USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 47 ASN : amide:sc= 0 K(o=-1.6,f=-0.62) USER MOD Set 1.2: A 48 GLN : amide:sc= -1.65 K(o=-1.6,f=-0.62) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.119 (180deg=-0.681) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 4 HIS : no HE2:sc= 0.00705 K(o=0.0071,f=-1.5) USER MOD Single : A 5 HIS : no HE2:sc= 0.445 K(o=0.44,f=-1.9!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.0027) USER MOD Single : A 8 HIS : no HD1:sc= -0.0081 X(o=-0.0081,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00759 USER MOD Single : A 10 HIS : no HD1:sc= -0.0434 X(o=-0.043,f=-0.17) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 39:sc= -0.0206 USER MOD Single : A 21 CYS SG : rot 180:sc= 0.0485 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -3:sc= 0.406 USER MOD Single : A 29 ASN : amide:sc= -0.0013 K(o=-0.0013,f=-1.6) USER MOD Single : A 32 MET CE :methyl -140:sc= -0.418 (180deg=-2.15!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 57:sc= 1.01 USER MOD Single : A 38 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=-0.028) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 45 HIS : no HE2:sc= 0.507 K(o=0.51,f=-1.7!) USER MOD Single : A 52 SER OG : rot 40:sc= 0.115 USER MOD Single : A 54 THR OG1 : rot -23:sc= 0.315 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.7!) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= 1.22 (180deg=1.04) USER MOD Single : A 66 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-4.8!) USER MOD Single : A 67 SER OG : rot 64:sc= 0.314 USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= -0.0082 (180deg=-0.105) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0144) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -53.741 21.219 74.062 1.00 53.31 N ATOM 2 CA MET A 1 -52.788 20.392 74.831 1.00 75.11 C ATOM 3 C MET A 1 -51.684 19.902 73.887 1.00 54.42 C ATOM 4 O MET A 1 -51.828 18.855 73.239 1.00 31.44 O ATOM 5 CB MET A 1 -53.526 19.205 75.509 1.00 35.34 C ATOM 6 CG MET A 1 -52.670 18.366 76.476 1.00 55.22 C ATOM 7 SD MET A 1 -53.577 16.965 77.165 1.00 44.15 S ATOM 8 CE MET A 1 -53.953 16.018 75.686 1.00 34.41 C ATOM 0 H1 MET A 1 -54.495 21.557 74.693 1.00 53.31 H new ATOM 0 H2 MET A 1 -53.241 22.034 73.652 1.00 53.31 H new ATOM 0 H3 MET A 1 -54.158 20.649 73.299 1.00 53.31 H new ATOM 0 HA MET A 1 -52.335 20.986 75.624 1.00 75.11 H new ATOM 0 HB2 MET A 1 -54.384 19.596 76.055 1.00 35.34 H new ATOM 0 HB3 MET A 1 -53.916 18.548 74.731 1.00 35.34 H new ATOM 0 HG2 MET A 1 -51.787 18.000 75.951 1.00 55.22 H new ATOM 0 HG3 MET A 1 -52.317 19.001 77.288 1.00 55.22 H new ATOM 0 HE1 MET A 1 -54.199 14.993 75.963 1.00 34.41 H new ATOM 0 HE2 MET A 1 -54.802 16.468 75.172 1.00 34.41 H new ATOM 0 HE3 MET A 1 -53.087 16.017 75.024 1.00 34.41 H new ATOM 20 N GLY A 2 -50.605 20.703 73.790 1.00 23.25 N ATOM 21 CA GLY A 2 -49.505 20.449 72.862 1.00 63.14 C ATOM 22 C GLY A 2 -49.900 20.763 71.428 1.00 1.24 C ATOM 23 O GLY A 2 -50.795 20.105 70.881 1.00 75.24 O ATOM 0 H GLY A 2 -50.479 21.542 74.356 1.00 23.25 H new ATOM 0 HA2 GLY A 2 -48.643 21.054 73.144 1.00 63.14 H new ATOM 0 HA3 GLY A 2 -49.199 19.405 72.936 1.00 63.14 H new ATOM 27 N HIS A 3 -49.263 21.779 70.817 1.00 44.21 N ATOM 28 CA HIS A 3 -49.561 22.175 69.429 1.00 44.44 C ATOM 29 C HIS A 3 -49.003 21.121 68.451 1.00 53.34 C ATOM 30 O HIS A 3 -47.881 21.242 67.940 1.00 3.41 O ATOM 31 CB HIS A 3 -49.010 23.597 69.126 1.00 65.11 C ATOM 32 CG HIS A 3 -49.550 24.214 67.862 1.00 51.52 C ATOM 33 ND1 HIS A 3 -48.755 24.593 66.804 1.00 24.41 N ATOM 34 CD2 HIS A 3 -50.814 24.553 67.515 1.00 64.52 C ATOM 35 CE1 HIS A 3 -49.508 25.127 65.865 1.00 42.32 C ATOM 36 NE2 HIS A 3 -50.761 25.110 66.269 1.00 75.50 N ATOM 0 H HIS A 3 -48.538 22.341 71.264 1.00 44.21 H new ATOM 0 HA HIS A 3 -50.642 22.219 69.296 1.00 44.44 H new ATOM 0 HB2 HIS A 3 -49.245 24.252 69.965 1.00 65.11 H new ATOM 0 HB3 HIS A 3 -47.923 23.546 69.056 1.00 65.11 H new ATOM 0 HD2 HIS A 3 -51.701 24.409 68.114 1.00 64.52 H new ATOM 0 HE1 HIS A 3 -49.156 25.515 64.920 1.00 42.32 H new ATOM 0 HE2 HIS A 3 -51.561 25.456 65.739 1.00 75.50 H new ATOM 45 N HIS A 4 -49.798 20.053 68.273 1.00 43.33 N ATOM 46 CA HIS A 4 -49.470 18.912 67.414 1.00 72.31 C ATOM 47 C HIS A 4 -49.800 19.242 65.955 1.00 51.21 C ATOM 48 O HIS A 4 -50.828 19.871 65.665 1.00 32.11 O ATOM 49 CB HIS A 4 -50.209 17.633 67.900 1.00 21.00 C ATOM 50 CG HIS A 4 -51.694 17.791 68.143 1.00 2.43 C ATOM 51 ND1 HIS A 4 -52.218 18.096 69.382 1.00 52.21 N ATOM 52 CD2 HIS A 4 -52.756 17.655 67.317 1.00 22.34 C ATOM 53 CE1 HIS A 4 -53.530 18.138 69.302 1.00 13.41 C ATOM 54 NE2 HIS A 4 -53.881 17.872 68.062 1.00 72.44 N ATOM 0 H HIS A 4 -50.704 19.960 68.733 1.00 43.33 H new ATOM 0 HA HIS A 4 -48.400 18.711 67.477 1.00 72.31 H new ATOM 0 HB2 HIS A 4 -50.061 16.846 67.160 1.00 21.00 H new ATOM 0 HB3 HIS A 4 -49.741 17.293 68.824 1.00 21.00 H new ATOM 0 HD1 HIS A 4 -51.673 18.263 70.228 1.00 52.21 H new ATOM 0 HD2 HIS A 4 -52.722 17.419 66.264 1.00 22.34 H new ATOM 0 HE1 HIS A 4 -54.205 18.354 70.117 1.00 13.41 H new ATOM 63 N HIS A 5 -48.911 18.823 65.047 1.00 53.42 N ATOM 64 CA HIS A 5 -48.973 19.202 63.630 1.00 64.14 C ATOM 65 C HIS A 5 -48.398 18.082 62.749 1.00 30.04 C ATOM 66 O HIS A 5 -47.200 17.792 62.792 1.00 43.21 O ATOM 67 CB HIS A 5 -48.231 20.555 63.410 1.00 21.01 C ATOM 68 CG HIS A 5 -46.830 20.625 63.978 1.00 23.23 C ATOM 69 ND1 HIS A 5 -46.584 20.766 65.326 1.00 14.50 N ATOM 70 CD2 HIS A 5 -45.610 20.573 63.388 1.00 24.45 C ATOM 71 CE1 HIS A 5 -45.290 20.798 65.537 1.00 0.32 C ATOM 72 NE2 HIS A 5 -44.677 20.681 64.380 1.00 63.32 N ATOM 0 H HIS A 5 -48.127 18.211 65.274 1.00 53.42 H new ATOM 0 HA HIS A 5 -50.014 19.341 63.338 1.00 64.14 H new ATOM 0 HB2 HIS A 5 -48.181 20.753 62.339 1.00 21.01 H new ATOM 0 HB3 HIS A 5 -48.826 21.353 63.855 1.00 21.01 H new ATOM 0 HD1 HIS A 5 -47.299 20.835 66.050 1.00 14.50 H new ATOM 0 HD2 HIS A 5 -45.413 20.466 62.332 1.00 24.45 H new ATOM 0 HE1 HIS A 5 -44.809 20.903 66.498 1.00 0.32 H new ATOM 81 N HIS A 6 -49.273 17.428 61.972 1.00 71.05 N ATOM 82 CA HIS A 6 -48.874 16.365 61.040 1.00 31.10 C ATOM 83 C HIS A 6 -48.671 16.964 59.641 1.00 12.52 C ATOM 84 O HIS A 6 -49.545 17.674 59.127 1.00 44.01 O ATOM 85 CB HIS A 6 -49.947 15.238 60.999 1.00 75.13 C ATOM 86 CG HIS A 6 -49.488 13.955 60.327 1.00 75.40 C ATOM 87 ND1 HIS A 6 -49.182 12.806 61.029 1.00 24.33 N ATOM 88 CD2 HIS A 6 -49.278 13.649 59.019 1.00 4.30 C ATOM 89 CE1 HIS A 6 -48.796 11.867 60.186 1.00 55.10 C ATOM 90 NE2 HIS A 6 -48.844 12.351 58.965 1.00 63.03 N ATOM 0 H HIS A 6 -50.275 17.621 61.972 1.00 71.05 H new ATOM 0 HA HIS A 6 -47.938 15.925 61.382 1.00 31.10 H new ATOM 0 HB2 HIS A 6 -50.254 15.009 62.019 1.00 75.13 H new ATOM 0 HB3 HIS A 6 -50.828 15.611 60.477 1.00 75.13 H new ATOM 0 HD2 HIS A 6 -49.426 14.309 58.177 1.00 4.30 H new ATOM 0 HE1 HIS A 6 -48.491 10.866 60.455 1.00 55.10 H new ATOM 0 HE2 HIS A 6 -48.598 11.843 58.116 1.00 63.03 H new ATOM 99 N HIS A 7 -47.514 16.669 59.035 1.00 34.11 N ATOM 100 CA HIS A 7 -47.196 17.087 57.655 1.00 24.22 C ATOM 101 C HIS A 7 -47.052 15.853 56.753 1.00 15.50 C ATOM 102 O HIS A 7 -46.708 14.761 57.222 1.00 33.14 O ATOM 103 CB HIS A 7 -45.912 17.962 57.612 1.00 23.31 C ATOM 104 CG HIS A 7 -44.630 17.265 58.028 1.00 63.34 C ATOM 105 ND1 HIS A 7 -43.541 17.109 57.188 1.00 35.22 N ATOM 106 CD2 HIS A 7 -44.260 16.714 59.210 1.00 25.24 C ATOM 107 CE1 HIS A 7 -42.573 16.487 57.837 1.00 31.33 C ATOM 108 NE2 HIS A 7 -42.989 16.239 59.061 1.00 44.33 N ATOM 0 H HIS A 7 -46.770 16.135 59.483 1.00 34.11 H new ATOM 0 HA HIS A 7 -48.018 17.698 57.282 1.00 24.22 H new ATOM 0 HB2 HIS A 7 -45.786 18.341 56.598 1.00 23.31 H new ATOM 0 HB3 HIS A 7 -46.061 18.826 58.259 1.00 23.31 H new ATOM 0 HD2 HIS A 7 -44.861 16.661 60.106 1.00 25.24 H new ATOM 0 HE1 HIS A 7 -41.606 16.227 57.433 1.00 31.33 H new ATOM 0 HE2 HIS A 7 -42.447 15.766 59.784 1.00 44.33 H new ATOM 117 N HIS A 8 -47.322 16.044 55.458 1.00 73.22 N ATOM 118 CA HIS A 8 -47.207 14.992 54.436 1.00 64.22 C ATOM 119 C HIS A 8 -46.434 15.555 53.238 1.00 20.32 C ATOM 120 O HIS A 8 -46.996 16.275 52.403 1.00 20.33 O ATOM 121 CB HIS A 8 -48.617 14.481 54.016 1.00 10.14 C ATOM 122 CG HIS A 8 -48.625 13.399 52.940 1.00 73.43 C ATOM 123 ND1 HIS A 8 -48.834 12.060 53.209 1.00 75.32 N ATOM 124 CD2 HIS A 8 -48.478 13.471 51.587 1.00 61.44 C ATOM 