USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 499 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 36 HIS HE2 : A 36 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HE2 : A 40 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD Set 1.1: A 16 LYS NZ :NH3+ -160:sc= 0.855 (180deg=0) USER MOD Set 1.2: A 26 SER OG : rot -100:sc= 0.0761 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc=-4.37e-05 X(o=-4.4e-05,f=-0.0055) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -4.29! C(o=-4.3!,f=-4!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -165:sc=-0.00509 (180deg=-0.266) USER MOD Single : A 32 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= -0.115 (180deg=-0.554) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.32 K(o=-1.3,f=-10!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 56 ASN : amide:sc= -0.395 K(o=-0.4,f=-3.2!) USER MOD Single : A 60 ASN : amide:sc= -1.99 K(o=-2,f=-2.5!) USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= -0.908 (180deg=-1.58) USER MOD Single : A 63 THR OG1 : rot 81:sc= 0.618 USER MOD Single : A 65 THR OG1 : rot -8:sc= 0.866 USER MOD Single : A 69 SER OG : rot 180:sc= -0.269 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 11 54.517 -14.101 19.733 1.00 1.00 N ATOM 2 CA MET A 11 54.365 -12.621 19.768 1.00 1.00 C ATOM 3 C MET A 11 53.032 -12.274 20.422 1.00 1.00 C ATOM 4 O MET A 11 52.024 -12.940 20.180 1.00 1.00 O ATOM 5 CB MET A 11 54.409 -12.081 18.334 1.00 1.00 C ATOM 6 CG MET A 11 54.406 -10.549 18.352 1.00 1.00 C ATOM 7 SD MET A 11 54.518 -9.927 16.654 1.00 1.00 S ATOM 8 CE MET A 11 54.276 -8.175 17.035 1.00 1.00 C ATOM 0 HA MET A 11 55.173 -12.170 20.344 1.00 1.00 H new ATOM 0 HB2 MET A 11 55.302 -12.445 17.826 1.00 1.00 H new ATOM 0 HB3 MET A 11 53.551 -12.448 17.772 1.00 1.00 H new ATOM 0 HG2 MET A 11 53.496 -10.182 18.826 1.00 1.00 H new ATOM 0 HG3 MET A 11 55.245 -10.180 18.942 1.00 1.00 H new ATOM 0 HE1 MET A 11 54.309 -7.594 16.113 1.00 1.00 H new ATOM 0 HE2 MET A 11 53.308 -8.038 17.516 1.00 1.00 H new ATOM 0 HE3 MET A 11 55.066 -7.836 17.706 1.00 1.00 H new ATOM 18 N THR A 12 53.027 -11.232 21.246 1.00 1.00 N ATOM 19 CA THR A 12 51.806 -10.802 21.930 1.00 1.00 C ATOM 20 C THR A 12 50.926 -10.000 20.981 1.00 1.00 C ATOM 21 O THR A 12 51.381 -9.557 19.927 1.00 1.00 O ATOM 22 CB THR A 12 52.168 -9.941 23.141 1.00 1.00 C ATOM 23 OG1 THR A 12 52.830 -8.763 22.702 1.00 1.00 O ATOM 24 CG2 THR A 12 53.090 -10.733 24.071 1.00 1.00 C ATOM 0 H THR A 12 53.851 -10.669 21.458 1.00 1.00 H new ATOM 0 HA THR A 12 51.259 -11.685 22.261 1.00 1.00 H new ATOM 0 HB THR A 12 51.261 -9.667 23.679 1.00 1.00 H new ATOM 0 HG1 THR A 12 53.061 -8.209 23.477 1.00 1.00 H new ATOM 0 HG21 THR A 12 53.349 -10.121 24.935 1.00 1.00 H new ATOM 0 HG22 THR A 12 52.580 -11.636 24.406 1.00 1.00 H new ATOM 0 HG23 THR A 12 53.999 -11.007 23.535 1.00 1.00 H new ATOM 32 N HIS A 13 49.664 -9.808 21.352 1.00 1.00 N ATOM 33 CA HIS A 13 48.723 -9.054 20.527 1.00 1.00 C ATOM 34 C HIS A 13 48.770 -9.526 19.075 1.00 1.00 C ATOM 35 O HIS A 13 49.479 -8.965 18.240 1.00 1.00 O ATOM 36 CB HIS A 13 49.052 -7.561 20.598 1.00 1.00 C ATOM 37 CG HIS A 13 48.041 -6.782 19.799 1.00 1.00 C ATOM 38 ND1 HIS A 13 46.712 -6.687 20.182 1.00 1.00 N ATOM 39 CD2 HIS A 13 48.148 -6.062 18.635 1.00 1.00 C ATOM 40 CE1 HIS A 13 46.078 -5.937 19.262 1.00 1.00 C ATOM 41 NE2 HIS A 13 46.907 -5.531 18.297 1.00 1.00 N ATOM 0 H HIS A 13 49.267 -10.165 22.221 1.00 1.00 H new ATOM 0 HA HIS A 13 47.717 -9.224 20.911 1.00 1.00 H new ATOM 0 HB2 HIS A 13 49.047 -7.226 21.635 1.00 1.00 H new ATOM 0 HB3 HIS A 13 50.054 -7.380 20.210 1.00 1.00 H new ATOM 0 HD2 HIS A 13 49.057 -5.928 18.068 1.00 1.00 H new ATOM 0 HE1 HIS A 13 45.027 -5.693 19.300 1.00 1.00 H new ATOM 0 HE2 HIS A 13 46.679 -4.955 17.486 1.00 1.00 H new ATOM 50 N SER A 14 48.011 -10.573 18.766 1.00 1.00 N ATOM 51 CA SER A 14 47.976 -11.109 17.407 1.00 1.00 C ATOM 52 C SER A 14 46.790 -12.049 17.204 1.00 1.00 C ATOM 53 O SER A 14 46.738 -12.787 16.220 1.00 1.00 O ATOM 54 CB SER A 14 49.269 -11.863 17.105 1.00 1.00 C ATOM 55 OG SER A 14 49.355 -12.999 17.950 1.00 1.00 O ATOM 0 H SER A 14 47.415 -11.065 19.432 1.00 1.00 H new ATOM 0 HA SER A 14 47.869 -10.265 16.726 1.00 1.00 H new ATOM 0 HB2 SER A 14 49.289 -12.170 16.059 1.00 1.00 H new ATOM 0 HB3 SER A 14 50.129 -11.212 17.262 1.00 1.00 H new ATOM 0 HG SER A 14 50.183 -13.487 17.758 1.00 1.00 H new ATOM 61 N ASP A 15 45.827 -12.030 18.118 1.00 1.00 N ATOM 62 CA ASP A 15 44.650 -12.897 18.009 1.00 1.00 C ATOM 63 C ASP A 15 43.597 -12.274 17.100 1.00 1.00 C ATOM 64 O ASP A 15 42.455 -12.731 17.053 1.00 1.00 O ATOM 65 CB ASP A 15 44.047 -13.173 19.393 1.00 1.00 C ATOM 66 CG ASP A 15 43.703 -11.871 20.109 1.00 1.00 C ATOM 67 OD1 ASP A 15 44.005 -10.819 19.570 1.00 1.00 O ATOM 68 OD2 ASP A 15 43.144 -11.949 21.193 1.00 1.00 O ATOM 0 H ASP A 15 45.833 -11.428 18.941 1.00 1.00 H new ATOM 0 HA ASP A 15 44.973 -13.842 17.572 1.00 1.00 H new ATOM 0 HB2 ASP A 15 43.149 -13.782 19.288 1.00 1.00 H new ATOM 0 HB3 ASP A 15 44.753 -13.747 19.993 1.00 1.00 H new ATOM 73 N LYS A 16 43.973 -11.231 16.366 1.00 1.00 N ATOM 74 CA LYS A 16 43.077 -10.532 15.432 1.00 1.00 C ATOM 75 C LYS A 16 43.767 -10.367 14.074 1.00 1.00 C ATOM 76 O LYS A 16 44.009 -9.246 13.625 1.00 1.00 O ATOM 77 CB LYS A 16 42.711 -9.147 15.986 1.00 1.00 C ATOM 78 CG LYS A 16 41.916 -9.293 17.300 1.00 1.00 C ATOM 79 CD LYS A 16 41.852 -7.947 18.048 1.00 1.00 C ATOM 80 CE LYS A 16 41.390 -6.818 17.113 1.00 1.00 C ATOM 81 NZ LYS A 16 40.949 -5.650 17.929 1.00 1.00 N ATOM 0 H LYS A 16 44.914 -10.839 16.398 1.00 1.00 H new ATOM 0 HA LYS A 16 42.169 -11.123 15.311 1.00 1.00 H new ATOM 0 HB2 LYS A 16 43.617 -8.567 16.163 1.00 1.00 H new ATOM 0 HB3 LYS A 16 42.119 -8.599 15.253 1.00 1.00 H new ATOM 0 HG2 LYS A 16 40.907 -9.643 17.084 1.00 1.00 H new ATOM 0 HG3 LYS A 16 42.386 -10.045 17.934 1.00 1.00 H new ATOM 0 HD2 LYS A 16 41.167 -8.028 18.892 1.00 1.00 H new ATOM 0 HD3 LYS A 16 42.834 -7.707 18.456 1.00 1.00 H new ATOM 0 HE2 LYS A 16 42.203 -6.525 16.448 1.00 1.00 H new ATOM 0 HE3 LYS A 16 40.572 -7.165 16.482 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 40.336 -5.037 17.355 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 40.421 -5.986 18.760 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 41.782 -5.111 18.243 1.00 1.00 H new ATOM 95 N PRO A 17 44.085 -11.443 13.407 1.00 1.00 N ATOM 96 CA PRO A 17 44.760 -11.380 12.076 1.00 1.00 C ATOM 97 C PRO A 17 43.808 -10.937 10.962 1.00 1.00 C ATOM 98 O PRO A 17 44.240 -10.516 9.890 1.00 1.00 O ATOM 99 CB PRO A 17 45.273 -12.821 11.865 1.00 1.00 C ATOM 100 CG PRO A 17 44.313 -13.683 12.633 1.00 1.00 C ATOM 101 CD PRO A 17 43.854 -12.842 13.837 1.00 1.00 C ATOM 0 HA PRO A 17 45.560 -10.640 12.047 1.00 1.00 H new ATOM 0 HB2 PRO A 17 45.285 -13.086 10.808 1.00 1.00 H new ATOM 0 HB3 PRO A 17 46.292 -12.937 12.234 1.00 1.00 H new ATOM 0 HG2 PRO A 17 43.464 -13.970 12.012 1.00 1.00 H new ATOM 0 HG3 PRO A 17 44.794 -14.604 12.962 1.00 1.00 H new ATOM 0 HD2 PRO A 17 42.804 -13.019 14.071 1.00 1.00 H new ATOM 0 HD3 PRO A 17 44.425 -13.083 14.733 1.00 1.00 H new ATOM 109 N TYR A 18 42.507 -11.033 11.222 1.00 1.00 N ATOM 110 CA TYR A 18 41.505 -10.653 10.223 1.00 1.00 