USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 511 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 SER OG : rot -58:sc= 1.17 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.866 K(o=2,f=-3.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.787 K(o=-0.79,f=-2.7!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -74:sc= 0.492 USER MOD Single : A 77 HIS : no HD1:sc= -1.96 K(o=-2,f=-4.1!) 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 166:sc= 0.0292 USER MOD Single : A 101 ASN : amide:sc= -1.66 K(o=-1.7,f=-6.3!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.047) 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 77:sc= 0.296 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 80:sc= -0.386 USER MOD Single : A 136 ASN : amide:sc=-0.00577 K(o=-0.0058,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 919 N LYS A 59 108.698 16.090 -8.612 1.00 0.00 N ATOM 920 CA LYS A 59 109.039 15.716 -7.238 1.00 0.00 C ATOM 921 C LYS A 59 107.809 15.295 -6.431 1.00 0.00 C ATOM 922 O LYS A 59 106.697 15.759 -6.684 1.00 0.00 O ATOM 923 CB LYS A 59 109.706 16.895 -6.523 1.00 0.00 C ATOM 924 CG LYS A 59 111.025 17.259 -7.210 1.00 0.00 C ATOM 925 CD LYS A 59 111.737 18.342 -6.397 1.00 0.00 C ATOM 926 CE LYS A 59 112.993 18.797 -7.141 1.00 0.00 C ATOM 927 NZ LYS A 59 112.624 19.818 -8.162 1.00 0.00 N ATOM 0 HA LYS A 59 109.720 14.867 -7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 59 109.037 17.756 -6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 59 109.891 16.639 -5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 59 111.659 16.377 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 59 110.835 17.614 -8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.070 19.189 -6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 59 112.004 17.956 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 59 113.714 19.214 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 59 113.473 17.944 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 113.478 20.127 -8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.951 19.405 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 112.185 20.635 -7.693 1.00 0.00 H new ATOM 941 N GLN A 60 108.025 14.409 -5.459 1.00 0.00 N ATOM 942 CA GLN A 60 106.997 14.075 -4.472 1.00 0.00 C ATOM 943 C GLN A 60 107.629 13.691 -3.138 1.00 0.00 C ATOM 944 O GLN A 60 108.742 13.169 -3.096 1.00 0.00 O ATOM 945 CB GLN A 60 106.115 12.911 -4.932 1.00 0.00 C ATOM 946 CG GLN A 60 105.189 13.362 -6.060 1.00 0.00 C ATOM 947 CD GLN A 60 104.174 12.264 -6.367 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.478 11.332 -7.112 1.00 0.00 O ATOM 949 NE2 GLN A 60 102.984 12.301 -5.825 1.00 0.00 N ATOM 0 H GLN A 60 108.905 13.908 -5.333 1.00 0.00 H new ATOM 0 HA GLN A 60 106.381 14.967 -4.358 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.739 12.085 -5.273 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.525 12.540 -4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.672 14.278 -5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.772 13.590 -6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.729 13.072 -5.207 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.311 11.559 -6.020 1.00 0.00 H new ATOM 958 N ASP A 61 106.906 13.939 -2.053 1.00 0.00 N ATOM 959 CA ASP A 61 107.337 13.475 -0.738 1.00 0.00 C ATOM 960 C ASP A 61 106.692 12.126 -0.441 1.00 0.00 C ATOM 961 O ASP A 61 105.473 11.984 -0.534 1.00 0.00 O ATOM 962 CB ASP A 61 106.935 14.489 0.337 1.00 0.00 C ATOM 963 CG ASP A 61 107.634 15.826 0.102 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.738 15.819 -0.417 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.052 16.841 0.448 1.00 0.00 O ATOM 0 H ASP A 61 106.026 14.454 -2.055 1.00 0.00 H new ATOM 0 HA ASP A 61 108.422 13.370 -0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.854 14.630 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.196 14.104 1.323 1.00 0.00 H new ATOM 970 N ILE A 62 107.503 11.131 -0.088 1.00 0.00 N ATOM 971 CA ILE A 62 106.988 9.780 0.143 1.00 0.00 C ATOM 972 C ILE A 62 107.452 9.252 1.503 1.00 0.00 C ATOM 973 O ILE A 62 108.563 9.554 1.936 1.00 0.00 O ATOM 974 CB ILE A 62 107.439 8.874 -1.013 1.00 0.00 C ATOM 975 CG1 ILE A 62 106.685 7.544 -0.944 1.00 0.00 C ATOM 976 CG2 ILE A 62 108.951 8.620 -0.972 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.249 7.742 -1.445 1.00 0.00 C ATOM 0 H ILE A 62 108.510 11.231 0.044 1.00 0.00 H new ATOM 0 HA ILE A 62 105.898 9.794 0.168 1.00 0.00 H new ATOM 0 HB ILE A 62 107.212 9.380 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.193 6.794 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.676 7.172 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.234 7.976 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.482 9.569 -1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.213 8.135 -0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 62 104.713 6.794 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 62 104.744 8.478 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.269 8.094 -2.476 1.00 0.00 H new ATOM 989 N SER A 63 106.614 8.456 2.168 1.00 0.00 N ATOM 990 CA SER A 63 106.933 8.013 3.524 1.00 0.00 C ATOM 991 C SER A 63 106.335 6.646 3.848 1.00 0.00 C ATOM 992 O SER A 63 105.391 6.182 3.203 1.00 0.00 O ATOM 993 CB SER A 63 106.425 9.040 4.536 1.00 0.00 C ATOM 994 OG SER A 63 105.006 8.983 4.590 1.00 0.00 O ATOM 0 H SER A 63 105.728 8.111 1.799 1.00 0.00 H new ATOM 0 HA SER A 63 108.017 7.921 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.846 8.837 5.520 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.750 10.041 4.250 1.00 0.00 H new ATOM 0 HG SER A 63 104.638 9.150 3.697 1.00 0.00 H new ATOM 1000 N GLU A 64 106.887 6.016 4.879 1.00 0.00 N ATOM 1001 CA GLU A 64 106.427 4.703 5.312 1.00 0.00 C ATOM 1002 C GLU A 64 104.931 4.708 5.626 1.00 0.00 C ATOM 1003 O GLU A 64 104.239 3.727 5.367 1.00 0.00 O ATOM 1004 CB GLU A 64 107.214 4.260 6.549 1.00 0.00 C ATOM 1005 CG GLU A 64 106.987 5.242 7.707 1.00 0.00 C ATOM 1006 CD GLU A 64 107.835 4.887 8.934 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.504 3.863 8.925 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.795 5.653 9.882 1.00 0.00 O ATOM 0 H GLU A 64 107.656 6.395 5.432 1.00 0.00 H new ATOM 0 HA GLU A 64 106.597 4.001 4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.903 3.259 6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.277 4.206 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.230 6.253 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.932 5.241 7.982 1.00 0.00 H new ATOM 1015 N ALA A 65 104.431 5.818 6.160 1.00 0.00 N ATOM 1016 CA ALA A 65 103.032 5.889 6.569 1.00 0.00 C ATOM 1017 C ALA A 65 102.102 5.604 5.394 1.00 0.00 C ATOM 1018 O ALA A 65 101.112 4.887 5.537 1.00 0.00 O ATOM 1019 CB ALA A 65 102.722 7.277 7.136 1.00 0.00 C ATOM 0 H ALA A 65 104.966 6.672 6.318 1.00 0.00 H new ATOM 0 HA ALA A 65 102.867 5.132 7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.676 7.321 7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.358 7.467 8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.911 8.032 6.373 1.00 0.00 H new ATOM 1025 N ASN A 66 102.422 6.168 4.234 1.00 0.00 N ATOM 1026 CA ASN A 66 101.554 6.027 3.068 1.00 0.00 C ATOM 1027 C ASN A 66 101.623 4.610 2.502 1.00 0.00 C ATOM 1028 O ASN A 66 100.596 4.002 2.202 1.00 0.00 O ATOM 1029 CB ASN A 66 101.957 7.015 1.967 1.00 0.00 C ATOM 1030 CG ASN A 66 102.101 8.432 2.518 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.204 8.857 2.859 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.048 9.195 2.614 1.00 0.00 N ATOM 0 H ASN A 66 103.265 6.720 4.076 1.00 0.00 H new ATOM 0 HA ASN A 66 100.536 6.238 3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 66 102.899 6.699 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.208 7.005 1.175 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.138 