125 CE1 HIS A 8 -48.806 11.370 52.087 1.00 23.52 C ATOM 126 NE2 HIS A 8 -48.591 12.206 51.092 1.00 54.20 N ATOM 0 H HIS A 8 -47.630 16.941 55.083 1.00 73.22 H new ATOM 0 HA HIS A 8 -46.664 14.137 54.840 1.00 64.22 H new ATOM 0 HB2 HIS A 8 -49.123 14.094 54.900 1.00 10.14 H new ATOM 0 HB3 HIS A 8 -49.201 15.329 53.659 1.00 10.14 H new ATOM 0 HD2 HIS A 8 -48.304 14.368 51.011 1.00 61.44 H new ATOM 0 HE1 HIS A 8 -48.937 10.302 51.998 1.00 23.52 H new ATOM 0 HE2 HIS A 8 -48.520 11.948 50.108 1.00 54.20 H new ATOM 135 N SER A 9 -45.132 15.260 53.185 1.00 40.45 N ATOM 136 CA SER A 9 -44.294 15.563 52.022 1.00 30.43 C ATOM 137 C SER A 9 -44.512 14.494 50.928 1.00 60.31 C ATOM 138 O SER A 9 -44.984 13.383 51.222 1.00 41.12 O ATOM 139 CB SER A 9 -42.816 15.615 52.457 1.00 33.23 C ATOM 140 OG SER A 9 -42.452 14.435 53.157 1.00 64.44 O ATOM 0 H SER A 9 -44.630 14.805 53.947 1.00 40.45 H new ATOM 0 HA SER A 9 -44.570 16.533 51.609 1.00 30.43 H new ATOM 0 HB2 SER A 9 -42.179 15.734 51.581 1.00 33.23 H new ATOM 0 HB3 SER A 9 -42.650 16.485 53.092 1.00 33.23 H new ATOM 0 HG SER A 9 -41.510 14.489 53.422 1.00 64.44 H new ATOM 146 N HIS A 10 -44.188 14.842 49.671 1.00 55.11 N ATOM 147 CA HIS A 10 -44.318 13.932 48.518 1.00 40.41 C ATOM 148 C HIS A 10 -43.409 14.408 47.364 1.00 15.12 C ATOM 149 O HIS A 10 -43.758 15.324 46.606 1.00 43.53 O ATOM 150 CB HIS A 10 -45.813 13.793 48.079 1.00 24.32 C ATOM 151 CG HIS A 10 -46.533 15.095 47.828 1.00 2.32 C ATOM 152 ND1 HIS A 10 -46.733 15.611 46.569 1.00 23.30 N ATOM 153 CD2 HIS A 10 -47.112 15.971 48.687 1.00 5.12 C ATOM 154 CE1 HIS A 10 -47.391 16.745 46.658 1.00 71.55 C ATOM 155 NE2 HIS A 10 -47.636 16.985 47.934 1.00 32.34 N ATOM 0 H HIS A 10 -43.828 15.764 49.424 1.00 55.11 H new ATOM 0 HA HIS A 10 -43.986 12.936 48.811 1.00 40.41 H new ATOM 0 HB2 HIS A 10 -45.854 13.193 47.170 1.00 24.32 H new ATOM 0 HB3 HIS A 10 -46.351 13.241 48.850 1.00 24.32 H new ATOM 0 HD2 HIS A 10 -47.152 15.884 49.763 1.00 5.12 H new ATOM 0 HE1 HIS A 10 -47.682 17.374 45.829 1.00 71.55 H new ATOM 0 HE2 HIS A 10 -48.136 17.796 48.299 1.00 32.34 H new ATOM 164 N MET A 11 -42.211 13.799 47.276 1.00 52.31 N ATOM 165 CA MET A 11 -41.217 14.080 46.219 1.00 65.35 C ATOM 166 C MET A 11 -40.206 12.920 46.163 1.00 30.13 C ATOM 167 O MET A 11 -39.303 12.848 47.005 1.00 53.13 O ATOM 168 CB MET A 11 -40.482 15.431 46.483 1.00 44.42 C ATOM 169 CG MET A 11 -39.465 15.853 45.400 1.00 13.33 C ATOM 170 SD MET A 11 -40.220 16.082 43.770 1.00 14.41 S ATOM 171 CE MET A 11 -38.829 16.697 42.810 1.00 2.42 C ATOM 0 H MET A 11 -41.902 13.091 47.942 1.00 52.31 H new ATOM 0 HA MET A 11 -41.731 14.168 45.262 1.00 65.35 H new ATOM 0 HB2 MET A 11 -41.229 16.218 46.583 1.00 44.42 H new ATOM 0 HB3 MET A 11 -39.962 15.362 47.439 1.00 44.42 H new ATOM 0 HG2 MET A 11 -38.983 16.782 45.705 1.00 13.33 H new ATOM 0 HG3 MET A 11 -38.683 15.097 45.329 1.00 13.33 H new ATOM 0 HE1 MET A 11 -39.148 16.882 41.784 1.00 2.42 H new ATOM 0 HE2 MET A 11 -38.466 17.626 43.250 1.00 2.42 H new ATOM 0 HE3 MET A 11 -38.029 15.957 42.813 1.00 2.42 H new ATOM 181 N PRO A 12 -40.375 11.942 45.222 1.00 33.04 N ATOM 182 CA PRO A 12 -39.367 10.885 45.004 1.00 13.01 C ATOM 183 C PRO A 12 -38.143 11.415 44.231 1.00 41.34 C ATOM 184 O PRO A 12 -38.215 12.456 43.561 1.00 22.30 O ATOM 185 CB PRO A 12 -40.146 9.825 44.188 1.00 61.32 C ATOM 186 CG PRO A 12 -41.175 10.610 43.421 1.00 55.32 C ATOM 187 CD PRO A 12 -41.566 11.764 44.329 1.00 54.20 C ATOM 0 HA PRO A 12 -38.954 10.490 45.932 1.00 13.01 H new ATOM 0 HB2 PRO A 12 -39.484 9.278 43.516 1.00 61.32 H new ATOM 0 HB3 PRO A 12 -40.616 9.090 44.841 1.00 61.32 H new ATOM 0 HG2 PRO A 12 -40.768 10.974 42.478 1.00 55.32 H new ATOM 0 HG3 PRO A 12 -42.039 9.992 43.178 1.00 55.32 H new ATOM 0 HD2 PRO A 12 -41.775 12.668 43.758 1.00 54.20 H new ATOM 0 HD3 PRO A 12 -42.464 11.534 44.902 1.00 54.20 H new ATOM 195 N ASN A 13 -37.022 10.700 44.341 1.00 13.10 N ATOM 196 CA ASN A 13 -35.795 11.022 43.602 1.00 70.52 C ATOM 197 C ASN A 13 -35.276 9.731 42.959 1.00 55.35 C ATOM 198 O ASN A 13 -35.097 8.721 43.645 1.00 2.15 O ATOM 199 CB ASN A 13 -34.729 11.650 44.547 1.00 65.33 C ATOM 200 CG ASN A 13 -33.598 12.384 43.803 1.00 70.15 C ATOM 201 OD1 ASN A 13 -33.278 12.079 42.652 1.00 13.12 O ATOM 202 ND2 ASN A 13 -32.977 13.355 44.462 1.00 51.43 N ATOM 0 H ASN A 13 -36.937 9.882 44.944 1.00 13.10 H new ATOM 0 HA ASN A 13 -36.005 11.760 42.828 1.00 70.52 H new ATOM 0 HB2 ASN A 13 -35.222 12.350 45.222 1.00 65.33 H new ATOM 0 HB3 ASN A 13 -34.295 10.863 45.164 1.00 65.33 H new ATOM 0 HD21 ASN A 13 -32.216 13.868 44.017 1.00 51.43 H new ATOM 0 HD22 ASN A 13 -33.261 13.588 45.414 1.00 51.43 H new ATOM 209 N GLY A 14 -35.054 9.772 41.645 1.00 3.32 N ATOM 210 CA GLY A 14 -34.648 8.593 40.889 1.00 62.11 C ATOM 211 C GLY A 14 -34.346 8.937 39.446 1.00 23.02 C ATOM 212 O GLY A 14 -35.269 9.064 38.632 1.00 73.31 O ATOM 0 H GLY A 14 -35.150 10.617 41.081 1.00 3.32 H new ATOM 0 HA2 GLY A 14 -33.766 8.149 41.351 1.00 62.11 H new ATOM 0 HA3 GLY A 14 -35.439 7.844 40.928 1.00 62.11 H new ATOM 216 N LYS A 15 -33.057 9.130 39.137 1.00 24.24 N ATOM 217 CA LYS A 15 -32.594 9.416 37.775 1.00 62.30 C ATOM 218 C LYS A 15 -32.746 8.168 36.877 1.00 12.42 C ATOM 219 O LYS A 15 -32.506 7.044 37.327 1.00 31.44 O ATOM 220 CB LYS A 15 -31.121 9.919 37.801 1.00 5.55 C ATOM 221 CG LYS A 15 -30.585 10.370 36.419 1.00 22.10 C ATOM 222 CD LYS A 15 -29.134 10.914 36.469 1.00 23.44 C ATOM 223 CE LYS A 15 -28.643 11.389 35.086 1.00 23.40 C ATOM 224 NZ LYS A 15 -27.239 11.891 35.114 1.00 14.22 N ATOM 0 H LYS A 15 -32.306 9.092 39.826 1.00 24.24 H new ATOM 0 HA LYS A 15 -33.213 10.207 37.351 1.00 62.30 H new ATOM 0 HB2 LYS A 15 -31.045 10.753 38.499 1.00 5.55 H new ATOM 0 HB3 LYS A 15 -30.483 9.123 38.185 1.00 5.55 H new ATOM 0 HG2 LYS A 15 -30.626 9.527 35.729 1.00 22.10 H new ATOM 0 HG3 LYS A 15 -31.241 11.142 36.018 1.00 22.10 H new ATOM 0 HD2 LYS A 15 -29.082 11.742 37.175 1.00 23.44 H new ATOM 0 HD3 LYS A 15 -28.468 10.135 36.842 1.00 23.44 H new ATOM 0 HE2 LYS A 15 -28.715 10.565 34.377 1.00 23.40 H new ATOM 0 HE3 LYS A 15 -29.300 12.180 34.724 1.00 23.40 H new ATOM 0 HZ1 LYS A 15 -26.961 12.197 34.160 1.00 14.22 H new ATOM 0 HZ2 LYS A 15 -27.171 12.696 35.769 1.00 14.22 H new ATOM 0 HZ3 LYS A 15 -26.605 11.131 35.433 1.00 14.22 H new ATOM 238 N LEU A 16 -33.157 8.387 35.618 1.00 71.51 N ATOM 239 CA LEU A 16 -33.391 7.308 34.634 1.00 42.22 C ATOM 240 C LEU A 16 -32.778 7.688 33.280 1.00 24.45 C ATOM 241 O LEU A 16 -32.249 8.796 33.125 1.00 50.44 O ATOM 242 CB LEU A 16 -34.922 6.997 34.544 1.00 65.14 C ATOM 243 CG LEU A 16 -35.912 8.199 34.266 1.00 21.15 C ATOM 244 CD1 LEU A 16 -35.926 8.628 32.784 1.00 21.50 C ATOM 245 CD2 LEU A 16 -37.345 7.873 34.741 1.00 14.33 C ATOM 0 H LEU A 16 -33.338 9.320 35.248 1.00 71.51 H new ATOM 0 HA LEU A 16 -32.896 6.392 34.957 1.00 42.22 H new ATOM 0 HB2 LEU A 16 -35.066 6.257 33.756 1.00 65.14 H new ATOM 0 HB3 LEU A 16 -35.222 6.528 35.481 1.00 65.14 H new ATOM 0 HG LEU A 16 -35.534 9.041 34.846 1.00 21.15 H new ATOM 0 HD11 LEU A 16 -36.622 9.456 32.651 1.00 21.50 H new ATOM 0 HD12 LEU A 16 -34.926 8.944 32.487 1.00 21.50 H new ATOM 0 HD13 LEU A 16 -36.240 7.788 32.165 1.00 21.50 H new ATOM 0 HD21 LEU A 16 -37.998 8.721 34.534 1.00 14.33 H new ATOM 0 HD22 LEU A 16 -37.713 6.994 34.212 1.00 14.33 H new ATOM 0 HD23 LEU A 16 -37.337 7.674 35.813 1.00 14.33 H new ATOM 257 N LYS A 17 -32.843 6.764 32.312 1.00 64.21 N ATOM 258 CA LYS A 17 -32.314 6.975 30.951 1.00 21.32 C ATOM 259 C LYS A 17 -32.857 5.898 29.997 1.00 0.31 C ATOM 260 O LYS A 17 -32.151 5.467 29.085 1.00 21.31 O ATOM 261 CB LYS A 17 -30.748 6.961 30.958 1.00 54.03 C ATOM 262 CG LYS A 17 -30.112 5.670 31.545 1.00 73.34 C ATOM 263 CD LYS A 17 -28.599 5.535 31.240 1.00 2.14 C ATOM 264 CE LYS A 17 -27.780 6.755 31.675 1.00 61.14 C ATOM 265 NZ LYS A 17 -26.318 6.540 31.473 1.00 3.30 N ATOM 0 H LYS A 17 -33.265 5.845 32.448 1.00 64.21 H new ATOM 0 HA LYS A 17 -32.645 7.952 30.599 1.00 21.32 H new ATOM 0 HB2 LYS A 17 -30.393 7.092 29.936 1.00 54.03 H new ATOM 0 HB3 LYS A 17 -30.393 7.817 31.531 1.00 54.03 H new ATOM 0 HG2 LYS A 17 -30.260 5.660 32.625 1.00 73.34 H new ATOM 0 HG3 LYS A 17 -30.635 4.802 31.144 1.00 73.34 H new ATOM 0 HD2 LYS A 17 -28.212 4.649 31.743 1.00 2.14 H new ATOM 0 HD3 LYS A 17 -28.464 5.379 30.170 1.00 2.14 H new ATOM 0 HE2 LYS A 17 -28.101 