 1.069 1.00 0.00 H new ATOM 1791 N ALA A 117 115.871 -3.040 3.610 1.00 0.00 N ATOM 1792 CA ALA A 117 115.513 -3.949 4.694 1.00 0.00 C ATOM 1793 C ALA A 117 115.371 -5.385 4.204 1.00 0.00 C ATOM 1794 O ALA A 117 115.039 -5.628 3.046 1.00 0.00 O ATOM 1795 CB ALA A 117 114.180 -3.513 5.302 1.00 0.00 C ATOM 0 H ALA A 117 115.081 -2.718 3.050 1.00 0.00 H new ATOM 0 HA ALA A 117 116.312 -3.911 5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 117 113.911 -4.191 6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.272 -2.499 5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.405 -3.537 4.536 1.00 0.00 H new ATOM 1883 N ILE A 125 113.821 -6.724 0.439 1.00 0.00 N ATOM 1884 CA ILE A 125 112.662 -6.116 -0.203 1.00 0.00 C ATOM 1885 C ILE A 125 113.100 -5.249 -1.385 1.00 0.00 C ATOM 1886 O ILE A 125 114.032 -4.453 -1.277 1.00 0.00 O ATOM 1887 CB ILE A 125 111.896 -5.293 0.843 1.00 0.00 C ATOM 1888 CG1 ILE A 125 111.406 -6.218 1.966 1.00 0.00 C ATOM 1889 CG2 ILE A 125 110.681 -4.605 0.211 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.166 -5.407 3.241 1.00 0.00 C ATOM 0 HA ILE A 125 112.004 -6.890 -0.597 1.00 0.00 H new ATOM 0 HB ILE A 125 112.570 -4.535 1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 125 110.485 -6.716 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 125 112.144 -6.998 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.154 -4.028 0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.013 -3.939 -0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.011 -5.358 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 125 110.818 -6.070 4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.096 -4.929 3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 125 110.412 -4.643 3.050 1.00 0.00 H new ATOM 1902 N SER A 126 112.411 -5.420 -2.510 1.00 0.00 N ATOM 1903 CA SER A 126 112.747 -4.699 -3.736 1.00 0.00 C ATOM 1904 C SER A 126 112.368 -3.226 -3.645 1.00 0.00 C ATOM 1905 O SER A 126 111.330 -2.867 -3.089 1.00 0.00 O ATOM 1906 CB SER A 126 112.015 -5.333 -4.919 1.00 0.00 C ATOM 1907 OG SER A 126 112.405 -6.695 -5.033 1.00 0.00 O ATOM 0 H SER A 126 111.615 -6.052 -2.599 1.00 0.00 H new ATOM 0 HA SER A 126 113.826 -4.765 -3.877 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.937 -5.262 -4.776 1.00 0.00 H new ATOM 0 HB3 SER A 126 112.251 -4.796 -5.838 1.00 0.00 H new ATOM 0 HG SER A 126 111.937 -7.107 -5.789 1.00 0.00 H new ATOM 1913 N LEU A 127 113.230 -2.383 -4.202 1.00 0.00 N ATOM 1914 CA LEU A 127 112.923 -0.958 -4.344 1.00 0.00 C ATOM 1915 C LEU A 127 112.260 -0.639 -5.695 1.00 0.00 C ATOM 1916 O LEU A 127 112.084 0.530 -6.036 1.00 0.00 O ATOM 1917 CB LEU A 127 114.207 -0.130 -4.217 1.00 0.00 C ATOM 1918 CG LEU A 127 114.921 -0.444 -2.897 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.230 0.345 -2.829 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.033 -0.043 -1.717 1.00 0.00 C ATOM 0 H LEU A 127 114.144 -2.657 -4.562 1.00 0.00 H new ATOM 0 HA LEU A 127 112.222 -0.701 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.869 -0.345 -5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.968 0.932 -4.264 1.00 0.00 H new ATOM 0 HG LEU A 127 115.128 -1.513 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.740 0.124 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.869 0.062 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 127 116.015 1.412 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.546 -0.269 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 127 113.823 1.025 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.097 -0.600 -1.761 1.00 0.00 H new ATOM 1932 N GLY A 128 111.891 -1.661 -6.472 1.00 0.00 N ATOM 1933 CA GLY A 128 111.331 -1.446 -7.805 1.00 0.00 C ATOM 1934 C GLY A 128 110.201 -0.417 -7.801 1.00 0.00 C ATOM 1935 O GLY A 128 110.149 0.455 -8.669 1.00 0.00 O ATOM 0 H GLY A 128 111.970 -2.641 -6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 128 112.120 -1.113 -8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.956 -2.392 -8.196 1.00 0.00 H new ATOM 1939 N ALA A 129 109.313 -0.501 -6.816 1.00 0.00 N ATOM 1940 CA ALA A 129 108.171 0.408 -6.757 1.00 0.00 C ATOM 1941 C ALA A 129 108.637 1.857 -6.658 1.00 0.00 C ATOM 1942 O ALA A 129 108.164 2.727 -7.392 1.00 0.00 O ATOM 1943 CB ALA A 129 107.295 0.067 -5.551 1.00 0.00 C ATOM 0 H ALA A 129 109.359 -1.180 -6.056 1.00 0.00 H new ATOM 0 HA ALA A 129 107.592 0.290 -7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.446 0.749 -5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.934 -0.957 -5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.880 0.166 -4.637 1.00 0.00 H new ATOM 1949 N LEU A 130 109.592 2.108 -5.770 1.00 0.00 N ATOM 1950 CA LEU A 130 110.096 3.462 -5.573 1.00 0.00 C ATOM 1951 C LEU A 130 110.667 4.014 -6.877 1.00 0.00 C ATOM 1952 O LEU A 130 110.431 5.168 -7.235 1.00 0.00 O ATOM 1953 CB LEU A 130 111.179 3.451 -4.493 1.00 0.00 C ATOM 1954 CG LEU A 130 111.620 4.883 -4.189 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.482 5.634 -3.497 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.840 4.849 -3.265 1.00 0.00 C ATOM 0 H LEU A 130 110.029 1.400 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 130 109.273 4.103 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.798 2.978 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 130 112.032 2.861 -4.827 1.00 0.00 H new ATOM 0 HG LEU A 130 111.876 5.390 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.798 6.655 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.610 5.655 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.226 5.129 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.158 5.868 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.579 4.342 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.653 4.313 -3.755 1.00 0.00 H new ATOM 1968 N LEU A 131 111.394 3.171 -7.601 1.00 0.00 N ATOM 1969 CA LEU A 131 112.002 3.590 -8.858 1.00 0.00 C ATOM 1970 C LEU A 131 110.932 4.051 -9.840 1.00 0.00 C ATOM 1971 O LEU A 131 111.066 5.101 -10.465 1.00 0.00 O ATOM 1972 CB LEU A 131 112.795 2.422 -9.458 1.00 0.00 C ATOM 1973 CG LEU A 131 113.499 2.852 -10.750 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.653 3.799 -10.419 1.00 0.00 C ATOM 1975 CD2 LEU A 131 114.050 1.615 -11.461 1.00 0.00 C ATOM 0 H LEU A 131 111.576 2.201 -7.342 1.00 0.00 H new ATOM 0 HA LEU A 131 112.676 4.425 -8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.532 2.068 -8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 131 112.124 1.588 -9.664 1.00 0.00 H new ATOM 0 HG LEU A 131 112.786 3.363 -11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 131 115.151 4.102 -11.340 1.00 0.00 H new ATOM 0 HD12 LEU A 131 114.265 4.681 -9.909 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.367 3.290 -9.772 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.551 