C ATOM 111 C TYR A 18 41.030 -9.231 10.452 1.00 1.00 C ATOM 112 O TYR A 18 40.293 -8.947 11.397 1.00 1.00 O ATOM 113 CB TYR A 18 40.321 -11.619 10.311 1.00 1.00 C ATOM 114 CG TYR A 18 40.767 -13.013 9.914 1.00 1.00 C ATOM 115 CD1 TYR A 18 40.877 -13.351 8.559 1.00 1.00 C ATOM 116 CD2 TYR A 18 41.065 -13.966 10.898 1.00 1.00 C ATOM 117 CE1 TYR A 18 41.285 -14.638 8.190 1.00 1.00 C ATOM 118 CE2 TYR A 18 41.475 -15.251 10.527 1.00 1.00 C ATOM 119 CZ TYR A 18 41.584 -15.587 9.173 1.00 1.00 C ATOM 120 OH TYR A 18 41.983 -16.856 8.805 1.00 1.00 O ATOM 0 H TYR A 18 42.122 -11.367 12.106 1.00 1.00 H new ATOM 0 HA TYR A 18 41.954 -10.705 9.231 1.00 1.00 H new ATOM 0 HB2 TYR A 18 39.923 -11.629 11.326 1.00 1.00 H new ATOM 0 HB3 TYR A 18 39.517 -11.284 9.656 1.00 1.00 H new ATOM 0 HD1 TYR A 18 40.647 -12.619 7.799 1.00 1.00 H new ATOM 0 HD2 TYR A 18 40.978 -13.708 11.943 1.00 1.00 H new ATOM 0 HE1 TYR A 18 41.369 -14.899 7.145 1.00 1.00 H new ATOM 0 HE2 TYR A 18 41.707 -15.984 11.286 1.00 1.00 H new ATOM 0 HH TYR A 18 42.153 -17.391 9.608 1.00 1.00 H new ATOM 130 N LYS A 19 41.451 -8.320 9.581 1.00 1.00 N ATOM 131 CA LYS A 19 41.061 -6.917 9.698 1.00 1.00 C ATOM 132 C LYS A 19 40.784 -6.346 8.318 1.00 1.00 C ATOM 133 O LYS A 19 41.339 -6.794 7.314 1.00 1.00 O ATOM 134 CB LYS A 19 42.182 -6.116 10.380 1.00 1.00 C ATOM 135 CG LYS A 19 42.684 -6.882 11.615 1.00 1.00 C ATOM 136 CD LYS A 19 43.734 -6.054 12.381 1.00 1.00 C ATOM 137 CE LYS A 19 45.055 -5.985 11.596 1.00 1.00 C ATOM 138 NZ LYS A 19 46.135 -5.467 12.490 1.00 1.00 N ATOM 0 H LYS A 19 42.060 -8.525 8.789 1.00 1.00 H new ATOM 0 HA LYS A 19 40.157 -6.847 10.303 1.00 1.00 H new ATOM 0 HB2 LYS A 19 43.003 -5.953 9.682 1.00 1.00 H new ATOM 0 HB3 LYS A 19 41.814 -5.133 10.674 1.00 1.00 H new ATOM 0 HG2 LYS A 19 41.845 -7.112 12.272 1.00 1.00 H new ATOM 0 HG3 LYS A 19 43.118 -7.833 11.307 1.00 1.00 H new ATOM 0 HD2 LYS A 19 43.355 -5.047 12.552 1.00 1.00 H new ATOM 0 HD3 LYS A 19 43.911 -6.499 13.360 1.00 1.00 H new ATOM 0 HE2 LYS A 19 45.320 -6.973 11.221 1.00 1.00 H new ATOM 0 HE3 LYS A 19 44.942 -5.335 10.729 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 47.030 -5.419 11.962 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 45.881 -4.517 12.827 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 46.247 -6.104 13.304 1.00 1.00 H new ATOM 152 N CYS A 20 39.912 -5.345 8.253 1.00 1.00 N ATOM 153 CA CYS A 20 39.566 -4.728 6.981 1.00 1.00 C ATOM 154 C CYS A 20 40.622 -3.710 6.558 1.00 1.00 C ATOM 155 O CYS A 20 40.628 -2.568 7.019 1.00 1.00 O ATOM 156 CB CYS A 20 38.212 -4.038 7.116 1.00 1.00 C ATOM 157 SG CYS A 20 37.805 -3.198 5.571 1.00 1.00 S ATOM 0 H CYS A 20 39.435 -4.947 9.062 1.00 1.00 H new ATOM 0 HA CYS A 20 39.519 -5.504 6.216 1.00 1.00 H new ATOM 0 HB2 CYS A 20 37.442 -4.770 7.358 1.00 1.00 H new ATOM 0 HB3 CYS A 20 38.238 -3.320 7.936 1.00 1.00 H new ATOM 162 N ASP A 21 41.507 -4.124 5.656 1.00 1.00 N ATOM 163 CA ASP A 21 42.559 -3.238 5.159 1.00 1.00 C ATOM 164 C ASP A 21 41.935 -1.985 4.539 1.00 1.00 C ATOM 165 O ASP A 21 42.499 -0.893 4.584 1.00 1.00 O ATOM 166 CB ASP A 21 43.407 -3.970 4.113 1.00 1.00 C ATOM 167 CG ASP A 21 44.496 -3.049 3.571 1.00 1.00 C ATOM 168 OD1 ASP A 21 45.337 -2.634 4.351 1.00 1.00 O ATOM 169 OD2 ASP A 21 44.469 -2.772 2.382 1.00 1.00 O ATOM 0 H ASP A 21 41.519 -5.062 5.255 1.00 1.00 H new ATOM 0 HA ASP A 21 43.198 -2.943 5.991 1.00 1.00 H new ATOM 0 HB2 ASP A 21 43.860 -4.856 4.558 1.00 1.00 H new ATOM 0 HB3 ASP A 21 42.772 -4.313 3.296 1.00 1.00 H new ATOM 174 N ARG A 22 40.750 -2.136 3.955 1.00 1.00 N ATOM 175 CA ARG A 22 40.054 -1.013 3.324 1.00 1.00 C ATOM 176 C ARG A 22 39.575 -0.019 4.383 1.00 1.00 C ATOM 177 O ARG A 22 39.300 1.143 4.087 1.00 1.00 O ATOM 178 CB ARG A 22 38.851 -1.530 2.518 1.00 1.00 C ATOM 179 CG ARG A 22 39.265 -2.671 1.566 1.00 1.00 C ATOM 180 CD ARG A 22 40.198 -2.151 0.467 1.00 1.00 C ATOM 181 NE ARG A 22 40.385 -3.176 -0.564 1.00 1.00 N ATOM 182 CZ ARG A 22 41.489 -3.230 -1.312 1.00 1.00 C ATOM 183 NH1 ARG A 22 42.445 -2.355 -1.133 1.00 1.00 N ATOM 184 NH2 ARG A 22 41.607 -4.158 -2.224 1.00 1.00 N ATOM 0 H ARG A 22 40.250 -3.023 3.904 1.00 1.00 H new ATOM 0 HA ARG A 22 40.748 -0.506 2.654 1.00 1.00 H new ATOM 0 HB2 ARG A 22 38.078 -1.885 3.200 1.00 1.00 H new ATOM 0 HB3 ARG A 22 38.417 -0.712 1.943 1.00 1.00 H new ATOM 0 HG2 ARG A 22 39.764 -3.459 2.130 1.00 1.00 H new ATOM 0 HG3 ARG A 22 38.377 -3.115 1.116 1.00 1.00 H new ATOM 0 HD2 ARG A 22 39.780 -1.248 0.021 1.00 1.00 H new ATOM 0 HD3 ARG A 22 41.161 -1.877 0.897 1.00 1.00 H new ATOM 0 HE ARG A 22 39.651 -3.868 -0.714 1.00 1.00 H new ATOM 0 HH11 ARG A 22 42.347 -1.631 -0.421 1.00 1.00 H new ATOM 0 HH12 ARG A 22 43.288 -2.397 -1.705 1.00 1.00 H new ATOM 0 HH21 ARG A 22 40.858 -4.836 -2.361 1.00 1.00 H new ATOM 0 HH22 ARG A 22 42.448 -4.204 -2.799 1.00 1.00 H new ATOM 198 N CYS A 23 39.478 -0.484 5.624 1.00 1.00 N ATOM 199 CA CYS A 23 39.034 0.356 6.743 1.00 1.00 C ATOM 200 C CYS A 23 39.962 0.170 7.935 1.00 1.00 C ATOM 201 O CYS A 23 41.078 -0.334 7.808 1.00 1.00 O ATOM 202 CB CYS A 23 37.597 -0.014 7.127 1.00 1.00 C ATOM 203 SG CYS A 23 36.481 0.459 5.784 1.00 1.00 S ATOM 0 H CYS A 23 39.701 -1.444 5.887 1.00 1.00 H new ATOM 0 HA CYS A 23 39.062 1.403 6.440 1.00 1.00 H new ATOM 0 HB2 CYS A 23 37.523 -1.085 7.317 1.00 1.00 H new ATOM 0 HB3 CYS A 23 37.312 0.494 8.048 1.00 1.00 H new ATOM 208 N GLN A 24 39.514 0.588 9.115 1.00 1.00 N ATOM 209 CA GLN A 24 40.313 0.478 10.343 1.00 1.00 C ATOM 210 C GLN A 24 39.735 -0.568 11.295 1.00 1.00 C ATOM 211 O GLN A 24 40.322 -0.830 12.344 1.00 1.00 O ATOM 212 CB GLN A 24 40.376 1.842 11.052 1.00 1.00 C ATOM 213 CG GLN A 24 38.959 2.408 11.264 1.00 1.00 C ATOM 214 CD GLN A 24 38.379 2.917 9.946 1.00 1.00 C ATOM 215 OE1 GLN A 24 39.035 3.666 9.222 1.00 1.00 O ATOM 216 NE2 GLN A 24 37.178 2.551 9.587 1.00 1.00 N ATOM 0 H GLN A 24 38.596 1.010 9.253 1.00 1.00 H new ATOM 0 HA GLN A 24 41.317 0.162 10.060 1.00 1.00 H new ATOM 0 HB2 GLN A 24 40.879 1.736 12.013 1.00 1.00 H new ATOM 0 HB3 GLN A 24 40.967 2.540 10.459 1.00 1.00 H new ATOM 0 HG2 GLN A 24 38.311 1.635 11.678 1.00 1.00 H new ATOM 0 HG3 GLN A 24 38.991 3.220 11.991 1.00 1.00 H new ATOM 0 HE21 GLN A 24 36.634 1.930 10.186 1.00 1.00 H new ATOM 0 HE22 GLN A 24 36.784 2.886 8.708 1.00 1.00 H new ATOM 225 N ALA A 25 38.604 -1.166 10.940 1.00 1.00 N ATOM 226 CA ALA A 25 37.960 -2.176 11.775 1.00 1.00 C ATOM 227 C ALA A 25 38.787 -3.453 11.841 1.00 1.00 C ATOM 228 O ALA A 25 39.441 -3.851 10.875 1.00 1.00 O ATOM 229 CB ALA A 25 36.577 -2.507 11.215 1.00 1.00 C ATOM 0 H ALA A 25 38.109 -0.967 10.071 1.00 1.00 H new ATOM 0 HA ALA A 25 37.871 -1.767 12.782 1.00 1.00 H new ATOM 0 HB1 ALA A 25 36.101 -3.261 11.842 1.00 1.00 H new ATOM 0 HB2 ALA A 25 35.964 -1.606 11.203 1.00 1.00 H new ATOM 0 HB3 ALA A 25 36.678 -2.891 10.200 1.00 1.00 H new ATOM 235 N SER A 26 38.768 -4.111 12.995 1.00 1.00 N ATOM 236 CA SER A 26 39.516 -5.363 13.201 1.00 1.00 C ATOM 237 C SER A 26 38.569 -6.517 13.525 1.00 1.00 C ATOM 238 O SER A 26 37.574 -6.344 14.229 1.00 1.00 O ATOM 239 CB SER A 26 40.514 -5.191 14.339 1.00 1.00 C ATOM 240 OG SER A 26 39.811 -4.988 15.557 1.00 1.00 O ATOM 0 H SER A 26 38.241 -3.802 13.812 1.00 1.00 H new ATOM 0 HA SER