7.629 31.108 1.00 61.14 H new ATOM 0 HE3 LYS A 17 -27.975 6.968 32.726 1.00 61.14 H new ATOM 0 HZ1 LYS A 17 -25.797 7.387 31.779 1.00 3.30 H new ATOM 0 HZ2 LYS A 17 -26.007 5.721 32.033 1.00 3.30 H new ATOM 0 HZ3 LYS A 17 -26.129 6.362 30.466 1.00 3.30 H new ATOM 279 N CYS A 18 -34.122 5.474 30.202 1.00 43.13 N ATOM 280 CA CYS A 18 -34.740 4.386 29.415 1.00 64.04 C ATOM 281 C CYS A 18 -34.739 4.711 27.895 1.00 11.31 C ATOM 282 O CYS A 18 -35.456 5.611 27.444 1.00 51.31 O ATOM 283 CB CYS A 18 -36.176 4.103 29.927 1.00 60.25 C ATOM 284 SG CYS A 18 -37.265 5.549 29.953 1.00 64.51 S ATOM 0 H CYS A 18 -34.739 5.872 30.911 1.00 43.13 H new ATOM 0 HA CYS A 18 -34.141 3.486 29.551 1.00 64.04 H new ATOM 0 HB2 CYS A 18 -36.627 3.336 29.298 1.00 60.25 H new ATOM 0 HB3 CYS A 18 -36.114 3.693 30.935 1.00 60.25 H new ATOM 0 HG CYS A 18 -37.048 6.275 28.896 1.00 64.51 H new ATOM 290 N ASP A 19 -33.882 3.995 27.135 1.00 71.44 N ATOM 291 CA ASP A 19 -33.713 4.187 25.674 1.00 44.42 C ATOM 292 C ASP A 19 -33.294 2.854 25.017 1.00 73.11 C ATOM 293 O ASP A 19 -33.245 1.821 25.690 1.00 75.23 O ATOM 294 CB ASP A 19 -32.671 5.314 25.377 1.00 4.30 C ATOM 295 CG ASP A 19 -31.195 4.897 25.571 1.00 1.00 C ATOM 296 OD1 ASP A 19 -30.739 4.799 26.724 1.00 51.43 O ATOM 297 OD2 ASP A 19 -30.477 4.680 24.565 1.00 1.13 O ATOM 0 H ASP A 19 -33.284 3.263 27.518 1.00 71.44 H new ATOM 0 HA ASP A 19 -34.665 4.501 25.247 1.00 44.42 H new ATOM 0 HB2 ASP A 19 -32.806 5.654 24.350 1.00 4.30 H new ATOM 0 HB3 ASP A 19 -32.882 6.165 26.025 1.00 4.30 H new ATOM 302 N VAL A 20 -32.996 2.872 23.702 1.00 64.24 N ATOM 303 CA VAL A 20 -32.629 1.650 22.943 1.00 13.42 C ATOM 304 C VAL A 20 -31.204 1.762 22.354 1.00 22.05 C ATOM 305 O VAL A 20 -30.807 2.821 21.858 1.00 70.32 O ATOM 306 CB VAL A 20 -33.678 1.349 21.801 1.00 12.43 C ATOM 307 CG1 VAL A 20 -35.087 1.099 22.393 1.00 51.11 C ATOM 308 CG2 VAL A 20 -33.724 2.478 20.746 1.00 65.04 C ATOM 0 H VAL A 20 -33.001 3.722 23.138 1.00 64.24 H new ATOM 0 HA VAL A 20 -32.641 0.816 23.644 1.00 13.42 H new ATOM 0 HB VAL A 20 -33.349 0.441 21.296 1.00 12.43 H new ATOM 0 HG11 VAL A 20 -35.790 0.894 21.585 1.00 51.11 H new ATOM 0 HG12 VAL A 20 -35.051 0.244 23.069 1.00 51.11 H new ATOM 0 HG13 VAL A 20 -35.413 1.982 22.942 1.00 51.11 H new ATOM 0 HG21 VAL A 20 -34.458 2.230 19.979 1.00 65.04 H new ATOM 0 HG22 VAL A 20 -34.004 3.415 21.228 1.00 65.04 H new ATOM 0 HG23 VAL A 20 -32.742 2.586 20.286 1.00 65.04 H new ATOM 318 N CYS A 21 -30.426 0.669 22.444 1.00 31.50 N ATOM 319 CA CYS A 21 -29.090 0.567 21.814 1.00 53.22 C ATOM 320 C CYS A 21 -29.208 -0.054 20.401 1.00 60.14 C ATOM 321 O CYS A 21 -30.315 -0.369 19.947 1.00 70.25 O ATOM 322 CB CYS A 21 -28.160 -0.285 22.710 1.00 64.13 C ATOM 323 SG CYS A 21 -28.738 -1.978 22.987 1.00 60.14 S ATOM 0 H CYS A 21 -30.702 -0.170 22.954 1.00 31.50 H new ATOM 0 HA CYS A 21 -28.664 1.565 21.710 1.00 53.22 H new ATOM 0 HB2 CYS A 21 -27.170 -0.321 22.255 1.00 64.13 H new ATOM 0 HB3 CYS A 21 -28.050 0.211 23.674 1.00 64.13 H new ATOM 0 HG CYS A 21 -27.890 -2.607 23.746 1.00 60.14 H new ATOM 329 N GLY A 22 -28.064 -0.228 19.711 1.00 55.25 N ATOM 330 CA GLY A 22 -28.046 -0.800 18.355 1.00 52.32 C ATOM 331 C GLY A 22 -26.662 -1.274 17.969 1.00 4.44 C ATOM 332 O GLY A 22 -26.118 -0.887 16.927 1.00 42.04 O ATOM 0 H GLY A 22 -27.143 0.020 20.072 1.00 55.25 H new ATOM 0 HA2 GLY A 22 -28.745 -1.635 18.302 1.00 52.32 H new ATOM 0 HA3 GLY A 22 -28.388 -0.052 17.639 1.00 52.32 H new ATOM 336 N MET A 23 -26.096 -2.127 18.830 1.00 74.43 N ATOM 337 CA MET A 23 -24.718 -2.627 18.696 1.00 61.03 C ATOM 338 C MET A 23 -24.618 -3.689 17.577 1.00 40.05 C ATOM 339 O MET A 23 -25.217 -4.770 17.673 1.00 30.14 O ATOM 340 CB MET A 23 -24.221 -3.211 20.054 1.00 63.54 C ATOM 341 CG MET A 23 -24.233 -2.202 21.220 1.00 21.11 C ATOM 342 SD MET A 23 -23.640 -2.901 22.778 1.00 64.20 S ATOM 343 CE MET A 23 -23.892 -1.525 23.911 1.00 4.24 C ATOM 0 H MET A 23 -26.583 -2.494 19.647 1.00 74.43 H new ATOM 0 HA MET A 23 -24.077 -1.790 18.420 1.00 61.03 H new ATOM 0 HB2 MET A 23 -24.846 -4.064 20.320 1.00 63.54 H new ATOM 0 HB3 MET A 23 -23.206 -3.587 19.925 1.00 63.54 H new ATOM 0 HG2 MET A 23 -23.614 -1.345 20.956 1.00 21.11 H new ATOM 0 HG3 MET A 23 -25.248 -1.831 21.360 1.00 21.11 H new ATOM 0 HE1 MET A 23 -23.569 -1.814 24.911 1.00 4.24 H new ATOM 0 HE2 MET A 23 -23.310 -0.666 23.576 1.00 4.24 H new ATOM 0 HE3 MET A 23 -24.949 -1.261 23.933 1.00 4.24 H new ATOM 353 N VAL A 24 -23.868 -3.346 16.512 1.00 4.41 N ATOM 354 CA VAL A 24 -23.603 -4.233 15.366 1.00 43.25 C ATOM 355 C VAL A 24 -22.226 -3.893 14.745 1.00 22.42 C ATOM 356 O VAL A 24 -21.921 -2.721 14.483 1.00 62.23 O ATOM 357 CB VAL A 24 -24.753 -4.155 14.283 1.00 65.41 C ATOM 358 CG1 VAL A 24 -25.018 -2.702 13.816 1.00 51.35 C ATOM 359 CG2 VAL A 24 -24.478 -5.099 13.081 1.00 42.22 C ATOM 0 H VAL A 24 -23.424 -2.432 16.424 1.00 4.41 H new ATOM 0 HA VAL A 24 -23.582 -5.260 15.729 1.00 43.25 H new ATOM 0 HB VAL A 24 -25.664 -4.504 14.769 1.00 65.41 H new ATOM 0 HG11 VAL A 24 -25.815 -2.698 13.073 1.00 51.35 H new ATOM 0 HG12 VAL A 24 -25.315 -2.094 14.670 1.00 51.35 H new ATOM 0 HG13 VAL A 24 -24.110 -2.290 13.376 1.00 51.35 H new ATOM 0 HG21 VAL A 24 -25.291 -5.016 12.360 1.00 42.22 H new ATOM 0 HG22 VAL A 24 -23.539 -4.817 12.604 1.00 42.22 H new ATOM 0 HG23 VAL A 24 -24.410 -6.128 13.434 1.00 42.22 H new ATOM 369 N CYS A 25 -21.385 -4.924 14.554 1.00 5.42 N ATOM 370 CA CYS A 25 -20.052 -4.786 13.942 1.00 1.51 C ATOM 371 C CYS A 25 -19.723 -6.078 13.175 1.00 4.05 C ATOM 372 O CYS A 25 -19.590 -7.146 13.785 1.00 70.32 O ATOM 373 CB CYS A 25 -18.973 -4.508 15.019 1.00 2.50 C ATOM 374 SG CYS A 25 -19.245 -3.003 15.985 1.00 31.02 S ATOM 0 H CYS A 25 -21.612 -5.882 14.821 1.00 5.42 H new ATOM 0 HA CYS A 25 -20.058 -3.939 13.255 1.00 1.51 H new ATOM 0 HB2 CYS A 25 -18.930 -5.358 15.700 1.00 2.50 H new ATOM 0 HB3 CYS A 25 -18.000 -4.441 14.531 1.00 2.50 H new ATOM 0 HG CYS A 25 -20.297 -2.384 15.537 1.00 31.02 H new ATOM 380 N ILE A 26 -19.629 -5.971 11.842 1.00 40.44 N ATOM 381 CA ILE A 26 -19.306 -7.096 10.950 1.00 60.43 C ATOM 382 C ILE A 26 -18.811 -6.554 9.595 1.00 45.21 C ATOM 383 O ILE A 26 -19.409 -5.626 9.032 1.00 52.31 O ATOM 384 CB ILE A 26 -20.545 -8.073 10.749 1.00 31.12 C ATOM 385 CG1 ILE A 26 -20.188 -9.238 9.771 1.00 71.24 C ATOM 386 CG2 ILE A 26 -21.812 -7.308 10.290 1.00 72.51 C ATOM 387 CD1 ILE A 26 -21.298 -10.250 9.529 1.00 41.51 C ATOM 0 H ILE A 26 -19.777 -5.092 11.347 1.00 40.44 H new ATOM 0 HA ILE A 26 -18.515 -7.683 11.417 1.00 60.43 H new ATOM 0 HB ILE A 26 -20.776 -8.514 11.718 1.00 31.12 H new ATOM 0 HG12 ILE A 26 -19.896 -8.809 8.813 1.00 71.24 H new ATOM 0 HG13 ILE A 26 -19.318 -9.765 10.163 1.00 71.24 H new ATOM 0 HG21 ILE A 26 -22.636 -8.011 10.164 1.00 72.51 H new ATOM 0 HG22 ILE A 26 -22.081 -6.565 11.041 1.00 72.51 H new ATOM 0 HG23 ILE A 26 -21.612 -6.809 9.342 1.00 72.51 H new ATOM 0 HD11 ILE A 26 -20.948 -11.016 8.837 1.00 41.51 H new ATOM 0 HD12 ILE A 26 -21.578 -10.716 10.474 1.00 41.51 H new ATOM 0 HD13 ILE A 26 -22.165 -9.745 9.103 1.00 41.51 H new ATOM 399 N GLY A 27 -17.702 -7.127 9.084 1.00 24.23 N ATOM 400 CA GLY A 27 -17.155 -6.742 7.777 1.00 24.34 C ATOM 401 C GLY A 27 -18.050 -7.188 6.611 1.00 43.31 C ATOM 402 O GLY A 27 -18.784 -8.179 6.752 1.00 2.23 O ATOM 0 H GLY A 27 -17.172 -7.857 9.560 1.00 24.23 H new ATOM 0 HA2 GLY A 27 -17.032 -5.660 7.743 1.00 24.34 H new ATOM 0 HA3 GLY A 27 -16.164 -7.180 7.658 1.00 24.34 H new ATOM 406 N PRO A 28 -18.013 -6.493 5.425 1.00 0.23 N ATOM 407 CA PRO A 28 -18.878 -6.844 4.260 1.00 51.51 C ATOM 408 C PRO A 28 -18.561 -8.241 3.678 1.00 4.04 C ATOM 409 O PRO A 28 -17.586 -8.874 4.079 1.00 73.53 O ATOM 410 CB PRO A 28 -18.578 -5.710 3.239 1.00 71.24 C ATOM 411 CG PRO A 28 -17.220 -5.192 3.620 1.00 73.53 C ATOM 412 CD PRO A 28 -17.139 -5.322 5.129 1.00 33.31 C ATOM 0 HA PRO A 28 -19.931 -6.910 4.532 1.00 51.51 H new ATOM 0 HB2 PRO A 28 -18.584 -6.088 2.217 1.00 71.24 H new ATOM 0 HB3 PRO A 28 -19.330 -4.922 3.292 1.00 71.24 H new ATOM 0 HG2 PRO A 28 -16.431 -5.767 3.135 1.00 73.53 H new ATOM 0 HG3 PRO A 28 -17.095 -4.155 3.309 1.00 73.53 H new ATOM 0 HD2 PRO A 28 -16.115 -5.491 5.463 1.00 33.31 H new ATOM 0 HD3 PRO A 28 -17.493 -4.420 5.629 1.00 33.31 H new ATOM 420 N ASN A 29 -19.401 -8.710 2.735 1.00 64.43 N ATOM 421 CA ASN A 29 -19.212 -10.019 2.051 1.00 54.53 C