10.146 2.972 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.134 8.841 2.331 1.00 0.00 H new ATOM 1039 N LEU A 67 102.838 4.094 2.351 1.00 0.00 N ATOM 1040 CA LEU A 67 103.029 2.777 1.743 1.00 0.00 C ATOM 1041 C LEU A 67 102.600 1.631 2.659 1.00 0.00 C ATOM 1042 O LEU A 67 102.248 0.555 2.175 1.00 0.00 O ATOM 1043 CB LEU A 67 104.492 2.595 1.331 1.00 0.00 C ATOM 1044 CG LEU A 67 104.743 3.332 0.013 1.00 0.00 C ATOM 1045 CD1 LEU A 67 104.838 4.836 0.281 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.044 2.836 -0.633 1.00 0.00 C ATOM 0 H LEU A 67 103.699 4.560 2.637 1.00 0.00 H new ATOM 0 HA LEU A 67 102.387 2.740 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.151 2.982 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.720 1.535 1.217 1.00 0.00 H new ATOM 0 HG LEU A 67 103.916 3.135 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.017 5.362 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 67 103.905 5.187 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.660 5.032 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.211 3.368 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.879 3.020 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 67 105.967 1.767 -0.832 1.00 0.00 H new ATOM 1058 N ALA A 68 102.633 1.848 3.974 1.00 0.00 N ATOM 1059 CA ALA A 68 102.307 0.795 4.940 1.00 0.00 C ATOM 1060 C ALA A 68 103.419 -0.268 4.919 1.00 0.00 C ATOM 1061 O ALA A 68 104.573 0.082 4.679 1.00 0.00 O ATOM 1062 CB ALA A 68 100.912 0.215 4.641 1.00 0.00 C ATOM 0 H ALA A 68 102.882 2.743 4.396 1.00 0.00 H new ATOM 0 HA ALA A 68 102.261 1.202 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.680 -0.566 5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.166 1.007 4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 68 100.901 -0.207 3.636 1.00 0.00 H new ATOM 1068 N TYR A 69 103.106 -1.550 5.134 1.00 0.00 N ATOM 1069 CA TYR A 69 104.140 -2.587 5.179 1.00 0.00 C ATOM 1070 C TYR A 69 105.015 -2.578 3.922 1.00 0.00 C ATOM 1071 O TYR A 69 106.182 -2.971 3.969 1.00 0.00 O ATOM 1072 CB TYR A 69 103.485 -3.961 5.330 1.00 0.00 C ATOM 1073 CG TYR A 69 104.478 -5.083 5.516 1.00 0.00 C ATOM 1074 CD1 TYR A 69 104.977 -5.372 6.791 1.00 0.00 C ATOM 1075 CD2 TYR A 69 104.901 -5.834 4.412 1.00 0.00 C ATOM 1076 CE1 TYR A 69 105.899 -6.412 6.965 1.00 0.00 C ATOM 1077 CE2 TYR A 69 105.823 -6.874 4.585 1.00 0.00 C ATOM 1078 CZ TYR A 69 106.321 -7.162 5.861 1.00 0.00 C ATOM 1079 OH TYR A 69 107.230 -8.187 6.031 1.00 0.00 O ATOM 0 H TYR A 69 102.156 -1.891 5.278 1.00 0.00 H new ATOM 0 HA TYR A 69 104.780 -2.377 6.036 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.808 -3.940 6.184 1.00 0.00 H new ATOM 0 HB3 TYR A 69 102.879 -4.165 4.447 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.651 -4.792 7.642 1.00 0.00 H new ATOM 0 HD2 TYR A 69 104.516 -5.611 3.428 1.00 0.00 H new ATOM 0 HE1 TYR A 69 106.284 -6.635 7.949 1.00 0.00 H new ATOM 0 HE2 TYR A 69 106.150 -7.454 3.734 1.00 0.00 H new ATOM 0 HH TYR A 69 107.416 -8.607 5.165 1.00 0.00 H new ATOM 1089 N LEU A 70 104.453 -2.133 2.802 1.00 0.00 N ATOM 1090 CA LEU A 70 105.172 -2.114 1.527 1.00 0.00 C ATOM 1091 C LEU A 70 106.508 -1.370 1.632 1.00 0.00 C ATOM 1092 O LEU A 70 107.441 -1.657 0.879 1.00 0.00 O ATOM 1093 CB LEU A 70 104.294 -1.458 0.458 1.00 0.00 C ATOM 1094 CG LEU A 70 104.967 -1.571 -0.912 1.00 0.00 C ATOM 1095 CD1 LEU A 70 104.972 -3.034 -1.360 1.00 0.00 C ATOM 1096 CD2 LEU A 70 104.188 -0.732 -1.927 1.00 0.00 C ATOM 0 H LEU A 70 103.498 -1.779 2.749 1.00 0.00 H new ATOM 0 HA LEU A 70 105.393 -3.145 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.316 -1.939 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 70 104.127 -0.410 0.705 1.00 0.00 H new ATOM 0 HG LEU A 70 105.993 -1.209 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 70 105.451 -3.114 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 70 105.522 -3.635 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 70 103.947 -3.397 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 70 104.664 -0.809 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 70 103.163 -1.098 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 70 104.181 0.310 -1.608 1.00 0.00 H new ATOM 1108 N TRP A 71 106.610 -0.429 2.568 1.00 0.00 N ATOM 1109 CA TRP A 71 107.808 0.394 2.699 1.00 0.00 C ATOM 1110 C TRP A 71 109.050 -0.495 2.872 1.00 0.00 C ATOM 1111 O TRP A 71 109.190 -1.132 3.918 1.00 0.00 O ATOM 1112 CB TRP A 71 107.664 1.286 3.932 1.00 0.00 C ATOM 1113 CG TRP A 71 108.656 2.404 3.983 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.644 2.521 4.898 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.774 3.560 3.103 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.349 3.683 4.647 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.858 4.355 3.546 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.052 3.992 1.979 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.213 5.539 2.892 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.406 5.178 1.319 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.483 5.950 1.774 1.00 0.00 C ATOM 0 H TRP A 71 105.878 -0.218 3.246 1.00 0.00 H new ATOM 0 HA TRP A 71 107.924 1.000 1.800 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.657 1.704 3.952 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.773 0.674 4.827 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.849 1.821 5.695 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.138 4.005 5.208 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.218 3.407 1.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.044 6.130 3.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.844 5.498 0.454 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.749 6.862 1.261 1.00 0.00 H new ATOM 1132 N PRO A 72 109.951 -0.564 1.911 1.00 0.00 N ATOM 1133 CA PRO A 72 111.111 -1.503 1.986 1.00 0.00 C ATOM 1134 C PRO A 72 112.351 -0.915 2.662 1.00 0.00 C ATOM 1135 O PRO A 72 113.292 -1.647 2.968 1.00 0.00 O ATOM 1136 CB PRO A 72 111.396 -1.796 0.515 1.00 0.00 C ATOM 1137 CG PRO A 72 111.067 -0.528 -0.197 1.00 0.00 C ATOM 1138 CD PRO A 72 110.013 0.197 0.646 1.00 0.00 C ATOM 0 HA PRO A 72 110.876 -2.376 2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.438 -2.076 0.362 1.00 0.00 H new ATOM 0 HB3 PRO A 72 110.787 -2.623 0.151 1.00 0.00 H new ATOM 0 HG2 PRO A 72 111.957 0.090 -0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 72 110.686 -0.735 -1.197 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.294 1.235 0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.045 0.209 0.144 1.00 0.00 H new ATOM 1146 N LEU A 73 112.375 0.401 2.861 1.00 0.00 N ATOM 1147 CA LEU A 73 113.559 1.057 3.413 1.00 0.00 C ATOM 1148 C LEU A 73 113.515 1.119 4.935 1.00 0.00 C ATOM 1149 O LEU A 73 112.451 1.267 5.537 1.00 0.00 O ATOM 1150 CB LEU A 73 113.671 2.482 2.871 1.00 0.00 C ATOM 1151 CG LEU A 73 113.710 2.468 1.343 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.725 3.912 0.843 1.00 0.00 C ATOM 1153 CD2 LEU A 73 114.974 1.747 0.864 1.00 0.00 C ATOM 0 H LEU A 73 111.598 1.028 2.651 1.00 0.00 H new ATOM 0 HA LEU A 73 114.423 0.465 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.824 3.076 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.572 2.956 3.260 1.00 0.00 H new ATOM 0 HG LEU A 73 112.836 1.946 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.753 3.919 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.827 4.425 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.606 4.423 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 73 114.998 1.739 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.855 2.266 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 73 114.970 0.722 1.234 1.00 0.00 H new ATOM 1165 N THR A 74 114.690 1.001 5.545 1.00 0.00 N ATOM 1166 CA THR A 74 114.826 1.156 6.988 1.00 0.00 C ATOM 1167 C THR A 74 114.593 2.608 7.397 1.00 0.00 C