1.917 -12.380 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.761 1.108 -10.810 1.00 0.00 H new ATOM 0 HD23 LEU A 131 113.230 0.938 -11.700 1.00 0.00 H new ATOM 1987 N SER A 132 109.856 3.280 -9.947 1.00 0.00 N ATOM 1988 CA SER A 132 108.806 3.595 -10.910 1.00 0.00 C ATOM 1989 C SER A 132 108.215 4.971 -10.631 1.00 0.00 C ATOM 1990 O SER A 132 107.984 5.754 -11.553 1.00 0.00 O ATOM 1991 CB SER A 132 107.702 2.539 -10.846 1.00 0.00 C ATOM 1992 OG SER A 132 107.010 2.661 -9.611 1.00 0.00 O ATOM 0 H SER A 132 109.688 2.444 -9.388 1.00 0.00 H new ATOM 0 HA SER A 132 109.246 3.599 -11.907 1.00 0.00 H new ATOM 0 HB2 SER A 132 107.010 2.668 -11.678 1.00 0.00 H new ATOM 0 HB3 SER A 132 108.131 1.541 -10.939 1.00 0.00 H new ATOM 0 HG SER A 132 107.612 2.428 -8.874 1.00 0.00 H new ATOM 1998 N THR A 133 108.013 5.281 -9.355 1.00 0.00 N ATOM 1999 CA THR A 133 107.421 6.561 -8.984 1.00 0.00 C ATOM 2000 C THR A 133 108.302 7.716 -9.445 1.00 0.00 C ATOM 2001 O THR A 133 107.824 8.665 -10.071 1.00 0.00 O ATOM 2002 CB THR A 133 107.232 6.630 -7.467 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.494 5.497 -7.031 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.473 7.906 -7.099 1.00 0.00 C ATOM 0 H THR A 133 108.247 4.673 -8.570 1.00 0.00 H new ATOM 0 HA THR A 133 106.451 6.645 -9.474 1.00 0.00 H new ATOM 0 HB THR A 133 108.208 6.639 -6.982 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.374 5.539 -6.059 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.340 7.952 -6.018 1.00 0.00 H new ATOM 0 HG22 THR A 133 107.040 8.775 -7.432 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.497 7.902 -7.584 1.00 0.00 H new ATOM 2012 N THR A 134 109.599 7.618 -9.164 1.00 0.00 N ATOM 2013 CA THR A 134 110.516 8.698 -9.516 1.00 0.00 C ATOM 2014 C THR A 134 110.562 8.900 -11.028 1.00 0.00 C ATOM 2015 O THR A 134 110.580 10.033 -11.508 1.00 0.00 O ATOM 2016 CB THR A 134 111.918 8.403 -8.979 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.826 8.072 -7.601 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.799 9.644 -9.148 1.00 0.00 C ATOM 0 H THR A 134 110.032 6.818 -8.703 1.00 0.00 H new ATOM 0 HA THR A 134 110.150 9.617 -9.058 1.00 0.00 H new ATOM 0 HB THR A 134 112.357 7.570 -9.529 1.00 0.00 H new ATOM 0 HG1 THR A 134 110.980 8.409 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.798 9.436 -8.766 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.862 9.905 -10.205 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.365 10.476 -8.594 1.00 0.00 H new ATOM 2026 N LEU A 135 110.559 7.803 -11.781 1.00 0.00 N ATOM 2027 CA LEU A 135 110.597 7.891 -13.237 1.00 0.00 C ATOM 2028 C LEU A 135 109.387 8.656 -13.764 1.00 0.00 C ATOM 2029 O LEU A 135 109.505 9.447 -14.700 1.00 0.00 O ATOM 2030 CB LEU A 135 110.627 6.490 -13.851 1.00 0.00 C ATOM 2031 CG LEU A 135 111.929 5.784 -13.468 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.858 4.316 -13.894 1.00 0.00 C ATOM 2033 CD2 LEU A 135 113.104 6.458 -14.181 1.00 0.00 C ATOM 0 H LEU A 135 110.531 6.853 -11.412 1.00 0.00 H new ATOM 0 HA LEU A 135 111.502 8.428 -13.521 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.772 5.911 -13.501 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.544 6.557 -14.936 1.00 0.00 H new ATOM 0 HG LEU A 135 112.070 5.846 -12.389 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.786 3.813 -13.621 1.00 0.00 H new ATOM 