ATOM 422 C ASN A 29 -18.573 -9.812 0.660 1.00 22.21 C ATOM 423 O ASN A 29 -18.828 -10.572 -0.290 1.00 3.11 O ATOM 424 CB ASN A 29 -20.574 -10.784 1.953 1.00 20.22 C ATOM 425 CG ASN A 29 -21.097 -11.295 3.307 1.00 72.33 C ATOM 426 OD1 ASN A 29 -20.877 -10.678 4.352 1.00 3.35 O ATOM 427 ND2 ASN A 29 -21.779 -12.441 3.304 1.00 42.22 N ATOM 0 H ASN A 29 -20.228 -8.201 2.422 1.00 64.43 H new ATOM 0 HA ASN A 29 -18.530 -10.632 2.640 1.00 54.53 H new ATOM 0 HB2 ASN A 29 -21.320 -10.124 1.511 1.00 20.22 H new ATOM 0 HB3 ASN A 29 -20.457 -11.630 1.276 1.00 20.22 H new ATOM 0 HD21 ASN A 29 -22.132 -12.827 4.180 1.00 42.22 H new ATOM 0 HD22 ASN A 29 -21.947 -12.932 2.426 1.00 42.22 H new ATOM 434 N VAL A 30 -17.687 -8.796 0.577 1.00 62.33 N ATOM 435 CA VAL A 30 -16.941 -8.440 -0.652 1.00 65.13 C ATOM 436 C VAL A 30 -16.029 -9.583 -1.147 1.00 2.24 C ATOM 437 O VAL A 30 -15.737 -9.662 -2.335 1.00 61.20 O ATOM 438 CB VAL A 30 -16.081 -7.137 -0.432 1.00 64.44 C ATOM 439 CG1 VAL A 30 -16.983 -5.902 -0.227 1.00 75.31 C ATOM 440 CG2 VAL A 30 -15.094 -7.308 0.751 1.00 21.13 C ATOM 0 H VAL A 30 -17.466 -8.193 1.369 1.00 62.33 H new ATOM 0 HA VAL A 30 -17.691 -8.257 -1.421 1.00 65.13 H new ATOM 0 HB VAL A 30 -15.492 -6.974 -1.335 1.00 64.44 H new ATOM 0 HG11 VAL A 30 -16.362 -5.019 -0.078 1.00 75.31 H new ATOM 0 HG12 VAL A 30 -17.611 -5.760 -1.107 1.00 75.31 H new ATOM 0 HG13 VAL A 30 -17.614 -6.054 0.649 1.00 75.31 H new ATOM 0 HG21 VAL A 30 -14.515 -6.393 0.877 1.00 21.13 H new ATOM 0 HG22 VAL A 30 -15.653 -7.513 1.664 1.00 21.13 H new ATOM 0 HG23 VAL A 30 -14.419 -8.138 0.544 1.00 21.13 H new ATOM 450 N LEU A 31 -15.582 -10.445 -0.213 1.00 25.24 N ATOM 451 CA LEU A 31 -14.713 -11.610 -0.493 1.00 1.05 C ATOM 452 C LEU A 31 -15.339 -12.518 -1.566 1.00 34.14 C ATOM 453 O LEU A 31 -14.646 -12.967 -2.488 1.00 63.13 O ATOM 454 CB LEU A 31 -14.474 -12.375 0.846 1.00 53.44 C ATOM 455 CG LEU A 31 -13.378 -13.504 0.896 1.00 65.44 C ATOM 456 CD1 LEU A 31 -12.901 -13.728 2.346 1.00 72.10 C ATOM 457 CD2 LEU A 31 -13.880 -14.843 0.309 1.00 1.55 C ATOM 0 H LEU A 31 -15.818 -10.352 0.775 1.00 25.24 H new ATOM 0 HA LEU A 31 -13.755 -11.276 -0.892 1.00 1.05 H new ATOM 0 HB2 LEU A 31 -14.220 -11.636 1.606 1.00 53.44 H new ATOM 0 HB3 LEU A 31 -15.422 -12.824 1.142 1.00 53.44 H new ATOM 0 HG LEU A 31 -12.547 -13.161 0.279 1.00 65.44 H new ATOM 0 HD11 LEU A 31 -12.144 -14.512 2.363 1.00 72.10 H new ATOM 0 HD12 LEU A 31 -12.475 -12.803 2.736 1.00 72.10 H new ATOM 0 HD13 LEU A 31 -13.747 -14.027 2.965 1.00 72.10 H new ATOM 0 HD21 LEU A 31 -13.085 -15.587 0.368 1.00 1.55 H new ATOM 0 HD22 LEU A 31 -14.743 -15.189 0.878 1.00 1.55 H new ATOM 0 HD23 LEU A 31 -14.166 -14.699 -0.733 1.00 1.55 H new ATOM 469 N MET A 32 -16.661 -12.749 -1.444 1.00 70.33 N ATOM 470 CA MET A 32 -17.399 -13.625 -2.366 1.00 25.43 C ATOM 471 C MET A 32 -17.408 -13.018 -3.779 1.00 2.33 C ATOM 472 O MET A 32 -17.047 -13.680 -4.752 1.00 54.14 O ATOM 473 CB MET A 32 -18.855 -13.842 -1.879 1.00 73.31 C ATOM 474 CG MET A 32 -19.008 -14.321 -0.433 1.00 33.42 C ATOM 475 SD MET A 32 -20.710 -14.810 -0.041 1.00 15.21 S ATOM 476 CE MET A 32 -21.687 -13.405 -0.606 1.00 25.22 C ATOM 0 H MET A 32 -17.239 -12.337 -0.711 1.00 70.33 H new ATOM 0 HA MET A 32 -16.896 -14.591 -2.391 1.00 25.43 H new ATOM 0 HB2 MET A 32 -19.399 -12.904 -1.991 1.00 73.31 H new ATOM 0 HB3 MET A 32 -19.333 -14.569 -2.535 1.00 73.31 H new ATOM 0 HG2 MET A 32 -18.342 -15.166 -0.261 1.00 33.42 H new ATOM 0 HG3 MET A 32 -18.696 -13.526 0.245 1.00 33.42 H new ATOM 0 HE1 MET A 32 -22.485 -13.206 0.109 1.00 25.22 H new ATOM 0 HE2 MET A 32 -21.047 -12.527 -0.689 1.00 25.22 H new ATOM 0 HE3 MET A 32 -22.121 -13.632 -1.580 1.00 25.22 H new ATOM 486 N VAL A 33 -17.781 -11.727 -3.847 1.00 21.21 N ATOM 487 CA VAL A 33 -17.882 -10.963 -5.106 1.00 31.44 C ATOM 488 C VAL A 33 -16.499 -10.856 -5.795 1.00 11.45 C ATOM 489 O VAL A 33 -16.395 -10.921 -7.026 1.00 43.12 O ATOM 490 CB VAL A 33 -18.467 -9.523 -4.825 1.00 71.41 C ATOM 491 CG1 VAL A 33 -18.676 -8.714 -6.128 1.00 23.45 C ATOM 492 CG2 VAL A 33 -19.781 -9.608 -4.008 1.00 23.50 C ATOM 0 H VAL A 33 -18.023 -11.179 -3.022 1.00 21.21 H new ATOM 0 HA VAL A 33 -18.558 -11.493 -5.777 1.00 31.44 H new ATOM 0 HB VAL A 33 -17.727 -8.987 -4.230 1.00 71.41 H new ATOM 0 HG11 VAL A 33 -19.080 -7.731 -5.885 1.00 23.45 H new ATOM 0 HG12 VAL A 33 -17.721 -8.598 -6.641 1.00 23.45 H new ATOM 0 HG13 VAL A 33 -19.374 -9.243 -6.777 1.00 23.45 H new ATOM 0 HG21 VAL A 33 -20.163 -8.603 -3.828 1.00 23.50 H new ATOM 0 HG22 VAL A 33 -20.520 -10.183 -4.566 1.00 23.50 H new ATOM 0 HG23 VAL A 33 -19.585 -10.098 -3.054 1.00 23.50 H new ATOM 502 N HIS A 34 -15.452 -10.740 -4.961 1.00 63.15 N ATOM 503 CA HIS A 34 -14.043 -10.613 -5.389 1.00 11.15 C ATOM 504 C HIS A 34 -13.564 -11.904 -6.079 1.00 53.05 C ATOM 505 O HIS A 34 -12.932 -11.857 -7.142 1.00 3.11 O ATOM 506 CB HIS A 34 -13.167 -10.287 -4.144 1.00 55.10 C ATOM 507 CG HIS A 34 -11.706 -10.005 -4.406 1.00 34.41 C ATOM 508 ND1 HIS A 34 -11.174 -8.731 -4.387 1.00 30.44 N ATOM 509 CD2 HIS A 34 -10.654 -10.836 -4.611 1.00 23.32 C ATOM 510 CE1 HIS A 34 -9.871 -8.798 -4.570 1.00 15.13 C ATOM 511 NE2 HIS A 34 -9.534 -10.063 -4.702 1.00 44.22 N ATOM 0 H HIS A 34 -15.561 -10.731 -3.947 1.00 63.15 H new ATOM 0 HA HIS A 34 -13.953 -9.804 -6.114 1.00 11.15 H new ATOM 0 HB2 HIS A 34 -13.597 -9.421 -3.641 1.00 55.10 H new ATOM 0 HB3 HIS A 34 -13.234 -11.125 -3.450 1.00 55.10 H new ATOM 0 HD2 HIS A 34 -10.696 -11.912 -4.688 1.00 23.32 H new ATOM 0 HE1 HIS A 34 -9.194 -7.957 -4.606 1.00 15.13 H new ATOM 0 HE2 HIS A 34 -8.586 -10.410 -4.849 1.00 44.22 H new ATOM 520 N LYS A 35 -13.871 -13.055 -5.455 1.00 33.04 N ATOM 521 CA LYS A 35 -13.537 -14.375 -6.011 1.00 33.41 C ATOM 522 C LYS A 35 -14.359 -14.651 -7.285 1.00 13.42 C ATOM 523 O LYS A 35 -13.854 -15.248 -8.244 1.00 63.04 O ATOM 524 CB LYS A 35 -13.779 -15.490 -4.960 1.00 45.43 C ATOM 525 CG LYS A 35 -12.821 -15.458 -3.746 1.00 71.22 C ATOM 526 CD LYS A 35 -12.987 -16.706 -2.837 1.00 70.40 C ATOM 527 CE LYS A 35 -12.648 -18.018 -3.571 1.00 54.23 C ATOM 528 NZ LYS A 35 -12.758 -19.212 -2.686 1.00 43.12 N ATOM 0 H LYS A 35 -14.354 -13.095 -4.558 1.00 33.04 H new ATOM 0 HA LYS A 35 -12.479 -14.375 -6.275 1.00 33.41 H new ATOM 0 HB2 LYS A 35 -14.804 -15.412 -4.598 1.00 45.43 H new ATOM 0 HB3 LYS A 35 -13.688 -16.459 -5.451 1.00 45.43 H new ATOM 0 HG2 LYS A 35 -11.791 -15.402 -4.099 1.00 71.22 H new ATOM 0 HG3 LYS A 35 -13.007 -14.557 -3.161 1.00 71.22 H new ATOM 0 HD2 LYS A 35 -12.342 -16.604 -1.964 1.00 70.40 H new ATOM 0 HD3 LYS A 35 -14.013 -16.752 -2.472 1.00 70.40 H new ATOM 0 HE2 LYS A 35 -13.318 -18.138 -4.422 1.00 54.23 H new ATOM 0 HE3 LYS A 35 -11.635 -17.957 -3.969 1.00 54.23 H new ATOM 0 HZ1 LYS A 35 -12.520 -20.068 -3.227 1.00 43.12 H new ATOM 0 HZ2 LYS A 35 -12.100 -19.113 -1.887 1.00 43.12 H new ATOM 0 HZ3 LYS A 35 -13.731 -19.289 -2.326 1.00 43.12 H new ATOM 542 N ARG A 36 -15.614 -14.170 -7.288 1.00 44.33 N ATOM 543 CA ARG A 36 -16.557 -14.373 -8.399 1.00 33.12 C ATOM 544 C ARG A 36 -16.169 -13.506 -9.618 1.00 52.44 C ATOM 545 O ARG A 36 -16.533 -13.819 -10.762 1.00 45.33 O ATOM 546 CB ARG A 36 -18.004 -14.075 -7.919 1.00 43.33 C ATOM 547 CG ARG A 36 -19.114 -14.514 -8.898 1.00 72.02 C ATOM 548 CD ARG A 36 -20.528 -14.364 -8.307 1.00 1.11 C ATOM 549 NE ARG A 36 -20.728 -15.199 -7.109 1.00 0.33 N ATOM 550 CZ ARG A 36 -21.913 -15.444 -6.519 1.00 32.34 C ATOM 551 NH1 ARG A 36 -23.050 -14.920 -6.994 1.00 35.20 N ATOM 552 NH2 ARG A 36 -21.939 -16.203 -5.433 1.00 45.12 N ATOM 0 H ARG A 36 -16.003 -13.628 -6.517 1.00 44.33 H new ATOM 0 HA ARG A 36 -16.511 -15.413 -8.721 1.00 33.12 H new ATOM 0 HB2 ARG A 36 -18.164 -14.573 -6.963 1.00 43.33 H new ATOM 0 HB3 ARG A 36 -18.099 -13.004 -7.740 1.00 43.33 H new ATOM 0 HG2 ARG A 36 -19.042 -13.922 -9.810 1.00 72.02 H new ATOM 0 HG3 ARG A 36 -18.952 -15.554 -9.180 1.00 72.02 H new ATOM 0 HD2 ARG A 36 -20.703 -13.319 -8.051 1.00 1.11 H new ATOM 0 HD3 ARG A 36 -21.265 -14.635 -9.063 1.00 1.11 H new ATOM 0 HE ARG A 36 -19.901 -15.626 -6.693 1.00 0.33 H new ATOM 0 HH11 ARG A 36 -23.030 -14.321 -7.820 1.00 35.20 H new ATOM 0 HH12 ARG A 36 -23.936 -15.120 -6.530 1.00 35.20 H new ATOM 0 HH21 ARG A 36 -21.072 -16.589 -5.060 1.00 45.12 H new ATOM 0 HH22 ARG A 36 -22.826 -16.401 -4.970 1.00 45.12 H new ATOM 566 N SER A 37 -15.407 -12.423 -9.363 1.00 41.22 N ATOM 