USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 484 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 GLN : amide:sc= 0 X(o=-0.75,f=-0.91) USER MOD Set 1.2: A 71 HIS : no HD1:sc= -0.749 K(o=-0.75,f=-2!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.37! K(o=-1.4!,f=-0.1) USER MOD Single : A 23 SER OG : rot -45:sc= 0.309 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.167 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 40 HIS : no HD1:sc=-0.00626 X(o=-0.0063,f=-0.0098) USER MOD Single : A 42 HIS : no HD1:sc= -0.247 K(o=-0.25,f=-0.87) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -60:sc= 1.03 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc=-0.00121 X(o=-0.0012,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 68 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.058) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 70 HIS : no HD1:sc= 0.533 K(o=0.53,f=-3.2!) USER MOD Single : A 72 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.024 -7.626 -8.883 1.00 0.00 N ATOM 2 CA ALA A 1 20.741 -7.363 -10.317 1.00 0.00 C ATOM 3 C ALA A 1 19.834 -6.147 -10.483 1.00 0.00 C ATOM 4 O ALA A 1 20.232 -5.140 -11.069 1.00 0.00 O ATOM 5 CB ALA A 1 20.107 -8.587 -10.962 1.00 0.00 C ATOM 0 H1 ALA A 1 21.643 -8.458 -8.798 1.00 0.00 H new ATOM 0 H2 ALA A 1 21.496 -6.799 -8.465 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.131 -7.806 -8.380 1.00 0.00 H new ATOM 0 HA ALA A 1 21.686 -7.150 -10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 1 19.905 -8.381 -12.013 1.00 0.00 H new ATOM 0 HB2 ALA A 1 20.789 -9.434 -10.883 1.00 0.00 H new ATOM 0 HB3 ALA A 1 19.173 -8.824 -10.452 1.00 0.00 H new ATOM 13 N MET A 2 18.615 -6.247 -9.960 1.00 0.00 N ATOM 14 CA MET A 2 17.652 -5.154 -10.048 1.00 0.00 C ATOM 15 C MET A 2 17.030 -4.868 -8.685 1.00 0.00 C ATOM 16 O MET A 2 16.489 -5.765 -8.038 1.00 0.00 O ATOM 17 CB MET A 2 16.557 -5.491 -11.063 1.00 0.00 C ATOM 18 CG MET A 2 17.028 -5.432 -12.506 1.00 0.00 C ATOM 19 SD MET A 2 16.413 -6.809 -13.495 1.00 0.00 S ATOM 20 CE MET A 2 15.430 -5.940 -14.713 1.00 0.00 C ATOM 0 H MET A 2 18.271 -7.073 -9.471 1.00 0.00 H new ATOM 0 HA MET A 2 18.181 -4.261 -10.380 1.00 0.00 H new ATOM 0 HB2 MET A 2 16.175 -6.490 -10.855 1.00 0.00 H new ATOM 0 HB3 MET A 2 15.726 -4.798 -10.932 1.00 0.00 H new ATOM 0 HG2 MET A 2 16.700 -4.494 -12.953 1.00 0.00 H new ATOM 0 HG3 MET A 2 18.118 -5.432 -12.529 1.00 0.00 H new ATOM 0 HE1 MET A 2 14.982 -6.659 -15.399 1.00 0.00 H new ATOM 0 HE2 MET A 2 14.642 -5.378 -14.211 1.00 0.00 H new ATOM 0 HE3 MET A 2 16.066 -5.253 -15.271 1.00 0.00 H new ATOM 30 N ASP A 3 17.110 -3.612 -8.256 1.00 0.00 N ATOM 31 CA ASP A 3 16.556 -3.207 -6.968 1.00 0.00 C ATOM 32 C ASP A 3 15.632 -2.002 -7.127 1.00 0.00 C ATOM 33 O ASP A 3 15.720 -1.267 -8.110 1.00 0.00 O ATOM 34 CB ASP A 3 17.681 -2.871 -5.986 1.00 0.00 C ATOM 35 CG ASP A 3 19.036 -3.350 -6.472 1.00 0.00 C ATOM 36 OD1 ASP A 3 19.331 -4.554 -6.319 1.00 0.00 O ATOM 37 OD2 ASP A 3 19.803 -2.519 -7.003 1.00 0.00 O ATOM 0 H ASP A 3 17.553 -2.858 -8.781 1.00 0.00 H new ATOM 0 HA ASP A 3 15.975 -4.041 -6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 3 17.714 -1.793 -5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 3 17.463 -3.325 -5.019 1.00 0.00 H new ATOM 42 N VAL A 4 14.747 -1.808 -6.153 1.00 0.00 N ATOM 43 CA VAL A 4 13.807 -0.693 -6.185 1.00 0.00 C ATOM 44 C VAL A 4 14.285 0.451 -5.296 1.00 0.00 C ATOM 45 O VAL A 4 14.378 0.305 -4.077 1.00 0.00 O ATOM 46 CB VAL A 4 12.399 -1.129 -5.732 1.00 0.00 C ATOM 47 CG1 VAL A 4 11.395 -0.007 -5.953 1.00 0.00 C ATOM 48 CG2 VAL A 4 11.971 -2.391 -6.466 1.00 0.00 C ATOM 0 H VAL A 4 14.662 -2.408 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 4 13.756 -0.351 -7.219 1.00 0.00 H new ATOM 0 HB VAL A 4 12.431 -1.350 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.407 -0.333 -5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.696 0.869 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.362 0.248 -7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.975 -2.685 -6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.954 -2.200 -7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.676 -3.194 -6.251 1.00 0.00 H new ATOM 58 N LYS A 5 14.585 1.589 -5.914 1.00 0.00 N ATOM 59 CA LYS A 5 15.053 2.758 -5.178 1.00 0.00 C ATOM 60 C LYS A 5 14.013 3.873 -5.206 1.00 0.00 C ATOM 61 O LYS A 5 13.435 4.172 -6.251 1.00 0.00 O ATOM 62 CB LYS A 5 16.372 3.264 -5.764 1.00 0.00 C ATOM 63 CG LYS A 5 17.496 3.355 -4.743 1.00 0.00 C ATOM 64 CD LYS A 5 17.821 4.799 -4.397 1.00 0.00 C ATOM 65 CE LYS A 5 18.525 5.505 -5.545 1.00 0.00 C ATOM 66 NZ LYS A 5 19.965 5.746 -5.252 1.00 0.00 N ATOM 0 H LYS A 5 14.512 1.726 -6.922 1.00 0.00 H new ATOM 0 HA LYS A 5 15.214 2.460 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.679 2.600 -6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.211 4.248 -6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.211 2.819 -3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.387 2.865 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.902 5.331 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 5 18.453 4.828 -3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.435 4.904 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.031 6.456 -5.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.408 6.229 -6.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 20.052 6.341 -4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.443 4.837 -5.088 1.00 0.00 H new ATOM 80 N CYS A 6 13.782 4.487 -4.049 1.00 0.00 N ATOM 81 CA CYS A 6 12.815 5.572 -3.934 1.00 0.00 C ATOM 82 C CYS A 6 13.335 6.662 -3.005 1.00 0.00 C ATOM 83 O CYS A 6 13.577 6.416 -1.823 1.00 0.00 O ATOM 84 CB CYS A 6 11.477 5.041 -3.418 1.00 0.00 C ATOM 85 SG CYS A 6 10.724 3.764 -4.475 1.00 0.00 S ATOM 0 H CYS A 6 14.253 4.250 -3.176 1.00 0.00 H new ATOM 0 HA CYS A 6 12.667 6.001 -4.925 1.00 0.00 H new ATOM 0 HB2 CYS A 6 11.623 4.630 -2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.781 5.874 -3.322 1.00 0.00 H new ATOM 90 N ASP A 7 13.507 7.864 -3.550 1.00 0.00 N ATOM 91 CA ASP A 7 14.005 9.001 -2.778 1.00 0.00 C ATOM 92 C ASP A 7 15.410 8.728 -2.249 1.00 0.00 C ATOM 93 O ASP A 7 15.897 7.598 -2.297 1.00 0.00 O ATOM 94 CB ASP A 7 13.059 9.319 -1.617 1.00 0.00 C ATOM 95 CG ASP A 7 12.980 10.804 -1.326 1.00 0.00 C ATOM 96 OD1 ASP A 7 13.893 11.326 -0.652 1.00 0.00 O ATOM 97 OD2 ASP A 7 12.007 11.447 -1.774 1.00 0.00 O ATOM 0 H ASP A 7 13.308 8.077 -4.528 1.00 0.00 H new ATOM 0 HA ASP A 7 14.049 9.864 -3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.063 8.944 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 7 13.396 8.794 -0.723 1.00 0.00 H new ATOM 102 N MET A 8 16.063 9.773 -1.750 1.00 0.00 N ATOM 103 CA MET A 8 17.415 9.644 -1.218 1.00 0.00 C ATOM 104 C MET A 8 17.388 9.382 0.285 1.00 0.00 C ATOM 105 O MET A 8 17.990 10.121 1.065 1.00 0.00 O ATOM 106 CB MET A 8 18.223 10.908 -1.517 1.00 0.00 C ATOM 107 CG MET A 8 18.953 10.862 -2.849 1.00 0.00 C ATOM 108 SD MET A 8 18.859 12.423 -3.747 1.00 0.00 S ATOM 109 CE MET A 8 17.882 11.939 -5.167 1.00 0.00 C ATOM 0 H MET A 8 15.679 10.717 -1.703 1.00 0.00 H new ATOM 0 HA MET A 8 17.892 8.793 -1.704 1.00 0.00 H new ATOM 0 HB2 MET A 8 17.553 11.768 -1.509 1.00 0.00 H new ATOM 0 HB3 MET A 8 18.949 11.062 -0.719 1.00 0.00 H new ATOM 0 HG2 MET A 8 19.999 10.609 -2.677 1.00 0.00 H new ATOM 0 HG3 MET A 8 18.530 10.068 -3.464 1.00 0.00 H new ATOM 0 HE1 MET A 8 17.737 12.800 -5.819 1.00 0.00 H new ATOM 0 HE2 MET A 8 18.401 11.152 -5.714 1.00 0.00 