ATOM 1168 O THR A 74 114.009 2.868 8.450 1.00 0.00 O ATOM 1169 CB THR A 74 116.222 0.714 7.434 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.197 1.550 6.826 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.461 -0.740 7.022 1.00 0.00 C ATOM 0 H THR A 74 115.564 0.798 5.060 1.00 0.00 H new ATOM 0 HA THR A 74 114.077 0.530 7.473 1.00 0.00 H new ATOM 0 HB THR A 74 116.298 0.794 8.518 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.283 1.316 5.878 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.456 -1.050 7.342 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.713 -1.379 7.492 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.384 -0.828 5.938 1.00 0.00 H new ATOM 1179 N VAL A 75 115.052 3.553 6.571 1.00 0.00 N ATOM 1180 CA VAL A 75 114.776 4.960 6.837 1.00 0.00 C ATOM 1181 C VAL A 75 113.274 5.177 6.736 1.00 0.00 C ATOM 1182 O VAL A 75 112.649 4.760 5.766 1.00 0.00 O ATOM 1183 CB VAL A 75 115.519 5.877 5.858 1.00 0.00 C ATOM 1184 CG1 VAL A 75 117.022 5.785 6.120 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.239 5.467 4.408 1.00 0.00 C ATOM 0 H VAL A 75 115.604 3.372 5.732 1.00 0.00 H new ATOM 0 HA VAL A 75 115.129 5.213 7.837 1.00 0.00 H new ATOM 0 HB VAL A 75 115.170 6.899 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.553 6.436 5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.233 6.097 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.354 4.756 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.777 6.132 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.572 4.441 4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.169 5.536 4.210 1.00 0.00 H new ATOM 1195 N ASP A 76 112.691 5.802 7.751 1.00 0.00 N ATOM 1196 CA ASP A 76 111.238 5.855 7.858 1.00 0.00 C ATOM 1197 C ASP A 76 110.604 6.578 6.678 1.00 0.00 C ATOM 1198 O ASP A 76 109.496 6.232 6.269 1.00 0.00 O ATOM 1199 CB ASP A 76 110.830 6.535 9.166 1.00 0.00 C ATOM 1200 CG ASP A 76 111.275 5.703 10.367 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.336 4.490 10.242 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.552 6.293 11.398 1.00 0.00 O ATOM 0 H ASP A 76 113.194 6.274 8.503 1.00 0.00 H new ATOM 0 HA ASP A 76 110.873 4.828 7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.276 7.528 9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.749 6.669 9.190 1.00 0.00 H new ATOM 1207 N HIS A 77 111.284 7.590 6.149 1.00 0.00 N ATOM 1208 CA HIS A 77 110.746 8.324 5.011 1.00 0.00 C ATOM 1209 C HIS A 77 111.872 8.819 4.117 1.00 0.00 C ATOM 1210 O HIS A 77 113.047 8.612 4.414 1.00 0.00 O ATOM 1211 CB HIS A 77 109.890 9.499 5.490 1.00 0.00 C ATOM 1212 CG HIS A 77 110.599 10.426 6.439 1.00 0.00 C ATOM 1213 ND1 HIS A 77 111.106 9.995 7.655 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.874 11.770 6.374 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.655 11.060 8.266 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.541 12.168 7.528 1.00 0.00 N ATOM 0 H HIS A 77 112.191 7.916 6.482 1.00 0.00 H new ATOM 0 HA HIS A 77 110.116 7.649 4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.556 10.069 4.623 1.00 0.00 H new ATOM 0 HB3 HIS A 77 108.997 9.109 5.978 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.612 12.419 5.552 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.130 11.024 9.235 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.872 13.104 7.761 1.00 0.00 H new ATOM 1224 N GLY A 78 111.494 9.410 2.992 1.00 0.00 N ATOM 1225 CA GLY A 78 112.457 10.009 2.083 1.00 0.00 C ATOM 1226 C GLY A 78 111.728 10.783 0.993 1.00 0.00 C ATOM 1227 O GLY A 78 110.529 10.602 0.777 1.00 0.00 O ATOM 0 H GLY A 78 110.523 9.487 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.122 10.676 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.080 9.234 1.636 1.00 0.00 H new ATOM 1231 N THR A 79 112.449 11.670 0.323 1.00 0.00 N ATOM 1232 CA THR A 79 111.865 12.457 -0.757 1.00 0.00 C ATOM 1233 C THR A 79 112.401 11.978 -2.100 1.00 0.00 C ATOM 1234 O THR A 79 113.589 11.704 -2.235 1.00 0.00 O ATOM 1235 CB THR A 79 112.201 13.936 -0.561 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.049 14.273 0.811 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.233 14.774 -1.397 1.00 0.00 C ATOM 0 H THR A 79 113.434 11.863 0.505 1.00 0.00 H new ATOM 0 HA THR A 79 110.782 12.331 -0.743 1.00 0.00 H new ATOM 0 HB THR A 79 113.227 14.131 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.265 15.220 0.941 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.461 15.832 -1.267 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.336 14.508 -2.449 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.211 14.581 -1.072 1.00 0.00 H new ATOM 1245 N ILE A 80 111.524 11.875 -3.092 1.00 0.00 N ATOM 1246 CA ILE A 80 111.925 11.412 -4.420 1.00 0.00 C ATOM 1247 C ILE A 80 111.943 12.585 -5.392 1.00 0.00 C ATOM 1248 O ILE A 80 111.015 13.394 -5.414 1.00 0.00 O ATOM 1249 CB ILE A 80 110.973 10.315 -4.919 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.512 10.779 -4.838 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.157 9.068 -4.053 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.613 9.815 -5.615 1.00 0.00 C ATOM 0 H ILE A 80 110.534 12.104 -3.005 1.00 0.00 H new ATOM 0 HA ILE A 80 112.928 10.989 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 80 111.206 10.093 -5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.194 10.826 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.418 11.785 -5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.485 8.282 -4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.188 8.722 -4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 80 110.929 9.309 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.578 10.152 -5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 80 108.924 9.790 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.696 8.816 -5.188 1.00 0.00 H new ATOM 1264 N GLU A 81 113.018 12.692 -6.171 1.00 0.00 N ATOM 1265 CA GLU A 81 113.165 13.833 -7.069 1.00 0.00 C ATOM 1266 C GLU A 81 113.893 13.456 -8.354 1.00 0.00 C ATOM 1267 O GLU A 81 114.767 12.588 -8.367 1.00 0.00 O ATOM 1268 CB GLU A 81 113.948 14.946 -6.366 1.00 0.00 C ATOM 1269 CG GLU A 81 113.201 15.399 -5.105 1.00 0.00 C ATOM 1270 CD GLU A 81 113.899 16.582 -4.428 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.017 16.911 -4.799 1.00 0.00 O ATOM 1272 OE2 GLU A 81 113.296 17.151 -3.532 1.00 0.00 O ATOM 0 H GLU A 81 113.784 12.019 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 81 112.163 14.174 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 81 114.943 14.589 -6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 81 114.082 15.790 -7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 81 112.181 15.680 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 81 113.132 14.567 -4.404 1.00 0.00 H new ATOM 1279 N CYS A 82 113.509 14.121 -9.438 1.00 0.00 N ATOM 1280 CA CYS A 82 114.281 14.065 -10.676 1.00 0.00 C ATOM 1281 C CYS A 82 115.087 15.354 -10.810 1.00 0.00 C ATOM 1282 O CYS A 82 114.520 16.446 -10.851 1.00 0.00 O ATOM 1283 CB CYS A 82 113.354 13.912 -11.885 1.00 0.00 C ATOM 1284 SG CYS A 82 112.249 12.500 -11.635 1.00 0.00 S ATOM 0 H CYS A 82 112.672 14.703 -9.486 1.00 0.00 H new ATOM 0 HA CYS A 82 114.948 13.203 -10.644 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.770 14.822 -12.025 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.943 13.769 -12.791 1.00 0.00 H new ATOM 1359 N ALA A 88 117.394 9.959 -11.926 1.00 0.00 N ATOM 1360 CA ALA A 88 116.403 9.768 -10.871 1.00 0.00 C ATOM 1361 C ALA A 88 117.071 9.314 -9.577 1.00 0.00 C ATOM 1362 O ALA A 88 117.726 8.269 -9.540 1.00 0.00 O ATOM 1363 CB ALA A 88 115.373 8.726 -11.312 1.00 0.00 C ATOM 0 HA ALA A 88 115.905 10.720 -10.688 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.635 8.586 -10.522 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.874 9.069 -12.218 