567 CA SER A 37 -14.794 -11.607 -10.427 1.00 11.24 C ATOM 568 C SER A 37 -13.762 -12.439 -11.224 1.00 63.41 C ATOM 569 O SER A 37 -13.622 -12.281 -12.438 1.00 24.34 O ATOM 570 CB SER A 37 -14.101 -10.361 -9.823 1.00 23.43 C ATOM 571 OG SER A 37 -15.000 -9.580 -9.051 1.00 5.15 O ATOM 0 H SER A 37 -15.201 -12.092 -8.420 1.00 41.22 H new ATOM 0 HA SER A 37 -15.586 -11.282 -11.102 1.00 11.24 H new ATOM 0 HB2 SER A 37 -13.265 -10.677 -9.198 1.00 23.43 H new ATOM 0 HB3 SER A 37 -13.686 -9.751 -10.626 1.00 23.43 H new ATOM 0 HG SER A 37 -15.395 -10.136 -8.348 1.00 5.15 H new ATOM 577 N HIS A 38 -13.053 -13.337 -10.512 1.00 33.23 N ATOM 578 CA HIS A 38 -11.926 -14.106 -11.075 1.00 52.25 C ATOM 579 C HIS A 38 -12.382 -15.469 -11.655 1.00 50.34 C ATOM 580 O HIS A 38 -11.588 -16.177 -12.285 1.00 63.14 O ATOM 581 CB HIS A 38 -10.833 -14.291 -9.986 1.00 52.21 C ATOM 582 CG HIS A 38 -9.509 -14.799 -10.512 1.00 33.34 C ATOM 583 ND1 HIS A 38 -8.967 -16.012 -10.154 1.00 13.03 N ATOM 584 CD2 HIS A 38 -8.626 -14.237 -11.377 1.00 10.33 C ATOM 585 CE1 HIS A 38 -7.813 -16.174 -10.769 1.00 44.41 C ATOM 586 NE2 HIS A 38 -7.586 -15.111 -11.514 1.00 31.30 N ATOM 0 H HIS A 38 -13.245 -13.549 -9.533 1.00 33.23 H new ATOM 0 HA HIS A 38 -11.508 -13.543 -11.910 1.00 52.25 H new ATOM 0 HB2 HIS A 38 -10.670 -13.336 -9.486 1.00 52.21 H new ATOM 0 HB3 HIS A 38 -11.202 -14.986 -9.232 1.00 52.21 H new ATOM 0 HD2 HIS A 38 -8.727 -13.279 -11.865 1.00 10.33 H new ATOM 0 HE1 HIS A 38 -7.164 -17.032 -10.678 1.00 44.41 H new ATOM 0 HE2 HIS A 38 -6.764 -14.964 -12.100 1.00 31.30 H new ATOM 595 N THR A 39 -13.667 -15.824 -11.448 1.00 54.33 N ATOM 596 CA THR A 39 -14.256 -17.071 -11.997 1.00 32.44 C ATOM 597 C THR A 39 -14.851 -16.854 -13.415 1.00 24.53 C ATOM 598 O THR A 39 -15.685 -17.648 -13.865 1.00 31.11 O ATOM 599 CB THR A 39 -15.346 -17.649 -11.027 1.00 60.41 C ATOM 600 OG1 THR A 39 -16.348 -16.653 -10.750 1.00 21.31 O ATOM 601 CG2 THR A 39 -14.732 -18.141 -9.701 1.00 41.32 C ATOM 0 H THR A 39 -14.322 -15.264 -10.902 1.00 54.33 H new ATOM 0 HA THR A 39 -13.448 -17.797 -12.086 1.00 32.44 H new ATOM 0 HB THR A 39 -15.803 -18.503 -11.527 1.00 60.41 H new ATOM 0 HG1 THR A 39 -17.022 -17.027 -10.145 1.00 21.31 H new ATOM 0 HG21 THR A 39 -15.520 -18.533 -9.058 1.00 41.32 H new ATOM 0 HG22 THR A 39 -14.006 -18.928 -9.906 1.00 41.32 H new ATOM 0 HG23 THR A 39 -14.235 -17.310 -9.200 1.00 41.32 H new ATOM 609 N GLY A 40 -14.391 -15.799 -14.119 1.00 54.41 N ATOM 610 CA GLY A 40 -14.847 -15.501 -15.482 1.00 72.44 C ATOM 611 C GLY A 40 -14.130 -16.335 -16.548 1.00 12.43 C ATOM 612 O GLY A 40 -13.937 -17.542 -16.374 1.00 71.13 O ATOM 0 H GLY A 40 -13.701 -15.140 -13.759 1.00 54.41 H new ATOM 0 HA2 GLY A 40 -15.920 -15.682 -15.548 1.00 72.44 H new ATOM 0 HA3 GLY A 40 -14.689 -14.443 -15.689 1.00 72.44 H new ATOM 616 N GLU A 41 -13.746 -15.689 -17.661 1.00 44.24 N ATOM 617 CA GLU A 41 -13.043 -16.349 -18.785 1.00 10.30 C ATOM 618 C GLU A 41 -11.514 -16.306 -18.582 1.00 15.20 C ATOM 619 O GLU A 41 -11.023 -15.793 -17.566 1.00 54.42 O ATOM 620 CB GLU A 41 -13.467 -15.686 -20.137 1.00 11.30 C ATOM 621 CG GLU A 41 -14.774 -16.250 -20.761 1.00 4.31 C ATOM 622 CD GLU A 41 -16.005 -16.207 -19.835 1.00 32.02 C ATOM 623 OE1 GLU A 41 -16.617 -15.129 -19.701 1.00 12.42 O ATOM 624 OE2 GLU A 41 -16.360 -17.245 -19.232 1.00 74.21 O ATOM 0 H GLU A 41 -13.912 -14.694 -17.812 1.00 44.24 H new ATOM 0 HA GLU A 41 -13.330 -17.400 -18.816 1.00 10.30 H new ATOM 0 HB2 GLU A 41 -13.591 -14.615 -19.977 1.00 11.30 H new ATOM 0 HB3 GLU A 41 -12.656 -15.809 -20.855 1.00 11.30 H new ATOM 0 HG2 GLU A 41 -14.999 -15.688 -21.667 1.00 4.31 H new ATOM 0 HG3 GLU A 41 -14.600 -17.283 -21.062 1.00 4.31 H new ATOM 631 N ARG A 42 -10.774 -16.892 -19.551 1.00 55.14 N ATOM 632 CA ARG A 42 -9.301 -16.901 -19.551 1.00 72.41 C ATOM 633 C ARG A 42 -8.767 -15.454 -19.722 1.00 33.13 C ATOM 634 O ARG A 42 -9.163 -14.765 -20.686 1.00 41.24 O ATOM 635 CB ARG A 42 -8.745 -17.770 -20.715 1.00 0.31 C ATOM 636 CG ARG A 42 -9.233 -19.239 -20.762 1.00 30.32 C ATOM 637 CD ARG A 42 -8.903 -19.892 -22.125 1.00 11.32 C ATOM 638 NE ARG A 42 -9.484 -19.107 -23.235 1.00 25.52 N ATOM 639 CZ ARG A 42 -9.077 -19.123 -24.519 1.00 43.22 C ATOM 640 NH1 ARG A 42 -8.066 -19.905 -24.917 1.00 11.01 N ATOM 641 NH2 ARG A 42 -9.659 -18.305 -25.391 1.00 12.24 N ATOM 0 H ARG A 42 -11.185 -17.370 -20.353 1.00 55.14 H new ATOM 0 HA ARG A 42 -8.971 -17.321 -18.601 1.00 72.41 H new ATOM 0 HB2 ARG A 42 -9.009 -17.290 -21.658 1.00 0.31 H new ATOM 0 HB3 ARG A 42 -7.657 -17.772 -20.652 1.00 0.31 H new ATOM 0 HG2 ARG A 42 -8.763 -19.807 -19.960 1.00 30.32 H new ATOM 0 HG3 ARG A 42 -10.309 -19.274 -20.589 1.00 30.32 H new ATOM 0 HD2 ARG A 42 -7.822 -19.961 -22.249 1.00 11.32 H new ATOM 0 HD3 ARG A 42 -9.292 -20.910 -22.150 1.00 11.32 H new ATOM 0 HE ARG A 42 -10.268 -18.495 -23.007 1.00 25.52 H new ATOM 0 HH11 ARG A 42 -7.588 -20.504 -24.243 1.00 11.01 H new ATOM 0 HH12 ARG A 42 -7.773 -19.902 -25.894 1.00 11.01 H new ATOM 0 HH21 ARG A 42 -10.402 -17.677 -25.084 1.00 12.24 H new ATOM 0 HH22 ARG A 42 -9.362 -18.305 -26.367 1.00 12.24 H new ATOM 655 N PRO A 43 -7.902 -14.951 -18.791 1.00 72.51 N ATOM 656 CA PRO A 43 -7.177 -13.688 -18.997 1.00 72.03 C ATOM 657 C PRO A 43 -6.119 -13.871 -20.094 1.00 33.41 C ATOM 658 O PRO A 43 -5.165 -14.648 -19.912 1.00 64.33 O ATOM 659 CB PRO A 43 -6.542 -13.383 -17.604 1.00 15.34 C ATOM 660 CG PRO A 43 -7.224 -14.327 -16.650 1.00 73.00 C ATOM 661 CD PRO A 43 -7.581 -15.546 -17.472 1.00 73.42 C ATOM 0 HA PRO A 43 -7.810 -12.866 -19.331 1.00 72.03 H new ATOM 0 HB2 PRO A 43 -5.464 -13.546 -17.617 1.00 15.34 H new ATOM 0 HB3 PRO A 43 -6.704 -12.345 -17.315 1.00 15.34 H new ATOM 0 HG2 PRO A 43 -6.566 -14.591 -15.822 1.00 73.00 H new ATOM 0 HG3 PRO A 43 -8.114 -13.871 -16.217 1.00 73.00 H new ATOM 0 HD2 PRO A 43 -6.753 -16.252 -17.534 1.00 73.42 H new ATOM 0 HD3 PRO A 43 -8.429 -16.086 -17.052 1.00 73.42 H new ATOM 669 N PHE A 44 -6.360 -13.227 -21.254 1.00 21.14 N ATOM 670 CA PHE A 44 -5.421 -13.207 -22.389 1.00 31.12 C ATOM 671 C PHE A 44 -4.019 -12.814 -21.902 1.00 24.12 C ATOM 672 O PHE A 44 -3.899 -11.840 -21.211 1.00 64.04 O ATOM 673 CB PHE A 44 -5.913 -12.209 -23.475 1.00 72.34 C ATOM 674 CG PHE A 44 -7.195 -12.637 -24.177 1.00 0.44 C ATOM 675 CD1 PHE A 44 -7.153 -13.508 -25.262 1.00 25.55 C ATOM 676 CD2 PHE A 44 -8.437 -12.165 -23.759 1.00 63.43 C ATOM 677 CE1 PHE A 44 -8.310 -13.894 -25.903 1.00 71.42 C ATOM 678 CE2 PHE A 44 -9.594 -12.548 -24.401 1.00 42.32 C ATOM 679 CZ PHE A 44 -9.534 -13.413 -25.473 1.00 72.12 C ATOM 0 H PHE A 44 -7.218 -12.703 -21.429 1.00 21.14 H new ATOM 0 HA PHE A 44 -5.375 -14.204 -22.828 1.00 31.12 H new ATOM 0 HB2 PHE A 44 -6.072 -11.235 -23.013 1.00 72.34 H new ATOM 0 HB3 PHE A 44 -5.128 -12.083 -24.220 1.00 72.34 H new ATOM 0 HD1 PHE A 44 -6.201 -13.886 -25.606 1.00 25.55 H new ATOM 0 HD2 PHE A 44 -8.494 -11.489 -22.919 1.00 63.43 H new ATOM 0 HE1 PHE A 44 -8.261 -14.573 -26.742 1.00 71.42 H new ATOM 0 HE2 PHE A 44 -10.548 -12.171 -24.065 1.00 42.32 H new ATOM 0 HZ PHE A 44 -10.441 -13.715 -25.976 1.00 72.12 H new ATOM 689 N HIS A 45 -2.975 -13.592 -22.219 1.00 63.35 N ATOM 690 CA HIS A 45 -1.629 -13.382 -21.610 1.00 72.45 C ATOM 691 C HIS A 45 -0.506 -13.538 -22.644 1.00 75.32 C ATOM 692 O HIS A 45 -0.638 -14.312 -23.594 1.00 10.12 O ATOM 693 CB HIS A 45 -1.433 -14.357 -20.413 1.00 53.01 C ATOM 694 CG HIS A 45 -1.658 -15.813 -20.741 1.00 1.03 C ATOM 695 ND1 HIS A 45 -2.862 -16.444 -20.527 1.00 3.23 N ATOM 696 CD2 HIS A 45 -0.833 -16.758 -21.262 1.00 0.42 C ATOM 697 CE1 HIS A 45 -2.771 -17.703 -20.897 1.00 41.34 C ATOM 698 NE2 HIS A 45 -1.552 -17.919 -21.349 1.00 71.54 N ATOM 0 H HIS A 45 -3.021 -14.365 -22.883 1.00 63.35 H new ATOM 0 HA HIS A 45 -1.577 -12.358 -21.241 1.00 72.45 H new ATOM 0 HB2 HIS A 45 -0.420 -14.238 -20.027 1.00 53.01 H new ATOM 0 HB3 HIS A 45 -2.115 -14.070 -19.613 1.00 53.01 H new ATOM 0 HD1 HIS A 45 -3.697 -16.003 -20.141 1.00 3.23 H new ATOM 0 HD2 HIS A 45 0.198 -16.619 -21.553 1.00 0.42 H new ATOM 0 HE1 HIS A 45 -3.562 -18.436 -20.840 1.00 41.34 H new ATOM 707 N CYS A 46 0.614 -12.814 -22.424 1.00 72.20 N ATOM 708 CA CYS A 46 1.751 -12.736 -23.376 1.00 23.44 C ATOM 709 C CYS A 46 2.524 -14.066 -23.464 1.00 51.53 C ATOM 710 O CYS A 46 3.189 -14.321 -24.479 1.00 21.40 O ATOM 711 CB CYS A 46 2.692 -11.579 -22.967 1.00 61.15 C ATOM 712 SG CYS