USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 272 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 27 HIS HE2 : A 27 HIS NE2 : A 37 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0127 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -49:sc= 0.506 USER MOD Single : A 20 SER OG : rot 46:sc= 0.357 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -150:sc= -1.98 USER MOD Single : A 28 GLN : amide:sc= -0.425 X(o=-0.43,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.984 11.485 2.194 1.00 1.00 N ATOM 2 CA GLY A 1 -8.804 12.288 0.955 1.00 1.00 C ATOM 3 C GLY A 1 -7.626 13.238 1.045 1.00 1.00 C ATOM 4 O GLY A 1 -7.315 13.751 2.121 1.00 1.00 O ATOM 0 H1 GLY A 1 -8.706 10.499 2.012 1.00 1.00 H new ATOM 0 H2 GLY A 1 -8.390 11.878 2.952 1.00 1.00 H new ATOM 0 H3 GLY A 1 -9.982 11.515 2.486 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -8.661 11.617 0.108 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -9.712 12.858 0.760 1.00 1.00 H new ATOM 10 N SER A 2 -6.968 13.472 -0.087 1.00 1.00 N ATOM 11 CA SER A 2 -5.816 14.365 -0.137 1.00 1.00 C ATOM 12 C SER A 2 -4.672 13.834 0.722 1.00 1.00 C ATOM 13 O SER A 2 -3.722 13.240 0.209 1.00 1.00 O ATOM 14 CB SER A 2 -6.210 15.771 0.322 1.00 1.00 C ATOM 15 OG SER A 2 -7.084 16.385 -0.609 1.00 1.00 O ATOM 0 H SER A 2 -7.214 13.054 -0.984 1.00 1.00 H new ATOM 0 HA SER A 2 -5.473 14.413 -1.171 1.00 1.00 H new ATOM 0 HB2 SER A 2 -6.693 15.716 1.298 1.00 1.00 H new ATOM 0 HB3 SER A 2 -5.315 16.382 0.443 1.00 1.00 H new ATOM 0 HG SER A 2 -7.322 17.281 -0.292 1.00 1.00 H new ATOM 21 N LEU A 3 -4.766 14.049 2.031 1.00 1.00 N ATOM 22 CA LEU A 3 -3.738 13.591 2.957 1.00 1.00 C ATOM 23 C LEU A 3 -4.365 12.944 4.188 1.00 1.00 C ATOM 24 O LEU A 3 -5.586 12.822 4.284 1.00 1.00 O ATOM 25 CB LEU A 3 -2.845 14.760 3.379 1.00 1.00 C ATOM 26 CG LEU A 3 -3.592 16.004 3.864 1.00 1.00 C ATOM 27 CD1 LEU A 3 -2.808 16.702 4.965 1.00 1.00 C ATOM 28 CD2 LEU A 3 -3.848 16.955 2.705 1.00 1.00 C ATOM 0 H LEU A 3 -5.544 14.538 2.473 1.00 1.00 H new ATOM 0 HA LEU A 3 -3.130 12.844 2.446 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -2.181 14.421 4.174 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -2.215 15.039 2.534 1.00 1.00 H new ATOM 0 HG LEU A 3 -4.553 15.692 4.273 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -3.355 17.584 5.297 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -2.674 16.020 5.805 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -1.832 17.002 4.583 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -4.380 17.835 3.067 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -2.897 17.260 2.268 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -4.450 16.452 1.948 1.00 1.00 H new ATOM 40 N LEU A 4 -3.521 12.531 5.129 1.00 1.00 N ATOM 41 CA LEU A 4 -3.989 11.896 