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.875 7.779 -11.511 1.00 0.00 H new ATOM 1369 N VAL A 89 116.871 10.079 -8.504 1.00 0.00 N ATOM 1370 CA VAL A 89 117.521 9.778 -7.229 1.00 0.00 C ATOM 1371 C VAL A 89 116.542 9.853 -6.057 1.00 0.00 C ATOM 1372 O VAL A 89 115.498 10.504 -6.129 1.00 0.00 O ATOM 1373 CB VAL A 89 118.669 10.759 -6.983 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.717 10.606 -8.085 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.132 12.193 -6.990 1.00 0.00 C ATOM 0 H VAL A 89 116.271 10.903 -8.491 1.00 0.00 H new ATOM 0 HA VAL A 89 117.901 8.759 -7.292 1.00 0.00 H new ATOM 0 HB VAL A 89 119.123 10.546 -6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.535 11.305 -7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.104 9.587 -8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.261 10.817 -9.052 1.00 0.00 H new ATOM 0 HG21 VAL A 89 118.952 12.889 -6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.676 12.406 -7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.386 12.306 -6.204 1.00 0.00 H new ATOM 1385 N PHE A 90 116.920 9.182 -4.974 1.00 0.00 N ATOM 1386 CA PHE A 90 116.146 9.159 -3.738 1.00 0.00 C ATOM 1387 C PHE A 90 116.926 9.859 -2.627 1.00 0.00 C ATOM 1388 O PHE A 90 118.088 9.543 -2.389 1.00 0.00 O ATOM 1389 CB PHE A 90 115.889 7.701 -3.351 1.00 0.00 C ATOM 1390 CG PHE A 90 115.194 7.505 -2.024 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.820 7.748 -1.902 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.927 7.056 -0.919 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.181 7.544 -0.671 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.288 6.852 0.310 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.915 7.093 0.433 1.00 0.00 C ATOM 0 H PHE A 90 117.779 8.634 -4.929 1.00 0.00 H new ATOM 0 HA PHE A 90 115.199 9.678 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.288 7.234 -4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.843 7.174 -3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.254 8.092 -2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 90 116.986 6.867 -1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.122 7.735 -0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.855 6.509 1.163 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.421 6.931 1.380 1.00 0.00 H new ATOM 1405 N VAL A 91 116.291 10.808 -1.951 1.00 0.00 N ATOM 1406 CA VAL A 91 116.947 11.550 -0.875 1.00 0.00 C ATOM 1407 C VAL A 91 116.382 11.103 0.467 1.00 0.00 C ATOM 1408 O VAL A 91 115.167 11.055 0.643 1.00 0.00 O ATOM 1409 CB VAL A 91 116.707 13.055 -1.058 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.419 13.870 0.033 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.231 13.493 -2.429 1.00 0.00 C ATOM 0 H VAL A 91 115.325 11.084 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 91 118.019 11.353 -0.904 1.00 0.00 H new ATOM 0 HB VAL A 91 115.635 13.238 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.230 14.932 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.041 13.575 1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.492 13.682 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.061 14.562 -2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.299 13.285 -2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.707 12.944 -3.211 1.00 0.00 H new ATOM 1421 N ALA A 92 117.261 10.801 1.417 1.00 0.00 N ATOM 1422 CA ALA A 92 116.810 10.393 2.748 1.00 0.00 C ATOM 1423 C ALA A 92 116.894 11.563 3.734 1.00 0.00 C ATOM 1424 O ALA A 92 117.686 12.479 3.522 1.00 0.00 O ATOM 1425 CB ALA A 92 117.668 9.234 3.257 1.00 0.00 C ATOM 0 H ALA A 92 118.273 10.829 1.297 1.00 0.00 H new ATOM 0 HA ALA A 92 115.771 10.073 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.326 8.936 4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.581 8.389 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.710 9.549 3.312 1.00 0.00 H new ATOM 1431 N PRO A 93 116.112 11.566 4.794 1.00 0.00 N ATOM 1432 CA PRO A 93 116.159 12.673 5.800 1.00 0.00 C ATOM 1433 C PRO A 93 117.577 13.010 6.254 1.00 0.00 C ATOM 1434 O PRO A 93 117.855 14.140 6.656 1.00 0.00 O ATOM 1435 CB PRO A 93 115.334 12.155 6.981 1.00 0.00 C ATOM 1436 CG PRO A 93 114.415 11.128 6.415 1.00 0.00 C ATOM 1437 CD PRO A 93 115.082 10.570 5.158 1.00 0.00 C ATOM 0 HA PRO A 93 115.772 13.598 5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 93 115.977 11.724 7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.775 12.963 7.452 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.233 10.334 7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.447 11.568 6.174 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.528 9.594 5.349 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.359 10.439 4.353 1.00 0.00 H new ATOM 1445 N ASP A 94 118.469 12.029 6.191 1.00 0.00 N ATOM 1446 CA ASP A 94 119.844 12.232 6.643 1.00 0.00 C ATOM 1447 C ASP A 94 120.601 13.275 5.805 1.00 0.00 C ATOM 1448 O ASP A 94 121.680 13.715 6.199 1.00 0.00 O ATOM 1449 CB ASP A 94 120.593 10.890 6.618 1.00 0.00 C ATOM 1450 CG ASP A 94 120.492 10.202 5.251 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.059 10.835 4.302 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.860 9.040 5.169 1.00 0.00 O ATOM 0 H ASP A 94 118.270 11.094 5.836 1.00 0.00 H new ATOM 0 HA ASP A 94 119.799 12.622 7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.642 11.055 6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.185 10.233 7.386 1.00 0.00 H new ATOM 1457 N GLY A 95 120.047 13.674 4.660 1.00 0.00 N ATOM 1458 CA GLY A 95 120.726 14.616 3.767 1.00 0.00 C ATOM 1459 C GLY A 95 121.633 13.919 2.741 1.00 0.00 C ATOM 1460 O GLY A 95 122.408 14.580 2.048 1.00 0.00 O ATOM 0 H GLY A 95 119.134 13.362 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 95 119.980 15.211 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.323 15.307 4.362 1.00 0.00 H new ATOM 1464 N THR A 96 121.540 12.594 2.643 1.00 0.00 N ATOM 1465 CA THR A 96 122.345 11.822 1.712 1.00 0.00 C ATOM 1466 C THR A 96 121.516 11.502 0.478 1.00 0.00 C ATOM 1467 O THR A 96 120.329 11.193 0.588 1.00 0.00 O ATOM 1468 CB THR A 96 122.780 10.516 2.381 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.473 10.812 3.585 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.694 9.719 1.446 1.00 0.00 C ATOM 0 H THR A 96 120.904 12.031 3.208 1.00 0.00 H new ATOM 0 HA THR A 96 123.225 12.397 1.424 1.00 0.00 H new ATOM 0 HB THR A 96 121.896 9.918 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.751 9.977 4.016 1.00 0.00 H new ATOM 0 HG21 THR A 96 123.996 8.793 1.935 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.159 9.486 0.526 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.579 10.310 1.211 1.00 0.00 H new ATOM 1478 N THR A 97 122.139 11.580 -0.692 1.00 0.00 N ATOM 1479 CA THR A 97 121.443 11.254 -1.931 1.00 0.00 C ATOM 1480 C THR A 97 121.865 9.875 -2.422 1.00 0.00 C ATOM 1481 O THR A 97 123.053 9.570 -2.529 1.00 0.00 O ATOM 1482 CB THR A 97 121.759 12.302 -3.000 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.461 13.596 -2.497 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.917 12.032 -4.248 1.00 0.00 C ATOM 0 H THR A 97 123.112 11.862 -0.809 1.00 0.00 H new ATOM 0 HA THR A 97 120.370 11.250 -1.740 1.00 0.00 H new ATOM 0 HB THR A 97 122.816 12.248 -3.259 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.665 14.268 -3.181 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.143 12.779 -5.008 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.148 11.039 -4.635 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.859 12.084 -3.991 1.00 0.00 H new ATOM 1492 N TYR A 98 120.869 9.052 -2.718 1.00 0.00 N ATOM 1493 CA TYR A 98 121.095 7.708 -3.228 1.00 0.00 C ATOM 1494 C TYR A 98 120.562 7.621 -4.655 1.00 0.00 C ATOM 1495 O TYR A 98 119.602 8.304 -4.999 1.00 0.00 O ATOM 1496 CB TYR A 98 120.360 6.694 -2.346 1.00 0.00 C ATOM 1497 CG TYR A 98 120.784 