A 46 3.882 -11.107 -24.263 1.00 64.23 S ATOM 0 H CYS A 46 0.758 -12.264 -21.577 1.00 72.20 H new ATOM 0 HA CYS A 46 1.348 -12.540 -24.369 1.00 23.44 H new ATOM 0 HB2 CYS A 46 2.090 -10.709 -22.705 1.00 61.15 H new ATOM 0 HB3 CYS A 46 3.241 -11.869 -22.071 1.00 61.15 H new ATOM 717 N ASN A 47 2.427 -14.871 -22.378 1.00 61.35 N ATOM 718 CA ASN A 47 2.967 -16.251 -22.282 1.00 72.31 C ATOM 719 C ASN A 47 4.495 -16.263 -22.029 1.00 44.42 C ATOM 720 O ASN A 47 4.953 -16.805 -21.014 1.00 34.41 O ATOM 721 CB ASN A 47 2.594 -17.119 -23.526 1.00 60.15 C ATOM 722 CG ASN A 47 2.936 -18.600 -23.351 1.00 14.13 C ATOM 723 OD1 ASN A 47 2.809 -19.150 -22.259 1.00 25.20 O ATOM 724 ND2 ASN A 47 3.382 -19.254 -24.412 1.00 11.12 N ATOM 0 H ASN A 47 1.959 -14.572 -21.522 1.00 61.35 H new ATOM 0 HA ASN A 47 2.489 -16.706 -21.414 1.00 72.31 H new ATOM 0 HB2 ASN A 47 1.527 -17.020 -23.723 1.00 60.15 H new ATOM 0 HB3 ASN A 47 3.117 -16.733 -24.401 1.00 60.15 H new ATOM 0 HD21 ASN A 47 3.630 -20.240 -24.336 1.00 11.12 H new ATOM 0 HD22 ASN A 47 3.477 -18.772 -25.306 1.00 11.12 H new ATOM 731 N GLN A 48 5.268 -15.686 -22.960 1.00 34.13 N ATOM 732 CA GLN A 48 6.747 -15.638 -22.867 1.00 74.11 C ATOM 733 C GLN A 48 7.182 -14.633 -21.789 1.00 52.20 C ATOM 734 O GLN A 48 7.932 -14.975 -20.864 1.00 11.25 O ATOM 735 CB GLN A 48 7.389 -15.285 -24.241 1.00 43.20 C ATOM 736 CG GLN A 48 7.334 -16.424 -25.287 1.00 44.12 C ATOM 737 CD GLN A 48 5.932 -16.797 -25.782 1.00 24.05 C ATOM 738 OE1 GLN A 48 5.649 -17.967 -26.060 1.00 22.13 O ATOM 739 NE2 GLN A 48 5.070 -15.812 -25.956 1.00 30.41 N ATOM 0 H GLN A 48 4.895 -15.239 -23.798 1.00 34.13 H new ATOM 0 HA GLN A 48 7.100 -16.629 -22.582 1.00 74.11 H new ATOM 0 HB2 GLN A 48 6.884 -14.409 -24.649 1.00 43.20 H new ATOM 0 HB3 GLN A 48 8.430 -15.007 -24.080 1.00 43.20 H new ATOM 0 HG2 GLN A 48 7.939 -16.134 -26.146 1.00 44.12 H new ATOM 0 HG3 GLN A 48 7.797 -17.312 -24.856 1.00 44.12 H new ATOM 0 HE21 GLN A 48 5.333 -14.856 -25.717 1.00 30.41 H new ATOM 0 HE22 GLN A 48 4.141 -16.007 -26.329 1.00 30.41 H new ATOM 748 N CYS A 49 6.709 -13.394 -21.933 1.00 71.04 N ATOM 749 CA CYS A 49 6.902 -12.339 -20.937 1.00 40.21 C ATOM 750 C CYS A 49 5.640 -12.213 -20.063 1.00 45.12 C ATOM 751 O CYS A 49 4.534 -12.582 -20.482 1.00 40.23 O ATOM 752 CB CYS A 49 7.277 -11.016 -21.639 1.00 62.14 C ATOM 753 SG CYS A 49 6.316 -10.659 -23.145 1.00 23.03 S ATOM 0 H CYS A 49 6.178 -13.092 -22.750 1.00 71.04 H new ATOM 0 HA CYS A 49 7.729 -12.593 -20.274 1.00 40.21 H new ATOM 0 HB2 CYS A 49 7.142 -10.195 -20.935 1.00 62.14 H new ATOM 0 HB3 CYS A 49 8.336 -11.044 -21.897 1.00 62.14 H new ATOM 758 N GLY A 50 5.817 -11.662 -18.853 1.00 74.35 N ATOM 759 CA GLY A 50 4.787 -11.704 -17.817 1.00 44.42 C ATOM 760 C GLY A 50 3.880 -10.489 -17.826 1.00 22.13 C ATOM 761 O GLY A 50 4.063 -9.569 -17.023 1.00 53.40 O ATOM 0 H GLY A 50 6.671 -11.180 -18.572 1.00 74.35 H new ATOM 0 HA2 GLY A 50 4.183 -12.601 -17.951 1.00 44.42 H new ATOM 0 HA3 GLY A 50 5.266 -11.785 -16.841 1.00 44.42 H new ATOM 765 N ALA A 51 2.924 -10.463 -18.767 1.00 20.30 N ATOM 766 CA ALA A 51 1.885 -9.414 -18.827 1.00 72.21 C ATOM 767 C ALA A 51 0.522 -10.058 -19.075 1.00 72.30 C ATOM 768 O ALA A 51 0.254 -10.546 -20.182 1.00 11.31 O ATOM 769 CB ALA A 51 2.197 -8.373 -19.916 1.00 21.40 C ATOM 0 H ALA A 51 2.846 -11.162 -19.505 1.00 20.30 H new ATOM 0 HA ALA A 51 1.869 -8.890 -17.871 1.00 72.21 H new ATOM 0 HB1 ALA A 51 1.412 -7.617 -19.932 1.00 21.40 H new ATOM 0 HB2 ALA A 51 3.154 -7.898 -19.702 1.00 21.40 H new ATOM 0 HB3 ALA A 51 2.246 -8.866 -20.887 1.00 21.40 H new ATOM 775 N SER A 52 -0.318 -10.105 -18.023 1.00 4.31 N ATOM 776 CA SER A 52 -1.689 -10.597 -18.140 1.00 31.20 C ATOM 777 C SER A 52 -2.617 -9.455 -18.620 1.00 44.33 C ATOM 778 O SER A 52 -2.742 -8.411 -17.971 1.00 35.43 O ATOM 779 CB SER A 52 -2.163 -11.167 -16.770 1.00 4.13 C ATOM 780 OG SER A 52 -1.996 -10.223 -15.718 1.00 4.13 O ATOM 0 H SER A 52 -0.062 -9.805 -17.082 1.00 4.31 H new ATOM 0 HA SER A 52 -1.728 -11.400 -18.876 1.00 31.20 H new ATOM 0 HB2 SER A 52 -3.213 -11.453 -16.839 1.00 4.13 H new ATOM 0 HB3 SER A 52 -1.601 -12.072 -16.539 1.00 4.13 H new ATOM 0 HG SER A 52 -2.232 -9.328 -16.041 1.00 4.13 H new ATOM 786 N PHE A 53 -3.257 -9.693 -19.753 1.00 14.43 N ATOM 787 CA PHE A 53 -4.293 -8.831 -20.340 1.00 4.03 C ATOM 788 C PHE A 53 -5.678 -9.441 -20.047 1.00 24.34 C ATOM 789 O PHE A 53 -5.789 -10.439 -19.318 1.00 32.41 O ATOM 790 CB PHE A 53 -4.055 -8.721 -21.878 1.00 22.51 C ATOM 791 CG PHE A 53 -2.664 -8.221 -22.260 1.00 14.11 C ATOM 792 CD1 PHE A 53 -2.368 -6.863 -22.241 1.00 5.15 C ATOM 793 CD2 PHE A 53 -1.652 -9.111 -22.640 1.00 52.22 C ATOM 794 CE1 PHE A 53 -1.113 -6.406 -22.589 1.00 30.33 C ATOM 795 CE2 PHE A 53 -0.397 -8.651 -22.989 1.00 54.20 C ATOM 796 CZ PHE A 53 -0.127 -7.297 -22.965 1.00 40.31 C ATOM 0 H PHE A 53 -3.069 -10.521 -20.318 1.00 14.43 H new ATOM 0 HA PHE A 53 -4.248 -7.832 -19.906 1.00 4.03 H new ATOM 0 HB2 PHE A 53 -4.214 -9.700 -22.330 1.00 22.51 H new ATOM 0 HB3 PHE A 53 -4.800 -8.049 -22.303 1.00 22.51 H new ATOM 0 HD1 PHE A 53 -3.131 -6.156 -21.950 1.00 5.15 H new ATOM 0 HD2 PHE A 53 -1.855 -10.171 -22.661 1.00 52.22 H new ATOM 0 HE1 PHE A 53 -0.901 -5.347 -22.567 1.00 30.33 H new ATOM 0 HE2 PHE A 53 0.373 -9.350 -23.281 1.00 54.20 H new ATOM 0 HZ PHE A 53 0.853 -6.936 -23.240 1.00 40.31 H new ATOM 806 N THR A 54 -6.722 -8.836 -20.609 1.00 61.21 N ATOM 807 CA THR A 54 -8.101 -9.349 -20.507 1.00 73.03 C ATOM 808 C THR A 54 -8.843 -9.151 -21.838 1.00 1.10 C ATOM 809 O THR A 54 -9.958 -9.648 -22.005 1.00 21.43 O ATOM 810 CB THR A 54 -8.876 -8.657 -19.333 1.00 11.21 C ATOM 811 OG1 THR A 54 -10.194 -9.220 -19.189 1.00 24.31 O ATOM 812 CG2 THR A 54 -8.976 -7.132 -19.522 1.00 33.44 C ATOM 0 H THR A 54 -6.644 -7.975 -21.150 1.00 61.21 H new ATOM 0 HA THR A 54 -8.052 -10.416 -20.290 1.00 73.03 H new ATOM 0 HB THR A 54 -8.304 -8.843 -18.424 1.00 11.21 H new ATOM 0 HG1 THR A 54 -10.470 -9.628 -20.036 1.00 24.31 H new ATOM 0 HG21 THR A 54 -9.521 -6.697 -18.684 1.00 33.44 H new ATOM 0 HG22 THR A 54 -7.974 -6.704 -19.565 1.00 33.44 H new ATOM 0 HG23 THR A 54 -9.504 -6.914 -20.451 1.00 33.44 H new ATOM 820 N GLN A 55 -8.203 -8.446 -22.793 1.00 30.12 N ATOM 821 CA GLN A 55 -8.815 -8.091 -24.087 1.00 11.04 C ATOM 822 C GLN A 55 -8.118 -8.822 -25.251 1.00 62.02 C ATOM 823 O GLN A 55 -6.919 -9.120 -25.178 1.00 0.31 O ATOM 824 CB GLN A 55 -8.732 -6.563 -24.301 1.00 54.31 C ATOM 825 CG GLN A 55 -9.430 -5.703 -23.228 1.00 53.22 C ATOM 826 CD GLN A 55 -10.942 -5.916 -23.164 1.00 25.41 C ATOM 827 OE1 GLN A 55 -11.442 -6.735 -22.391 1.00 25.24 O ATOM 828 NE2 GLN A 55 -11.673 -5.192 -23.994 1.00 2.14 N ATOM 0 H GLN A 55 -7.247 -8.107 -22.687 1.00 30.12 H new ATOM 0 HA GLN A 55 -9.860 -8.402 -24.068 1.00 11.04 H new ATOM 0 HB2 GLN A 55 -7.681 -6.276 -24.344 1.00 54.31 H new ATOM 0 HB3 GLN A 55 -9.167 -6.326 -25.272 1.00 54.31 H new ATOM 0 HG2 GLN A 55 -8.998 -5.931 -22.254 1.00 53.22 H new ATOM 0 HG3 GLN A 55 -9.228 -4.651 -23.429 1.00 53.22 H new ATOM 0 HE21 GLN A 55 -11.223 -4.524 -24.620 1.00 2.14 H new ATOM 0 HE22 GLN A 55 -12.687 -5.302 -24.009 1.00 2.14 H new ATOM 837 N LYS A 56 -8.890 -9.075 -26.328 1.00 34.13 N ATOM 838 CA LYS A 56 -8.443 -9.810 -27.523 1.00 41.14 C ATOM 839 C LYS A 56 -7.420 -8.995 -28.308 1.00 15.35 C ATOM 840 O LYS A 56 -6.264 -9.405 -28.419 1.00 43.23 O ATOM 841 CB LYS A 56 -9.684 -10.156 -28.401 1.00 10.51 C ATOM 842 CG LYS A 56 -9.418 -11.063 -29.622 1.00 51.21 C ATOM 843 CD LYS A 56 -8.802 -12.416 -29.210 1.00 70.31 C ATOM 844 CE LYS A 56 -8.501 -13.334 -30.401 1.00 65.32 C ATOM 845 NZ LYS A 56 -7.723 -14.530 -29.978 1.00 61.24 N ATOM 0 H LYS A 56 -9.860 -8.767 -26.390 1.00 34.13 H new ATOM 0 HA LYS A 56 -7.954 -10.736 -27.219 1.00 41.14 H new ATOM 0 HB2 LYS A 56 -10.428 -10.641 -27.769 1.00 10.51 H new ATOM 0 HB3 LYS A 56 -10.125 -9.224 -28.755 1.00 10.51 H new ATOM 0 HG2 LYS A 56 -10.352 -11.237 -30.155 1.00 51.21 H new ATOM 0 HG3 LYS A 56 -8.746 -10.554 -30.313 1.00 51.21 H new ATOM 0 HD2 LYS A 56 -7.880 -12.234 -28.658 1.00 70.31 H new ATOM 0 HD3 LYS A 56 -9.485 -12.926 -28.531 1.00 70.31 H new ATOM 0 HE2 LYS A 56 -9.435 -13.650 -30.864 1.00 65.32 H new ATOM 0 HE3 LYS A 56 -7.942 -12.782 -31.156 1.00 65.32 H new ATOM 0 HZ1 LYS A 56 -7.535 -15.132 -30.805 1.00 61.24 H new ATOM 0 HZ2 LYS A 56 -6.821 -14.227 -29.558 1.00 61.24 H new ATOM 0 