6.357 1.00 1.00 C ATOM 42 C LEU A 4 -4.595 10.526 6.066 1.00 1.00 C ATOM 43 O LEU A 4 -4.005 9.495 6.387 1.00 1.00 O ATOM 44 CB LEU A 4 -5.016 12.788 7.063 1.00 1.00 C ATOM 45 CG LEU A 4 -4.750 13.025 8.551 1.00 1.00 C ATOM 46 CD1 LEU A 4 -4.893 11.729 9.332 1.00 1.00 C ATOM 47 CD2 LEU A 4 -3.367 13.625 8.755 1.00 1.00 C ATOM 0 H LEU A 4 -2.507 12.625 5.064 1.00 1.00 H new ATOM 0 HA LEU A 4 -3.130 11.759 7.014 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -5.047 13.753 6.556 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -6.003 12.338 6.953 1.00 1.00 H new ATOM 0 HG LEU A 4 -5.490 13.733 8.925 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -4.700 11.917 10.388 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -5.905 11.341 9.211 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -4.177 10.998 8.957 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -3.194 13.787 9.819 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -2.613 12.942 8.365 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -3.302 14.577 8.228 1.00 1.00 H new ATOM 59 N LYS A 5 -5.778 10.523 5.459 1.00 1.00 N ATOM 60 CA LYS A 5 -6.461 9.277 5.127 1.00 1.00 C ATOM 61 C LYS A 5 -6.155 8.852 3.691 1.00 1.00 C ATOM 62 O LYS A 5 -6.102 9.688 2.789 1.00 1.00 O ATOM 63 CB LYS A 5 -7.971 9.436 5.313 1.00 1.00 C ATOM 64 CG LYS A 5 -8.396 9.561 6.768 1.00 1.00 C ATOM 65 CD LYS A 5 -9.895 9.364 6.930 1.00 1.00 C ATOM 66 CE LYS A 5 -10.227 7.946 7.364 1.00 1.00 C ATOM 67 NZ LYS A 5 -11.599 7.544 6.947 1.00 1.00 N ATOM 0 H LYS A 5 -6.282 11.367 5.188 1.00 1.00 H new ATOM 0 HA LYS A 5 -6.097 8.501 5.801 1.00 1.00 H new ATOM 0 HB2 LYS A 5 -8.305 10.320 4.769 1.00 1.00 H new ATOM 0 HB3 LYS A 5 -8.476 8.578 4.868 1.00 1.00 H new ATOM 0 HG2 LYS A 5 -7.864 8.823 7.368 1.00 1.00 H new ATOM 0 HG3 LYS A 5 -8.114 10.543 7.147 1.00 1.00 H new ATOM 0 HD2 LYS A 5 -10.278 10.070 7.667 1.00 1.00 H new ATOM 0 HD3 LYS A 5 -10.396 9.584 5.987 1.00 1.00 H new ATOM 0 HE2 LYS A 5 -9.500 7.256 6.935 1.00 1.00 H new ATOM 0 HE3 LYS A 5 -10.140 7.868 8.448 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 -11.786 6.571 7.262 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 -12.295 8.187 7.376 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 -11.675 7.593 5.911 1.00 1.00 H new ATOM 81 N PRO A 6 -5.951 7.543 3.458 1.00 1.00 N ATOM 82 CA PRO A 6 -5.650 7.018 2.121 1.00 1.00 C ATOM 83 C PRO A 6 -6.707 7.414 1.094 1.00 1.00 C ATOM 84 O PRO A 6 -7.551 8.270 1.356 1.00 1.00 O ATOM 85 CB PRO A 6 -5.645 5.500 2.321 1.00 1.00 C ATOM 86 CG PRO A 6 -5.362 5.305 3.769 1.00 1.00 C ATOM 87 CD PRO A 6 -5.994 6.474 4.473 1.00 1.00 C ATOM 0 HA PRO A 6 -4.710 7.411 1.734 1.00 1.00 H new ATOM 0 HB2 PRO A 6 -6.604 5.062 2.043 1.00 1.00 H new ATOM 0 HB3 PRO A 6 -4.885 5.023 1.702 1.00 1.00 H new ATOM 