6.708 -0.894 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.857 5.916 -0.466 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.098 7.508 0.029 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.242 5.924 0.882 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.485 7.518 1.376 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.556 6.726 1.804 1.00 0.00 C ATOM 1503 OH TYR A 98 121.937 6.734 3.131 1.00 0.00 O ATOM 0 H TYR A 98 119.884 9.297 -2.612 1.00 0.00 H new ATOM 0 HA TYR A 98 122.162 7.486 -3.218 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.289 6.891 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.522 5.695 -2.750 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.388 5.299 -1.175 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.269 8.118 -0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 98 123.068 5.311 1.210 1.00 0.00 H new ATOM 0 HE2 TYR A 98 119.956 8.138 2.085 1.00 0.00 H new ATOM 0 HH TYR A 98 121.520 7.495 3.587 1.00 0.00 H new ATOM 1513 N ALA A 99 121.177 6.784 -5.478 1.00 0.00 N ATOM 1514 CA ALA A 99 120.758 6.648 -6.869 1.00 0.00 C ATOM 1515 C ALA A 99 119.649 5.608 -6.992 1.00 0.00 C ATOM 1516 O ALA A 99 119.798 4.471 -6.544 1.00 0.00 O ATOM 1517 CB ALA A 99 121.956 6.234 -7.728 1.00 0.00 C ATOM 0 H ALA A 99 121.963 6.191 -5.211 1.00 0.00 H new ATOM 0 HA ALA A 99 120.375 7.607 -7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.641 6.133 -8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.734 6.994 -7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.346 5.280 -7.373 1.00 0.00 H new ATOM 1523 N LEU A 100 118.536 6.004 -7.603 1.00 0.00 N ATOM 1524 CA LEU A 100 117.410 5.097 -7.779 1.00 0.00 C ATOM 1525 C LEU A 100 117.612 4.233 -9.014 1.00 0.00 C ATOM 1526 O LEU A 100 117.512 3.008 -8.955 1.00 0.00 O ATOM 1527 CB LEU A 100 116.110 5.885 -7.947 1.00 0.00 C ATOM 1528 CG LEU A 100 115.578 6.333 -6.587 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.599 7.487 -6.801 1.00 0.00 C ATOM 1530 CD2 LEU A 100 114.844 5.164 -5.923 1.00 0.00 C ATOM 0 H LEU A 100 118.391 6.940 -7.981 1.00 0.00 H new ATOM 0 HA LEU A 100 117.348 4.466 -6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.284 6.755 -8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.366 5.268 -8.450 1.00 0.00 H new ATOM 0 HG LEU A 100 116.402 6.655 -5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.210 7.818 -5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.114 8.315 -7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.774 7.152 -7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.462 5.479 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.013 4.850 -6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.533 4.330 -5.789 1.00 0.00 H new ATOM 1542 N ASN A 101 117.899 4.888 -10.138 1.00 0.00 N ATOM 1543 CA ASN A 101 118.021 4.181 -11.415 1.00 0.00 C ATOM 1544 C ASN A 101 119.458 4.183 -11.933 1.00 0.00 C ATOM 1545 O ASN A 101 120.322 4.909 -11.441 1.00 0.00 O ATOM 1546 CB ASN A 101 117.079 4.806 -12.451 1.00 0.00 C ATOM 1547 CG ASN A 101 117.497 6.232 -12.802 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.525 6.722 -12.338 1.00 0.00 O ATOM 1549 ND2 ASN A 101 116.748 6.936 -13.607 1.00 0.00 N ATOM 0 H ASN A 101 118.050 5.895 -10.193 1.00 0.00 H new ATOM 0 HA ASN A 101 117.738 3.142 -11.248 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.073 4.195 -13.354 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.061 4.810 -12.062 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.016 7.890 -13.850 1.00 0.00 H new ATOM 0 HD22 ASN A 101 115.895 6.532 -13.993 1.00 0.00 H new ATOM 1556 N ASP A 102 119.702 3.354 -12.942 1.00 0.00 N ATOM 1557 CA ASP A 102 121.046 3.187 -13.488 1.00 0.00 C ATOM 1558 C ASP A 102 121.672 4.527 -13.869 1.00 0.00 C ATOM 1559 O ASP A 102 122.880 4.710 -13.745 1.00 0.00 O ATOM 1560 CB ASP A 102 120.995 2.283 -14.722 1.00 0.00 C ATOM 1561 CG ASP A 102 120.567 0.869 -14.333 1.00 0.00 C ATOM 1562 OD1 ASP A 102 120.858 0.459 -13.221 1.00 0.00 O ATOM 1563 OD2 ASP A 102 119.948 0.216 -15.158 1.00 0.00 O ATOM 0 H ASP A 102 118.988 2.787 -13.399 1.00 0.00 H new ATOM 0 HA ASP A 102 121.664 2.732 -12.714 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.296 2.693 -15.452 1.00 0.00 H new ATOM 0 HB3 ASP A 102 121.974 2.254 -15.200 1.00 0.00 H new ATOM 1568 N ARG A 103 120.852 5.463 -14.335 1.00 0.00 N ATOM 1569 CA ARG A 103 121.361 6.755 -14.781 1.00 0.00 C ATOM 1570 C ARG A 103 122.059 7.480 -13.631 1.00 0.00 C ATOM 1571 O ARG A 103 123.181 7.968 -13.769 1.00 0.00 O ATOM 1572 CB ARG A 103 120.189 7.580 -15.310 1.00 0.00 C ATOM 1573 CG ARG A 103 119.599 6.867 -16.530 1.00 0.00 C ATOM 1574 CD ARG A 103 118.356 7.613 -17.012 1.00 0.00 C ATOM 1575 NE ARG A 103 118.731 8.934 -17.513 1.00 0.00 N ATOM 1576 CZ ARG A 103 119.094 9.178 -18.776 1.00 0.00 C ATOM 1577 NH1 ARG A 103 119.127 8.243 -19.693 1.00 0.00 N ATOM 1578 NH2 ARG A 103 119.426 10.399 -19.089 1.00 0.00 N ATOM 0 H ARG A 103 119.841 5.353 -14.413 1.00 0.00 H new ATOM 0 HA ARG A 103 122.095 6.612 -15.574 1.00 0.00 H new ATOM 0 HB2 ARG A 103 119.430 7.697 -14.537 1.00 0.00 H new ATOM 0 HB3 ARG A 103 120.524 8.581 -15.582 1.00 0.00 H new ATOM 0 HG2 ARG A 103 120.339 6.820 -17.329 1.00 0.00 H new ATOM 0 HG3 ARG A 103 119.341 5.839 -16.273 1.00 0.00 H new ATOM 0 HD2 ARG A 103 117.862 7.043 -17.799 1.00 0.00 H new ATOM 0 HD3 ARG A 103 117.642 7.714 -16.195 1.00 0.00 H new ATOM 0 HE ARG A 103 118.715 9.717 -16.859 1.00 0.00 H new ATOM 0 HH11 ARG A 103 118.869 7.285 -19.454 1.00 0.00 H new ATOM 0 HH12 ARG A 103 119.410 8.473 -20.646 1.00 0.00 H new ATOM 0 HH21 ARG A 103 119.403 11.131 -18.379 1.00 0.00 H new ATOM 0 HH22 ARG A 103 119.708 10.622 -20.043 1.00 0.00 H new ATOM 1592 N ALA A 104 121.406 7.508 -12.476 1.00 0.00 N ATOM 1593 CA ALA A 104 122.000 8.106 -11.284 1.00 0.00 C ATOM 1594 C ALA A 104 123.289 7.386 -10.881 1.00 0.00 C ATOM 1595 O ALA A 104 124.220 8.007 -10.360 1.00 0.00 O ATOM 1596 CB ALA A 104 121.000 8.055 -10.129 1.00 0.00 C ATOM 0 H ALA A 104 120.470 7.126 -12.338 1.00 0.00 H new ATOM 0 HA ALA A 104 122.248 9.142 -11.514 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.447 8.502 -9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.101 8.609 -10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.738 7.018 -9.920 1.00 0.00 H new ATOM 1602 N GLU A 105 123.332 6.069 -11.086 1.00 0.00 N ATOM 1603 CA GLU A 105 124.545 5.309 -10.793 1.00 0.00 C ATOM 1604 C GLU A 105 125.696 5.792 -11.672 1.00 0.00 C ATOM 1605 O GLU A 105 126.820 5.959 -11.202 1.00 0.00 O ATOM 1606 CB GLU A 105 124.311 3.813 -11.021 1.00 0.00 C ATOM 1607 CG GLU A 105 123.230 3.308 -10.060 1.00 0.00 C ATOM 1608 CD GLU A 105 123.658 3.466 -8.599 1.00 0.00 C ATOM 1609 OE1 GLU A 105 124.842 3.633 -8.342 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.786 3.412 -7.747 1.00 0.00 O ATOM 0 H GLU A 105 122.555 5.515 -11.447 1.00 0.00 H new ATOM 0 HA GLU A 105 124.804 5.468 -9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 105 124.006 3.636 -12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.238 3.262 -10.863 1.00 0.00 H new ATOM 0 HG2 GLU A 105 122.305 3.858 -10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 105 123.020 2.259 -10.267 1.00 0.00 H new ATOM 1617 N LYS A 106 125.404 6.054 -12.942 1.00 0.00 N ATOM 1618 CA LYS A 106 126.408 6.616 -13.847 1.00 0.00 C ATOM 1619 C LYS A 106 126.922 7.965 -13.337 1.00 0.00 C ATOM 1620 O LYS A 106 128.090 8.303 -13.524 1.00 0.00 O ATOM 1621 CB LYS A 106 125.807 6.795 -15.243 1.00 0.00 C ATOM 1622 CG LYS A 106 125.441 5.426 -15.821 1.00 0.00 C ATOM 1623 CD LYS A 106 124.941 5.596 -17.256 1.00 0.00 C ATOM 1624 CE LYS A 106 124.459 4.246 -17.794 1.00 0.00 C ATOM 1625 NZ LYS A 106 124.347 4.313 -19.277 1.00 0.00 N ATOM 0 H LYS A 106 124.492 5.889 -13.367 1.00 0.00 H new ATOM 0 HA LYS A 106 127.247 5.922 -13.891 1.00 0.00 H new ATOM 0 HB2 LYS A 106 124.921 7.428 -15.191 1.00 0.00 H new ATOM 0 HB3 LYS A 106 126.520 7.298 -15.896 1.00 0.00 H new ATOM 0 HG2 LYS A 106 126.310 4.768 -15.803 1.00 0.00 H new ATOM 0 HG3 LYS A 106 124.671 4.955 -15.210 1.00 0.00 H new ATOM 0 HD2 LYS A 106 124.128 6.322 -17.285 1.00 0.00 H new ATOM 0 HD3 LYS A 106 125.740 5.986 -17.887 1.00 0.00 H new ATOM 0 HE2 LYS A 106 125.156 3.458 -17.507 1.00 0.00 H new ATOM 0 HE3 LYS A 106 123.493 3.992 -17.