A 26 40.048 -5.597 12.279 1.00 1.00 H new ATOM 0 HB2 SER A 26 41.150 -6.073 14.416 1.00 1.00 H new ATOM 0 HB3 SER A 26 41.168 -4.343 14.138 1.00 1.00 H new ATOM 0 HG SER A 26 39.800 -4.032 15.773 1.00 1.00 H new ATOM 246 N PHE A 27 38.871 -7.700 13.002 1.00 1.00 N ATOM 247 CA PHE A 27 38.043 -8.901 13.226 1.00 1.00 C ATOM 248 C PHE A 27 38.888 -10.114 13.623 1.00 1.00 C ATOM 249 O PHE A 27 40.044 -10.252 13.224 1.00 1.00 O ATOM 250 CB PHE A 27 37.259 -9.218 11.947 1.00 1.00 C ATOM 251 CG PHE A 27 36.304 -8.078 11.631 1.00 1.00 C ATOM 252 CD1 PHE A 27 35.099 -7.963 12.337 1.00 1.00 C ATOM 253 CD2 PHE A 27 36.615 -7.144 10.629 1.00 1.00 C ATOM 254 CE1 PHE A 27 34.211 -6.919 12.045 1.00 1.00 C ATOM 255 CE2 PHE A 27 35.726 -6.100 10.338 1.00 1.00 C ATOM 256 CZ PHE A 27 34.522 -5.989 11.047 1.00 1.00 C ATOM 0 H PHE A 27 39.688 -7.863 12.414 1.00 1.00 H new ATOM 0 HA PHE A 27 37.361 -8.691 14.050 1.00 1.00 H new ATOM 0 HB2 PHE A 27 37.948 -9.368 11.116 1.00 1.00 H new ATOM 0 HB3 PHE A 27 36.702 -10.147 12.072 1.00 1.00 H new ATOM 0 HD1 PHE A 27 34.854 -8.680 13.107 1.00 1.00 H new ATOM 0 HD2 PHE A 27 37.542 -7.230 10.081 1.00 1.00 H new ATOM 0 HE1 PHE A 27 33.284 -6.832 12.592 1.00 1.00 H new ATOM 0 HE2 PHE A 27 35.968 -5.382 9.568 1.00 1.00 H new ATOM 0 HZ PHE A 27 33.835 -5.186 10.823 1.00 1.00 H new ATOM 266 N ARG A 28 38.288 -11.000 14.409 1.00 1.00 N ATOM 267 CA ARG A 28 38.959 -12.222 14.866 1.00 1.00 C ATOM 268 C ARG A 28 38.615 -13.412 13.967 1.00 1.00 C ATOM 269 O ARG A 28 39.332 -14.413 13.950 1.00 1.00 O ATOM 270 CB ARG A 28 38.546 -12.516 16.311 1.00 1.00 C ATOM 271 CG ARG A 28 39.265 -13.774 16.812 1.00 1.00 C ATOM 272 CD ARG A 28 39.038 -13.949 18.311 1.00 1.00 C ATOM 273 NE ARG A 28 39.669 -15.187 18.755 1.00 1.00 N ATOM 274 CZ ARG A 28 39.432 -15.694 19.957 1.00 1.00 C ATOM 275 NH1 ARG A 28 38.616 -15.084 20.772 1.00 1.00 N ATOM 276 NH2 ARG A 28 40.016 -16.804 20.322 1.00 1.00 N ATOM 0 H ARG A 28 37.331 -10.898 14.748 1.00 1.00 H new ATOM 0 HA ARG A 28 40.037 -12.067 14.815 1.00 1.00 H new ATOM 0 HB2 ARG A 28 38.792 -11.667 16.949 1.00 1.00 H new ATOM 0 HB3 ARG A 28 37.467 -12.656 16.369 1.00 1.00 H new ATOM 0 HG2 ARG A 28 38.897 -14.649 16.277 1.00 1.00 H new ATOM 0 HG3 ARG A 28 40.332 -13.699 16.605 1.00 1.00 H new ATOM 0 HD2 ARG A 28 39.454 -13.101 18.854 1.00 1.00 H new ATOM 0 HD3 ARG A 28 37.970 -13.974 18.528 1.00 1.00 H new ATOM 0 HE ARG A 28 40.307 -15.674 18.126 1.00 1.00 H new ATOM 0 HH11 ARG A 28 38.161 -14.218 20.484 1.00 1.00 H new ATOM 0 HH12 ARG A 28 38.433 -15.473 21.697 1.00 1.00 H new ATOM 0 HH21 ARG A 28 40.653 -17.279 19.683 1.00 1.00 H new ATOM 0 HH22 ARG A 28 39.835 -17.196 21.246 1.00 1.00 H new ATOM 290 N TYR A 29 37.517 -13.308 13.225 1.00 1.00 N ATOM 291 CA TYR A 29 37.066 -14.393 12.334 1.00 1.00 C ATOM 292 C TYR A 29 37.129 -13.963 10.870 1.00 1.00 C ATOM 293 O TYR A 29 36.888 -12.804 10.531 1.00 1.00 O ATOM 294 CB TYR A 29 35.623 -14.755 12.689 1.00 1.00 C ATOM 295 CG TYR A 29 35.541 -15.081 14.168 1.00 1.00 C ATOM 296 CD1 TYR A 29 35.469 -14.035 15.094 1.00 1.00 C ATOM 297 CD2 TYR A 29 35.541 -16.411 14.619 1.00 1.00 C ATOM 298 CE1 TYR A 29 35.394 -14.306 16.463 1.00 1.00 C ATOM 299 CE2 TYR A 29 35.465 -16.684 15.995 1.00 1.00 C ATOM 300 CZ TYR A 29 35.391 -15.630 16.917 1.00 1.00 C ATOM 301 OH TYR A 29 35.313 -15.896 18.271 1.00 1.00 O ATOM 0 H TYR A 29 36.916 -12.484 13.217 1.00 1.00 H new ATOM 0 HA TYR A 29 37.723 -15.253 12.469 1.00 1.00 H new ATOM 0 HB2 TYR A 29 34.958 -13.925 12.450 1.00 1.00 H new ATOM 0 HB3 TYR A 29 35.293 -15.609 12.097 1.00 1.00 H new ATOM 0 HD1 TYR A 29 35.471 -13.012 14.749 1.00 1.00 H new ATOM 0 HD2 TYR A 29 35.599 -17.223 13.909 1.00 1.00 H new ATOM 0 HE1 TYR A 29 35.338 -13.493 17.172 1.00 1.00 H new ATOM 0 HE2 TYR A 29 35.464 -17.706 16.343 1.00 1.00 H new ATOM 0 HH TYR A 29 35.321 -16.865 18.415 1.00 1.00 H new ATOM 311 N LYS A 30 37.454 -14.910 9.996 1.00 1.00 N ATOM 312 CA LYS A 30 37.551 -14.636 8.564 1.00 1.00 C ATOM 313 C LYS A 30 36.185 -14.301 7.977 1.00 1.00 C ATOM 314 O LYS A 30 36.069 -13.433 7.113 1.00 1.00 O ATOM 315 CB LYS A 30 38.139 -15.850 7.838 1.00 1.00 C ATOM 316 CG LYS A 30 38.383 -15.509 6.363 1.00 1.00 C ATOM 317 CD LYS A 30 39.093 -16.680 5.682 1.00 1.00 C ATOM 318 CE LYS A 30 39.370 -16.337 4.214 1.00 1.00 C ATOM 319 NZ LYS A 30 38.080 -16.265 3.468 1.00 1.00 N ATOM 0 H LYS A 30 37.655 -15.876 10.254 1.00 1.00 H new ATOM 0 HA LYS A 30 38.206 -13.776 8.427 1.00 1.00 H new ATOM 0 HB2 LYS A 30 39.075 -16.149 8.311 1.00 1.00 H new ATOM 0 HB3 LYS A 30 37.457 -16.697 7.916 1.00 1.00 H new ATOM 0 HG2 LYS A 30 37.436 -15.304 5.864 1.00 1.00 H new ATOM 0 HG3 LYS A 30 38.988 -14.606 6.282 1.00 1.00 H new ATOM 0 HD2 LYS A 30 40.029 -16.899 6.197 1.00 1.00 H new ATOM 0 HD3 LYS A 30 38.477 -17.577 5.745 1.00 1.00 H new ATOM 0 HE2 LYS A 30 39.896 -15.385 4.145 1.00 1.00 H new ATOM 0 HE3 LYS A 30 40.018 -17.092 3.769 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 38.269 -16.287 2.445 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 37.483 -17.076 3.727 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 37.588 -15.382 3.710 1.00 1.00 H new ATOM 333 N GLY A 31 35.143 -14.986 8.439 1.00 1.00 N ATOM 334 CA GLY A 31 33.790 -14.753 7.949 1.00 1.00 C ATOM 335 C GLY A 31 33.347 -13.339 8.280 1.00 1.00 C ATOM 336 O GLY A 31 32.660 -12.688 7.493 1.00 1.00 O ATOM 0 H GLY A 31 35.211 -15.709 9.155 1.00 1.00 H new ATOM 0 HA2 GLY A 31 33.754 -14.910 6.871 1.00 1.00 H new ATOM 0 HA3 GLY A 31 33.104 -15.471 8.399 1.00 1.00 H new ATOM 340 N ASN A 32 33.750 -12.860 9.452 1.00 1.00 N ATOM 341 CA ASN A 32 33.398 -11.519 9.879 1.00 1.00 C ATOM 342 C ASN A 32 34.007 -10.505 8.916 1.00 1.00 C ATOM 343 O ASN A 32 33.382 -9.503 8.569 1.00 1.00 O ATOM 344 CB ASN A 32 33.911 -11.272 11.306 1.00 1.00 C ATOM 345 CG ASN A 32 33.064 -12.045 12.315 1.00 1.00 C ATOM 346 OD1 ASN A 32 31.966 -12.497 11.992 1.00 1.00 O ATOM 347 ND2 ASN A 32 33.508 -12.221 13.528 1.00 1.00 N ATOM 0 H ASN A 32 34.319 -13.382 10.119 1.00 1.00 H new ATOM 0 HA ASN A 32 32.314 -11.409 9.876 1.00 1.00 H new ATOM 0 HB2 ASN A 32 34.953 -11.581 11.384 1.00 1.00 H new ATOM 0 HB3 ASN A 32 33.877 -10.206 11.533 1.00 1.00 H new ATOM 0 HD21 ASN A 32 32.945 -12.733 14.208 1.00 1.00 H new ATOM 0 HD22 ASN A 32 34.418 -11.847 13.797 1.00 1.00 H new ATOM 354 N LEU A 33 35.234 -10.775 8.481 1.00 1.00 N ATOM 355 CA LEU A 33 35.929 -9.889 7.564 1.00 1.00 C ATOM 356 C LEU A 33 35.180 -9.837 6.238 1.00 1.00 C ATOM 357 O LEU A 33 34.986 -8.772 5.651 1.00 1.00 O ATOM 358 CB LEU A 33 37.382 -10.393 7.354 1.00 1.00 C ATOM 359 CG LEU A 33 38.350 -9.219 7.103 1.00 1.00 C ATOM 360 CD1 LEU A 33 39.740 -9.759 6.740 1.00 1.00 C ATOM 361 CD2 LEU A 33 37.833 -8.310 5.971 1.00 1.00 C ATOM 0 H LEU A 33 35.765 -11.603 8.752 1.00 1.00 H new ATOM 0 HA LEU A 33 35.967 -8.883 7.982 1.00 1.00 H new ATOM 0 HB2 LEU A 33 37.706 -10.953 8.231 1.00 1.00 H new ATOM 0 HB3 LEU A 33 37.413 -11.080 6.508 1.00 1.00 H new ATOM 0 HG LEU A 33 38.415 -8.628 8.016 1.00 1.00 H new ATOM 0 HD11 LEU A 33 40.420 -8.925 6.564 1.00 1.00 H new ATOM 0 HD12 LEU A 33 40.119 -10.369 7.560 1.00 1.00 H new ATOM 0 HD13 LEU A 33 39.670 -10.367 5.838 1.00 1.00 H new ATOM 0 HD21 LEU A 33 38.534 -7.490 5.814 1.00 