HZ3 LYS A 56 -8.269 -15.068 -29.275 1.00 61.24 H new ATOM 859 N GLY A 57 -7.858 -7.827 -28.805 1.00 60.40 N ATOM 860 CA GLY A 57 -7.030 -6.981 -29.667 1.00 23.04 C ATOM 861 C GLY A 57 -5.749 -6.476 -29.009 1.00 31.22 C ATOM 862 O GLY A 57 -4.763 -6.222 -29.702 1.00 44.31 O ATOM 0 H GLY A 57 -8.787 -7.449 -28.621 1.00 60.40 H new ATOM 0 HA2 GLY A 57 -6.767 -7.543 -30.563 1.00 23.04 H new ATOM 0 HA3 GLY A 57 -7.621 -6.124 -29.990 1.00 23.04 H new ATOM 866 N ASN A 58 -5.767 -6.376 -27.668 1.00 21.03 N ATOM 867 CA ASN A 58 -4.619 -5.901 -26.880 1.00 62.30 C ATOM 868 C ASN A 58 -3.484 -6.932 -26.928 1.00 64.11 C ATOM 869 O ASN A 58 -2.313 -6.573 -27.091 1.00 24.54 O ATOM 870 CB ASN A 58 -5.030 -5.611 -25.411 1.00 41.11 C ATOM 871 CG ASN A 58 -6.116 -4.530 -25.269 1.00 61.45 C ATOM 872 OD1 ASN A 58 -6.906 -4.282 -26.185 1.00 64.12 O ATOM 873 ND2 ASN A 58 -6.183 -3.898 -24.108 1.00 51.12 N ATOM 0 H ASN A 58 -6.578 -6.623 -27.101 1.00 21.03 H new ATOM 0 HA ASN A 58 -4.266 -4.967 -27.318 1.00 62.30 H new ATOM 0 HB2 ASN A 58 -5.388 -6.534 -24.955 1.00 41.11 H new ATOM 0 HB3 ASN A 58 -4.147 -5.301 -24.852 1.00 41.11 H new ATOM 0 HD21 ASN A 58 -6.899 -3.188 -23.954 1.00 51.12 H new ATOM 0 HD22 ASN A 58 -5.519 -4.121 -23.367 1.00 51.12 H new ATOM 880 N LEU A 59 -3.848 -8.222 -26.800 1.00 44.11 N ATOM 881 CA LEU A 59 -2.886 -9.323 -26.904 1.00 44.03 C ATOM 882 C LEU A 59 -2.497 -9.562 -28.378 1.00 61.02 C ATOM 883 O LEU A 59 -1.335 -9.832 -28.672 1.00 51.40 O ATOM 884 CB LEU A 59 -3.456 -10.619 -26.279 1.00 41.30 C ATOM 885 CG LEU A 59 -2.469 -11.831 -26.256 1.00 62.33 C ATOM 886 CD1 LEU A 59 -1.198 -11.500 -25.452 1.00 60.53 C ATOM 887 CD2 LEU A 59 -3.146 -13.105 -25.728 1.00 55.33 C ATOM 0 H LEU A 59 -4.807 -8.523 -26.624 1.00 44.11 H new ATOM 0 HA LEU A 59 -1.991 -9.044 -26.348 1.00 44.03 H new ATOM 0 HB2 LEU A 59 -3.768 -10.405 -25.257 1.00 41.30 H new ATOM 0 HB3 LEU A 59 -4.350 -10.908 -26.831 1.00 41.30 H new ATOM 0 HG LEU A 59 -2.170 -12.026 -27.286 1.00 62.33 H new ATOM 0 HD11 LEU A 59 -0.531 -12.362 -25.454 1.00 60.53 H new ATOM 0 HD12 LEU A 59 -0.692 -10.648 -25.906 1.00 60.53 H new ATOM 0 HD13 LEU A 59 -1.470 -11.255 -24.425 1.00 60.53 H new ATOM 0 HD21 LEU A 59 -2.428 -13.925 -25.727 1.00 55.33 H new ATOM 0 HD22 LEU A 59 -3.502 -12.934 -24.712 1.00 55.33 H new ATOM 0 HD23 LEU A 59 -3.989 -13.362 -26.369 1.00 55.33 H new ATOM 899 N LEU A 60 -3.488 -9.426 -29.286 1.00 5.22 N ATOM 900 CA LEU A 60 -3.313 -9.675 -30.730 1.00 22.12 C ATOM 901 C LEU A 60 -2.225 -8.779 -31.333 1.00 71.21 C ATOM 902 O LEU A 60 -1.347 -9.268 -32.046 1.00 43.02 O ATOM 903 CB LEU A 60 -4.656 -9.479 -31.503 1.00 11.23 C ATOM 904 CG LEU A 60 -5.712 -10.619 -31.392 1.00 53.42 C ATOM 905 CD1 LEU A 60 -6.932 -10.315 -32.289 1.00 54.35 C ATOM 906 CD2 LEU A 60 -5.096 -11.984 -31.744 1.00 22.33 C ATOM 0 H LEU A 60 -4.434 -9.139 -29.035 1.00 5.22 H new ATOM 0 HA LEU A 60 -2.996 -10.712 -30.837 1.00 22.12 H new ATOM 0 HB2 LEU A 60 -5.117 -8.556 -31.152 1.00 11.23 H new ATOM 0 HB3 LEU A 60 -4.421 -9.337 -32.558 1.00 11.23 H new ATOM 0 HG LEU A 60 -6.051 -10.668 -30.357 1.00 53.42 H new ATOM 0 HD11 LEU A 60 -7.660 -11.122 -32.199 1.00 54.35 H new ATOM 0 HD12 LEU A 60 -7.390 -9.377 -31.975 1.00 54.35 H new ATOM 0 HD13 LEU A 60 -6.609 -10.232 -33.327 1.00 54.35 H new ATOM 0 HD21 LEU A 60 -5.857 -12.760 -31.658 1.00 22.33 H new ATOM 0 HD22 LEU A 60 -4.717 -11.960 -32.766 1.00 22.33 H new ATOM 0 HD23 LEU A 60 -4.277 -12.201 -31.058 1.00 22.33 H new ATOM 918 N ARG A 61 -2.285 -7.466 -31.028 1.00 10.42 N ATOM 919 CA ARG A 61 -1.296 -6.497 -31.535 1.00 12.24 C ATOM 920 C ARG A 61 0.079 -6.715 -30.867 1.00 43.35 C ATOM 921 O ARG A 61 1.120 -6.491 -31.477 1.00 60.03 O ATOM 922 CB ARG A 61 -1.811 -5.030 -31.363 1.00 60.41 C ATOM 923 CG ARG A 61 -2.049 -4.523 -29.907 1.00 0.50 C ATOM 924 CD ARG A 61 -0.796 -3.913 -29.230 1.00 25.03 C ATOM 925 NE ARG A 61 -1.088 -3.376 -27.887 1.00 71.24 N ATOM 926 CZ ARG A 61 -0.601 -2.220 -27.381 1.00 22.13 C ATOM 927 NH1 ARG A 61 0.232 -1.447 -28.089 1.00 34.12 N ATOM 928 NH2 ARG A 61 -0.931 -1.859 -26.145 1.00 41.24 N ATOM 0 H ARG A 61 -3.006 -7.055 -30.435 1.00 10.42 H new ATOM 0 HA ARG A 61 -1.164 -6.665 -32.604 1.00 12.24 H new ATOM 0 HB2 ARG A 61 -1.094 -4.362 -31.840 1.00 60.41 H new ATOM 0 HB3 ARG A 61 -2.748 -4.935 -31.911 1.00 60.41 H new ATOM 0 HG2 ARG A 61 -2.841 -3.774 -29.921 1.00 0.50 H new ATOM 0 HG3 ARG A 61 -2.407 -5.354 -29.300 1.00 0.50 H new ATOM 0 HD2 ARG A 61 -0.021 -4.675 -29.153 1.00 25.03 H new ATOM 0 HD3 ARG A 61 -0.398 -3.116 -29.858 1.00 25.03 H new ATOM 0 HE ARG A 61 -1.709 -3.922 -27.290 1.00 71.24 H new ATOM 0 HH11 ARG A 61 0.511 -1.726 -29.030 1.00 34.12 H new ATOM 0 HH12 ARG A 61 0.587 -0.579 -27.688 1.00 34.12 H new ATOM 0 HH21 ARG A 61 -1.546 -2.452 -25.588 1.00 41.24 H new ATOM 0 HH22 ARG A 61 -0.569 -0.989 -25.754 1.00 41.24 H new ATOM 942 N HIS A 62 0.053 -7.205 -29.621 1.00 30.21 N ATOM 943 CA HIS A 62 1.246 -7.324 -28.774 1.00 43.30 C ATOM 944 C HIS A 62 2.155 -8.491 -29.220 1.00 55.41 C ATOM 945 O HIS A 62 3.375 -8.332 -29.310 1.00 21.24 O ATOM 946 CB HIS A 62 0.805 -7.498 -27.301 1.00 34.01 C ATOM 947 CG HIS A 62 1.963 -7.606 -26.356 1.00 32.42 C ATOM 948 ND1 HIS A 62 2.712 -6.522 -25.961 1.00 30.43 N ATOM 949 CD2 HIS A 62 2.544 -8.695 -25.799 1.00 73.31 C ATOM 950 CE1 HIS A 62 3.709 -6.967 -25.209 1.00 25.30 C ATOM 951 NE2 HIS A 62 3.660 -8.286 -25.073 1.00 32.11 N ATOM 0 H HIS A 62 -0.801 -7.532 -29.170 1.00 30.21 H new ATOM 0 HA HIS A 62 1.836 -6.413 -28.874 1.00 43.30 H new ATOM 0 HB2 HIS A 62 0.183 -6.651 -27.011 1.00 34.01 H new ATOM 0 HB3 HIS A 62 0.187 -8.392 -27.215 1.00 34.01 H new ATOM 0 HD1 HIS A 62 2.532 -5.548 -26.204 1.00 30.43 H new ATOM 0 HD2 HIS A 62 2.199 -9.713 -25.901 1.00 73.31 H new ATOM 0 HE1 HIS A 62 4.465 -6.337 -24.764 1.00 25.30 H new ATOM 959 N ILE A 63 1.545 -9.661 -29.469 1.00 72.03 N ATOM 960 CA ILE A 63 2.269 -10.894 -29.870 1.00 14.23 C ATOM 961 C ILE A 63 2.970 -10.741 -31.238 1.00 25.23 C ATOM 962 O ILE A 63 3.930 -11.469 -31.535 1.00 24.31 O ATOM 963 CB ILE A 63 1.330 -12.160 -29.861 1.00 23.25 C ATOM 964 CG1 ILE A 63 0.114 -11.959 -30.821 1.00 1.21 C ATOM 965 CG2 ILE A 63 0.862 -12.477 -28.421 1.00 62.13 C ATOM 966 CD1 ILE A 63 -0.897 -13.102 -30.849 1.00 64.41 C ATOM 0 H ILE A 63 0.535 -9.786 -29.400 1.00 72.03 H new ATOM 0 HA ILE A 63 3.044 -11.049 -29.119 1.00 14.23 H new ATOM 0 HB ILE A 63 1.900 -13.014 -30.226 1.00 23.25 H new ATOM 0 HG12 ILE A 63 -0.405 -11.045 -30.534 1.00 1.21 H new ATOM 0 HG13 ILE A 63 0.493 -11.807 -31.832 1.00 1.21 H new ATOM 0 HG21 ILE A 63 0.215 -13.354 -28.434 1.00 62.13 H new ATOM 0 HG22 ILE A 63 1.730 -12.675 -27.792 1.00 62.13 H new ATOM 0 HG23 ILE A 63 0.311 -11.625 -28.022 1.00 62.13 H new ATOM 0 HD11 ILE A 63 -1.699 -12.861 -31.546 1.00 64.41 H new ATOM 0 HD12 ILE A 63 -0.401 -14.018 -31.169 1.00 64.41 H new ATOM 0 HD13 ILE A 63 -1.313 -13.244 -29.852 1.00 64.41 H new ATOM 978 N LYS A 64 2.450 -9.809 -32.070 1.00 52.15 N ATOM 979 CA LYS A 64 3.060 -9.430 -33.355 1.00 72.33 C ATOM 980 C LYS A 64 4.520 -8.956 -33.151 1.00 21.30 C ATOM 981 O LYS A 64 5.398 -9.285 -33.948 1.00 50.54 O ATOM 982 CB LYS A 64 2.207 -8.328 -34.043 1.00 62.41 C ATOM 983 CG LYS A 64 0.752 -8.756 -34.372 1.00 72.14 C ATOM 984 CD LYS A 64 -0.097 -7.629 -35.011 1.00 1.35 C ATOM 985 CE LYS A 64 0.396 -7.208 -36.402 1.00 44.12 C ATOM 986 NZ LYS A 64 0.371 -8.339 -37.365 1.00 51.22 N ATOM 0 H LYS A 64 1.591 -9.299 -31.863 1.00 52.15 H new ATOM 0 HA LYS A 64 3.084 -10.305 -34.004 1.00 72.33 H new ATOM 0 HB2 LYS A 64 2.177 -7.451 -33.396 1.00 62.41 H new ATOM 0 HB3 LYS A 64 2.702 -8.026 -34.966 1.00 62.41 H new ATOM 0 HG2 LYS A 64 0.778 -9.609 -35.050 1.00 72.14 H new ATOM 0 HG3 LYS A 64 0.265 -9.091 -33.456 1.00 72.14 H new ATOM 0 HD2 LYS A 64 -1.132 -7.962 -35.086 1.00 1.35 H new ATOM 0 HD3 LYS A 64 -0.089 -6.760 -34.353 1.00 1.35 H new ATOM 0 HE2 LYS A 64 -0.228 -6.397 -36.778 1.00 44.12 H new ATOM 0 HE3 LYS A 64 1.411 -6.819 -36.325 1.00 44.12 H new ATOM 0 HZ1 LYS A 64 0.530 -7.979 -38.328 1.00 51.22 H new ATOM 0 HZ2 LYS A 64 1.120 -9.019 -37.122 1.00 51.22 H new ATOM 0 HZ3 LYS A 64 -0.554 -8.812 -37.321 1.00 51.22 H new ATOM 1000 N LEU A 65 4.778 -8.222 -32.047 1.00 75.34 N ATOM 1001 CA LEU A 65 6.132 -7.708 -31.722 1.00 44.35 C ATOM 1002 C LEU A 65 7.101 -8.858 -31.332 1.00 75.20 C ATOM 1003 O LEU A 65 8.327 -8.698 -31.378 