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 124.020 3.396 -19.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 123.666 5.054 -19.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 125.277 4.536 -19.686 1.00 0.00 H new ATOM 1639 N ALA A 107 126.042 8.731 -12.696 1.00 0.00 N ATOM 1640 CA ALA A 107 126.418 10.014 -12.098 1.00 0.00 C ATOM 1641 C ALA A 107 127.334 9.862 -10.873 1.00 0.00 C ATOM 1642 O ALA A 107 127.771 10.863 -10.302 1.00 0.00 O ATOM 1643 CB ALA A 107 125.157 10.776 -11.686 1.00 0.00 C ATOM 0 H ALA A 107 125.059 8.486 -12.576 1.00 0.00 H new ATOM 0 HA ALA A 107 126.977 10.563 -12.856 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.438 11.731 -11.241 1.00 0.00 H new ATOM 0 HB2 ALA A 107 124.536 10.954 -12.564 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.597 10.187 -10.959 1.00 0.00 H new ATOM 1649 N GLY A 108 127.628 8.627 -10.464 1.00 0.00 N ATOM 1650 CA GLY A 108 128.521 8.386 -9.335 1.00 0.00 C ATOM 1651 C GLY A 108 127.842 8.578 -7.980 1.00 0.00 C ATOM 1652 O GLY A 108 128.518 8.838 -6.983 1.00 0.00 O ATOM 0 H GLY A 108 127.260 7.781 -10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 108 128.910 7.370 -9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.375 9.060 -9.405 1.00 0.00 H new ATOM 1656 N HIS A 109 126.515 8.453 -7.934 1.00 0.00 N ATOM 1657 CA HIS A 109 125.807 8.484 -6.659 1.00 0.00 C ATOM 1658 C HIS A 109 125.720 7.064 -6.085 1.00 0.00 C ATOM 1659 O HIS A 109 125.552 6.117 -6.856 1.00 0.00 O ATOM 1660 CB HIS A 109 124.398 9.047 -6.852 1.00 0.00 C ATOM 1661 CG HIS A 109 124.352 10.550 -6.880 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.682 11.321 -5.776 1.00 0.00 N ATOM 1663 CD2 HIS A 109 124.015 11.440 -7.871 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.538 12.611 -6.125 1.00 0.00 C ATOM 1665 NE2 HIS A 109 124.134 12.742 -7.392 1.00 0.00 N ATOM 0 H HIS A 109 125.919 8.331 -8.753 1.00 0.00 H new ATOM 0 HA HIS A 109 126.352 9.125 -5.966 1.00 0.00 H new ATOM 0 HB2 HIS A 109 123.986 8.661 -7.784 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.758 8.687 -6.047 1.00 0.00 H new ATOM 0 HD2 HIS A 109 123.705 11.171 -8.870 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.726 13.442 -5.461 1.00 0.00 H new ATOM 0 HE2 HIS A 109 123.952 13.608 -7.899 1.00 0.00 H new ATOM 1673 N PRO A 110 125.824 6.879 -4.784 1.00 0.00 N ATOM 1674 CA PRO A 110 125.764 5.508 -4.189 1.00 0.00 C ATOM 1675 C PRO A 110 124.334 4.962 -4.192 1.00 0.00 C ATOM 1676 O PRO A 110 123.395 5.746 -4.075 1.00 0.00 O ATOM 1677 CB PRO A 110 126.274 5.700 -2.761 1.00 0.00 C ATOM 1678 CG PRO A 110 125.944 7.113 -2.417 1.00 0.00 C ATOM 1679 CD PRO A 110 125.971 7.901 -3.728 1.00 0.00 C ATOM 0 HA PRO A 110 126.355 4.786 -4.752 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.793 5.004 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.347 5.519 -2.698 1.00 0.00 H new ATOM 0 HG2 PRO A 110 124.963 7.178 -1.946 1.00 0.00 H new ATOM 0 HG3 PRO A 110 126.666 7.517 -1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.162 8.631 -3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 110 126.904 8.453 -3.839 1.00 0.00 H new ATOM 1687 N PRO A 111 124.130 3.667 -4.324 1.00 0.00 N ATOM 1688 CA PRO A 111 122.748 3.100 -4.396 1.00 0.00 C ATOM 1689 C PRO A 111 122.059 3.052 -3.033 1.00 0.00 C ATOM 1690 O PRO A 111 122.718 3.074 -1.994 1.00 0.00 O ATOM 1691 CB PRO A 111 122.950 1.695 -4.963 1.00 0.00 C ATOM 1692 CG PRO A 111 124.344 1.307 -4.602 1.00 0.00 C ATOM 1693 CD PRO A 111 125.144 2.597 -4.417 1.00 0.00 C ATOM 0 HA PRO A 111 122.094 3.718 -5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.228 0.996 -4.541 1.00 0.00 H new ATOM 0 HB3 PRO A 111 122.809 1.686 -6.044 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.353 0.715 -3.687 1.00 0.00 H new ATOM 0 HG3 PRO A 111 124.786 0.690 -5.385 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.757 2.555 -3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 111 125.820 2.766 -5.255 1.00 0.00 H new ATOM 1701 N ILE A 112 120.728 2.987 -3.048 1.00 0.00 N ATOM 1702 CA ILE A 112 119.954 2.934 -1.805 1.00 0.00 C ATOM 1703 C ILE A 112 120.296 1.696 -0.957 1.00 0.00 C ATOM 1704 O ILE A 112 119.944 1.664 0.220 1.00 0.00 O ATOM 1705 CB ILE A 112 118.445 2.969 -2.120 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.128 4.255 -2.891 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.623 2.954 -0.819 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.675 4.247 -3.379 1.00 0.00 C ATOM 0 H ILE A 112 120.166 2.970 -3.899 1.00 0.00 H new ATOM 0 HA ILE A 112 120.222 3.811 -1.215 1.00 0.00 H new ATOM 0 HB ILE A 112 118.187 2.092 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.297 5.121 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.803 4.351 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.560 2.979 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.847 2.047 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.879 3.826 -0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.469 5.168 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.517 3.393 -4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.004 4.174 -2.523 1.00 0.00 H new ATOM 1720 N THR A 113 121.018 0.718 -1.512 1.00 0.00 N ATOM 1721 CA THR A 113 121.234 -0.561 -0.831 1.00 0.00 C ATOM 1722 C THR A 113 121.580 -0.467 0.667 1.00 0.00 C ATOM 1723 O THR A 113 121.038 -1.275 1.424 1.00 0.00 O ATOM 1724 CB THR A 113 122.245 -1.437 -1.596 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.060 -2.791 -1.210 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.704 -1.046 -1.327 1.00 0.00 C ATOM 0 H THR A 113 121.461 0.787 -2.428 1.00 0.00 H new ATOM 0 HA THR A 113 120.259 -1.047 -0.846 1.00 0.00 H new ATOM 0 HB THR A 113 122.059 -1.290 -2.660 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.697 -3.359 -1.692 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.366 -1.700 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.866 -0.012 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 113 123.918 -1.148 -0.263 1.00 0.00 H new ATOM 1734 N PRO A 114 122.387 0.468 1.152 1.00 0.00 N ATOM 1735 CA PRO A 114 122.785 0.462 2.600 1.00 0.00 C ATOM 1736 C PRO A 114 121.580 0.562 3.537 1.00 0.00 C ATOM 1737 O PRO A 114 121.599 0.015 4.639 1.00 0.00 O ATOM 1738 CB PRO A 114 123.713 1.672 2.764 1.00 0.00 C ATOM 1739 CG PRO A 114 124.141 2.029 1.383 1.00 0.00 C ATOM 1740 CD PRO A 114 122.971 1.648 0.483 1.00 0.00 C ATOM 0 HA PRO A 114 123.274 -0.475 2.867 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.195 2.503 3.242 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.571 1.428 3.391 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.366 3.093 1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.045 1.490 1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.249 2.460 0.400 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.303 1.412 -0.528 1.00 0.00 H new ATOM 1748 N ILE A 115 120.537 1.259 3.096 1.00 0.00 N ATOM 1749 CA ILE A 115 119.321 1.413 3.905 1.00 0.00 C ATOM 1750 C ILE A 115 118.202 0.443 3.508 1.00 0.00 C ATOM 1751 O ILE A 115 117.094 0.558 4.023 1.00 0.00 O ATOM 1752 CB ILE A 115 118.782 2.851 3.833 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.671 3.322 2.373 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.705 3.792 4.611 1.00 0.00 C ATOM 1755 CD1 ILE A 115 117.903 4.649 2.290 1.00 0.00 C ATOM 0 H ILE A 115 120.504 1.725 2.189 1.00 0.00 H new ATOM 0 HA ILE A 115 119.622 1.177 4.926 1.00 0.00 H new ATOM 0 HB ILE A 