1.00 H new ATOM 0 HD22 LEU A 33 37.741 -8.889 5.052 1.00 1.00 H new ATOM 0 HD23 LEU A 33 36.858 -7.907 6.245 1.00 1.00 H new ATOM 373 N ALA A 34 34.755 -11.003 5.762 1.00 1.00 N ATOM 374 CA ALA A 34 34.022 -11.098 4.512 1.00 1.00 C ATOM 375 C ALA A 34 32.653 -10.461 4.679 1.00 1.00 C ATOM 376 O ALA A 34 32.132 -9.821 3.766 1.00 1.00 O ATOM 377 CB ALA A 34 33.871 -12.563 4.098 1.00 1.00 C ATOM 0 H ALA A 34 34.908 -11.897 6.228 1.00 1.00 H new ATOM 0 HA ALA A 34 34.573 -10.572 3.733 1.00 1.00 H new ATOM 0 HB1 ALA A 34 33.320 -12.621 3.159 1.00 1.00 H new ATOM 0 HB2 ALA A 34 34.858 -13.008 3.967 1.00 1.00 H new ATOM 0 HB3 ALA A 34 33.328 -13.106 4.872 1.00 1.00 H new ATOM 383 N SER A 35 32.070 -10.629 5.861 1.00 1.00 N ATOM 384 CA SER A 35 30.761 -10.061 6.149 1.00 1.00 C ATOM 385 C SER A 35 30.817 -8.554 5.970 1.00 1.00 C ATOM 386 O SER A 35 29.908 -7.949 5.400 1.00 1.00 O ATOM 387 CB SER A 35 30.347 -10.392 7.578 1.00 1.00 C ATOM 388 OG SER A 35 29.041 -9.884 7.818 1.00 1.00 O ATOM 0 H SER A 35 32.483 -11.153 6.633 1.00 1.00 H new ATOM 0 HA SER A 35 30.028 -10.486 5.463 1.00 1.00 H new ATOM 0 HB2 SER A 35 30.364 -11.471 7.733 1.00 1.00 H new ATOM 0 HB3 SER A 35 31.054 -9.957 8.284 1.00 1.00 H new ATOM 0 HG SER A 35 28.771 -10.096 8.736 1.00 1.00 H new ATOM 394 N HIS A 36 31.897 -7.942 6.445 1.00 1.00 N ATOM 395 CA HIS A 36 32.089 -6.502 6.329 1.00 1.00 C ATOM 396 C HIS A 36 32.267 -6.096 4.869 1.00 1.00 C ATOM 397 O HIS A 36 31.817 -5.026 4.460 1.00 1.00 O ATOM 398 CB HIS A 36 33.324 -6.082 7.145 1.00 1.00 C ATOM 399 CG HIS A 36 33.644 -4.626 6.904 1.00 1.00 C ATOM 400 ND1 HIS A 36 33.459 -3.643 7.865 1.00 1.00 N ATOM 401 CD2 HIS A 36 34.150 -3.984 5.803 1.00 1.00 C ATOM 402 CE1 HIS A 36 33.850 -2.471 7.325 1.00 1.00 C ATOM 403 NE2 HIS A 36 34.282 -2.623 6.068 1.00 1.00 N ATOM 0 H HIS A 36 32.659 -8.427 6.918 1.00 1.00 H new ATOM 0 HA HIS A 36 31.205 -5.998 6.719 1.00 1.00 H new ATOM 0 HB2 HIS A 36 33.141 -6.250 8.206 1.00 1.00 H new ATOM 0 HB3 HIS A 36 34.178 -6.699 6.867 1.00 1.00 H new ATOM 0 HD1 HIS A 36 33.094 -3.781 8.807 1.00 1.00 H new ATOM 0 HD2 HIS A 36 34.408 -4.462 4.870 1.00 1.00 H new ATOM 0 HE1 HIS A 36 33.818 -1.525 7.844 1.00 1.00 H new ATOM 411 N LYS A 37 32.927 -6.941 4.085 1.00 1.00 N ATOM 412 CA LYS A 37 33.166 -6.644 2.672 1.00 1.00 C ATOM 413 C LYS A 37 31.870 -6.248 1.962 1.00 1.00 C ATOM 414 O LYS A 37 31.884 -5.514 0.974 1.00 1.00 O ATOM 415 CB LYS A 37 33.795 -7.867 1.972 1.00 1.00 C ATOM 416 CG LYS A 37 34.458 -7.453 0.628 1.00 1.00 C ATOM 417 CD LYS A 37 35.899 -6.966 0.859 1.00 1.00 C ATOM 418 CE LYS A 37 36.548 -6.628 -0.484 1.00 1.00 C ATOM 419 NZ LYS A 37 37.942 -6.160 -0.247 1.00 1.00 N ATOM 0 H LYS A 37 33.306 -7.834 4.399 1.00 1.00 H new ATOM 0 HA LYS A 37 33.855 -5.802 2.617 1.00 1.00 H new ATOM 0 HB2 LYS A 37 34.540 -8.322 2.625 1.00 1.00 H new ATOM 0 HB3 LYS A 37 33.029 -8.620 1.788 1.00 1.00 H new ATOM 0 HG2 LYS A 37 34.461 -8.300 -0.058 1.00 1.00 H new ATOM 0 HG3 LYS A 37 33.873 -6.663 0.157 1.00 1.00 H new ATOM 0 HD2 LYS A 37 35.898 -6.088 1.505 1.00 1.00 H new ATOM 0 HD3 LYS A 37 36.477 -7.737 1.370 1.00 1.00 H new ATOM 0 HE2 LYS A 37 36.551 -7.505 -1.132 1.00 1.00 H new ATOM 0 HE3 LYS A 37 35.974 -5.856 -0.995 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 38.390 -5.928 -1.157 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 37.926 -5.313 0.357 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 38.485 -6.911 0.225 1.00 1.00 H new ATOM 433 N THR A 38 30.734 -6.730 2.455 1.00 1.00 N ATOM 434 CA THR A 38 29.439 -6.417 1.847 1.00 1.00 C ATOM 435 C THR A 38 29.303 -4.918 1.580 1.00 1.00 C ATOM 436 O THR A 38 28.717 -4.514 0.575 1.00 1.00 O ATOM 437 CB THR A 38 28.302 -6.877 2.774 1.00 1.00 C ATOM 438 OG1 THR A 38 27.063 -6.748 2.089 1.00 1.00 O ATOM 439 CG2 THR A 38 28.269 -6.019 4.051 1.00 1.00 C ATOM 0 H THR A 38 30.680 -7.338 3.272 1.00 1.00 H new ATOM 0 HA THR A 38 29.376 -6.945 0.895 1.00 1.00 H new ATOM 0 HB THR A 38 28.470 -7.917 3.054 1.00 1.00 H new ATOM 0 HG1 THR A 38 26.334 -7.041 2.674 1.00 1.00 H new ATOM 0 HG21 THR A 38 27.458 -6.358 4.696 1.00 1.00 H new ATOM 0 HG22 THR A 38 29.218 -6.116 4.579 1.00 1.00 H new ATOM 0 HG23 THR A 38 28.108 -4.975 3.784 1.00 1.00 H new ATOM 447 N VAL A 39 29.845 -4.113 2.487 1.00 1.00 N ATOM 448 CA VAL A 39 29.795 -2.659 2.397 1.00 1.00 C ATOM 449 C VAL A 39 30.499 -2.134 1.150 1.00 1.00 C ATOM 450 O VAL A 39 29.994 -1.232 0.482 1.00 1.00 O ATOM 451 CB VAL A 39 30.450 -2.056 3.647 1.00 1.00 C ATOM 452 CG1 VAL A 39 30.390 -0.522 3.594 1.00 1.00 C ATOM 453 CG2 VAL A 39 29.712 -2.555 4.892 1.00 1.00 C ATOM 0 H VAL A 39 30.336 -4.455 3.313 1.00 1.00 H new ATOM 0 HA VAL A 39 28.748 -2.364 2.330 1.00 1.00 H new ATOM 0 HB VAL A 39 31.495 -2.364 3.686 1.00 1.00 H new ATOM 0 HG11 VAL A 39 30.858 -0.108 4.487 1.00 1.00 H new ATOM 0 HG12 VAL A 39 30.919 -0.168 2.710 1.00 1.00 H new ATOM 0 HG13 VAL A 39 29.350 -0.200 3.548 1.00 1.00 H new ATOM 0 HG21 VAL A 39 30.173 -2.130 5.783 1.00 1.00 H new ATOM 0 HG22 VAL A 39 28.667 -2.249 4.843 1.00 1.00 H new ATOM 0 HG23 VAL A 39 29.769 -3.643 4.938 1.00 1.00 H new ATOM 463 N HIS A 40 31.671 -2.673 0.830 1.00 1.00 N ATOM 464 CA HIS A 40 32.443 -2.227 -0.330 1.00 1.00 C ATOM 465 C HIS A 40 31.852 -2.733 -1.643 1.00 1.00 C ATOM 466 O HIS A 40 32.524 -2.742 -2.674 1.00 1.00 O ATOM 467 CB HIS A 40 33.891 -2.711 -0.203 1.00 1.00 C ATOM 468 CG HIS A 40 34.521 -2.097 1.019 1.00 1.00 C ATOM 469 ND1 HIS A 40 34.738 -0.731 1.131 1.00 1.00 N ATOM 470 CD2 HIS A 40 34.980 -2.645 2.192 1.00 1.00 C ATOM 471 CE1 HIS A 40 35.303 -0.506 2.332 1.00 1.00 C ATOM 472 NE2 HIS A 40 35.474 -1.639 3.019 1.00 1.00 N ATOM 0 H HIS A 40 32.111 -3.425 1.360 1.00 1.00 H new ATOM 0 HA HIS A 40 32.408 -1.138 -0.348 1.00 1.00 H new ATOM 0 HB2 HIS A 40 33.917 -3.798 -0.131 1.00 1.00 H new ATOM 0 HB3 HIS A 40 34.457 -2.437 -1.093 1.00 1.00 H new ATOM 0 HD1 HIS A 40 34.511 -0.025 0.430 1.00 1.00 H new ATOM 0 HD2 HIS A 40 34.961 -3.697 2.436 1.00 1.00 H new ATOM 0 HE1 HIS A 40 35.584 0.471 2.696 1.00 1.00 H new ATOM 480 N THR A 41 30.590 -3.151 -1.630 1.00 1.00 N ATOM 481 CA THR A 41 29.936 -3.653 -2.836 1.00 1.00 C ATOM 482 C THR A 41 29.868 -2.577 -3.915 1.00 1.00 C ATOM 483 O THR A 41 30.032 -2.873 -5.100 1.00 1.00 O ATOM 484 CB THR A 41 28.521 -4.139 -2.512 1.00 1.00 C ATOM 485 OG1 THR A 41 27.866 -4.516 -3.716 1.00 1.00 O ATOM 486 CG2 THR A 41 27.727 -3.020 -1.831 1.00 1.00 C ATOM 0 H THR A 41 29.999 -3.152 -0.799 1.00 1.00 H new ATOM 0 HA THR A 41 30.530 -4.486 -3.212 1.00 1.00 H new ATOM 0 HB THR A 41 28.581 -4.995 -1.840 1.00 1.00 H new ATOM 0 HG1 THR A 41 26.960 -4.829 -3.511 1.00 1.00 H new ATOM 0 HG21 THR A 41 26.721 -3.374 -1.604 1.00 1.00 H new ATOM 0 HG22 THR A 41 28.227 -2.730 -0.907 1.00 1.00 H new ATOM 0 HG23 THR A 41 27.667 -2.159 -2.497 1.00 1.00 H new ATOM 494 N GLY A 42 29.622 -1.333 -3.516 1.00 1.00 N ATOM 495 CA GLY A 42 29.525 -0.225 -4.461 1.00 1.00 C ATOM 496 C GLY A 42 30.891 0.128 -5.039 1.00 1.00 C ATOM 497 O GLY A 42 31.909 -0.456 -4.668 1.00 1.00 O ATOM 0 H GLY A 42 29.486 -1.066 -2.541 1.00 1.00 H new ATOM 0 HA2 GLY A 42 28.843 -0.491 -5.269 1.00 1.00 H new ATOM 0 HA3 GLY A 42 29.102 0.647 -3.961 1.00 1.00 H new ATOM 501 N GLU A 43 30.904 1.088 -5.958 1.00 