H new ATOM 0 HE3 MET A 8 16.912 11.570 -4.833 1.00 0.00 H new ATOM 119 N GLU A 9 16.690 8.322 0.683 1.00 0.00 N ATOM 120 CA GLU A 9 16.589 7.959 2.092 1.00 0.00 C ATOM 121 C GLU A 9 15.912 6.603 2.263 1.00 0.00 C ATOM 122 O GLU A 9 15.865 6.059 3.366 1.00 0.00 O ATOM 123 CB GLU A 9 15.810 9.027 2.862 1.00 0.00 C ATOM 124 CG GLU A 9 16.340 9.271 4.265 1.00 0.00 C ATOM 125 CD GLU A 9 15.671 10.449 4.946 1.00 0.00 C ATOM 126 OE1 GLU A 9 15.791 11.580 4.431 1.00 0.00 O ATOM 127 OE2 GLU A 9 15.026 10.240 5.995 1.00 0.00 O ATOM 0 H GLU A 9 16.187 7.700 0.050 1.00 0.00 H new ATOM 0 HA GLU A 9 17.600 7.893 2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.841 9.962 2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.764 8.728 2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.189 8.375 4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.415 9.446 4.218 1.00 0.00 H new ATOM 134 N VAL A 10 15.385 6.065 1.167 1.00 0.00 N ATOM 135 CA VAL A 10 14.707 4.773 1.202 1.00 0.00 C ATOM 136 C VAL A 10 15.313 3.804 0.192 1.00 0.00 C ATOM 137 O VAL A 10 15.566 4.165 -0.957 1.00 0.00 O ATOM 138 CB VAL A 10 13.198 4.921 0.917 1.00 0.00 C ATOM 139 CG1 VAL A 10 12.400 3.928 1.747 1.00 0.00 C ATOM 140 CG2 VAL A 10 12.735 6.344 1.191 1.00 0.00 C ATOM 0 H VAL A 10 15.414 6.502 0.246 1.00 0.00 H new ATOM 0 HA VAL A 10 14.841 4.374 2.207 1.00 0.00 H new ATOM 0 HB VAL A 10 13.026 4.705 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.338 4.046 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.710 2.913 1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.580 4.112 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.668 6.426 0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.922 6.593 2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.283 7.035 0.550 1.00 0.00 H new ATOM 150 N SER A 11 15.543 2.569 0.630 1.00 0.00 N ATOM 151 CA SER A 11 16.122 1.544 -0.234 1.00 0.00 C ATOM 152 C SER A 11 15.387 0.217 -0.079 1.00 0.00 C ATOM 153 O SER A 11 15.641 -0.539 0.859 1.00 0.00 O ATOM 154 CB SER A 11 17.606 1.354 0.086 1.00 0.00 C ATOM 155 OG SER A 11 18.279 0.709 -0.980 1.00 0.00 O ATOM 0 H SER A 11 15.337 2.254 1.578 1.00 0.00 H new ATOM 0 HA SER A 11 16.017 1.879 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 11 18.067 2.323 0.278 1.00 0.00 H new ATOM 0 HB3 SER A 11 17.712 0.765 0.997 1.00 0.00 H new ATOM 0 HG SER A 11 19.226 0.601 -0.751 1.00 0.00 H new ATOM 161 N CYS A 12 14.478 -0.061 -1.009 1.00 0.00 N ATOM 162 CA CYS A 12 13.709 -1.300 -0.985 1.00 0.00 C ATOM 163 C CYS A 12 14.206 -2.253 -2.070 1.00 0.00 C ATOM 164 O CYS A 12 13.740 -2.206 -3.208 1.00 0.00 O ATOM 165 CB CYS A 12 12.219 -1.010 -1.186 1.00 0.00 C ATOM 166 SG CYS A 12 11.640 0.537 -0.414 1.00 0.00 S ATOM 0 H CYS A 12 14.256 0.557 -1.790 1.00 0.00 H new ATOM 0 HA CYS A 12 13.846 -1.771 -0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.011 -0.968 -2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.642 -1.841 -0.781 1.00 0.00 H new ATOM 171 N PRO A 13 15.175 -3.126 -1.737 1.00 0.00 N ATOM 172 CA PRO A 13 15.743 -4.079 -2.693 1.00 0.00 C ATOM 173 C PRO A 13 14.852 -5.298 -2.917 1.00 0.00 C ATOM 174 O PRO A 13 13.634 -5.231 -2.745 1.00 0.00 O ATOM 175 CB PRO A 13 17.051 -4.485 -2.019 1.00 0.00 C ATOM 176 CG PRO A 13 16.748 -4.406 -0.565 1.00 0.00 C ATOM 177 CD PRO A 13 15.803 -3.245 -0.405 1.00 0.00 C ATOM 0 HA PRO A 13 15.863 -3.645 -3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.354 -5.491 -2.309 1.00 0.00 H new ATOM 0 HB3 PRO A 13 17.866 -3.815 -2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 13 16.294 -5.331 -0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 13 17.657 -4.253 0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.063 -3.434 0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 13 16.331 -2.333 -0.127 1.00 0.00 H new ATOM 185 N ASP A 14 15.471 -6.409 -3.312 1.00 0.00 N ATOM 186 CA ASP A 14 14.745 -7.648 -3.573 1.00 0.00 C ATOM 187 C ASP A 14 13.937 -8.088 -2.357 1.00 0.00 C ATOM 188 O ASP A 14 14.442 -8.101 -1.234 1.00 0.00 O ATOM 189 CB ASP A 14 15.719 -8.756 -3.981 1.00 0.00 C ATOM 190 CG ASP A 14 15.920 -8.829 -5.483 1.00 0.00 C ATOM 191 OD1 ASP A 14 15.205 -8.113 -6.216 1.00 0.00 O ATOM 192 OD2 ASP A 14 16.793 -9.603 -5.928 1.00 0.00 O ATOM 0 H ASP A 14 16.478 -6.475 -3.459 1.00 0.00 H new ATOM 0 HA ASP A 14 14.049 -7.460 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.681 -8.586 -3.497 1.00 0.00 H new ATOM 0 HB3 ASP A 14 15.345 -9.715 -3.621 1.00 0.00 H new ATOM 197 N GLY A 15 12.678 -8.448 -2.593 1.00 0.00 N ATOM 198 CA GLY A 15 11.812 -8.884 -1.514 1.00 0.00 C ATOM 199 C GLY A 15 11.148 -7.723 -0.808 1.00 0.00 C ATOM 200 O GLY A 15 10.222 -7.916 -0.022 1.00 0.00 O ATOM 0 H GLY A 15 12.242 -8.445 -3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.047 -9.551 -1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.394 -9.460 -0.794 1.00 0.00 H new ATOM 204 N TYR A 16 11.618 -6.515 -1.093 1.00 0.00 N ATOM 205 CA TYR A 16 11.062 -5.318 -0.478 1.00 0.00 C ATOM 206 C TYR A 16 10.179 -4.557 -1.453 1.00 0.00 C ATOM 207 O TYR A 16 10.372 -4.622 -2.667 1.00 0.00 O ATOM 208 CB TYR A 16 12.175 -4.390 0.004 1.00 0.00 C ATOM 209 CG TYR A 16 13.027 -4.974 1.102 1.00 0.00 C ATOM 210 CD1 TYR A 16 13.994 -5.927 0.820 1.00 0.00 C ATOM 211 CD2 TYR A 16 12.865 -4.570 2.418 1.00 0.00 C ATOM 212 CE1 TYR A 16 14.780 -6.462 1.819 1.00 0.00 C ATOM 213 CE2 TYR A 16 13.645 -5.098 3.425 1.00 0.00 C ATOM 214 CZ TYR A 16 14.602 -6.045 3.122 1.00 0.00 C ATOM 215 OH TYR A 16 15.384 -6.575 4.124 1.00 0.00 O ATOM 0 H TYR A 16 12.382 -6.339 -1.745 1.00 0.00 H new ATOM 0 HA TYR A 16 10.461 -5.643 0.371 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.814 -4.136 -0.842 1.00 0.00 H new ATOM 0 HB3 TYR A 16 11.731 -3.460 0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.134 -6.256 -0.199 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.116 -3.830 2.658 1.00 0.00 H new ATOM 0 HE1 TYR A 16 15.530 -7.202 1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 16 13.508 -4.772 4.445 1.00 0.00 H new ATOM 0 HH TYR A 16 15.132 -6.174 4.982 1.00 0.00 H new ATOM 225 N THR A 17 9.227 -3.816 -0.906 1.00 0.00 N ATOM 226 CA THR A 17 8.328 -3.010 -1.714 1.00 0.00 C ATOM 227 C THR A 17 8.435 -1.549 -1.304 1.00 0.00 C ATOM 228 O THR A 17 8.555 -1.237 -0.118 1.00 0.00 O ATOM 229 CB THR A 17 6.864 -3.480 -1.592 1.00 0.00 C ATOM 230 OG1 THR A 17 6.066 -2.861 -2.607 1.00 0.00 O ATOM 231 CG2 THR A 17 6.290 -3.150 -0.223 1.00 0.00 C ATOM 0 H THR A 17 9.058 -3.757 0.098 1.00 0.00 H new ATOM 0 HA THR A 17 8.627 -3.126 -2.756 1.00 0.00 H new ATOM 0 HB THR A 17 6.848 -4.562 -1.719 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.138 -3.165 -2.525 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.257 -3.494 -0.169 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.879 -3.647 0.548 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.322 -2.072 -0.065 1.00 0.00 H new ATOM 239 N CYS A 18 8.403 -0.657 -2.287 1.00 0.00 N ATOM 240 CA CYS A 18 8.510 0.770 -2.022 1.00 0.00 C ATOM 241 C CYS A 18 7.149 1.439 -2.136 1.00 0.00 C ATOM 242 O CYS A 18 6.588 1.547 -3.227 1.00 0.00 O ATOM 243 CB CYS A 18 9.496 1.419 -2.997 1.00 0.00 C ATOM 244 SG CYS A 18 9.110 3.151 -3.409 1.00 0.00 S ATOM 0 H CYS A 18 8.304 -0.898 -3.273 1.00 0.00 H new ATOM 0 HA CYS A 18 8.879 0.903 -1.005 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.497 1.374 -2.567 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.517 0.835 -3.917 1.00 0.00 H new ATOM 249 N CYS A 19 6.620 1.882 -1.002 1.00 0.00 N ATOM 250 CA CYS