115 117.787 2.867 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.667 3.445 1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.162 2.563 1.778 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.318 4.809 4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.751 3.477 5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.705 3.761 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 115 117.835 4.966 1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.900 4.515 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.428 5.410 2.867 1.00 0.00 H new ATOM 1767 N ARG A 116 118.469 -0.503 2.609 1.00 0.00 N ATOM 1768 CA ARG A 116 117.448 -1.457 2.183 1.00 0.00 C ATOM 1769 C ARG A 116 117.254 -2.539 3.242 1.00 0.00 C ATOM 1770 O ARG A 116 118.222 -3.046 3.807 1.00 0.00 O ATOM 1771 CB ARG A 116 117.871 -2.090 0.855 1.00 0.00 C ATOM 1772 CG ARG A 116 116.739 -2.964 0.310 1.00 0.00 C ATOM 1773 CD ARG A 116 117.118 -3.468 -1.084 1.00 0.00 C ATOM 1774 NE ARG A 116 118.233 -4.415 -0.996 1.00 0.00 N ATOM 1775 CZ ARG A 116 118.513 -5.319 -1.949 1.00 0.00 C ATOM 1776 NH1 ARG A 116 117.790 -5.434 -3.037 1.00 0.00 N ATOM 1777 NH2 ARG A 116 119.536 -6.111 -1.786 1.00 0.00 N ATOM 0 H ARG A 116 119.378 -0.629 2.164 1.00 0.00 H new ATOM 0 HA ARG A 116 116.501 -0.933 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.120 -1.311 0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 116 118.769 -2.691 0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.560 -3.807 0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 116 115.812 -2.392 0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 116 116.259 -3.950 -1.550 1.00 0.00 H new ATOM 0 HD3 ARG A 116 117.395 -2.627 -1.719 1.00 0.00 H new ATOM 0 HE ARG A 116 118.827 -4.386 -0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 116 116.985 -4.825 -3.181 1.00 0.00 H new ATOM 0 HH12 ARG A 116 118.033 -6.133 -3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 116 120.109 -6.038 -0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 116 119.764 -6.804 -2.499 1.00 0.00 H new ATOM 1791 N ALA A 117 115.998 -2.891 3.506 1.00 0.00 N ATOM 1792 CA ALA A 117 115.685 -3.853 4.556 1.00 0.00 C ATOM 1793 C ALA A 117 115.831 -5.291 4.068 1.00 0.00 C ATOM 1794 O ALA A 117 115.499 -5.612 2.927 1.00 0.00 O ATOM 1795 CB ALA A 117 114.250 -3.637 5.036 1.00 0.00 C ATOM 0 H ALA A 117 115.185 -2.526 3.009 1.00 0.00 H new ATOM 0 HA ALA A 117 116.391 -3.694 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 117 114.017 -4.356 5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 117 114.146 -2.625 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.563 -3.775 4.201 1.00 0.00 H new ATOM 1883 N ILE A 125 114.296 -6.963 0.279 1.00 0.00 N ATOM 1884 CA ILE A 125 113.022 -6.437 -0.198 1.00 0.00 C ATOM 1885 C ILE A 125 113.243 -5.486 -1.373 1.00 0.00 C ATOM 1886 O ILE A 125 114.054 -4.563 -1.300 1.00 0.00 O ATOM 1887 CB ILE A 125 112.303 -5.733 0.961 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.067 -6.742 2.094 1.00 0.00 C ATOM 1889 CG2 ILE A 125 110.952 -5.181 0.497 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.577 -6.028 3.357 1.00 0.00 C ATOM 0 HA ILE A 125 112.397 -7.256 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 125 112.923 -4.908 1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.332 -7.484 1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 125 112.991 -7.279 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.456 -4.685 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.109 -4.465 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.328 -6.000 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.415 -6.759 4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.325 -5.304 3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 125 110.641 -5.512 3.143 1.00 0.00 H new ATOM 1902 N SER A 126 112.506 -5.726 -2.454 1.00 0.00 N ATOM 1903 CA SER A 126 112.678 -4.967 -3.689 1.00 0.00 C ATOM 1904 C SER A 126 112.311 -3.499 -3.514 1.00 0.00 C ATOM 1905 O SER A 126 111.346 -3.159 -2.830 1.00 0.00 O ATOM 1906 CB SER A 126 111.807 -5.575 -4.789 1.00 0.00 C ATOM 1907 OG SER A 126 112.182 -6.931 -4.984 1.00 0.00 O ATOM 0 H SER A 126 111.782 -6.443 -2.499 1.00 0.00 H new ATOM 0 HA SER A 126 113.732 -5.019 -3.963 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.754 -5.512 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 126 111.927 -5.015 -5.716 1.00 0.00 H new ATOM 0 HG SER A 126 111.626 -7.326 -5.687 1.00 0.00 H new ATOM 1913 N LEU A 127 113.100 -2.639 -4.148 1.00 0.00 N ATOM 1914 CA LEU A 127 112.776 -1.214 -4.230 1.00 0.00 C ATOM 1915 C LEU A 127 112.002 -0.868 -5.515 1.00 0.00 C ATOM 1916 O LEU A 127 111.796 0.308 -5.813 1.00 0.00 O ATOM 1917 CB LEU A 127 114.064 -0.382 -4.197 1.00 0.00 C ATOM 1918 CG LEU A 127 114.898 -0.725 -2.958 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.204 0.071 -2.989 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.120 -0.360 -1.692 1.00 0.00 C ATOM 0 H LEU A 127 113.969 -2.901 -4.614 1.00 0.00 H new ATOM 0 HA LEU A 127 112.144 -0.980 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.648 -0.570 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.817 0.680 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 127 115.114 -1.793 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.799 -0.171 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.765 -0.185 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 127 115.980 1.138 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.717 -0.606 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 127 113.901 0.708 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.186 -0.922 -1.664 1.00 0.00 H new ATOM 1932 N GLY A 128 111.574 -1.875 -6.280 1.00 0.00 N ATOM 1933 CA GLY A 128 110.942 -1.638 -7.576 1.00 0.00 C ATOM 1934 C GLY A 128 109.835 -0.587 -7.510 1.00 0.00 C ATOM 1935 O GLY A 128 109.763 0.292 -8.368 1.00 0.00 O ATOM 0 H GLY A 128 111.654 -2.859 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.699 -1.317 -8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.527 -2.574 -7.949 1.00 0.00 H new ATOM 1939 N ALA A 129 108.990 -0.659 -6.486 1.00 0.00 N ATOM 1940 CA ALA A 129 107.858 0.259 -6.387 1.00 0.00 C ATOM 1941 C ALA A 129 108.336 1.707 -6.340 1.00 0.00 C ATOM 1942 O ALA A 129 107.865 2.556 -7.100 1.00 0.00 O ATOM 1943 CB ALA A 129 107.040 -0.053 -5.132 1.00 0.00 C ATOM 0 H ALA A 129 109.064 -1.332 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 129 107.233 0.127 -7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.198 0.636 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.668 -1.076 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.670 0.059 -4.250 1.00 0.00 H new ATOM 1949 N LEU A 130 109.297 1.980 -5.466 1.00 0.00 N ATOM 1950 CA LEU A 130 109.818 3.333 -5.323 1.00 0.00 C ATOM 1951 C LEU A 130 110.386 3.829 -6.649 1.00 0.00 C ATOM 1952 O LEU A 130 110.156 4.970 -7.050 1.00 0.00 O ATOM 1953 CB LEU A 130 110.910 3.348 -4.250 1.00 0.00 C ATOM 1954 CG LEU A 130 111.392 4.780 -4.010 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.305 5.570 -3.279 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.664 4.749 -3.157 1.00 0.00 C ATOM 0 H LEU A 130 109.728 1.290 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 130 109.005 3.996 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.525 2.925 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.746 2.722 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 130 111.605 5.259 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.649 6.590 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.399 5.589 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.091 5.094 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.011 5.768 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.450 4.271 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.438 4.186 -3.678 1.00 0.00 H new ATOM 