1.00 N ATOM 502 CA GLU A 43 32.144 1.523 -6.596 1.00 1.00 C ATOM 503 C GLU A 43 31.966 2.884 -7.264 1.00 1.00 C ATOM 504 O GLU A 43 32.873 3.386 -7.928 1.00 1.00 O ATOM 505 CB GLU A 43 32.586 0.485 -7.636 1.00 1.00 C ATOM 506 CG GLU A 43 31.512 0.332 -8.722 1.00 1.00 C ATOM 507 CD GLU A 43 31.896 -0.796 -9.676 1.00 1.00 C ATOM 508 OE1 GLU A 43 32.319 -1.833 -9.195 1.00 1.00 O ATOM 509 OE2 GLU A 43 31.758 -0.605 -10.873 1.00 1.00 O ATOM 0 H GLU A 43 30.070 1.580 -6.279 1.00 1.00 H new ATOM 0 HA GLU A 43 32.911 1.617 -5.827 1.00 1.00 H new ATOM 0 HB2 GLU A 43 33.529 0.791 -8.088 1.00 1.00 H new ATOM 0 HB3 GLU A 43 32.762 -0.475 -7.150 1.00 1.00 H new ATOM 0 HG2 GLU A 43 30.546 0.119 -8.263 1.00 1.00 H new ATOM 0 HG3 GLU A 43 31.404 1.266 -9.274 1.00 1.00 H new ATOM 516 N LYS A 44 30.793 3.491 -7.101 1.00 1.00 N ATOM 517 CA LYS A 44 30.510 4.793 -7.700 1.00 1.00 C ATOM 518 C LYS A 44 30.626 4.717 -9.226 1.00 1.00 C ATOM 519 O LYS A 44 31.468 5.387 -9.824 1.00 1.00 O ATOM 520 CB LYS A 44 31.473 5.866 -7.160 1.00 1.00 C ATOM 521 CG LYS A 44 31.520 5.800 -5.631 1.00 1.00 C ATOM 522 CD LYS A 44 32.502 6.854 -5.108 1.00 1.00 C ATOM 523 CE LYS A 44 32.544 6.827 -3.575 1.00 1.00 C ATOM 524 NZ LYS A 44 31.184 7.096 -3.026 1.00 1.00 N ATOM 0 H LYS A 44 30.022 3.102 -6.558 1.00 1.00 H new ATOM 0 HA LYS A 44 29.491 5.071 -7.432 1.00 1.00 H new ATOM 0 HB2 LYS A 44 32.471 5.712 -7.570 1.00 1.00 H new ATOM 0 HB3 LYS A 44 31.146 6.855 -7.480 1.00 1.00 H new ATOM 0 HG2 LYS A 44 30.527 5.975 -5.217 1.00 1.00 H new ATOM 0 HG3 LYS A 44 31.829 4.806 -5.308 1.00 1.00 H new ATOM 0 HD2 LYS A 44 33.498 6.664 -5.509 1.00 1.00 H new ATOM 0 HD3 LYS A 44 32.202 7.843 -5.453 1.00 1.00 H new ATOM 0 HE2 LYS A 44 32.900 5.857 -3.229 1.00 1.00 H new ATOM 0 HE3 LYS A 44 33.248 7.574 -3.208 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 31.264 7.410 -2.038 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 30.723 7.839 -3.589 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 30.615 6.227 -3.068 1.00 1.00 H new ATOM 538 N PRO A 45 29.811 3.925 -9.869 1.00 1.00 N ATOM 539 CA PRO A 45 29.845 3.770 -11.358 1.00 1.00 C ATOM 540 C PRO A 45 29.231 4.965 -12.105 1.00 1.00 C ATOM 541 O PRO A 45 29.892 5.981 -12.321 1.00 1.00 O ATOM 542 CB PRO A 45 29.041 2.473 -11.580 1.00 1.00 C ATOM 543 CG PRO A 45 28.036 2.475 -10.473 1.00 1.00 C ATOM 544 CD PRO A 45 28.762 3.069 -9.259 1.00 1.00 C ATOM 0 HA PRO A 45 30.861 3.727 -11.750 1.00 1.00 H new ATOM 0 HB2 PRO A 45 28.558 2.465 -12.557 1.00 1.00 H new ATOM 0 HB3 PRO A 45 29.683 1.593 -11.535 1.00 1.00 H new ATOM 0 HG2 PRO A 45 27.162 3.071 -10.738 1.00 1.00 H new ATOM 0 HG3 PRO A 45 27.682 1.466 -10.263 1.00 1.00 H new ATOM 0 HD2 PRO A 45 28.086 3.649 -8.631 1.00 1.00 H new ATOM 0 HD3 PRO A 45 29.194 2.291 -8.629 1.00 1.00 H new ATOM 552 N TYR A 46 27.969 4.850 -12.507 1.00 1.00 N ATOM 553 CA TYR A 46 27.284 5.927 -13.246 1.00 1.00 C ATOM 554 C TYR A 46 26.204 6.576 -12.393 1.00 1.00 C ATOM 555 O TYR A 46 25.480 5.908 -11.654 1.00 1.00 O ATOM 556 CB TYR A 46 26.657 5.356 -14.518 1.00 1.00 C ATOM 557 CG TYR A 46 27.748 4.729 -15.362 1.00 1.00 C ATOM 558 CD1 TYR A 46 28.526 5.528 -16.208 1.00 1.00 C ATOM 559 CD2 TYR A 46 27.991 3.350 -15.285 1.00 1.00 C ATOM 560 CE1 TYR A 46 29.544 4.951 -16.979 1.00 1.00 C ATOM 561 CE2 TYR A 46 29.012 2.774 -16.054 1.00 1.00 C ATOM 562 CZ TYR A 46 29.788 3.575 -16.901 1.00 1.00 C ATOM 563 OH TYR A 46 30.796 3.010 -17.659 1.00 1.00 O ATOM 0 H TYR A 46 27.393 4.026 -12.338 1.00 1.00 H new ATOM 0 HA TYR A 46 28.021 6.688 -13.504 1.00 1.00 H new ATOM 0 HB2 TYR A 46 25.901 4.612 -14.265 1.00 1.00 H new ATOM 0 HB3 TYR A 46 26.154 6.145 -15.077 1.00 1.00 H new ATOM 0 HD1 TYR A 46 28.341 6.591 -16.267 1.00 1.00 H new ATOM 0 HD2 TYR A 46 27.392 2.732 -14.633 1.00 1.00 H new ATOM 0 HE1 TYR A 46 30.141 5.569 -17.634 1.00 1.00 H new ATOM 0 HE2 TYR A 46 29.200 1.712 -15.993 1.00 1.00 H new ATOM 0 HH TYR A 46 30.834 2.046 -17.487 1.00 1.00 H new ATOM 573 N ARG A 47 26.096 7.896 -12.497 1.00 1.00 N ATOM 574 CA ARG A 47 25.102 8.668 -11.745 1.00 1.00 C ATOM 575 C ARG A 47 24.480 9.727 -12.644 1.00 1.00 C ATOM 576 O ARG A 47 25.174 10.550 -13.243 1.00 1.00 O ATOM 577 CB ARG A 47 25.759 9.315 -10.524 1.00 1.00 C ATOM 578 CG ARG A 47 24.708 10.071 -9.701 1.00 1.00 C ATOM 579 CD ARG A 47 25.340 10.602 -8.410 1.00 1.00 C ATOM 580 NE ARG A 47 25.686 9.496 -7.522 1.00 1.00 N ATOM 581 CZ ARG A 47 26.316 9.710 -6.372 1.00 1.00 C ATOM 582 NH1 ARG A 47 26.641 10.926 -6.024 1.00 1.00 N ATOM 583 NH2 ARG A 47 26.608 8.704 -5.589 1.00 1.00 N ATOM 0 H ARG A 47 26.691 8.463 -13.101 1.00 1.00 H new ATOM 0 HA ARG A 47 24.313 8.000 -11.400 1.00 1.00 H new ATOM 0 HB2 ARG A 47 26.234 8.551 -9.909 1.00 1.00 H new ATOM 0 HB3 ARG A 47 26.544 10.000 -10.844 1.00 1.00 H new ATOM 0 HG2 ARG A 47 24.302 10.898 -10.284 1.00 1.00 H new ATOM 0 HG3 ARG A 47 23.875 9.410 -9.463 1.00 1.00 H new ATOM 0 HD2 ARG A 47 26.233 11.181 -8.646 1.00 1.00 H new ATOM 0 HD3 ARG A 47 24.646 11.277 -7.908 1.00 1.00 H new ATOM 0 HE ARG A 47 25.440 8.543 -7.789 1.00 1.00 H new ATOM 0 HH11 ARG A 47 26.411 11.710 -6.635 1.00 1.00 H new ATOM 0 HH12 ARG A 47 27.125 11.092 -5.141 1.00 1.00 H new ATOM 0 HH21 ARG A 47 26.352 7.755 -5.861 1.00 1.00 H new ATOM 0 HH22 ARG A 47 27.092 8.869 -4.706 1.00 1.00 H new ATOM 597 N CYS A 48 23.156 9.715 -12.745 1.00 1.00 N ATOM 598 CA CYS A 48 22.441 10.665 -13.587 1.00 1.00 C ATOM 599 C CYS A 48 22.427 12.060 -12.954 1.00 1.00 C ATOM 600 O CYS A 48 21.771 12.300 -11.939 1.00 1.00 O ATOM 601 CB CYS A 48 21.004 10.150 -13.814 1.00 1.00 C ATOM 602 SG CYS A 48 20.390 10.705 -15.422 1.00 1.00 S ATOM 0 H CYS A 48 22.555 9.055 -12.252 1.00 1.00 H new ATOM 0 HA CYS A 48 22.952 10.750 -14.546 1.00 1.00 H new ATOM 0 HB2 CYS A 48 20.988 9.061 -13.766 1.00 1.00 H new ATOM 0 HB3 CYS A 48 20.350 10.513 -13.021 1.00 1.00 H new ATOM 607 N ASN A 49 23.160 12.984 -13.567 1.00 1.00 N ATOM 608 CA ASN A 49 23.236 14.357 -13.075 1.00 1.00 C ATOM 609 C ASN A 49 21.930 15.108 -13.343 1.00 1.00 C ATOM 610 O ASN A 49 21.604 16.069 -12.646 1.00 1.00 O ATOM 611 CB ASN A 49 24.401 15.086 -13.753 1.00 1.00 C ATOM 612 CG ASN A 49 24.167 15.157 -15.258 1.00 1.00 C ATOM 613 OD1 ASN A 49 23.358 14.405 -15.796 1.00 1.00 O ATOM 614 ND2 ASN A 49 24.827 16.026 -15.971 1.00 1.00 N ATOM 0 H ASN A 49 23.711 12.807 -14.407 1.00 1.00 H new ATOM 0 HA ASN A 49 23.400 14.327 -11.998 1.00 1.00 H new ATOM 0 HB2 ASN A 49 24.499 16.092 -13.344 1.00 1.00 H new ATOM 0 HB3 ASN A 49 25.336 14.566 -13.546 1.00 1.00 H new ATOM 0 HD21 ASN A 49 24.672 16.083 -16.978 1.00 1.00 H new ATOM 0 HD22 ASN A 49 25.498 16.649 -15.522 1.00 1.00 H new ATOM 621 N ILE A 50 21.188 14.668 -14.354 1.00 1.00 N ATOM 622 CA ILE A 50 19.923 15.301 -14.725 1.00 1.00 C ATOM 623 C ILE A 50 18.896 15.207 -13.595 1.00 1.00 C ATOM 624 O ILE A 50 18.257 16.198 -13.239 1.00 1.00 O ATOM 625 CB ILE A 50 19.364 14.617 -15.991 1.00 1.00 C ATOM 626 CG1 ILE A 50 20.444 14.611 -17.140 1.00 1.00 C ATOM 627 CG2 ILE A 50 18.091 15.363 -16.443 1.00 1.00 C ATOM 628 CD1 ILE A 50 21.034 13.197 -17.337 1.00 1.00 C ATOM 0 H ILE A 50 21.442 13.870 -14.936 1.00 1.00 H new ATOM 0 HA ILE A 50 20.113 16.357 -14.919 1.00 1.00 H new ATOM 0 HB ILE A 50 19.115 13.580 -15.765 1.00 