A 19 5.320 2.535 -0.979 1.00 0.00 C ATOM 251 C CYS A 19 5.245 3.585 0.124 1.00 0.00 C ATOM 252 O CYS A 19 5.778 3.392 1.216 1.00 0.00 O ATOM 253 CB CYS A 19 4.212 1.501 -0.790 1.00 0.00 C ATOM 254 SG CYS A 19 2.690 1.882 -1.717 1.00 0.00 S ATOM 0 H CYS A 19 7.070 1.801 -0.090 1.00 0.00 H new ATOM 0 HA CYS A 19 5.183 3.038 -1.936 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.582 0.524 -1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.972 1.428 0.271 1.00 0.00 H new ATOM 259 N ARG A 20 4.572 4.692 -0.174 1.00 0.00 N ATOM 260 CA ARG A 20 4.416 5.779 0.785 1.00 0.00 C ATOM 261 C ARG A 20 3.760 5.279 2.068 1.00 0.00 C ATOM 262 O ARG A 20 3.007 4.305 2.054 1.00 0.00 O ATOM 263 CB ARG A 20 3.576 6.901 0.172 1.00 0.00 C ATOM 264 CG ARG A 20 4.378 7.872 -0.677 1.00 0.00 C ATOM 265 CD ARG A 20 4.936 9.014 0.157 1.00 0.00 C ATOM 266 NE ARG A 20 4.269 10.282 -0.135 1.00 0.00 N ATOM 267 CZ ARG A 20 4.424 10.953 -1.273 1.00 0.00 C ATOM 268 NH1 ARG A 20 5.225 10.484 -2.221 1.00 0.00 N ATOM 269 NH2 ARG A 20 3.777 12.095 -1.463 1.00 0.00 N ATOM 0 H ARG A 20 4.125 4.860 -1.075 1.00 0.00 H new ATOM 0 HA ARG A 20 5.405 6.165 1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.790 6.460 -0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.084 7.453 0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.197 7.341 -1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.745 8.274 -1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.822 8.780 1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.004 9.114 -0.034 1.00 0.00 H new ATOM 0 HE ARG A 20 3.650 10.674 0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.724 9.606 -2.078 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.341 11.001 -3.092 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.160 12.459 -0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.896 12.609 -2.336 1.00 0.00 H new ATOM 283 N LEU A 21 4.050 5.953 3.176 1.00 0.00 N ATOM 284 CA LEU A 21 3.488 5.581 4.469 1.00 0.00 C ATOM 285 C LEU A 21 2.449 6.602 4.917 1.00 0.00 C ATOM 286 O LEU A 21 1.244 6.371 4.802 1.00 0.00 O ATOM 287 CB LEU A 21 4.597 5.473 5.519 1.00 0.00 C ATOM 288 CG LEU A 21 5.356 4.145 5.528 1.00 0.00 C ATOM 289 CD1 LEU A 21 6.691 4.301 6.240 1.00 0.00 C ATOM 290 CD2 LEU A 21 4.522 3.059 6.188 1.00 0.00 C ATOM 0 H LEU A 21 4.672 6.761 3.204 1.00 0.00 H new ATOM 0 HA LEU A 21 3.002 4.611 4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.311 6.280 5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.159 5.630 6.505 1.00 0.00 H new ATOM 0 HG LEU A 21 5.548 3.850 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.218 3.347 6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.293 5.050 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.520 4.618 7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.078 2.121 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.299 3.346 7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.590 2.930 5.637 1.00 0.00 H new ATOM 302 N GLN A 22 2.927 7.734 5.420 1.00 0.00 N ATOM 303 CA GLN A 22 2.049 8.801 5.879 1.00 0.00 C ATOM 304 C GLN A 22 2.083 9.972 4.905 1.00 0.00 C ATOM 305 O GLN A 22 1.904 11.125 5.299 1.00 0.00 O ATOM 306 CB GLN A 22 2.470 9.270 7.273 1.00 0.00 C ATOM 307 CG GLN A 22 2.005 8.353 8.391 1.00 0.00 C ATOM 308 CD GLN A 22 2.036 9.028 9.750 1.00 0.00 C ATOM 309 OE1 GLN A 22 2.383 8.409 10.756 1.00 0.00 O ATOM 310 NE2 GLN A 22 1.672 10.305 9.786 1.00 0.00 N ATOM 0 H GLN A 22 3.922 7.936 5.520 1.00 0.00 H new ATOM 0 HA GLN A 22 1.031 8.414 5.928 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.557 9.349 7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.072 10.270 7.446 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.990 8.015 8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.638 7.466 8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.391 10.780 8.928 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.673 10.811 10.672 1.00 0.00 H new ATOM 319 N SER A 23 2.321 9.662 3.631 1.00 0.00 N ATOM 320 CA SER A 23 2.386 10.680 2.587 1.00 0.00 C ATOM 321 C SER A 23 3.549 11.636 2.832 1.00 0.00 C ATOM 322 O SER A 23 3.662 12.674 2.179 1.00 0.00 O ATOM 323 CB SER A 23 1.077 11.463 2.524 1.00 0.00 C ATOM 324 OG SER A 23 0.983 12.210 1.323 1.00 0.00 O ATOM 0 H SER A 23 2.472 8.710 3.298 1.00 0.00 H new ATOM 0 HA SER A 23 2.545 10.175 1.634 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.235 10.775 2.594 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.011 12.135 3.379 1.00 0.00 H new ATOM 0 HG SER A 23 1.834 12.667 1.154 1.00 0.00 H new ATOM 330 N GLY A 24 4.409 11.278 3.778 1.00 0.00 N ATOM 331 CA GLY A 24 5.551 12.110 4.097 1.00 0.00 C ATOM 332 C GLY A 24 6.864 11.419 3.805 1.00 0.00 C ATOM 333 O GLY A 24 7.922 12.050 3.822 1.00 0.00 O ATOM 0 H GLY A 24 4.334 10.424 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.495 13.036 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.514 12.385 5.151 1.00 0.00 H new ATOM 337 N ALA A 25 6.797 10.120 3.539 1.00 0.00 N ATOM 338 CA ALA A 25 7.993 9.339 3.244 1.00 0.00 C ATOM 339 C ALA A 25 7.638 7.967 2.687 1.00 0.00 C ATOM 340 O ALA A 25 6.514 7.491 2.849 1.00 0.00 O ATOM 341 CB ALA A 25 8.847 9.195 4.495 1.00 0.00 C ATOM 0 H ALA A 25 5.928 9.585 3.521 1.00 0.00 H new ATOM 0 HA ALA A 25 8.562 9.871 2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.737 8.610 4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.144 10.182 4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.273 8.689 5.271 1.00 0.00 H new ATOM 347 N TRP A 26 8.606 7.332 2.036 1.00 0.00 N ATOM 348 CA TRP A 26 8.401 6.010 1.458 1.00 0.00 C ATOM 349 C TRP A 26 8.745 4.922 2.467 1.00 0.00 C ATOM 350 O TRP A 26 9.407 5.181 3.473 1.00 0.00 O ATOM 351 CB TRP A 26 9.250 5.842 0.196 1.00 0.00 C ATOM 352 CG TRP A 26 8.912 6.833 -0.874 1.00 0.00 C ATOM 353 CD1 TRP A 26 9.556 8.007 -1.140 1.00 0.00 C ATOM 354 CD2 TRP A 26 7.843 6.737 -1.819 1.00 0.00 C ATOM 355 NE1 TRP A 26 8.951 8.648 -2.195 1.00 0.00 N ATOM 356 CE2 TRP A 26 7.896 7.888 -2.628 1.00 0.00 C ATOM 357 CE3 TRP A 26 6.846 5.789 -2.059 1.00 0.00 C ATOM 358 CZ2 TRP A 26 6.988 8.114 -3.659 1.00 0.00 C ATOM 359 CZ3 TRP A 26 5.946 6.014 -3.082 1.00 0.00 C ATOM 360 CH2 TRP A 26 6.022 7.168 -3.871 1.00 0.00 C ATOM 0 H TRP A 26 9.542 7.712 1.895 1.00 0.00 H new ATOM 0 HA TRP A 26 7.349 5.915 1.190 1.00 0.00 H new ATOM 0 HB2 TRP A 26 10.303 5.943 0.457 1.00 0.00 H new ATOM 0 HB3 TRP A 26 9.114 4.834 -0.195 1.00 0.00 H new ATOM 0 HD1 TRP A 26 10.415 8.378 -0.601 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.240 9.543 -2.591 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.780 4.896 -1.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.044 9.003 -4.