0 HG2 PRO A 6 -5.779 4.363 4.125 1.00 1.00 H new ATOM 0 HG3 PRO A 6 -4.289 5.270 3.956 1.00 1.00 H new ATOM 0 HD2 PRO A 6 -7.016 6.253 4.782 1.00 1.00 H new ATOM 0 HD3 PRO A 6 -5.442 6.749 5.371 1.00 1.00 H new ATOM 95 N ALA A 7 -6.653 6.784 -0.075 1.00 1.00 N ATOM 96 CA ALA A 7 -7.606 7.069 -1.141 1.00 1.00 C ATOM 97 C ALA A 7 -7.607 5.962 -2.188 1.00 1.00 C ATOM 98 O ALA A 7 -8.565 5.195 -2.295 1.00 1.00 O ATOM 99 CB ALA A 7 -7.288 8.409 -1.788 1.00 1.00 C ATOM 0 H ALA A 7 -5.960 6.073 -0.308 1.00 1.00 H new ATOM 0 HA ALA A 7 -8.602 7.117 -0.701 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -8.007 8.609 -2.582 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -7.346 9.198 -1.038 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -6.282 8.381 -2.208 1.00 1.00 H new ATOM 105 N ARG A 8 -6.528 5.883 -2.960 1.00 1.00 N ATOM 106 CA ARG A 8 -6.406 4.868 -4.001 1.00 1.00 C ATOM 107 C ARG A 8 -5.497 3.729 -3.550 1.00 1.00 C ATOM 108 O ARG A 8 -4.941 3.762 -2.452 1.00 1.00 O ATOM 109 CB ARG A 8 -5.861 5.491 -5.288 1.00 1.00 C ATOM 110 CG ARG A 8 -4.541 6.221 -5.100 1.00 1.00 C ATOM 111 CD ARG A 8 -3.538 5.850 -6.182 1.00 1.00 C ATOM 112 NE ARG A 8 -4.064 6.095 -7.523 1.00 1.00 N ATOM 113 CZ ARG A 8 -3.350 5.952 -8.637 1.00 1.00 C ATOM 114 NH1 ARG A 8 -2.082 5.565 -8.575 1.00 1.00 N ATOM 115 NH2 ARG A 8 -3.906 6.195 -9.815 1.00 1.00 N ATOM 0 H ARG A 8 -5.726 6.509 -2.885 1.00 1.00 H new ATOM 0 HA ARG A 8 -7.399 4.461 -4.193 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -5.730 4.707 -6.034 1.00 1.00 H new ATOM 0 HB3 ARG A 8 -6.599 6.188 -5.685 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -4.714 7.297 -5.117 1.00 1.00 H new ATOM 0 HG3 ARG A 8 -4.127 5.980 -4.121 1.00 1.00 H new ATOM 0 HD2 ARG A 8 -2.623 6.425 -6.041 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -3.271 4.798 -6.084 1.00 1.00 H new ATOM 0 HE ARG A 8 -5.036 6.393 -7.610 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -1.650 5.376 -7.671 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -1.539 5.457 -9.432 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -4.881 6.491 -9.868 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -3.359 6.086 -10.669 1.00 1.00 H new ATOM 129 N PHE A 9 -5.354 2.723 -4.405 1.00 1.00 N ATOM 130 CA PHE A 9 -4.515 1.568 -4.099 1.00 1.00 C ATOM 131 C PHE A 9 -3.366 1.455 -5.102 1.00 1.00 C ATOM 132 O PHE A 9 -3.009 2.434 -5.757 1.00 1.00 O ATOM 133 CB PHE A 9 -5.350 0.278 -4.103 1.00 1.00 C ATOM 134 CG PHE A 9 -6.837 0.506 -4.101 1.00 1.00 C ATOM 135 CD1 PHE A 9 -7.507 0.780 -2.920 1.00 1.00 C ATOM 136 CD2 PHE A 9 -7.562 0.443 -5.280 1.00 1.00 C ATOM 137 CE1 PHE A 9 -8.873 0.989 -2.914 1.00 1.00 C ATOM 138 CE2 PHE A 9 -8.928 0.652 -5.282 1.00 1.00 C ATOM 139 CZ PHE A 9 -9.585 0.925 -4.097 1.00 1.00 C ATOM 0 H PHE A 9 -5.809 2.683 -5.317 1.00 1.00 H new ATOM 0 HA PHE A 9 -4.094 1.708 -3.103 1.00 1.00 H new ATOM 0 HB2 PHE A 9 -5.085 -0.310 -4.982 1.00 1.00 H new ATOM 0 HB3 PHE A 9 -5.084 -0.317 -3.229 1.00 1.00 H new ATOM 0 HD1 PHE A 9 -6.955 0.831 -1.993 1.00 1.00 H new ATOM 0 HD2 PHE A 9 -7.054 0.228 -6.208 1.00 1.00 H new ATOM 0 HE1 PHE A 9 -9.383 1.202 -1.986 1.00 1.00 H new ATOM 0 HE2 PHE A 9 -9.481 0.602 -6.208 1.00 1.00 H new ATOM 0 HZ PHE A 9 -10.653 1.088 -4.095 1.00 1.00 H new ATOM 149 N MET A 10 -2.791 0.256 -5.219 1.00 1.00 N ATOM 150 CA MET A 10 -1.684 0.011 -6.143 1.00 1.00 C ATOM 151 C MET A 10 -0.382 0.606 -5.617 1.00 1.00 C ATOM 152 O MET A 10 -0.340 1.759 -5.188 1.00 1.00 O ATOM 153 CB MET A 10 -1.996 0.583 -7.530 1.00 1.00 C ATOM 154 CG MET A 10 -1.003 0.156 -8.601 1.00 1.00 C ATOM 155 SD MET A 10 0.042 1.514 -9.163 1.00 1.00 S ATOM 156 CE MET A 10 0.364 1.017 -10.854 1.00 1.00 C ATOM 0 H MET A 10 -3.076 -0.563 -4.682 1.00 1.00 H new ATOM 0 HA MET A 10 -1.560 -1.069 -6.226 1.00 1.00 H new ATOM 0 HB2 MET A 10 -2.996 0.268 -7.827 1.00 1.00 H new ATOM 0 HB3 MET A 10 -2.009 1.671 -7.471 1.00 1.00 H new ATOM 0 HG2 MET A 10 -0.374 -0.643 -8.209 1.00 1.00 H new ATOM 0 HG3 MET A 10 -1.547 -0.255 -9.452 1.00 1.00 H new ATOM 0 HE1 MET A 10 1.000 1.759 -11.336 1.00 1.00 H new ATOM 0 HE2 MET A 10 0.866 0.050 -10.860 1.00 1.00 H new ATOM 0 HE3 MET A 10 -0.578 0.939 -11.396 1.00 1.00 H new ATOM 166 N CYS A 11 0.682 -0.192 -5.660 1.00 1.00 N ATOM 167 CA CYS A 11 1.993 0.248 -5.198 1.00 1.00 C ATOM 168 C CYS A 11 2.821 0.780 -6.363 1.00 1.00 C ATOM 169 O CYS A 11 3.541 0.029 -7.020 1.00 1.00 O ATOM 170 CB CYS A 11 2.732 -0.907 -4.514 1.00 1.00 C ATOM 171 SG CYS A 11 3.954 -0.377 -3.270 1.00 1.00 S ATOM 0 H CYS A 11 0.660 -1.149 -6.011 1.00 1.00 H new ATOM 0 HA CYS A 11 1.850 1.052 -4.476 1.00 1.00 H new ATOM 0 HB2 CYS A 11 2.001 -1.558 -4.035 1.00 1.00 H new ATOM 0 HB3 CYS A 11 3.238 -1.501 -5.275 1.00 1.00 H new ATOM 176 N LEU A 12 2.706 2.081 -6.617 1.00 1.00 N ATOM 177 CA LEU A 12 3.439 2.718 -7.711 1.00 1.00 C ATOM 178 C LEU A 12 4.927 2.369 -7.666 1.00 1.00 C ATOM 179 O LEU A 12 5.507 1.975 -8.678 1.00 1.00 O ATOM 180 CB LEU A 12 3.260 4.239 -7.674 1.00 1.00 C ATOM 181 CG LEU A 12 1.885 4.727 -7.209 1.00 1.00 C ATOM 182 CD1 LEU A 12 1.928 5.120 -5.739 1.00 1.00 C ATOM 183 CD2 LEU A 12 1.417 5.896 -8.063 1.00 1.00 C ATOM 0 H LEU A 12 2.113 2.715 -6.082 1.00 1.00 H new ATOM 0 HA LEU A 12 3.025 2.335 -8.644 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.019 4.661 -7.015 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.449 4.635 -8.672 1.00 1.00 H new ATOM 0 HG LEU A 12 1.172 3.911 -7.325 1.00 1.00 H new ATOM 0 HD11 LEU A 12 0.943 5.464 -5.425 1.00 1.00 H new ATOM 0 HD12 LEU A 12 2.218 4.257 -5.140 1.00 1.00 H new ATOM 0 HD13 LEU A 12 2.654 5.921 -5.598 1.00 