1.00 H new ATOM 0 HG12 ILE A 50 19.992 14.953 -18.071 1.00 1.00 H new ATOM 0 HG13 ILE A 50 21.243 15.312 -16.897 1.00 1.00 H new ATOM 0 HG21 ILE A 50 17.688 14.887 -17.337 1.00 1.00 H new ATOM 0 HG22 ILE A 50 17.347 15.328 -15.647 1.00 1.00 H new ATOM 0 HG23 ILE A 50 18.337 16.402 -16.664 1.00 1.00 H new ATOM 0 HD11 ILE A 50 21.776 13.220 -18.135 1.00 1.00 H new ATOM 0 HD12 ILE A 50 21.506 12.868 -16.412 1.00 1.00 H new ATOM 0 HD13 ILE A 50 20.236 12.504 -17.604 1.00 1.00 H new ATOM 640 N CYS A 51 18.729 14.018 -13.026 1.00 1.00 N ATOM 641 CA CYS A 51 17.765 13.794 -11.931 1.00 1.00 C ATOM 642 C CYS A 51 18.493 13.402 -10.645 1.00 1.00 C ATOM 643 O CYS A 51 18.344 14.066 -9.620 1.00 1.00 O ATOM 644 CB CYS A 51 16.768 12.698 -12.340 1.00 1.00 C ATOM 645 SG CYS A 51 17.656 11.170 -12.717 1.00 1.00 S ATOM 0 H CYS A 51 19.248 13.184 -13.300 1.00 1.00 H new ATOM 0 HA CYS A 51 17.221 14.719 -11.742 1.00 1.00 H new ATOM 0 HB2 CYS A 51 16.054 12.525 -11.535 1.00 1.00 H new ATOM 0 HB3 CYS A 51 16.196 13.021 -13.210 1.00 1.00 H new ATOM 650 N GLY A 52 19.279 12.332 -10.695 1.00 1.00 N ATOM 651 CA GLY A 52 20.040 11.870 -9.525 1.00 1.00 C ATOM 652 C GLY A 52 20.122 10.345 -9.457 1.00 1.00 C ATOM 653 O GLY A 52 20.778 9.798 -8.570 1.00 1.00 O ATOM 0 H GLY A 52 19.410 11.763 -11.531 1.00 1.00 H new ATOM 0 HA2 GLY A 52 21.047 12.285 -9.561 1.00 1.00 H new ATOM 0 HA3 GLY A 52 19.572 12.248 -8.616 1.00 1.00 H new ATOM 657 N ALA A 53 19.466 9.652 -10.380 1.00 1.00 N ATOM 658 CA ALA A 53 19.468 8.191 -10.405 1.00 1.00 C ATOM 659 C ALA A 53 20.886 7.630 -10.415 1.00 1.00 C ATOM 660 O ALA A 53 21.871 8.362 -10.513 1.00 1.00 O ATOM 661 CB ALA A 53 18.716 7.700 -11.642 1.00 1.00 C ATOM 0 H ALA A 53 18.921 10.081 -11.128 1.00 1.00 H new ATOM 0 HA ALA A 53 18.973 7.839 -9.500 1.00 1.00 H new ATOM 0 HB1 ALA A 53 18.718 6.610 -11.660 1.00 1.00 H new ATOM 0 HB2 ALA A 53 17.688 8.061 -11.610 1.00 1.00 H new ATOM 0 HB3 ALA A 53 19.205 8.079 -12.539 1.00 1.00 H new ATOM 667 N GLN A 54 20.985 6.310 -10.301 1.00 1.00 N ATOM 668 CA GLN A 54 22.271 5.611 -10.287 1.00 1.00 C ATOM 669 C GLN A 54 22.193 4.350 -11.142 1.00 1.00 C ATOM 670 O GLN A 54 21.153 3.697 -11.215 1.00 1.00 O ATOM 671 CB GLN A 54 22.637 5.244 -8.846 1.00 1.00 C ATOM 672 CG GLN A 54 22.939 6.519 -8.053 1.00 1.00 C ATOM 673 CD GLN A 54 23.257 6.173 -6.603 1.00 1.00 C ATOM 674 OE1 GLN A 54 23.324 4.996 -6.247 1.00 1.00 O ATOM 675 NE2 GLN A 54 23.459 7.132 -5.743 1.00 1.00 N ATOM 0 H GLN A 54 20.178 5.692 -10.216 1.00 1.00 H new ATOM 0 HA GLN A 54 23.039 6.266 -10.699 1.00 1.00 H new ATOM 0 HB2 GLN A 54 21.817 4.699 -8.379 1.00 1.00 H new ATOM 0 HB3 GLN A 54 23.504 4.584 -8.837 1.00 1.00 H new ATOM 0 HG2 GLN A 54 23.781 7.045 -8.502 1.00 1.00 H new ATOM 0 HG3 GLN A 54 22.084 7.193 -8.095 1.00 1.00 H new ATOM 0 HE21 GLN A 54 23.403 8.106 -6.042 1.00 1.00 H new ATOM 0 HE22 GLN A 54 23.673 6.909 -4.771 1.00 1.00 H new ATOM 684 N PHE A 55 23.294 4.010 -11.805 1.00 1.00 N ATOM 685 CA PHE A 55 23.331 2.822 -12.666 1.00 1.00 C ATOM 686 C PHE A 55 24.733 2.222 -12.741 1.00 1.00 C ATOM 687 O PHE A 55 25.744 2.910 -12.597 1.00 1.00 O ATOM 688 CB PHE A 55 22.858 3.195 -14.080 1.00 1.00 C ATOM 689 CG PHE A 55 21.359 3.434 -14.069 1.00 1.00 C ATOM 690 CD1 PHE A 55 20.485 2.343 -14.170 1.00 1.00 C ATOM 691 CD2 PHE A 55 20.845 4.730 -13.940 1.00 1.00 C ATOM 692 CE1 PHE A 55 19.100 2.549 -14.141 1.00 1.00 C ATOM 693 CE2 PHE A 55 19.460 4.933 -13.914 1.00 1.00 C ATOM 694 CZ PHE A 55 18.588 3.843 -14.012 1.00 1.00 C ATOM 0 H PHE A 55 24.169 4.533 -11.767 1.00 1.00 H new ATOM 0 HA PHE A 55 22.667 2.074 -12.232 1.00 1.00 H new ATOM 0 HB2 PHE A 55 23.377 4.090 -14.424 1.00 1.00 H new ATOM 0 HB3 PHE A 55 23.104 2.396 -14.779 1.00 1.00 H new ATOM 0 HD1 PHE A 55 20.880 1.343 -14.270 1.00 1.00 H new ATOM 0 HD2 PHE A 55 21.516 5.572 -13.861 1.00 1.00 H new ATOM 0 HE1 PHE A 55 18.427 1.708 -14.218 1.00 1.00 H new ATOM 0 HE2 PHE A 55 19.064 5.933 -13.818 1.00 1.00 H new ATOM 0 HZ PHE A 55 17.520 4.002 -13.988 1.00 1.00 H new ATOM 704 N ASN A 56 24.793 0.918 -12.983 1.00 1.00 N ATOM 705 CA ASN A 56 26.071 0.205 -13.093 1.00 1.00 C ATOM 706 C ASN A 56 26.449 0.035 -14.563 1.00 1.00 C ATOM 707 O ASN A 56 27.470 -0.566 -14.900 1.00 1.00 O ATOM 708 CB ASN A 56 25.945 -1.174 -12.439 1.00 1.00 C ATOM 709 CG ASN A 56 25.667 -1.012 -10.949 1.00 1.00 C ATOM 710 OD1 ASN A 56 25.757 0.092 -10.415 1.00 1.00 O ATOM 711 ND2 ASN A 56 25.332 -2.054 -10.239 1.00 1.00 N ATOM 0 H ASN A 56 23.972 0.326 -13.108 1.00 1.00 H new ATOM 0 HA ASN A 56 26.845 0.782 -12.588 1.00 1.00 H new ATOM 0 HB2 ASN A 56 25.140 -1.738 -12.910 1.00 1.00 H new ATOM 0 HB3 ASN A 56 26.863 -1.743 -12.588 1.00 1.00 H new ATOM 0 HD21 ASN A 56 25.145 -1.953 -9.241 1.00 1.00 H new ATOM 0 HD22 ASN A 56 25.257 -2.970 -10.681 1.00 1.00 H new ATOM 718 N ARG A 57 25.622 0.573 -15.454 1.00 1.00 N ATOM 719 CA ARG A 57 25.873 0.476 -16.907 1.00 1.00 C ATOM 720 C ARG A 57 25.505 1.794 -17.619 1.00 1.00 C ATOM 721 O ARG A 57 24.492 2.402 -17.272 1.00 1.00 O ATOM 722 CB ARG A 57 25.041 -0.667 -17.501 1.00 1.00 C ATOM 723 CG ARG A 57 25.419 -1.987 -16.813 1.00 1.00 C ATOM 724 CD ARG A 57 24.776 -3.165 -17.553 1.00 1.00 C ATOM 725 NE ARG A 57 25.221 -3.184 -18.942 1.00 1.00 N ATOM 726 CZ ARG A 57 24.883 -4.171 -19.764 1.00 1.00 C ATOM 727 NH1 ARG A 57 24.139 -5.156 -19.333 1.00 1.00 N ATOM 728 NH2 ARG A 57 25.299 -4.159 -21.003 1.00 1.00 N ATOM 0 H ARG A 57 24.773 1.081 -15.207 1.00 1.00 H new ATOM 0 HA ARG A 57 26.935 0.281 -17.057 1.00 1.00 H new ATOM 0 HB2 ARG A 57 23.978 -0.466 -17.366 1.00 1.00 H new ATOM 0 HB3 ARG A 57 25.218 -0.740 -18.574 1.00 1.00 H new ATOM 0 HG2 ARG A 57 26.503 -2.103 -16.800 1.00 1.00 H new ATOM 0 HG3 ARG A 57 25.087 -1.974 -15.775 1.00 1.00 H new ATOM 0 HD2 ARG A 57 25.043 -4.102 -17.064 1.00 1.00 H new ATOM 0 HD3 ARG A 57 23.690 -3.082 -17.511 1.00 1.00 H new ATOM 0 HE ARG A 57 25.804 -2.423 -19.290 1.00 1.00 H new ATOM 0 HH11 ARG A 57 23.818 -5.167 -18.365 1.00 1.00 H new ATOM 0 HH12 ARG A 57 23.880 -5.914 -19.965 1.00 1.00 H new ATOM 0 HH21 ARG A 57 25.883 -3.392 -21.338 1.00 1.00 H new ATOM 0 HH22 ARG A 57 25.040 -4.916 -21.635 1.00 1.00 H new ATOM 742 N PRO A 58 26.272 2.241 -18.575 1.00 1.00 N ATOM 743 CA PRO A 58 25.958 3.512 -19.298 1.00 1.00 C ATOM 744 C PRO A 58 24.767 3.357 -20.246 1.00 1.00 C ATOM 745 O PRO A 58 23.997 4.298 -20.442 1.00 1.00 O ATOM 746 CB PRO A 58 27.257 3.835 -20.067 1.00 1.00 C ATOM 747 CG PRO A 58 27.913 2.502 -20.293 1.00 1.00 C ATOM 748 CD PRO A 58 27.513 1.618 -19.095 1.00 1.00 C ATOM 0 HA PRO A 58 25.664 4.310 -18.616 1.00 1.00 H new ATOM 0 HB2 PRO A 58 27.043 4.335 -21.011 1.00 1.00 H new ATOM 0 HB3 PRO A 58 27.901 4.500 -19.492 1.00 1.00 H new ATOM 0 HG2 PRO A 58 27.581 2.059 -21.232 1.00 1.00 H new ATOM 0 HG3 PRO A 58 28.996 2.607 -20.355 1.00 1.00 H new ATOM 0 HD2 PRO A 58 27.341 0.586 -19.402 1.00 1.00 H new ATOM 0 HD3 PRO A 58 28.296 1.599 -18.337 1.00 1.00 H new ATOM 756 N ALA A 59 24.622 2.172 -20.828 1.00 1.00 N ATOM 757 CA ALA A 59 23.527 1.914 -21.753 1.00 1.00 C ATOM 758 C ALA A 59 22.195 2.116 -21.053 1.00 1.00 C ATOM 759 O ALA A 59 21.287 2.751 -21.590 1.00 1.00 O ATOM 760 CB ALA A 59 23.615 0.486 -22.286 1.00 1.00 C ATOM 0 H ALA A 59 25.246 1.379 -20.676 