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.171 5.288 -3.277 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.303 7.315 -4.664 1.00 0.00 H new ATOM 371 N GLY A 27 8.287 3.706 2.195 1.00 0.00 N ATOM 372 CA GLY A 27 8.552 2.597 3.092 1.00 0.00 C ATOM 373 C GLY A 27 8.924 1.325 2.355 1.00 0.00 C ATOM 374 O GLY A 27 8.405 1.053 1.270 1.00 0.00 O ATOM 0 H GLY A 27 7.737 3.468 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.361 2.869 3.770 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.670 2.412 3.705 1.00 0.00 H new ATOM 378 N CYS A 28 9.826 0.548 2.950 1.00 0.00 N ATOM 379 CA CYS A 28 10.276 -0.707 2.355 1.00 0.00 C ATOM 380 C CYS A 28 9.734 -1.904 3.127 1.00 0.00 C ATOM 381 O CYS A 28 10.169 -2.183 4.243 1.00 0.00 O ATOM 382 CB CYS A 28 11.805 -0.766 2.328 1.00 0.00 C ATOM 383 SG CYS A 28 12.588 0.579 1.383 1.00 0.00 S ATOM 0 H CYS A 28 10.261 0.767 3.846 1.00 0.00 H new ATOM 0 HA CYS A 28 9.894 -0.748 1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.176 -0.739 3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.113 -1.721 1.902 1.00 0.00 H new ATOM 388 N CYS A 29 8.788 -2.616 2.521 1.00 0.00 N ATOM 389 CA CYS A 29 8.201 -3.792 3.156 1.00 0.00 C ATOM 390 C CYS A 29 8.764 -5.069 2.528 1.00 0.00 C ATOM 391 O CYS A 29 8.598 -5.305 1.331 1.00 0.00 O ATOM 392 CB CYS A 29 6.677 -3.766 3.034 1.00 0.00 C ATOM 393 SG CYS A 29 5.800 -4.406 4.498 1.00 0.00 S ATOM 0 H CYS A 29 8.413 -2.401 1.597 1.00 0.00 H new ATOM 0 HA CYS A 29 8.460 -3.779 4.215 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.356 -2.741 2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.383 -4.352 2.163 1.00 0.00 H new ATOM 398 N PRO A 30 9.459 -5.902 3.331 1.00 0.00 N ATOM 399 CA PRO A 30 10.073 -7.152 2.854 1.00 0.00 C ATOM 400 C PRO A 30 9.073 -8.294 2.700 1.00 0.00 C ATOM 401 O PRO A 30 9.102 -9.265 3.459 1.00 0.00 O ATOM 402 CB PRO A 30 11.066 -7.473 3.966 1.00 0.00 C ATOM 403 CG PRO A 30 10.388 -6.969 5.186 1.00 0.00 C ATOM 404 CD PRO A 30 9.723 -5.687 4.770 1.00 0.00 C ATOM 0 HA PRO A 30 10.512 -7.038 1.863 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.266 -8.543 4.030 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.024 -6.978 3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.658 -7.689 5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.103 -6.798 5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.803 -5.510 5.327 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.368 -4.825 4.938 1.00 0.00 H new ATOM 412 N PHE A 31 8.196 -8.179 1.713 1.00 0.00 N ATOM 413 CA PHE A 31 7.194 -9.209 1.458 1.00 0.00 C ATOM 414 C PHE A 31 6.617 -9.078 0.050 1.00 0.00 C ATOM 415 O PHE A 31 6.998 -8.183 -0.706 1.00 0.00 O ATOM 416 CB PHE A 31 6.076 -9.131 2.505 1.00 0.00 C ATOM 417 CG PHE A 31 5.042 -8.067 2.237 1.00 0.00 C ATOM 418 CD1 PHE A 31 5.411 -6.812 1.774 1.00 0.00 C ATOM 419 CD2 PHE A 31 3.698 -8.326 2.456 1.00 0.00 C ATOM 420 CE1 PHE A 31 4.458 -5.841 1.533 1.00 0.00 C ATOM 421 CE2 PHE A 31 2.743 -7.357 2.218 1.00 0.00 C ATOM 422 CZ PHE A 31 3.123 -6.113 1.756 1.00 0.00 C ATOM 0 H PHE A 31 8.156 -7.384 1.075 1.00 0.00 H new ATOM 0 HA PHE A 31 7.679 -10.182 1.533 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.578 -10.099 2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.523 -8.948 3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.454 -6.592 1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.394 -9.297 2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.758 -4.869 1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.699 -7.573 2.393 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.378 -5.354 1.569 1.00 0.00 H new ATOM 432 N THR A 32 5.693 -9.970 -0.291 1.00 0.00 N ATOM 433 CA THR A 32 5.060 -9.947 -1.603 1.00 0.00 C ATOM 434 C THR A 32 3.906 -8.948 -1.629 1.00 0.00 C ATOM 435 O THR A 32 3.675 -8.234 -0.653 1.00 0.00 O ATOM 436 CB THR A 32 4.538 -11.343 -1.999 1.00 0.00 C ATOM 437 OG1 THR A 32 4.236 -11.377 -3.399 1.00 0.00 O ATOM 438 CG2 THR A 32 3.297 -11.713 -1.197 1.00 0.00 C ATOM 0 H THR A 32 5.367 -10.717 0.323 1.00 0.00 H new ATOM 0 HA THR A 32 5.819 -9.641 -2.323 1.00 0.00 H new ATOM 0 HB THR A 32 5.320 -12.070 -1.778 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.907 -12.268 -3.641 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.951 -12.702 -1.497 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.539 -11.721 -0.134 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.511 -10.981 -1.385 1.00 0.00 H new ATOM 446 N GLN A 33 3.185 -8.905 -2.746 1.00 0.00 N ATOM 447 CA GLN A 33 2.054 -7.993 -2.892 1.00 0.00 C ATOM 448 C GLN A 33 2.487 -6.549 -2.654 1.00 0.00 C ATOM 449 O GLN A 33 3.675 -6.228 -2.729 1.00 0.00 O ATOM 450 CB GLN A 33 0.937 -8.377 -1.918 1.00 0.00 C ATOM 451 CG GLN A 33 -0.365 -8.754 -2.604 1.00 0.00 C ATOM 452 CD GLN A 33 -0.441 -10.230 -2.940 1.00 0.00 C ATOM 453 OE1 GLN A 33 -0.284 -11.086 -2.069 1.00 0.00 O ATOM 454 NE2 GLN A 33 -0.681 -10.538 -4.210 1.00 0.00 N ATOM 0 H GLN A 33 3.363 -9.490 -3.562 1.00 0.00 H new ATOM 0 HA GLN A 33 1.678 -8.074 -3.912 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.272 -9.215 -1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.753 -7.542 -1.242 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.202 -8.489 -1.958 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.471 -8.171 -3.519 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.805 -9.797 -4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.741 -11.515 -4.495 1.00 0.00 H new ATOM 463 N ALA A 34 1.522 -5.679 -2.369 1.00 0.00 N ATOM 464 CA ALA A 34 1.814 -4.271 -2.124 1.00 0.00 C ATOM 465 C ALA A 34 0.829 -3.663 -1.130 1.00 0.00 C ATOM 466 O ALA A 34 -0.367 -3.566 -1.406 1.00 0.00 O ATOM 467 CB ALA A 34 1.789 -3.495 -3.433 1.00 0.00 C ATOM 0 H ALA A 34 0.534 -5.924 -2.302 1.00 0.00 H new ATOM 0 HA ALA A 34 2.811 -4.205 -1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.008 -2.445 -3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.538 -3.902 -4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.802 -3.581 -3.888 1.00 0.00 H new ATOM 473 N VAL A 35 1.343 -3.250 0.026 1.00 0.00 N ATOM 474 CA VAL A 35 0.512 -2.645 1.062 1.00 0.00 C ATOM 475 C VAL A 35 1.098 -1.312 1.519 1.00 0.00 C ATOM 476 O VAL A 35 2.311 -1.182 1.685 1.00 0.00 O ATOM 477 CB VAL A 35 0.356 -3.573 2.280 1.00 0.00 C ATOM 478 CG1 VAL A 35 -0.603 -2.969 3.294 1.00 0.00 C ATOM 479 CG2 VAL A 35 -0.119 -4.951 1.844 1.00 0.00 C ATOM 0 H VAL A 35 2.331 -3.324 0.268 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.471 -2.479 0.622 1.00 0.00 H new ATOM 0 HB VAL A 35 1.330 -3.682 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.700 -3.640 4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.218 -2.007 3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.580 -2.827 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.224 -5.593 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.082 -4.862 1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.608 -5.387 1.159 1.00 0.00 H new ATOM 489 N CYS A 36 0.228 -0.325 1.717 1.00 0.00 N ATOM 490 CA CYS A 36 0.652 1.004 2.148 1.00 0.00 C ATOM 491 C CYS A 36 -0.555 1.897 2.418 1.00 0.00 C ATOM 492 O CYS A 36 -0.550 3.084 2.087 1.00 0.00 O ATOM 493 CB CYS A 36 1.543 1.645 1.082 1.00 0.00 C ATOM 494 SG CYS A 36 1.215 1.046 -0.607 1.00 0.00 S ATOM 0 H CYS A 36 -0.779 -0.421 1.585 1.00 0.00 H new ATOM 0 HA CYS A 36 1.219 0.897 3.073 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.404 2.726 1.108 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.587 1.452 1.330 1.00 0.00 H new ATOM 499 N CYS A 37 -1.589 1.316 3.015 1.00 0.00 N ATOM 500 CA CYS A 37 -2.809 2.054 3.327 1.00 0.00 C ATOM 501 C CYS A 37 -2.542 3.157 4.345 1.00 0.00 C ATOM 502 O CYS A 37 -1.473 3.211 4.953 1.00 0.00 O ATOM 503 CB CYS A 37 -3.883 1.104 3.859 1.00 0.00 C ATOM 504 SG CYS A 37 -3.232 -0.471 4.502 1.00 0.00 S ATOM 0 H CYS A 37 -1.608 0.335 3.293 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.164 2.517 2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.437 1.607 4.652 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.593 0.892 3.060 1.00 0.00 H new ATOM 509 N GLU A 38 -3.524 4.036 4.525 1.00 0.00 N ATOM 510 CA GLU A 38 -3.403 5.142 5.469 1.00 0.00 C ATOM 511 C GLU A 38 -3.375 4.633 6.906 1.00 0.00 C ATOM 512 O GLU A 38 -3.664 3.464 7.165 1.00 0.00 O ATOM 513 CB GLU A 38 -4.565 6.121 5.287 