1.00 H new ATOM 0 HD21 LEU A 12 0.438 6.230 -7.718 1.00 1.00 H new ATOM 0 HD22 LEU A 12 2.130 6.716 -7.979 1.00 1.00 H new ATOM 0 HD23 LEU A 12 1.347 5.581 -9.104 1.00 1.00 H new ATOM 195 N PRO A 13 5.572 2.508 -6.492 1.00 1.00 N ATOM 196 CA PRO A 13 6.994 2.204 -6.338 1.00 1.00 C ATOM 197 C PRO A 13 7.252 0.715 -6.120 1.00 1.00 C ATOM 198 O PRO A 13 7.934 0.325 -5.173 1.00 1.00 O ATOM 199 CB PRO A 13 7.372 2.999 -5.092 1.00 1.00 C ATOM 200 CG PRO A 13 6.134 3.005 -4.262 1.00 1.00 C ATOM 201 CD PRO A 13 4.971 2.971 -5.225 1.00 1.00 C ATOM 0 HA PRO A 13 7.572 2.460 -7.226 1.00 1.00 H new ATOM 0 HB2 PRO A 13 8.203 2.534 -4.562 1.00 1.00 H new ATOM 0 HB3 PRO A 13 7.684 4.012 -5.347 1.00 1.00 H new ATOM 0 HG2 PRO A 13 6.110 2.143 -3.595 1.00 1.00 H new ATOM 0 HG3 PRO A 13 6.092 3.895 -3.635 1.00 1.00 H new ATOM 0 HD2 PRO A 13 4.189 2.293 -4.883 1.00 1.00 H new ATOM 0 HD3 PRO A 13 4.515 3.955 -5.335 1.00 1.00 H new ATOM 209 N CYS A 14 6.698 -0.113 -7.001 1.00 1.00 N ATOM 210 CA CYS A 14 6.866 -1.555 -6.899 1.00 1.00 C ATOM 211 C CYS A 14 6.641 -2.225 -8.250 1.00 1.00 C ATOM 212 O CYS A 14 7.428 -3.071 -8.675 1.00 1.00 O ATOM 213 CB CYS A 14 5.893 -2.119 -5.866 1.00 1.00 C ATOM 214 SG CYS A 14 6.691 -2.737 -4.351 1.00 1.00 S ATOM 0 H CYS A 14 6.130 0.192 -7.792 1.00 1.00 H new ATOM 0 HA CYS A 14 7.888 -1.762 -6.581 1.00 1.00 H new ATOM 0 HB2 CYS A 14 5.177 -1.343 -5.596 1.00 1.00 H new ATOM 0 HB3 CYS A 14 5.326 -2.931 -6.322 1.00 1.00 H new ATOM 219 N GLY A 15 5.560 -1.841 -8.919 1.00 1.00 N ATOM 220 CA GLY A 15 5.243 -2.405 -10.208 1.00 1.00 C ATOM 221 C GLY A 15 3.951 -3.200 -10.198 1.00 1.00 C ATOM 222 O GLY A 15 3.298 -3.347 -11.230 1.00 1.00 O ATOM 0 H GLY A 15 4.896 -1.143 -8.584 1.00 1.00 H new ATOM 0 HA2 GLY A 15 5.165 -1.603 -10.942 1.00 1.00 H new ATOM 0 HA3 GLY A 15 6.060 -3.052 -10.528 1.00 1.00 H new ATOM 226 N ILE A 16 3.582 -3.717 -9.029 1.00 1.00 N ATOM 227 CA ILE A 16 2.360 -4.501 -8.894 1.00 1.00 C ATOM 228 C ILE A 16 1.146 -3.599 -8.692 1.00 1.00 C ATOM 229 O ILE A 16 1.278 -2.453 -8.262 1.00 1.00 O ATOM 230 CB ILE A 16 2.451 -5.491 -7.715 1.00 1.00 C ATOM 231 CG1 ILE A 16 3.746 -6.302 -7.796 1.00 1.00 C ATOM 232 CG2 ILE A 16 1.241 -6.414 -7.705 1.00 1.00 C ATOM 233 CD1 ILE A 16 4.418 -6.503 -6.455 1.00 1.00 C ATOM 0 H ILE A 16 4.111 -3.607 -8.164 1.00 1.00 H new ATOM 0 HA ILE A 16 2.243 -5.062 -9.821 1.00 1.00 H new ATOM 0 HB ILE A 16 2.460 -4.923 -6.784 1.00 1.00 H new ATOM 0 HG12 ILE A 16 3.528 -7.276 -8.234 1.00 1.00 H new ATOM 0 HG13 ILE A 16 4.440 -5.798 -8.469 1.00 1.00 H new ATOM 0 HG21 ILE A 16 1.319 -7.107 -6.867 1.00 1.00 H new ATOM 0 HG22 ILE A 16 0.332 -5.821 -7.602 1.00 1.00 H new ATOM 0 HG23 ILE A 16 1.204 -6.976 -8.638 1.00 1.00 H new ATOM 0 HD11 ILE A 16 5.329 -7.086 -6.588 1.00 1.00 H new ATOM 0 HD12 ILE A 16 4.667 -5.533 -6.024 1.00 1.00 H new ATOM 0 HD13 ILE A 16 3.742 -7.035 -5.785 1.00 1.00 H new ATOM 245 N ALA A 17 -0.033 -4.125 -9.005 1.00 1.00 N ATOM 246 CA ALA A 17 -1.271 -3.367 -8.858 1.00 1.00 C ATOM 247 C ALA A 17 -2.325 -4.176 -8.110 1.00 1.00 C ATOM 248 O ALA A 17 -2.804 -5.197 -8.604 1.00 1.00 O ATOM 249 CB ALA A 17 -1.796 -2.946 -10.223 1.00 1.00 C ATOM 0 H ALA A 17 -0.158 -5.072 -9.362 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.054 -2.474 -8.272 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -2.720 -2.381 -10.099 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -1.054 -2.323 -10.722 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -1.991 -3.832 -10.827 1.00 1.00 H new ATOM 255 N PHE A 18 -2.678 -3.714 -6.916 1.00 1.00 N ATOM 256 CA PHE A 18 -3.664 -4.386 -6.094 1.00 1.00 C ATOM 257 C PHE A 18 -5.077 -3.953 -6.475 1.00 1.00 C ATOM 258 O PHE A 18 -5.283 -3.311 -7.505 1.00 1.00 O ATOM 259 CB PHE A 18 -3.389 -4.062 -4.628 1.00 1.00 C ATOM 260 CG PHE A 18 -2.319 -4.919 -4.015 1.00 1.00 C ATOM 261 CD1 PHE A 18 -2.632 -6.146 -3.452 1.00 1.00 C ATOM 262 CD2 PHE A 18 -0.999 -4.498 -4.005 1.00 1.00 C ATOM 263 CE1 PHE A 18 -1.646 -6.936 -2.890 1.00 1.00 C ATOM 264 CE2 PHE A 18 -0.011 -5.284 -3.445 1.00 1.00 C ATOM 265 CZ PHE A 18 -0.334 -6.504 -2.887 1.00 1.00 C ATOM 0 H PHE A 18 -2.289 -2.869 -6.497 1.00 1.00 H new ATOM 0 HA PHE A 18 -3.591 -5.462 -6.255 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -3.097 -3.015 -4.544 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -4.311 -4.183 -4.059 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.656 -6.489 -3.452 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -0.740 -3.544 -4.440 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -1.902 -7.890 -2.454 1.00 1.00 H new ATOM 0 HE2 PHE A 18 1.014 -4.944 -3.444 1.00 1.00 H new ATOM 0 HZ PHE A 18 0.437 -7.120 -2.449 1.00 1.00 H new ATOM 275 N SER A 19 -6.047 -4.304 -5.638 1.00 1.00 N ATOM 276 CA SER A 19 -7.438 -3.950 -5.886 1.00 1.00 C ATOM 277 C SER A 19 -8.219 -3.893 -4.578 1.00 1.00 C ATOM 278 O SER A 19 -9.428 -4.128 -4.553 1.00 1.00 O ATOM 279 CB SER A 19 -8.082 -4.961 -6.836 1.00 1.00 C ATOM 280 OG SER A 19 -9.354 -4.512 -7.272 1.00 1.00 O ATOM 0 H SER A 19 -5.894 -4.834 -4.780 1.00 1.00 H new ATOM 0 HA SER A 19 -7.463 -2.964 -6.349 1.00 1.00 H new ATOM 0 HB2 SER A 19 -7.434 -5.119 -7.698 1.00 1.00 H new ATOM 0 HB3 SER A 19 -8.185 -5.923 -6.333 1.00 1.00 H new ATOM 0 HG SER A 19 -9.881 -4.221 -6.499 1.00 1.00 H new ATOM 286 N SER A 20 -7.521 -3.574 -3.492 1.00 1.00 N ATOM 287 CA SER A 20 -8.144 -3.479 -2.179 1.00 1.00 C ATOM 288 C SER A 20 -7.226 -2.757 -1.196 1.00 1.00 C ATOM 289 O SER A 20 -6.012 -2.948 -1.220 1.00 1.00 O ATOM 290 CB SER A 20 -8.488 -4.873 -1.650 1.00 1.00 C ATOM 291 OG SER A 20 -9.857 -5.176 -1.857 