1.00 1.00 H new ATOM 0 HA ALA A 59 23.603 2.612 -22.587 1.00 1.00 H new ATOM 0 HB1 ALA A 59 22.792 0.304 -22.977 1.00 1.00 H new ATOM 0 HB2 ALA A 59 24.563 0.350 -22.807 1.00 1.00 H new ATOM 0 HB3 ALA A 59 23.554 -0.217 -21.455 1.00 1.00 H new ATOM 766 N ASN A 60 22.074 1.577 -19.845 1.00 1.00 N ATOM 767 CA ASN A 60 20.851 1.707 -19.071 1.00 1.00 C ATOM 768 C ASN A 60 20.593 3.173 -18.739 1.00 1.00 C ATOM 769 O ASN A 60 19.447 3.585 -18.558 1.00 1.00 O ATOM 770 CB ASN A 60 20.957 0.893 -17.775 1.00 1.00 C ATOM 771 CG ASN A 60 19.609 0.860 -17.055 1.00 1.00 C ATOM 772 OD1 ASN A 60 18.701 1.617 -17.395 1.00 1.00 O ATOM 773 ND2 ASN A 60 19.425 0.024 -16.071 1.00 1.00 N ATOM 0 H ASN A 60 22.811 1.045 -19.382 1.00 1.00 H new ATOM 0 HA ASN A 60 20.020 1.325 -19.664 1.00 1.00 H new ATOM 0 HB2 ASN A 60 21.280 -0.123 -18.002 1.00 1.00 H new ATOM 0 HB3 ASN A 60 21.714 1.331 -17.124 1.00 1.00 H new ATOM 0 HD21 ASN A 60 18.529 -0.002 -15.584 1.00 1.00 H new ATOM 0 HD22 ASN A 60 20.177 -0.604 -15.788 1.00 1.00 H new ATOM 780 N LEU A 61 21.656 3.968 -18.662 1.00 1.00 N ATOM 781 CA LEU A 61 21.526 5.387 -18.344 1.00 1.00 C ATOM 782 C LEU A 61 20.687 6.065 -19.423 1.00 1.00 C ATOM 783 O LEU A 61 19.741 6.794 -19.123 1.00 1.00 O ATOM 784 CB LEU A 61 22.938 6.034 -18.262 1.00 1.00 C ATOM 785 CG LEU A 61 22.990 7.156 -17.208 1.00 1.00 C ATOM 786 CD1 LEU A 61 24.405 7.749 -17.159 1.00 1.00 C ATOM 787 CD2 LEU A 61 21.987 8.255 -17.551 1.00 1.00 C ATOM 0 H LEU A 61 22.615 3.655 -18.815 1.00 1.00 H new ATOM 0 HA LEU A 61 21.032 5.510 -17.380 1.00 1.00 H new ATOM 0 HB2 LEU A 61 23.675 5.269 -18.016 1.00 1.00 H new ATOM 0 HB3 LEU A 61 23.211 6.438 -19.237 1.00 1.00 H new ATOM 0 HG LEU A 61 22.734 6.737 -16.235 1.00 1.00 H new ATOM 0 HD11 LEU A 61 24.441 8.543 -16.413 1.00 1.00 H new ATOM 0 HD12 LEU A 61 25.118 6.968 -16.893 1.00 1.00 H new ATOM 0 HD13 LEU A 61 24.662 8.157 -18.136 1.00 1.00 H new ATOM 0 HD21 LEU A 61 22.036 9.040 -16.797 1.00 1.00 H new ATOM 0 HD22 LEU A 61 22.227 8.675 -18.528 1.00 1.00 H new ATOM 0 HD23 LEU A 61 20.981 7.836 -17.573 1.00 1.00 H new ATOM 799 N LYS A 62 21.029 5.820 -20.684 1.00 1.00 N ATOM 800 CA LYS A 62 20.300 6.392 -21.807 1.00 1.00 C ATOM 801 C LYS A 62 18.875 5.862 -21.800 1.00 1.00 C ATOM 802 O LYS A 62 17.914 6.605 -22.002 1.00 1.00 O ATOM 803 CB LYS A 62 20.978 6.001 -23.125 1.00 1.00 C ATOM 804 CG LYS A 62 22.361 6.662 -23.222 1.00 1.00 C ATOM 805 CD LYS A 62 22.995 6.410 -24.611 1.00 1.00 C ATOM 806 CE LYS A 62 23.532 4.972 -24.728 1.00 1.00 C ATOM 807 NZ LYS A 62 24.490 4.697 -23.621 1.00 1.00 N ATOM 0 H LYS A 62 21.812 5.225 -20.953 1.00 1.00 H new ATOM 0 HA LYS A 62 20.294 7.478 -21.716 1.00 1.00 H new ATOM 0 HB2 LYS A 62 21.079 4.917 -23.184 1.00 1.00 H new ATOM 0 HB3 LYS A 62 20.359 6.309 -23.967 1.00 1.00 H new ATOM 0 HG2 LYS A 62 22.269 7.734 -23.048 1.00 1.00 H new ATOM 0 HG3 LYS A 62 23.013 6.267 -22.443 1.00 1.00 H new ATOM 0 HD2 LYS A 62 22.253 6.588 -25.389 1.00 1.00 H new ATOM 0 HD3 LYS A 62 23.807 7.118 -24.777 1.00 1.00 H new ATOM 0 HE2 LYS A 62 22.706 4.262 -24.691 1.00 1.00 H new ATOM 0 HE3 LYS A 62 24.026 4.836 -25.690 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 25.023 3.829 -23.831 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 25.150 5.495 -23.527 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 23.966 4.574 -22.731 1.00 1.00 H new ATOM 821 N THR A 63 18.740 4.563 -21.561 1.00 1.00 N ATOM 822 CA THR A 63 17.438 3.921 -21.516 1.00 1.00 C ATOM 823 C THR A 63 16.623 4.498 -20.367 1.00 1.00 C ATOM 824 O THR A 63 15.403 4.634 -20.464 1.00 1.00 O ATOM 825 CB THR A 63 17.605 2.406 -21.348 1.00 1.00 C ATOM 826 OG1 THR A 63 18.584 1.938 -22.265 1.00 1.00 O ATOM 827 CG2 THR A 63 16.274 1.704 -21.616 1.00 1.00 C ATOM 0 H THR A 63 19.524 3.932 -21.395 1.00 1.00 H new ATOM 0 HA THR A 63 16.911 4.108 -22.451 1.00 1.00 H new ATOM 0 HB THR A 63 17.923 2.188 -20.329 1.00 1.00 H new ATOM 0 HG1 THR A 63 19.479 2.107 -21.903 1.00 1.00 H new ATOM 0 HG21 THR A 63 16.399 0.628 -21.495 1.00 1.00 H new ATOM 0 HG22 THR A 63 15.525 2.064 -20.911 1.00 1.00 H new ATOM 0 HG23 THR A 63 15.948 1.919 -22.633 1.00 1.00 H new ATOM 835 N HIS A 64 17.309 4.840 -19.282 1.00 1.00 N ATOM 836 CA HIS A 64 16.654 5.423 -18.115 1.00 1.00 C ATOM 837 C HIS A 64 16.239 6.858 -18.438 1.00 1.00 C ATOM 838 O HIS A 64 15.100 7.268 -18.218 1.00 1.00 O ATOM 839 CB HIS A 64 17.623 5.393 -16.903 1.00 1.00 C ATOM 840 CG HIS A 64 17.352 6.552 -15.965 1.00 1.00 C ATOM 841 ND1 HIS A 64 16.122 6.746 -15.352 1.00 1.00 N ATOM 842 CD2 HIS A 64 18.126 7.618 -15.597 1.00 1.00 C ATOM 843 CE1 HIS A 64 16.194 7.902 -14.660 1.00 1.00 C ATOM 844 NE2 HIS A 64 17.396 8.474 -14.773 1.00 1.00 N ATOM 0 H HIS A 64 18.318 4.724 -19.185 1.00 1.00 H new ATOM 0 HA HIS A 64 15.765 4.846 -17.860 1.00 1.00 H new ATOM 0 HB2 HIS A 64 17.511 4.451 -16.366 1.00 1.00 H new ATOM 0 HB3 HIS A 64 18.654 5.438 -17.255 1.00 1.00 H new ATOM 0 HD1 HIS A 64 15.313 6.128 -15.413 1.00 1.00 H new ATOM 0 HD2 HIS A 64 19.151 7.774 -15.900 1.00 1.00 H new ATOM 0 HE1 HIS A 64 15.379 8.315 -14.084 1.00 1.00 H new ATOM 852 N THR A 65 17.185 7.631 -18.964 1.00 1.00 N ATOM 853 CA THR A 65 16.911 9.028 -19.313 1.00 1.00 C ATOM 854 C THR A 65 15.618 9.119 -20.123 1.00 1.00 C ATOM 855 O THR A 65 15.008 10.179 -20.259 1.00 1.00 O ATOM 856 CB THR A 65 18.092 9.625 -20.104 1.00 1.00 C ATOM 857 OG1 THR A 65 18.268 8.889 -21.302 1.00 1.00 O ATOM 858 CG2 THR A 65 19.407 9.570 -19.273 1.00 1.00 C ATOM 0 H THR A 65 18.138 7.322 -19.157 1.00 1.00 H new ATOM 0 HA THR A 65 16.789 9.605 -18.396 1.00 1.00 H new ATOM 0 HB THR A 65 17.867 10.668 -20.327 1.00 1.00 H new ATOM 0 HG1 THR A 65 17.685 8.102 -21.291 1.00 1.00 H new ATOM 0 HG21 THR A 65 20.223 9.998 -19.855 1.00 1.00 H new ATOM 0 HG22 THR A 65 19.280 10.140 -18.353 1.00 1.00 H new ATOM 0 HG23 THR A 65 19.640 8.534 -19.028 1.00 1.00 H new ATOM 866 N ARG A 66 15.213 7.977 -20.669 1.00 1.00 N ATOM 867 CA ARG A 66 14.004 7.899 -21.472 1.00 1.00 C ATOM 868 C ARG A 66 12.807 8.427 -20.685 1.00 1.00 C ATOM 869 O ARG A 66 11.889 9.020 -21.255 1.00 1.00 O ATOM 870 CB ARG A 66 13.752 6.445 -21.875 1.00 1.00 C ATOM 871 CG ARG A 66 12.623 6.377 -22.905 1.00 1.00 C ATOM 872 CD ARG A 66 12.327 4.917 -23.228 1.00 1.00 C ATOM 873 NE ARG A 66 11.762 4.248 -22.063 1.00 1.00 N ATOM 874 CZ ARG A 66 11.515 2.944 -22.067 1.00 1.00 C ATOM 875 NH1 ARG A 66 11.786 2.230 -23.128 1.00 1.00 N ATOM 876 NH2 ARG A 66 11.002 2.377 -21.007 1.00 1.00 N ATOM 0 H ARG A 66 15.708 7.091 -20.568 1.00 1.00 H new ATOM 0 HA ARG A 66 14.134 8.511 -22.365 1.00 1.00 H new ATOM 0 HB2 ARG A 66 14.661 6.011 -22.291 1.00 1.00 H new ATOM 0 HB3 ARG A 66 13.490 5.855 -20.996 1.00 1.00 H new ATOM 0 HG2 ARG A 66 11.729 6.864 -22.515 1.00 1.00 H new ATOM 0 HG3 ARG A 66 12.908 6.912 -23.811 1.00 1.00 H new ATOM 0 HD2 ARG A 66 11.631 4.856 -24.065 1.00 1.00 H new ATOM 0 HD3 ARG A 66 13.242 4.413 -23.538 1.00 1.00 H new ATOM 0 HE ARG A 66 11.552 4.793 -21.227 1.00 1.00 H new ATOM 0 HH11 ARG A 66 12.188 2.675 -23.953 1.00 1.00 H new ATOM 0 HH12 ARG A 66 11.596 1.228 -23.131 1.00 1.00 H new ATOM 0 HH21 ARG A 66 10.793 2.936 -20.180 1.00 1.00 H new ATOM 0 HH22 ARG A 66 10.811 1.375 -21.007 1.00 1.00 H new ATOM 890 N ILE A 67 12.808 8.212 -19.374 