1.00 0.00 C ATOM 514 CG GLU A 38 -4.147 7.466 4.718 1.00 0.00 C ATOM 515 CD GLU A 38 -5.171 8.554 4.979 1.00 0.00 C ATOM 516 OE1 GLU A 38 -5.963 8.406 5.934 1.00 0.00 O ATOM 517 OE2 GLU A 38 -5.181 9.552 4.230 1.00 0.00 O ATOM 0 H GLU A 38 -4.414 4.003 4.028 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.464 5.657 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.307 5.672 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.050 6.279 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.192 7.759 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.991 7.369 3.644 1.00 0.00 H new ATOM 524 N ASP A 39 -3.029 5.520 7.835 1.00 0.00 N ATOM 525 CA ASP A 39 -2.964 5.166 9.250 1.00 0.00 C ATOM 526 C ASP A 39 -2.036 3.975 9.473 1.00 0.00 C ATOM 527 O ASP A 39 -1.212 3.650 8.616 1.00 0.00 O ATOM 528 CB ASP A 39 -4.362 4.851 9.785 1.00 0.00 C ATOM 529 CG ASP A 39 -5.235 6.087 9.886 1.00 0.00 C ATOM 530 OD1 ASP A 39 -5.060 6.860 10.851 1.00 0.00 O ATOM 531 OD2 ASP A 39 -6.092 6.282 8.999 1.00 0.00 O ATOM 0 H ASP A 39 -2.789 6.491 7.633 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.561 6.021 9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.842 4.123 9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.276 4.389 10.768 1.00 0.00 H new ATOM 536 N HIS A 40 -2.174 3.330 10.630 1.00 0.00 N ATOM 537 CA HIS A 40 -1.349 2.175 10.970 1.00 0.00 C ATOM 538 C HIS A 40 0.134 2.531 10.921 1.00 0.00 C ATOM 539 O HIS A 40 0.499 3.704 10.839 1.00 0.00 O ATOM 540 CB HIS A 40 -1.640 1.013 10.015 1.00 0.00 C ATOM 541 CG HIS A 40 -2.058 -0.247 10.710 1.00 0.00 C ATOM 542 ND1 HIS A 40 -3.270 -0.865 10.485 1.00 0.00 N ATOM 543 CD2 HIS A 40 -1.414 -1.008 11.628 1.00 0.00 C ATOM 544 CE1 HIS A 40 -3.355 -1.950 11.235 1.00 0.00 C ATOM 545 NE2 HIS A 40 -2.242 -2.058 11.937 1.00 0.00 N ATOM 0 H HIS A 40 -2.851 3.589 11.348 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.597 1.870 11.987 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.425 1.312 9.321 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.749 0.811 9.420 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.433 -0.823 12.039 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -4.192 -2.632 11.268 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.031 -2.802 12.602 1.00 0.00 H new ATOM 554 N ILE A 41 0.983 1.510 10.971 1.00 0.00 N ATOM 555 CA ILE A 41 2.426 1.712 10.930 1.00 0.00 C ATOM 556 C ILE A 41 3.105 0.606 10.129 1.00 0.00 C ATOM 557 O ILE A 41 4.229 0.769 9.652 1.00 0.00 O ATOM 558 CB ILE A 41 3.028 1.762 12.351 1.00 0.00 C ATOM 559 CG1 ILE A 41 4.488 2.217 12.298 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.914 0.403 13.028 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.653 3.701 12.055 1.00 0.00 C ATOM 0 H ILE A 41 0.696 0.534 11.040 1.00 0.00 H new ATOM 0 HA ILE A 41 2.604 2.670 10.442 1.00 0.00 H new ATOM 0 HB ILE A 41 2.464 2.486 12.939 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.975 1.955 13.237 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.002 1.669 11.508 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.343 0.458 14.028 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.864 0.119 13.099 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.453 -0.342 12.442 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.714 3.950 12.030 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.195 3.967 11.102 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.169 4.257 12.858 1.00 0.00 H new ATOM 573 N HIS A 42 2.411 -0.519 9.985 1.00 0.00 N ATOM 574 CA HIS A 42 2.939 -1.656 9.241 1.00 0.00 C ATOM 575 C HIS A 42 2.136 -1.890 7.965 1.00 0.00 C ATOM 576 O HIS A 42 1.041 -1.351 7.801 1.00 0.00 O ATOM 577 CB HIS A 42 2.917 -2.916 10.108 1.00 0.00 C ATOM 578 CG HIS A 42 3.857 -2.861 11.271 1.00 0.00 C ATOM 579 ND1 HIS A 42 3.435 -2.910 12.584 1.00 0.00 N ATOM 580 CD2 HIS A 42 5.207 -2.766 11.317 1.00 0.00 C ATOM 581 CE1 HIS A 42 4.483 -2.846 13.385 1.00 0.00 C ATOM 582 NE2 HIS A 42 5.571 -2.760 12.641 1.00 0.00 N ATOM 0 H HIS A 42 1.480 -0.667 10.375 1.00 0.00 H new ATOM 0 HA HIS A 42 3.969 -1.431 8.966 1.00 0.00 H new ATOM 0 HB2 HIS A 42 1.904 -3.074 10.478 1.00 0.00 H new ATOM 0 HB3 HIS A 42 3.169 -3.777 9.489 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.874 -2.706 10.470 1.00 0.00 H new ATOM 0 HE1 HIS A 42 4.455 -2.861 14.465 1.00 0.00 H new ATOM 0 HE2 HIS A 42 6.526 -2.699 12.993 1.00 0.00 H new ATOM 591 N CYS A 43 2.686 -2.701 7.068 1.00 0.00 N ATOM 592 CA CYS A 43 2.021 -3.011 5.806 1.00 0.00 C ATOM 593 C CYS A 43 1.225 -4.308 5.919 1.00 0.00 C ATOM 594 O CYS A 43 1.015 -5.005 4.926 1.00 0.00 O ATOM 595 CB CYS A 43 3.049 -3.127 4.677 1.00 0.00 C ATOM 596 SG CYS A 43 4.767 -2.799 5.192 1.00 0.00 S ATOM 0 H CYS A 43 3.591 -3.156 7.191 1.00 0.00 H new ATOM 0 HA CYS A 43 1.332 -2.198 5.577 1.00 0.00 H new ATOM 0 HB2 CYS A 43 2.994 -4.130 4.253 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.780 -2.430 3.883 1.00 0.00 H new ATOM 601 N CYS A 44 0.786 -4.623 7.139 1.00 0.00 N ATOM 602 CA CYS A 44 0.012 -5.836 7.393 1.00 0.00 C ATOM 603 C CYS A 44 0.834 -7.089 7.090 1.00 0.00 C ATOM 604 O CYS A 44 1.794 -7.039 6.321 1.00 0.00 O ATOM 605 CB CYS A 44 -1.268 -5.845 6.551 1.00 0.00 C ATOM 606 SG CYS A 44 -2.379 -4.437 6.861 1.00 0.00 S ATOM 0 H CYS A 44 0.955 -4.052 7.967 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.254 -5.841 8.450 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.995 -5.852 5.496 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.810 -6.770 6.746 1.00 0.00 H new ATOM 611 N PRO A 45 0.467 -8.238 7.690 1.00 0.00 N ATOM 612 CA PRO A 45 1.178 -9.502 7.471 1.00 0.00 C ATOM 613 C PRO A 45 1.221 -9.891 5.994 1.00 0.00 C ATOM 614 O PRO A 45 0.734 -9.158 5.133 1.00 0.00 O ATOM 615 CB PRO A 45 0.370 -10.530 8.275 1.00 0.00 C ATOM 616 CG PRO A 45 -0.937 -9.872 8.564 1.00 0.00 C ATOM 617 CD PRO A 45 -0.659 -8.399 8.624 1.00 0.00 C ATOM 0 HA PRO A 45 2.220 -9.436 7.782 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.229 -11.450 7.707 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.885 -10.800 9.197 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.667 -10.099 7.787 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.353 -10.229 9.507 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.525 -7.812 8.318 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.397 -8.078 9.632 1.00 0.00 H new ATOM 625 N ALA A 46 1.818 -11.043 5.707 1.00 0.00 N ATOM 626 CA ALA A 46 1.938 -11.521 4.334 1.00 0.00 C ATOM 627 C ALA A 46 0.603 -12.005 3.778 1.00 0.00 C ATOM 628 O ALA A 46 -0.074 -12.831 4.390 1.00 0.00 O ATOM 629 CB ALA A 46 2.976 -12.630 4.254 1.00 0.00 C ATOM 0 H ALA A 46 2.226 -11.663 6.407 1.00 0.00 H new ATOM 0 HA ALA A 46 2.260 -10.680 3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.057 -12.979 3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.942 -12.249 4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.674 -13.458 4.895 1.00 0.00 H new ATOM 635 N GLY A 47 0.241 -11.490 2.604 1.00 0.00 N ATOM 636 CA GLY A 47 -1.002 -11.887 1.966 1.00 0.00 C ATOM 637 C GLY A 47 -2.153 -10.937 2.250 1.00 0.00 C ATOM 638 O GLY A 47 -3.140 -10.919 1.518 1.00 0.00 O ATOM 0 H GLY A 47 0.788 -10.804 2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.847 -11.947 0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.273 -12.887 2.305 1.00 0.00 H new ATOM 642 N PHE A 48 -2.036 -10.156 3.318 1.00 0.00 N ATOM 643 CA PHE A 48 -3.089 -9.222 3.694 1.00 0.00 C ATOM 644 C PHE A 48 -2.977 -7.919 2.916 1.00 0.00 C ATOM 645 O PHE A 48 -2.061 -7.126 3.133 1.00 0.00 O ATOM 646 CB PHE A 48 -3.030 -8.932 5.196 1.00 0.00 C ATOM 647 CG PHE A 48 -3.271 -10.137 6.063 1.00 0.00 C ATOM 648 CD1 PHE A 48 -2.610 -11.332 5.824 1.00 0.00 C ATOM 649 CD2 PHE A 48 -4.155 -10.068 7.128 1.00 0.00 C ATOM 650 CE1 PHE A 48 -2.826 -12.433 6.625 1.00 0.00 C ATOM 651 CE2 PHE A 48 -4.374 -11.167 7.935 1.00 0.00 C ATOM 652 CZ PHE A 48 -3.708 -12.352 7.684 1.00 0.00 C ATOM 0 H PHE A 48 -1.225 -10.151 3.937 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.045 -9.685 3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.052 -8.514 5.437 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.771 -8.170 5.438 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.916 -11.401 4.999 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.678 -9.145 7.329 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.306 -13.358 6.424 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.065 -11.101 8.762 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.877 -13.212 8.315 1.00 0.00 H new ATOM 662 N THR A 49 -3.927 -7.705 2.016 1.00 0.00 N ATOM 663 CA THR A 49 -3.958 -6.498 1.205 1.00 0.00 C ATOM 664 C THR A 49 -5.039 -5.551 1.705 1.00 0.00 C ATOM 665 O THR A 49 -6.103 -5.991 2.139 1.00 0.00 O ATOM 666 CB THR A 49 -4.218 -6.822 -0.278 1.00 0.00 C ATOM 667 OG1 THR A 49 -3.535 -8.026 -0.644 1.00 0.00 O ATOM 668 CG2 THR A 49 -3.758 -5.680 -1.171 1.00 0.00 C ATOM 0 H THR A 49 -4.690 -8.356 1.829 1.00 0.00 H new ATOM 0 HA THR A 49 -2.981 -6.022 1.292 1.00 0.00 H new ATOM 0 HB THR A 49 -5.291 -6.958 -0.414 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.707 -8.226 -1.588 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.952 -5.932 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.302 -4.772 -0.910 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.690 -5.516 -1.030 1.00 0.00 H new ATOM 676 N CYS A 50 -4.760 -4.254 1.640 1.00 0.00 N ATOM 677 CA CYS A 50 -5.705 -3.237 2.088 1.00 0.00 C ATOM 678 C CYS A 50 -6.708 -2.909 0.998 1.00 0.00 C ATOM 679 O CYS A 50 -6.338 -2.632 -0.143 1.00 0.00 O ATOM 680 CB CYS A 50 -4.955 -1.968 2.499 1.00 0.00 C ATOM 681 SG CYS A 50 -4.790 -1.752 4.300 1.00 0.00 S ATOM 0 H CYS A 50 -3.882 -3.880 1.279 1.00 0.00 H new ATOM 0 HA CYS A 50 -6.246 -3.632 2.947 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.960 -1.986 2.053 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.473 -1.103 2.086 1.00 0.00 H new ATOM 686 N ASP A 51 -7.982 -2.925 1.365 1.00 0.00 N ATOM 687 CA ASP A 51 -9.043 -2.612 0.428 1.00 0.00 C ATOM 688 C ASP A 51 -9.201 -1.107 0.354 1.00 0.00 C ATOM 689 O ASP A 51 -9.165 -0.430 1.388 1.00 0.00 O ATOM 690 CB ASP A 51 -10.359 -3.263 0.861 1.00 0.00 C ATOM 691 CG ASP A 51 -10.909 -4.215 -0.184 1.00 0.00 C ATOM 692 OD1 ASP A 51 -10.220 -4.445 -1.199 1.00 0.00 O ATOM 693 OD2 ASP A 51 -12.029 -4.731 0.014 1.00 0.00 O ATOM 0 H ASP A 51 -8.302 -3.152 2.306 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.784 -3.005 -0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.203 -3.804 1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.096 -2.486 1.063 1.00 0.00 H new ATOM 698 N THR A 52 -9.347 -0.595 -0.871 1.00 0.00 N ATOM 699 CA THR A 52 -9.485 0.838 -1.109 1.00 0.00 C ATOM 700 C THR A 52 -10.865 1.349 -0.704 1.00 0.00 C ATOM 701 O THR A 52 -11.515 2.090 -1.443 1.00 0.00 O ATOM 702 CB THR A 52 -9.222 1.184 -2.588 1.00 0.00 C ATOM 703 OG1 THR A 52 -9.418 2.585 -2.812 1.00 0.00 O ATOM 704 CG2 THR A 52 -10.137 0.385 -3.506 1.00 0.00 C ATOM 0 H THR A 52 -9.372 -1.161 -1.719 1.00 0.00 H new ATOM 0 HA THR A 52 -8.738 1.332 -0.488 1.00 0.00 H new ATOM 0 HB THR A 52 -8.188 0.923 -2.816 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.341 2.826 -2.588 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.931 0.648 -4.544 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.959 -0.680 -3.359 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.177 0.615 -3.273 1.00 0.00 H new ATOM 712 N GLN A 53 -11.294 0.958 0.484 1.00 0.00 N ATOM 713 CA GLN A 53 -12.576 1.374 1.022 1.00 0.00 C ATOM 714 C GLN A 53 -12.385 1.850 2.451 1.00 0.00 C ATOM 715 O GLN A 53 -13.128 2.696 2.948 1.00 0.00 O ATOM 716 CB GLN A 53 -13.576 0.218 0.973 1.00 0.00 C ATOM 717 CG GLN A 53 -13.337 -0.849 2.031 1.00 0.00 C ATOM 718 CD GLN A 53 -14.609 -1.568 2.431 1.00 0.00 C ATOM 719 OE1 GLN A 53 -15.068 -2.474 1.735 1.00 0.00 O ATOM 720 NE2 GLN A 53 -15.188 -1.166 3.556 1.00 0.00 N ATOM 0 H GLN A 53 -10.763 0.344 1.102 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.974 2.190 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.583 0.616 1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.533 -0.245 -0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.617 -1.575 1.653 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.892 -0.388 2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.773 -0.411 4.102 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.048 -1.612 3.875 1.00 0.00 H new ATOM 729 N LYS A 54 -11.365 1.295 3.100 1.00 0.00 N ATOM 730 CA LYS A 54 -11.041 1.648 4.474 1.00 0.00 C ATOM 731 C LYS A 54 -9.749 0.965 4.891 1.00 0.00 C ATOM 732 O LYS A 54 -9.578 0.593 6.053 1.00 0.00 O ATOM 733 CB LYS A 54 -12.174 1.227 5.413 1.00 0.00 C ATOM 734 CG LYS A 54 -12.260 2.059 6.683 1.00 0.00 C ATOM 735 CD LYS A 54 -12.502 3.529 6.375 1.00 0.00 C ATOM 736 CE LYS A 54 -13.687 4.076 7.155 1.00 0.00 C ATOM 737 NZ LYS A 54 -14.450 5.083 6.369 1.00 0.00 N ATOM 0 H LYS A 54 -10.747 0.595 2.691 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.915 2.729 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -13.121 1.298 4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.038 0.180 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.066 1.681 7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.336 1.953 7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.609 4.104 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.680 3.653 5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.348 3.256 7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.334 4.530 8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.250 5.432 6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.826 5.878 6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.809 4.644 5.497 1.00 0.00 H new ATOM 751 N GLY A 55 -8.852 0.781 3.926 1.00 0.00 N ATOM 752 CA GLY A 55 -7.600 0.113 4.211 1.00 0.00 C ATOM 753 C GLY A 55 -7.853 -1.231 4.854 1.00 0.00 C ATOM 754 O GLY A 55 -7.311 -1.535 5.916 1.00 0.00 O ATOM 0 H GLY A 55 -8.971 1.081 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.033 -0.019 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.993 0.731 4.873 1.00 0.00 H new ATOM 758 N THR A 56 -8.713 -2.022 4.220 1.00 0.00 N ATOM 759 CA THR A 56 -9.075 -3.333 4.755 1.00 0.00 C ATOM 760 C THR A 56 -8.073 -4.417 4.368 1.00 0.00 C ATOM 761 O THR A 56 -8.077 -4.903 3.238 1.00 0.00 O ATOM 762 CB THR A 56 -10.475 -3.761 4.279 1.00 0.00 C ATOM 763 OG1 THR A 56 -11.329 -2.615 4.173 1.00 0.00 O ATOM 764 CG2 THR A 56 -11.089 -4.769 5.240 1.00 0.00 C ATOM 0 H THR A 56 -9.170 -1.782 3.341 1.00 0.00 H new ATOM 0 HA THR A 56 -9.069 -3.226 5.840 1.00 0.00 H new ATOM 0 HB THR A 56 -10.374 -4.230 3.300 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.217 -2.896 3.868 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.078 -5.057 4.883 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.453 -5.652 5.297 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.177 -4.321 6.230 1.00 0.00 H new ATOM 772 N CYS A 57 -7.228 -4.805 5.323 1.00 0.00 N ATOM 