1.00 4.11 O ATOM 1004 CB LEU A 65 6.071 -6.621 -30.608 1.00 52.23 C ATOM 1005 CG LEU A 65 5.539 -5.205 -31.048 1.00 72.13 C ATOM 1006 CD1 LEU A 65 4.059 -5.233 -31.467 1.00 64.33 C ATOM 1007 CD2 LEU A 65 5.779 -4.169 -29.938 1.00 54.52 C ATOM 0 H LEU A 65 4.066 -7.970 -31.362 1.00 75.34 H new ATOM 0 HA LEU A 65 6.527 -7.239 -32.623 1.00 44.35 H new ATOM 0 HB2 LEU A 65 5.436 -6.991 -29.803 1.00 52.23 H new ATOM 0 HB3 LEU A 65 7.072 -6.498 -30.194 1.00 52.23 H new ATOM 0 HG LEU A 65 6.106 -4.911 -31.931 1.00 72.13 H new ATOM 0 HD11 LEU A 65 3.745 -4.231 -31.760 1.00 64.33 H new ATOM 0 HD12 LEU A 65 3.932 -5.914 -32.308 1.00 64.33 H new ATOM 0 HD13 LEU A 65 3.450 -5.573 -30.629 1.00 64.33 H new ATOM 0 HD21 LEU A 65 5.405 -3.197 -30.260 1.00 54.52 H new ATOM 0 HD22 LEU A 65 5.255 -4.477 -29.033 1.00 54.52 H new ATOM 0 HD23 LEU A 65 6.847 -4.097 -29.732 1.00 54.52 H new ATOM 1019 N HIS A 66 6.540 -10.023 -30.965 1.00 24.24 N ATOM 1020 CA HIS A 66 7.323 -11.244 -30.655 1.00 53.45 C ATOM 1021 C HIS A 66 7.583 -12.086 -31.926 1.00 32.02 C ATOM 1022 O HIS A 66 8.432 -12.983 -31.923 1.00 74.50 O ATOM 1023 CB HIS A 66 6.581 -12.093 -29.576 1.00 63.22 C ATOM 1024 CG HIS A 66 6.486 -11.410 -28.235 1.00 1.12 C ATOM 1025 ND1 HIS A 66 7.548 -11.309 -27.363 1.00 31.53 N ATOM 1026 CD2 HIS A 66 5.444 -10.784 -27.621 1.00 33.31 C ATOM 1027 CE1 HIS A 66 7.140 -10.644 -26.287 1.00 73.11 C ATOM 1028 NE2 HIS A 66 5.869 -10.300 -26.388 1.00 24.03 N ATOM 0 H HIS A 66 5.532 -10.150 -30.873 1.00 24.24 H new ATOM 0 HA HIS A 66 8.292 -10.936 -30.261 1.00 53.45 H new ATOM 0 HB2 HIS A 66 5.576 -12.320 -29.931 1.00 63.22 H new ATOM 0 HB3 HIS A 66 7.099 -13.045 -29.455 1.00 63.22 H new ATOM 0 HD2 HIS A 66 4.448 -10.680 -28.026 1.00 33.31 H new ATOM 0 HE1 HIS A 66 7.768 -10.414 -25.439 1.00 73.11 H new ATOM 0 HE2 HIS A 66 5.314 -9.786 -25.704 1.00 24.03 H new ATOM 1036 N SER A 67 6.861 -11.772 -33.013 1.00 10.52 N ATOM 1037 CA SER A 67 6.927 -12.517 -34.287 1.00 73.23 C ATOM 1038 C SER A 67 8.087 -12.006 -35.167 1.00 25.40 C ATOM 1039 O SER A 67 8.147 -10.807 -35.468 1.00 13.11 O ATOM 1040 CB SER A 67 5.585 -12.358 -35.038 1.00 22.04 C ATOM 1041 OG SER A 67 4.487 -12.658 -34.189 1.00 74.23 O ATOM 0 H SER A 67 6.209 -10.988 -33.036 1.00 10.52 H new ATOM 0 HA SER A 67 7.108 -13.570 -34.070 1.00 73.23 H new ATOM 0 HB2 SER A 67 5.492 -11.338 -35.412 1.00 22.04 H new ATOM 0 HB3 SER A 67 5.569 -13.018 -35.905 1.00 22.04 H new ATOM 0 HG SER A 67 4.459 -12.014 -33.451 1.00 74.23 H new ATOM 1047 N GLY A 68 9.016 -12.917 -35.542 1.00 51.24 N ATOM 1048 CA GLY A 68 10.137 -12.584 -36.439 1.00 71.11 C ATOM 1049 C GLY A 68 9.669 -12.042 -37.792 1.00 32.34 C ATOM 1050 O GLY A 68 10.175 -11.027 -38.282 1.00 15.53 O ATOM 0 H GLY A 68 9.007 -13.889 -35.234 1.00 51.24 H new ATOM 0 HA2 GLY A 68 10.776 -11.844 -35.957 1.00 71.11 H new ATOM 0 HA3 GLY A 68 10.746 -13.474 -36.599 1.00 71.11 H new ATOM 1054 N GLU A 69 8.684 -12.734 -38.374 1.00 33.43 N ATOM 1055 CA GLU A 69 7.955 -12.286 -39.573 1.00 75.34 C ATOM 1056 C GLU A 69 6.468 -12.101 -39.218 1.00 3.44 C ATOM 1057 O GLU A 69 5.899 -12.935 -38.511 1.00 0.33 O ATOM 1058 CB GLU A 69 8.120 -13.317 -40.729 1.00 40.12 C ATOM 1059 CG GLU A 69 9.538 -13.377 -41.347 1.00 71.23 C ATOM 1060 CD GLU A 69 9.933 -12.085 -42.094 1.00 11.12 C ATOM 1061 OE1 GLU A 69 9.614 -11.962 -43.303 1.00 43.32 O ATOM 1062 OE2 GLU A 69 10.544 -11.182 -41.477 1.00 14.24 O ATOM 0 H GLU A 69 8.363 -13.636 -38.022 1.00 33.43 H new ATOM 0 HA GLU A 69 8.365 -11.335 -39.913 1.00 75.34 H new ATOM 0 HB2 GLU A 69 7.860 -14.307 -40.354 1.00 40.12 H new ATOM 0 HB3 GLU A 69 7.406 -13.077 -41.516 1.00 40.12 H new ATOM 0 HG2 GLU A 69 10.264 -13.568 -40.556 1.00 71.23 H new ATOM 0 HG3 GLU A 69 9.591 -14.219 -42.038 1.00 71.23 H new ATOM 1069 N LYS A 70 5.853 -11.002 -39.700 1.00 12.21 N ATOM 1070 CA LYS A 70 4.430 -10.701 -39.455 1.00 15.24 C ATOM 1071 C LYS A 70 3.861 -9.823 -40.600 1.00 31.32 C ATOM 1072 O LYS A 70 4.614 -9.069 -41.239 1.00 52.21 O ATOM 1073 CB LYS A 70 4.268 -9.964 -38.092 1.00 73.42 C ATOM 1074 CG LYS A 70 4.803 -8.515 -38.104 1.00 24.10 C ATOM 1075 CD LYS A 70 4.796 -7.867 -36.715 1.00 43.30 C ATOM 1076 CE LYS A 70 5.399 -6.453 -36.701 1.00 55.24 C ATOM 1077 NZ LYS A 70 6.825 -6.442 -37.117 1.00 61.21 N ATOM 0 H LYS A 70 6.328 -10.301 -40.268 1.00 12.21 H new ATOM 0 HA LYS A 70 3.875 -11.639 -39.422 1.00 15.24 H new ATOM 0 HB2 LYS A 70 3.213 -9.950 -37.819 1.00 73.42 H new ATOM 0 HB3 LYS A 70 4.790 -10.528 -37.319 1.00 73.42 H new ATOM 0 HG2 LYS A 70 5.820 -8.511 -38.496 1.00 24.10 H new ATOM 0 HG3 LYS A 70 4.197 -7.915 -38.783 1.00 24.10 H new ATOM 0 HD2 LYS A 70 3.771 -7.821 -36.348 1.00 43.30 H new ATOM 0 HD3 LYS A 70 5.354 -8.499 -36.024 1.00 43.30 H new ATOM 0 HE2 LYS A 70 4.824 -5.809 -37.367 1.00 55.24 H new ATOM 0 HE3 LYS A 70 5.312 -6.034 -35.699 1.00 55.24 H new ATOM 0 HZ1 LYS A 70 7.229 -5.499 -36.947 1.00 61.21 H new ATOM 0 HZ2 LYS A 70 7.353 -7.149 -36.566 1.00 61.21 H new ATOM 0 HZ3 LYS A 70 6.893 -6.670 -38.129 1.00 61.21 H new ATOM 1091 N PRO A 71 2.536 -9.924 -40.902 1.00 54.43 N ATOM 1092 CA PRO A 71 1.834 -8.939 -41.748 1.00 42.45 C ATOM 1093 C PRO A 71 1.378 -7.701 -40.930 1.00 70.22 C ATOM 1094 O PRO A 71 0.505 -7.810 -40.062 1.00 74.20 O ATOM 1095 CB PRO A 71 0.623 -9.754 -42.266 1.00 2.12 C ATOM 1096 CG PRO A 71 0.302 -10.693 -41.140 1.00 41.22 C ATOM 1097 CD PRO A 71 1.637 -11.052 -40.509 1.00 0.30 C ATOM 0 HA PRO A 71 2.457 -8.528 -42.543 1.00 42.45 H new ATOM 0 HB2 PRO A 71 -0.223 -9.107 -42.498 1.00 2.12 H new ATOM 0 HB3 PRO A 71 0.869 -10.296 -43.179 1.00 2.12 H new ATOM 0 HG2 PRO A 71 -0.360 -10.221 -40.414 1.00 41.22 H new ATOM 0 HG3 PRO A 71 -0.210 -11.583 -41.506 1.00 41.22 H new ATOM 0 HD2 PRO A 71 1.556 -11.139 -39.426 1.00 0.30 H new ATOM 0 HD3 PRO A 71 2.010 -12.007 -40.879 1.00 0.30 H new ATOM 1105 N PHE A 72 1.987 -6.530 -41.174 1.00 74.45 N ATOM 1106 CA PHE A 72 1.572 -5.285 -40.509 1.00 72.10 C ATOM 1107 C PHE A 72 0.288 -4.775 -41.190 1.00 62.31 C ATOM 1108 O PHE A 72 0.292 -4.478 -42.391 1.00 25.21 O ATOM 1109 CB PHE A 72 2.686 -4.198 -40.543 1.00 3.31 C ATOM 1110 CG PHE A 72 2.379 -2.976 -39.655 1.00 75.44 C ATOM 1111 CD1 PHE A 72 2.577 -3.039 -38.275 1.00 2.24 C ATOM 1112 CD2 PHE A 72 1.871 -1.788 -40.186 1.00 12.44 C ATOM 1113 CE1 PHE A 72 2.284 -1.960 -37.457 1.00 41.24 C ATOM 1114 CE2 PHE A 72 1.572 -0.710 -39.366 1.00 73.44 C ATOM 1115 CZ PHE A 72 1.777 -0.799 -38.003 1.00 43.54 C ATOM 0 H PHE A 72 2.765 -6.419 -41.824 1.00 74.45 H new ATOM 0 HA PHE A 72 1.383 -5.495 -39.456 1.00 72.10 H new ATOM 0 HB2 PHE A 72 3.627 -4.644 -40.222 1.00 3.31 H new ATOM 0 HB3 PHE A 72 2.826 -3.864 -41.571 1.00 3.31 H new ATOM 0 HD1 PHE A 72 2.966 -3.946 -37.836 1.00 2.24 H new ATOM 0 HD2 PHE A 72 1.709 -1.708 -41.251 1.00 12.44 H new ATOM 0 HE1 PHE A 72 2.452 -2.028 -36.392 1.00 41.24 H new ATOM 0 HE2 PHE A 72 1.178 0.200 -39.794 1.00 73.44 H new ATOM 0 HZ PHE A 72 1.541 0.040 -37.365 1.00 43.54 H new ATOM 1125 N LYS A 73 -0.792 -4.716 -40.404 1.00 43.42 N ATOM 1126 CA LYS A 73 -2.128 -4.291 -40.874 1.00 3.33 C ATOM 1127 C LYS A 73 -2.130 -2.825 -41.406 1.00 23.34 C ATOM 1128 O LYS A 73 -2.736 -2.563 -42.468 1.00 1.15 O ATOM 1129 CB LYS A 73 -3.194 -4.535 -39.748 1.00 63.15 C ATOM 1130 CG LYS A 73 -2.935 -3.840 -38.380 1.00 75.52 C ATOM 1131 CD LYS A 73 -3.575 -2.440 -38.272 1.00 51.42 C ATOM 1132 CE LYS A 73 -3.204 -1.733 -36.964 1.00 31.50 C ATOM 1133 NZ LYS A 73 -3.665 -2.478 -35.750 1.00 2.33 N ATOM 1134 OXT LYS A 73 -1.489 -1.950 -40.786 1.00 38.49 O ATOM 0 H LYS A 73 -0.770 -4.963 -39.414 1.00 43.42 H new ATOM 0 HA LYS A 73 -2.404 -4.905 -41.731 1.00 3.33 H new ATOM 0 HB2 LYS A 73 -4.164 -4.204 -40.120 1.00 63.15 H new ATOM 0 HB3 LYS A 73 -3.268 -5.609 -39.576 1.00 63.15 H new ATOM 0 HG2 LYS A 73 -3.324 -4.471 -37.581 1.00 75.52 H new ATOM 0 HG3 LYS A 73 -1.860 -3.753 -38.223 1.00 75.52 H new ATOM 0 HD2 LYS A 73 -3.254 -1.830 -39.116 1.00 51.42 H new ATOM 0 HD3 LYS A 73 -4.659 -2.532 -38.338 1.00 51.42 H new ATOM 0 HE2 LYS A 73 -2.122 -1.608 -36.918 1.00 31.50 H new ATOM 0 HE3 LYS A 73 -3.641 -0.735 -36.960 1.00 31.50 H new ATOM 0 HZ1 LYS A 73 -3.448 -1.922 -34.898 1.00 2.33 H new ATOM 0 HZ2 LYS A 73 -4.691 -2.635 -35.808 1.00 2.33 H new ATOM 0 HZ3 LYS A 73 -3.177 -3.395 -35.699 1.00 2.33 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 5.027 -9.452 -24.030 1.00 21.42 ZN