1.00 1.00 N ATOM 891 CA ILE A 67 11.705 8.663 -18.533 1.00 1.00 C ATOM 892 C ILE A 67 11.610 10.187 -18.542 1.00 1.00 C ATOM 893 O ILE A 67 10.542 10.758 -18.764 1.00 1.00 O ATOM 894 CB ILE A 67 11.890 8.143 -17.094 1.00 1.00 C ATOM 895 CG1 ILE A 67 10.614 8.405 -16.280 1.00 1.00 C ATOM 896 CG2 ILE A 67 13.081 8.837 -16.408 1.00 1.00 C ATOM 897 CD1 ILE A 67 10.729 7.719 -14.919 1.00 1.00 C ATOM 0 H ILE A 67 13.555 7.731 -18.873 1.00 1.00 H new ATOM 0 HA ILE A 67 10.775 8.261 -18.934 1.00 1.00 H new ATOM 0 HB ILE A 67 12.088 7.072 -17.141 1.00 1.00 H new ATOM 0 HG12 ILE A 67 10.468 9.477 -16.148 1.00 1.00 H new ATOM 0 HG13 ILE A 67 9.743 8.028 -16.817 1.00 1.00 H new ATOM 0 HG21 ILE A 67 13.191 8.453 -15.394 1.00 1.00 H new ATOM 0 HG22 ILE A 67 13.992 8.638 -16.972 1.00 1.00 H new ATOM 0 HG23 ILE A 67 12.904 9.912 -16.372 1.00 1.00 H new ATOM 0 HD11 ILE A 67 9.824 7.904 -14.341 1.00 1.00 H new ATOM 0 HD12 ILE A 67 10.855 6.646 -15.062 1.00 1.00 H new ATOM 0 HD13 ILE A 67 11.590 8.117 -14.383 1.00 1.00 H new ATOM 909 N HIS A 68 12.734 10.860 -18.318 1.00 1.00 N ATOM 910 CA HIS A 68 12.795 12.329 -18.304 1.00 1.00 C ATOM 911 C HIS A 68 13.600 12.841 -19.498 1.00 1.00 C ATOM 912 O HIS A 68 14.266 13.873 -19.419 1.00 1.00 O ATOM 913 CB HIS A 68 13.434 12.815 -16.992 1.00 1.00 C ATOM 914 CG HIS A 68 14.882 12.397 -16.921 1.00 1.00 C ATOM 915 ND1 HIS A 68 15.842 12.942 -17.752 1.00 1.00 N ATOM 916 CD2 HIS A 68 15.550 11.510 -16.112 1.00 1.00 C ATOM 917 CE1 HIS A 68 17.021 12.385 -17.427 1.00 1.00 C ATOM 918 NE2 HIS A 68 16.901 11.505 -16.432 1.00 1.00 N ATOM 0 H HIS A 68 13.631 10.409 -18.140 1.00 1.00 H new ATOM 0 HA HIS A 68 11.780 12.721 -18.374 1.00 1.00 H new ATOM 0 HB2 HIS A 68 13.359 13.900 -16.925 1.00 1.00 H new ATOM 0 HB3 HIS A 68 12.889 12.405 -16.142 1.00 1.00 H new ATOM 0 HD1 HIS A 68 15.685 13.640 -18.479 1.00 1.00 H new ATOM 0 HD2 HIS A 68 15.092 10.907 -15.342 1.00 1.00 H new ATOM 0 HE1 HIS A 68 17.955 12.622 -17.914 1.00 1.00 H new ATOM 926 N SER A 69 13.532 12.116 -20.611 1.00 1.00 N ATOM 927 CA SER A 69 14.271 12.499 -21.820 1.00 1.00 C ATOM 928 C SER A 69 14.117 13.992 -22.099 1.00 1.00 C ATOM 929 O SER A 69 15.078 14.686 -22.432 1.00 1.00 O ATOM 930 CB SER A 69 13.756 11.697 -23.023 1.00 1.00 C ATOM 931 OG SER A 69 12.626 12.356 -23.584 1.00 1.00 O ATOM 0 H SER A 69 12.978 11.265 -20.705 1.00 1.00 H new ATOM 0 HA SER A 69 15.327 12.281 -21.659 1.00 1.00 H new ATOM 0 HB2 SER A 69 14.542 11.599 -23.772 1.00 1.00 H new ATOM 0 HB3 SER A 69 13.485 10.688 -22.712 1.00 1.00 H new ATOM 0 HG SER A 69 12.298 11.845 -24.353 1.00 1.00 H new ATOM 937 N GLY A 70 12.896 14.495 -21.955 1.00 1.00 N ATOM 938 CA GLY A 70 12.615 15.914 -22.182 1.00 1.00 C ATOM 939 C GLY A 70 11.200 16.105 -22.708 1.00 1.00 C ATOM 940 O GLY A 70 10.685 17.223 -22.719 1.00 1.00 O ATOM 0 H GLY A 70 12.082 13.944 -21.682 1.00 1.00 H new ATOM 0 HA2 GLY A 70 12.740 16.468 -21.252 1.00 1.00 H new ATOM 0 HA3 GLY A 70 13.331 16.322 -22.895 1.00 1.00 H new ATOM 944 N GLU A 71 10.578 15.016 -23.149 1.00 1.00 N ATOM 945 CA GLU A 71 9.219 15.068 -23.679 1.00 1.00 C ATOM 946 C GLU A 71 8.572 13.684 -23.650 1.00 1.00 C ATOM 947 O GLU A 71 9.251 12.663 -23.758 1.00 1.00 O ATOM 948 CB GLU A 71 9.240 15.604 -25.114 1.00 1.00 C ATOM 949 CG GLU A 71 10.147 14.732 -25.990 1.00 1.00 C ATOM 950 CD GLU A 71 10.193 15.282 -27.414 1.00 1.00 C ATOM 951 OE1 GLU A 71 9.432 16.192 -27.706 1.00 1.00 O ATOM 952 OE2 GLU A 71 10.990 14.785 -28.190 1.00 1.00 O ATOM 0 H GLU A 71 10.994 14.085 -23.150 1.00 1.00 H new ATOM 0 HA GLU A 71 8.629 15.737 -23.052 1.00 1.00 H new ATOM 0 HB2 GLU A 71 8.229 15.614 -25.521 1.00 1.00 H new ATOM 0 HB3 GLU A 71 9.597 16.634 -25.120 1.00 1.00 H new ATOM 0 HG2 GLU A 71 11.153 14.705 -25.570 1.00 1.00 H new ATOM 0 HG3 GLU A 71 9.778 13.706 -26.000 1.00 1.00 H new ATOM 959 N LYS A 72 7.251 13.653 -23.506 1.00 1.00 N ATOM 960 CA LYS A 72 6.505 12.400 -23.465 1.00 1.00 C ATOM 961 C LYS A 72 4.999 12.680 -23.557 1.00 1.00 C ATOM 962 O LYS A 72 4.217 12.190 -22.742 1.00 1.00 O ATOM 963 CB LYS A 72 6.823 11.639 -22.172 1.00 1.00 C ATOM 964 CG LYS A 72 6.657 12.566 -20.966 1.00 1.00 C ATOM 965 CD LYS A 72 6.840 11.757 -19.677 1.00 1.00 C ATOM 966 CE LYS A 72 6.588 12.655 -18.464 1.00 1.00 C ATOM 967 NZ LYS A 72 6.732 11.854 -17.214 1.00 1.00 N ATOM 0 H LYS A 72 6.672 14.488 -23.415 1.00 1.00 H new ATOM 0 HA LYS A 72 6.801 11.786 -24.316 1.00 1.00 H new ATOM 0 HB2 LYS A 72 6.161 10.779 -22.074 1.00 1.00 H new ATOM 0 HB3 LYS A 72 7.842 11.254 -22.208 1.00 1.00 H new ATOM 0 HG2 LYS A 72 7.388 13.373 -21.010 1.00 1.00 H new ATOM 0 HG3 LYS A 72 5.670 13.029 -20.982 1.00 1.00 H new ATOM 0 HD2 LYS A 72 6.151 10.912 -19.666 1.00 1.00 H new ATOM 0 HD3 LYS A 72 7.849 11.346 -19.634 1.00 1.00 H new ATOM 0 HE2 LYS A 72 7.294 13.485 -18.460 1.00 1.00 H new ATOM 0 HE3 LYS A 72 5.589 13.087 -18.519 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 6.561 12.464 -16.389 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 6.042 11.076 -17.219 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 7.694 11.463 -17.161 1.00 1.00 H new ATOM 981 N PRO A 73 4.577 13.448 -24.524 1.00 1.00 N ATOM 982 CA PRO A 73 3.129 13.792 -24.710 1.00 1.00 C ATOM 983 C PRO A 73 2.267 12.563 -25.027 1.00 1.00 C ATOM 984 O PRO A 73 2.723 11.605 -25.653 1.00 1.00 O ATOM 985 CB PRO A 73 3.140 14.809 -25.882 1.00 1.00 C ATOM 986 CG PRO A 73 4.413 14.527 -26.624 1.00 1.00 C ATOM 987 CD PRO A 73 5.422 14.086 -25.555 1.00 1.00 C ATOM 0 HA PRO A 73 2.684 14.198 -23.802 1.00 1.00 H new ATOM 0 HB2 PRO A 73 2.270 14.680 -26.526 1.00 1.00 H new ATOM 0 HB3 PRO A 73 3.115 15.835 -25.515 1.00 1.00 H new ATOM 0 HG2 PRO A 73 4.267 13.747 -27.371 1.00 1.00 H new ATOM 0 HG3 PRO A 73 4.764 15.413 -27.153 1.00 1.00 H new ATOM 0 HD2 PRO A 73 6.156 13.389 -25.959 1.00 1.00 H new ATOM 0 HD3 PRO A 73 5.976 14.934 -25.152 1.00 1.00 H new ATOM 995 N TYR A 74 1.013 12.603 -24.589 1.00 1.00 N ATOM 996 CA TYR A 74 0.086 11.500 -24.831 1.00 1.00 C ATOM 997 C TYR A 74 0.669 10.180 -24.327 1.00 1.00 C ATOM 998 O TYR A 74 1.445 9.582 -25.055 1.00 1.00 O ATOM 999 CB TYR A 74 -0.212 11.402 -26.329 1.00 1.00 C ATOM 1000 CG TYR A 74 -1.278 10.357 -26.581 1.00 1.00 C ATOM 1001 CD1 TYR A 74 -2.633 10.712 -26.537 1.00 1.00 C ATOM 1002 CD2 TYR A 74 -0.914 9.033 -26.870 1.00 1.00 C ATOM 1003 CE1 TYR A 74 -3.621 9.749 -26.777 1.00 1.00 C ATOM 1004 CE2 TYR A 74 -1.903 8.070 -27.112 1.00 1.00 C ATOM 1005 CZ TYR A 74 -3.255 8.428 -27.065 1.00 1.00 C ATOM 1006 OH TYR A 74 -4.228 7.480 -27.304 1.00 1.00 O ATOM 1007 OXT TYR A 74 0.330 9.790 -23.223 1.00 1.00 O ATOM 0 H TYR A 74 0.615 13.383 -24.066 1.00 1.00 H new ATOM 0 HA TYR A 74 -0.838 11.694 -24.287 1.00 1.00 H new ATOM 0 HB2 TYR A 74 -0.544 12.369 -26.705 1.00 1.00 H new ATOM 0 HB3 TYR A 74 0.697 11.144 -26.872 1.00 1.00 H new ATOM 0 HD1 TYR A 74 -2.916 11.731 -26.317 1.00 1.00 H new ATOM 0 HD2 TYR A 74 0.129 8.756 -26.906 1.00 1.00 H new ATOM 0 HE1 TYR A 74 -4.665 10.025 -26.740 1.00 1.00 H new ATOM 0 HE2 TYR A 74 -1.622 7.051 -27.335 1.00 1.00 H new ATOM 0 HH TYR A 74 -3.804 6.616 -27.489 1.00 1.00 H new TER 1017 TYR A 74 HETATM 1018 ZN ZN A 200 35.998 -1.749 5.103 1.00 1.00 ZN HETATM 1019 ZN ZN A 300 18.090 10.506 -14.939 1.00 1.00 ZN