773 CA CYS A 57 -6.231 -5.847 5.095 1.00 0.00 C ATOM 774 C CYS A 57 -6.836 -7.226 5.328 1.00 0.00 C ATOM 775 O CYS A 57 -7.312 -7.521 6.425 1.00 0.00 O ATOM 776 CB CYS A 57 -5.029 -5.655 6.024 1.00 0.00 C ATOM 777 SG CYS A 57 -3.734 -4.565 5.355 1.00 0.00 S ATOM 0 H CYS A 57 -7.215 -4.411 6.264 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.898 -5.772 4.060 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.379 -5.246 6.972 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.592 -6.630 6.240 1.00 0.00 H new ATOM 782 N GLU A 58 -6.823 -8.070 4.300 1.00 0.00 N ATOM 783 CA GLU A 58 -7.383 -9.413 4.424 1.00 0.00 C ATOM 784 C GLU A 58 -6.562 -10.447 3.664 1.00 0.00 C ATOM 785 O GLU A 58 -5.850 -10.120 2.714 1.00 0.00 O ATOM 786 CB GLU A 58 -8.831 -9.437 3.929 1.00 0.00 C ATOM 787 CG GLU A 58 -9.749 -8.485 4.679 1.00 0.00 C ATOM 788 CD GLU A 58 -11.205 -8.904 4.610 1.00 0.00 C ATOM 789 OE1 GLU A 58 -11.471 -10.123 4.568 1.00 0.00 O ATOM 790 OE2 GLU A 58 -12.078 -8.011 4.599 1.00 0.00 O ATOM 0 H GLU A 58 -6.436 -7.852 3.382 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.355 -9.676 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.848 -9.184 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.220 -10.451 4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.439 -8.433 5.723 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.643 -7.482 4.265 1.00 0.00 H new ATOM 797 N GLN A 59 -6.674 -11.701 4.098 1.00 0.00 N ATOM 798 CA GLN A 59 -5.953 -12.806 3.477 1.00 0.00 C ATOM 799 C GLN A 59 -6.224 -12.867 1.980 1.00 0.00 C ATOM 800 O GLN A 59 -7.335 -13.180 1.554 1.00 0.00 O ATOM 801 CB GLN A 59 -6.351 -14.130 4.129 1.00 0.00 C ATOM 802 CG GLN A 59 -5.581 -14.440 5.402 1.00 0.00 C ATOM 803 CD GLN A 59 -4.792 -15.731 5.305 1.00 0.00 C ATOM 804 OE1 GLN A 59 -3.881 -15.856 4.487 1.00 0.00 O ATOM 805 NE2 GLN A 59 -5.141 -16.702 6.142 1.00 0.00 N ATOM 0 H GLN A 59 -7.263 -11.977 4.884 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.887 -12.636 3.627 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.417 -14.107 4.356 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.195 -14.938 3.414 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.900 -13.617 5.620 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.278 -14.506 6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.903 -16.555 6.804 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.647 -17.594 6.122 1.00 0.00 H new ATOM 814 N LYS A 60 -5.191 -12.573 1.195 1.00 0.00 N ATOM 815 CA LYS A 60 -5.279 -12.590 -0.264 1.00 0.00 C ATOM 816 C LYS A 60 -6.241 -11.521 -0.785 1.00 0.00 C ATOM 817 O LYS A 60 -5.812 -10.514 -1.348 1.00 0.00 O ATOM 818 CB LYS A 60 -5.709 -13.973 -0.760 1.00 0.00 C ATOM 819 CG LYS A 60 -4.642 -15.040 -0.576 1.00 0.00 C ATOM 820 CD LYS A 60 -5.235 -16.439 -0.649 1.00 0.00 C ATOM 821 CE LYS A 60 -4.396 -17.355 -1.525 1.00 0.00 C ATOM 822 NZ LYS A 60 -4.551 -18.786 -1.141 1.00 0.00 N ATOM 0 H LYS A 60 -4.270 -12.316 1.551 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.286 -12.365 -0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.611 -14.277 -0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.968 -13.907 -1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.877 -14.927 -1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.150 -14.902 0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.306 -16.858 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.249 -16.385 -1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.686 -17.226 -2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.347 -17.070 -1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.963 -19.378 -1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.251 -18.915 -0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.548 -19.066 -1.239 1.00 0.00 H new ATOM 836 N LEU A 61 -7.540 -11.752 -0.602 1.00 0.00 N ATOM 837 CA LEU A 61 -8.566 -10.816 -1.059 1.00 0.00 C ATOM 838 C LEU A 61 -8.361 -9.424 -0.461 1.00 0.00 C ATOM 839 O LEU A 61 -7.369 -9.169 0.223 1.00 0.00 O ATOM 840 CB LEU A 61 -9.955 -11.339 -0.689 1.00 0.00 C ATOM 841 CG LEU A 61 -10.666 -12.127 -1.791 1.00 0.00 C ATOM 842 CD1 LEU A 61 -10.027 -13.496 -1.964 1.00 0.00 C ATOM 843 CD2 LEU A 61 -12.147 -12.265 -1.474 1.00 0.00 C ATOM 0 H LEU A 61 -7.908 -12.583 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.483 -10.734 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.864 -11.976 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.582 -10.493 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.564 -11.580 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.545 -14.043 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.978 -13.376 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.099 -14.052 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.638 -12.828 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -12.269 -12.791 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.597 -11.275 -1.400 1.00 0.00 H new ATOM 855 N ALA A 62 -9.311 -8.528 -0.732 1.00 0.00 N ATOM 856 CA ALA A 62 -9.250 -7.158 -0.233 1.00 0.00 C ATOM 857 C ALA A 62 -8.116 -6.385 -0.897 1.00 0.00 C ATOM 858 O ALA A 62 -7.306 -5.746 -0.226 1.00 0.00 O ATOM 859 CB ALA A 62 -9.097 -7.142 1.283 1.00 0.00 C ATOM 0 H ALA A 62 -10.135 -8.730 -1.298 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.188 -6.665 -0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.054 -6.111 1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.949 -7.645 1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.179 -7.659 1.561 1.00 0.00 H new ATOM 865 N ALA A 63 -8.069 -6.444 -2.225 1.00 0.00 N ATOM 866 CA ALA A 63 -7.040 -5.748 -2.988 1.00 0.00 C ATOM 867 C ALA A 63 -7.522 -4.371 -3.428 1.00 0.00 C ATOM 868 O ALA A 63 -6.756 -3.408 -3.439 1.00 0.00 O ATOM 869 CB ALA A 63 -6.630 -6.576 -4.196 1.00 0.00 C ATOM 0 H ALA A 63 -8.733 -6.968 -2.795 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.172 -5.612 -2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.861 -6.045 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.237 -7.537 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.497 -6.741 -4.835 1.00 0.00 H new ATOM 875 N ALA A 64 -8.799 -4.286 -3.791 1.00 0.00 N ATOM 876 CA ALA A 64 -9.387 -3.027 -4.233 1.00 0.00 C ATOM 877 C ALA A 64 -10.911 -3.106 -4.241 1.00 0.00 C ATOM 878 O ALA A 64 -11.529 -3.253 -5.296 1.00 0.00 O ATOM 879 CB ALA A 64 -8.866 -2.658 -5.614 1.00 0.00 C ATOM 0 H ALA A 64 -9.446 -5.075 -3.787 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.094 -2.249 -3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.313 -1.716 -5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.782 -2.551 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.129 -3.442 -6.324 1.00 0.00 H new ATOM 885 N LEU A 65 -11.507 -3.006 -3.052 1.00 0.00 N ATOM 886 CA LEU A 65 -12.960 -3.064 -2.901 1.00 0.00 C ATOM 887 C LEU A 65 -13.498 -4.448 -3.256 1.00 0.00 C ATOM 888 O LEU A 65 -12.954 -5.136 -4.119 1.00 0.00 O ATOM 889 CB LEU A 65 -13.635 -1.998 -3.767 1.00 0.00 C ATOM 890 CG LEU A 65 -14.108 -0.755 -3.011 1.00 0.00 C ATOM 891 CD1 LEU A 65 -13.776 0.505 -3.793 1.00 0.00 C ATOM 892 CD2 LEU A 65 -15.603 -0.834 -2.736 1.00 0.00 C ATOM 0 H LEU A 65 -11.001 -2.884 -2.175 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.193 -2.866 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.937 -1.688 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -14.492 -2.448 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.584 -0.714 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.120 