0 HD12 LEU A 135 111.021 3.831 -13.391 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.717 4.257 -14.973 1.00 0.00 H new ATOM 0 HD21 LEU A 135 114.032 5.955 -13.908 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.960 6.394 -15.260 1.00 0.00 H new ATOM 0 HD23 LEU A 135 113.158 7.505 -13.883 1.00 0.00 H new ATOM 2045 N ASN A 136 108.224 8.415 -13.163 1.00 0.00 N ATOM 2046 CA ASN A 136 107.013 9.118 -13.571 1.00 0.00 C ATOM 2047 C ASN A 136 107.190 10.625 -13.404 1.00 0.00 C ATOM 2048 O ASN A 136 106.783 11.407 -14.263 1.00 0.00 O ATOM 2049 CB ASN A 136 105.826 8.645 -12.728 1.00 0.00 C ATOM 2050 CG ASN A 136 105.548 7.167 -12.988 1.00 0.00 C ATOM 2051 OD1 ASN A 136 105.920 6.635 -14.034 1.00 0.00 O ATOM 2052 ND2 ASN A 136 104.909 6.468 -12.091 1.00 0.00 N ATOM 0 H ASN A 136 108.096 7.748 -12.402 1.00 0.00 H new ATOM 0 HA ASN A 136 106.822 8.899 -14.621 1.00 0.00 H new ATOM 0 HB2 ASN A 136 106.037 8.802 -11.670 1.00 0.00 H new ATOM 0 HB3 ASN A 136 104.942 9.236 -12.968 1.00 0.00 H new ATOM 0 HD21 ASN A 136 104.717 5.480 -12.256 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.601 6.910 -11.225 1.00 0.00 H new ATOM 2059 N LEU A 137 107.801 11.021 -12.292 1.00 0.00 N ATOM 2060 CA LEU A 137 108.066 12.435 -12.039 1.00 0.00 C ATOM 2061 C LEU A 137 108.995 13.019 -13.101 1.00 0.00 C ATOM 2062 O LEU A 137 108.820 14.157 -13.533 1.00 0.00 O ATOM 2063 CB LEU A 137 108.700 12.610 -10.655 1.00 0.00 C ATOM 2064 CG LEU A 137 107.787 12.016 -9.579 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.473 12.127 -8.215 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.461 12.783 -9.536 1.00 0.00 C ATOM 0 H LEU A 137 108.120 10.390 -11.557 1.00 0.00 H new ATOM 0 HA LEU A 137 107.116 12.968 -12.078 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.673 12.120 -10.628 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.870 13.668 -10.455 1.00 0.00 H new ATOM 0 HG LEU A 137 107.592 10.970 -9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.825 11.705 -7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.415 11.580 -8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.667 13.176 -7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.817 12.354 -8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.654 13.830 -9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.967 12.711 -10.505 1.00 0.00 H new ATOM 2078 N CYS A 138 109.982 12.232 -13.518 1.00 0.00 N ATOM 2079 CA CYS A 138 110.910 12.666 -14.561 1.00 0.00 C ATOM 2080 C CYS A 138 110.185 12.981 -15.876 1.00 0.00 C ATOM 2081 O CYS A 138 110.682 13.767 -16.684 1.00 0.00 O ATOM 2082 CB CYS A 138 111.957 11.574 -14.809 1.00 0.00 C ATOM 2083 SG CYS A 138 113.334 11.736 -13.641 1.00 0.00 S ATOM 0 H CYS A 138 110.161 11.296 -13.154 1.00 0.00 H new ATOM 0 HA CYS A 138 111.392 13.580 -14.214 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.498 10.591 -14.704 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.329 11.645 -15.831 1.00 0.00 H new ATOM 2088 N GLY A 139 109.019 12.375 -16.098 1.00 0.00 N ATOM 2089 CA GLY A 139 108.251 12.629 -17.316 1.00 0.00 C ATOM 2090 C GLY A 139 108.641 11.696 -18.466 1.00 0.00 C ATOM 2091 O GLY A 139 108.423 12.027 -19.631 1.00 0.00 O ATOM 0 H GLY A 139 108.588 11.710 -15.456 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.189 12.511 -17.102 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.401 13.663 -17.626 1.00 0.00 H new