1968 N LEU A 131 111.104 2.952 -7.343 1.00 0.00 N ATOM 1969 CA LEU A 131 111.730 3.328 -8.605 1.00 0.00 C ATOM 1970 C LEU A 131 110.677 3.778 -9.609 1.00 0.00 C ATOM 1971 O LEU A 131 110.842 4.799 -10.273 1.00 0.00 O ATOM 1972 CB LEU A 131 112.507 2.134 -9.167 1.00 0.00 C ATOM 1973 CG LEU A 131 113.268 2.546 -10.430 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.469 3.409 -10.046 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.756 1.289 -11.156 1.00 0.00 C ATOM 0 H LEU A 131 111.266 1.986 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 131 112.415 4.157 -8.426 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.206 1.760 -8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.820 1.319 -9.397 1.00 0.00 H new ATOM 0 HG LEU A 131 112.608 3.116 -11.084 1.00 0.00 H new ATOM 0 HD11 LEU A 131 115.010 3.701 -10.946 1.00 0.00 H new ATOM 0 HD12 LEU A 131 114.124 4.301 -9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.132 2.841 -9.393 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.299 1.577 -12.056 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.417 0.723 -10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.900 0.672 -11.430 1.00 0.00 H new ATOM 1987 N SER A 132 109.582 3.033 -9.692 1.00 0.00 N ATOM 1988 CA SER A 132 108.541 3.343 -10.664 1.00 0.00 C ATOM 1989 C SER A 132 107.982 4.740 -10.426 1.00 0.00 C ATOM 1990 O SER A 132 107.814 5.518 -11.365 1.00 0.00 O ATOM 1991 CB SER A 132 107.414 2.315 -10.571 1.00 0.00 C ATOM 1992 OG SER A 132 107.959 1.010 -10.718 1.00 0.00 O ATOM 0 H SER A 132 109.393 2.220 -9.106 1.00 0.00 H new ATOM 0 HA SER A 132 108.981 3.307 -11.661 1.00 0.00 H new ATOM 0 HB2 SER A 132 106.903 2.403 -9.612 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.671 2.501 -11.346 1.00 0.00 H new ATOM 0 HG SER A 132 108.402 0.745 -9.885 1.00 0.00 H new ATOM 1998 N THR A 133 107.732 5.070 -9.162 1.00 0.00 N ATOM 1999 CA THR A 133 107.156 6.369 -8.834 1.00 0.00 C ATOM 2000 C THR A 133 108.075 7.495 -9.296 1.00 0.00 C ATOM 2001 O THR A 133 107.636 8.450 -9.940 1.00 0.00 O ATOM 2002 CB THR A 133 106.926 6.475 -7.325 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.151 5.367 -6.889 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.185 7.775 -7.008 1.00 0.00 C ATOM 0 H THR A 133 107.916 4.467 -8.360 1.00 0.00 H new ATOM 0 HA THR A 133 106.201 6.463 -9.351 1.00 0.00 H new ATOM 0 HB THR A 133 107.886 6.474 -6.810 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.003 5.431 -5.922 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.022 7.848 -5.933 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.780 8.624 -7.344 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.224 7.780 -7.522 1.00 0.00 H new ATOM 2012 N THR A 134 109.363 7.362 -8.994 1.00 0.00 N ATOM 2013 CA THR A 134 110.318 8.410 -9.336 1.00 0.00 C ATOM 2014 C THR A 134 110.407 8.596 -10.849 1.00 0.00 C ATOM 2015 O THR A 134 110.448 9.724 -11.340 1.00 0.00 O ATOM 2016 CB THR A 134 111.693 8.073 -8.760 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.554 7.803 -7.372 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.636 9.260 -8.959 1.00 0.00 C ATOM 0 H THR A 134 109.765 6.553 -8.521 1.00 0.00 H new ATOM 0 HA THR A 134 109.970 9.347 -8.901 1.00 0.00 H new ATOM 0 HB THR A 134 112.105 7.201 -9.268 1.00 0.00 H new ATOM 0 HG1 THR A 134 111.226 6.888 -7.248 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.616 9.019 -8.548 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.732 9.474 -10.023 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.233 10.134 -8.448 1.00 0.00 H new ATOM 2026 N LEU A 135 110.411 7.491 -11.589 1.00 0.00 N ATOM 2027 CA LEU A 135 110.484 7.565 -13.045 1.00 0.00 C ATOM 2028 C LEU A 135 109.296 8.340 -13.607 1.00 0.00 C ATOM 2029 O LEU A 135 109.445 9.117 -14.551 1.00 0.00 O ATOM 2030 CB LEU A 135 110.510 6.157 -13.645 1.00 0.00 C ATOM 2031 CG LEU A 135 111.801 5.444 -13.238 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.721 3.972 -13.642 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.989 6.097 -13.949 1.00 0.00 C ATOM 0 H LEU A 135 110.365 6.545 -11.211 1.00 0.00 H new ATOM 0 HA LEU A 135 111.402 8.088 -13.313 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.646 5.589 -13.300 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.442 6.213 -14.731 1.00 0.00 H new ATOM 0 HG LEU A 135 111.931 5.520 -12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.641 3.465 -13.352 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.874 3.503 -13.141 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.591 3.898 -14.722 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.910 5.590 -13.660 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.855 6.019 -15.028 1.00 0.00 H new ATOM 0 HD23 LEU A 135 113.049 7.148 -13.666 1.00 0.00 H new ATOM 2045 N ASN A 136 108.119 8.127 -13.026 1.00 0.00 N ATOM 2046 CA ASN A 136 106.922 8.824 -13.481 1.00 0.00 C ATOM 2047 C ASN A 136 107.106 10.332 -13.360 1.00 0.00 C ATOM 2048 O ASN A 136 106.725 11.087 -14.255 1.00 0.00 O ATOM 2049 CB ASN A 136 105.714 8.383 -12.651 1.00 0.00 C ATOM 2050 CG ASN A 136 105.432 6.900 -12.871 1.00 0.00 C ATOM 2051 OD1 ASN A 136 105.824 6.333 -13.892 1.00 0.00 O ATOM 2052 ND2 ASN A 136 104.769 6.232 -11.966 1.00 0.00 N ATOM 0 H ASN A 136 107.970 7.485 -12.248 1.00 0.00 H new ATOM 0 HA ASN A 136 106.751 8.574 -14.528 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.902 8.571 -11.594 1.00 0.00 H new ATOM 0 HB3 ASN A 136 104.839 8.971 -12.929 1.00 0.00 H new ATOM 0 HD21 ASN A 136 104.575 5.240 -12.104 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.445 6.702 -11.121 1.00 0.00 H new ATOM 2059 N LEU A 137 107.691 10.765 -12.247 1.00 0.00 N ATOM 2060 CA LEU A 137 107.945 12.191 -12.045 1.00 0.00 C ATOM 2061 C LEU A 137 108.903 12.733 -13.098 1.00 0.00 C ATOM 2062 O LEU A 137 108.729 13.845 -13.597 1.00 0.00 O ATOM 2063 CB LEU A 137 108.562 12.429 -10.663 1.00 0.00 C ATOM 2064 CG LEU A 137 107.640 11.905 -9.560 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.320 12.109 -8.203 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.314 12.670 -9.581 1.00 0.00 C ATOM 0 H LEU A 137 107.994 10.162 -11.482 1.00 0.00 H new ATOM 0 HA LEU A 137 106.989 12.708 -12.126 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.530 11.932 -10.601 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.741 13.494 -10.518 1.00 0.00 H new ATOM 0 HG LEU A 137 107.444 10.845 -9.725 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.670 11.738 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.263 11.563 -8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.512 13.171 -8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.663 12.291 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.503 13.731 -9.417 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.830 12.533 -10.548 1.00 0.00 H new ATOM 2078 N CYS A 138 109.914 11.940 -13.434 1.00 0.00 N ATOM 2079 CA CYS A 138 110.907 12.358 -14.422 1.00 0.00 C ATOM 2080 C CYS A 138 110.288 12.575 -15.807 1.00 0.00 C ATOM 2081 O CYS A 138 110.823 13.338 -16.611 1.00 0.00 O ATOM 2082 CB CYS A 138 112.021 11.312 -14.520 1.00 0.00 C ATOM 2083 SG CYS A 138 112.906 11.093 -12.944 1.00 0.00 S ATOM 0 H CYS A 138 110.069 11.011 -13.042 1.00 0.00 H new ATOM 0 HA CYS A 138 111.317 13.311 -14.086 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.594 10.358 -14.830 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.729 11.610 -15.293 1.00 0.00 H new ATOM 2088 N GLY A 139 109.168 11.912 -16.090 1.00 0.00 N ATOM 2089 CA GLY A 139 108.509 12.058 -17.386 1.00 0.00 C ATOM 2090 C GLY A 139 109.045 11.077 -18.434 1.00 0.00 C ATOM 2091 O GLY A 139 108.924 11.327 -19.634 1.00 0.00 O ATOM 0 H GLY A 139 108.701 11.274 -15.445 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.437 11.903 -17.264 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.645 13.078 -17.746 1.00 0.00 H new