1.378 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.698 0.569 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -14.272 0.472 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -15.922 0.059 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -16.144 -0.901 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -15.816 -1.717 -2.133 1.00 0.00 H new ATOM 904 N GLU A 66 -14.570 -4.851 -2.579 1.00 0.00 N ATOM 905 CA GLU A 66 -15.184 -6.154 -2.818 1.00 0.00 C ATOM 906 C GLU A 66 -16.678 -6.012 -3.088 1.00 0.00 C ATOM 907 O GLU A 66 -17.182 -4.904 -3.276 1.00 0.00 O ATOM 908 CB GLU A 66 -14.956 -7.074 -1.616 1.00 0.00 C ATOM 909 CG GLU A 66 -14.436 -8.451 -1.993 1.00 0.00 C ATOM 910 CD GLU A 66 -15.387 -9.562 -1.593 1.00 0.00 C ATOM 911 OE1 GLU A 66 -15.494 -9.845 -0.382 1.00 0.00 O ATOM 912 OE2 GLU A 66 -16.026 -10.148 -2.492 1.00 0.00 O ATOM 0 H GLU A 66 -15.032 -4.294 -1.860 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.716 -6.593 -3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.247 -6.601 -0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.894 -7.186 -1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.269 -8.490 -3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.470 -8.614 -1.515 1.00 0.00 H new ATOM 919 N HIS A 67 -17.384 -7.140 -3.104 1.00 0.00 N ATOM 920 CA HIS A 67 -18.821 -7.140 -3.350 1.00 0.00 C ATOM 921 C HIS A 67 -19.548 -8.041 -2.356 1.00 0.00 C ATOM 922 O HIS A 67 -20.726 -8.353 -2.532 1.00 0.00 O ATOM 923 CB HIS A 67 -19.118 -7.599 -4.780 1.00 0.00 C ATOM 924 CG HIS A 67 -20.162 -6.774 -5.466 1.00 0.00 C ATOM 925 ND1 HIS A 67 -19.981 -5.447 -5.792 1.00 0.00 N ATOM 926 CD2 HIS A 67 -21.409 -7.096 -5.889 1.00 0.00 C ATOM 927 CE1 HIS A 67 -21.069 -4.987 -6.384 1.00 0.00 C ATOM 928 NE2 HIS A 67 -21.949 -5.969 -6.456 1.00 0.00 N ATOM 0 H HIS A 67 -16.983 -8.065 -2.949 1.00 0.00 H new ATOM 0 HA HIS A 67 -19.182 -6.120 -3.219 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -18.198 -7.564 -5.363 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -19.443 -8.639 -4.759 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -21.888 -8.060 -5.797 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -21.214 -3.980 -6.747 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -22.880 -5.901 -6.867 1.00 0.00 H new ATOM 937 N HIS A 68 -18.839 -8.457 -1.311 1.00 0.00 N ATOM 938 CA HIS A 68 -19.418 -9.322 -0.289 1.00 0.00 C ATOM 939 C HIS A 68 -19.500 -8.598 1.054 1.00 0.00 C ATOM 940 O HIS A 68 -19.746 -7.392 1.099 1.00 0.00 O ATOM 941 CB HIS A 68 -18.593 -10.605 -0.155 1.00 0.00 C ATOM 942 CG HIS A 68 -19.385 -11.856 -0.389 1.00 0.00 C ATOM 943 ND1 HIS A 68 -18.836 -13.006 -0.916 1.00 0.00 N ATOM 944 CD2 HIS A 68 -20.692 -12.133 -0.164 1.00 0.00 C ATOM 945 CE1 HIS A 68 -19.771 -13.936 -1.007 1.00 0.00 C ATOM 946 NE2 HIS A 68 -20.905 -13.432 -0.556 1.00 0.00 N ATOM 0 H HIS A 68 -17.863 -8.209 -1.150 1.00 0.00 H new ATOM 0 HA HIS A 68 -20.431 -9.585 -0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -17.766 -10.571 -0.864 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -18.156 -10.643 0.843 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -21.429 -11.458 0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -19.631 -14.938 -1.386 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -21.795 -13.927 -0.507 1.00 0.00 H new ATOM 955 N HIS A 69 -19.299 -9.341 2.144 1.00 0.00 N ATOM 956 CA HIS A 69 -19.353 -8.772 3.488 1.00 0.00 C ATOM 957 C HIS A 69 -20.744 -8.230 3.799 1.00 0.00 C ATOM 958 O HIS A 69 -21.688 -8.439 3.036 1.00 0.00 O ATOM 959 CB HIS A 69 -18.310 -7.662 3.645 1.00 0.00 C ATOM 960 CG HIS A 69 -16.928 -8.173 3.905 1.00 0.00 C ATOM 961 ND1 HIS A 69 -16.028 -8.456 2.898 1.00 0.00 N ATOM 962 CD2 HIS A 69 -16.290 -8.454 5.067 1.00 0.00 C ATOM 963 CE1 HIS A 69 -14.899 -8.888 3.429 1.00 0.00 C ATOM 964 NE2 HIS A 69 -15.032 -8.897 4.742 1.00 0.00 N ATOM 0 H HIS A 69 -19.097 -10.340 2.120 1.00 0.00 H new ATOM 0 HA HIS A 69 -19.129 -9.569 4.197 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -18.300 -7.054 2.741 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -18.607 -7.009 4.465 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -16.695 -8.349 6.063 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -14.016 -9.184 2.882 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -14.316 -9.186 5.408 1.00 0.00 H new ATOM 973 N HIS A 70 -20.866 -7.537 4.927 1.00 0.00 N ATOM 974 CA HIS A 70 -22.145 -6.970 5.343 1.00 0.00 C ATOM 975 C HIS A 70 -22.213 -5.478 5.031 1.00 0.00 C ATOM 976 O HIS A 70 -23.255 -4.845 5.209 1.00 0.00 O ATOM 977 CB HIS A 70 -22.371 -7.201 6.841 1.00 0.00 C ATOM 978 CG HIS A 70 -21.115 -7.152 7.657 1.00 0.00 C ATOM 979 ND1 HIS A 70 -20.044 -6.343 7.343 1.00 0.00 N ATOM 980 CD2 HIS A 70 -20.763 -7.820 8.781 1.00 0.00 C ATOM 981 CE1 HIS A 70 -19.087 -6.516 8.237 1.00 0.00 C ATOM 982 NE2 HIS A 70 -19.499 -7.406 9.120 1.00 0.00 N ATOM 0 H HIS A 70 -20.095 -7.354 5.569 1.00 0.00 H new ATOM 0 HA HIS A 70 -22.932 -7.474 4.782 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -23.065 -6.448 7.214 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -22.847 -8.171 6.982 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -21.364 -8.543 9.312 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -18.130 -6.015 8.244 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -18.964 -7.733 9.925 1.00 0.00 H new ATOM 991 N HIS A 71 -21.101 -4.920 4.565 1.00 0.00 N ATOM 992 CA HIS A 71 -21.042 -3.501 4.229 1.00 0.00 C ATOM 993 C HIS A 71 -20.840 -3.303 2.730 1.00 0.00 C ATOM 994 O HIS A 71 -20.624 -4.263 1.991 1.00 0.00 O ATOM 995 CB HIS A 71 -19.917 -2.812 5.005 1.00 0.00 C ATOM 996 CG HIS A 71 -18.588 -3.491 4.874 1.00 0.00 C ATOM 997 ND1 HIS A 71 -18.091 -3.948 3.671 1.00 0.00 N ATOM 998 CD2 HIS A 71 -17.649 -3.787 5.804 1.00 0.00 C ATOM 999 CE1 HIS A 71 -16.904 -4.495 3.868 1.00 0.00 C ATOM 1000 NE2 HIS A 71 -16.614 -4.410 5.153 1.00 0.00 N ATOM 0 H HIS A 71 -20.229 -5.427 4.411 1.00 0.00 H new ATOM 0 HA HIS A 71 -21.993 -3.050 4.511 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -19.825 -1.783 4.656 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -20.190 -2.768 6.059 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -17.704 -3.573 6.861 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -16.278 -4.937 3.107 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -15.759 -4.752 5.591 1.00 0.00 H new ATOM 1009 N HIS A 72 -20.911 -2.050 2.290 1.00 0.00 N ATOM 1010 CA HIS A 72 -20.736 -1.723 0.879 1.00 0.00 C ATOM 1011 C HIS A 72 -19.323 -2.059 0.413 1.00 0.00 C ATOM 1012 O HIS A 72 -18.387 -1.943 1.233 1.00 0.00 O ATOM 1013 CB HIS A 72 -21.025 -0.241 0.637 1.00 0.00 C ATOM 1014 CG HIS A 72 -20.312 0.673 1.584 1.00 0.00 C ATOM 1015 ND1 HIS A 72 -18.992 1.040 1.427 1.00 0.00 N ATOM 1016 CD2 HIS A 72 -20.742 1.296 2.708 1.00 0.00 C ATOM 1017 CE1 HIS A 72 -18.641 1.849 2.412 1.00 0.00 C ATOM 1018 NE2 HIS A 72 -19.685 2.019 3.202 1.00 0.00 N ATOM 1019 OXT HIS A 72 -19.164 -2.436 -0.767 1.00 0.00 O ATOM 0 H HIS A 72 -21.088 -1.245 2.890 1.00 0.00 H new ATOM 0 HA HIS A 72 -21.442 -2.323 0.304 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -20.740 0.014 -0.384 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -22.098 -0.071 0.720 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -21.732 1.235 3.135 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -17.667 2.295 2.547 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -19.703 2.595 4.044 1.00 0.00 H new TER 1028 HIS A 72