1.00 1.00 O ATOM 0 H SER A 20 -6.520 -3.377 -3.497 1.00 1.00 H new ATOM 0 HA SER A 20 -9.064 -2.903 -2.280 1.00 1.00 H new ATOM 0 HB2 SER A 20 -7.868 -5.618 -2.150 1.00 1.00 H new ATOM 0 HB3 SER A 20 -8.257 -4.928 -0.586 1.00 1.00 H new ATOM 0 HG SER A 20 -10.112 -4.929 -2.770 1.00 1.00 H new ATOM 297 N PRO A 21 -7.795 -1.912 -0.316 1.00 1.00 N ATOM 298 CA PRO A 21 -7.014 -1.161 0.674 1.00 1.00 C ATOM 299 C PRO A 21 -6.365 -2.066 1.715 1.00 1.00 C ATOM 300 O PRO A 21 -5.168 -1.963 1.982 1.00 1.00 O ATOM 301 CB PRO A 21 -8.050 -0.245 1.332 1.00 1.00 C ATOM 302 CG PRO A 21 -9.358 -0.921 1.106 1.00 1.00 C ATOM 303 CD PRO A 21 -9.237 -1.624 -0.216 1.00 1.00 C ATOM 0 HA PRO A 21 -6.186 -0.625 0.211 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -7.848 -0.121 2.396 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -8.037 0.750 0.887 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -9.575 -1.629 1.906 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -10.173 -0.198 1.090 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -9.832 -2.537 -0.242 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -9.580 -0.996 -1.038 1.00 1.00 H new ATOM 311 N SER A 22 -7.161 -2.954 2.304 1.00 1.00 N ATOM 312 CA SER A 22 -6.659 -3.876 3.317 1.00 1.00 C ATOM 313 C SER A 22 -5.527 -4.730 2.760 1.00 1.00 C ATOM 314 O SER A 22 -4.576 -5.054 3.470 1.00 1.00 O ATOM 315 CB SER A 22 -7.789 -4.773 3.825 1.00 1.00 C ATOM 316 OG SER A 22 -8.128 -5.759 2.865 1.00 1.00 O ATOM 0 H SER A 22 -8.155 -3.054 2.097 1.00 1.00 H new ATOM 0 HA SER A 22 -6.271 -3.288 4.148 1.00 1.00 H new ATOM 0 HB2 SER A 22 -7.485 -5.255 4.754 1.00 1.00 H new ATOM 0 HB3 SER A 22 -8.665 -4.166 4.052 1.00 1.00 H new ATOM 0 HG SER A 22 -8.851 -6.321 3.214 1.00 1.00 H new ATOM 322 N THR A 23 -5.631 -5.087 1.483 1.00 1.00 N ATOM 323 CA THR A 23 -4.608 -5.898 0.838 1.00 1.00 C ATOM 324 C THR A 23 -3.274 -5.168 0.836 1.00 1.00 C ATOM 325 O THR A 23 -2.228 -5.760 1.096 1.00 1.00 O ATOM 326 CB THR A 23 -5.021 -6.249 -0.592 1.00 1.00 C ATOM 327 OG1 THR A 23 -6.423 -6.431 -0.678 1.00 1.00 O ATOM 328 CG2 THR A 23 -4.361 -7.507 -1.113 1.00 1.00 C ATOM 0 H THR A 23 -6.410 -4.828 0.878 1.00 1.00 H new ATOM 0 HA THR A 23 -4.499 -6.823 1.403 1.00 1.00 H new ATOM 0 HB THR A 23 -4.694 -5.407 -1.203 1.00 1.00 H new ATOM 0 HG1 THR A 23 -6.626 -7.078 -1.385 1.00 1.00 H new ATOM 0 HG21 THR A 23 -4.697 -7.699 -2.132 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.278 -7.380 -1.106 1.00 1.00 H new ATOM 0 HG23 THR A 23 -4.631 -8.350 -0.477 1.00 1.00 H new ATOM 336 N LEU A 24 -3.321 -3.871 0.556 1.00 1.00 N ATOM 337 CA LEU A 24 -2.120 -3.052 0.539 1.00 1.00 C ATOM 338 C LEU A 24 -1.413 -3.143 1.878 1.00 1.00 C ATOM 339 O LEU A 24 -0.195 -3.296 1.946 1.00 1.00 O ATOM 340 CB LEU A 24 -2.468 -1.595 0.237 1.00 1.00 C ATOM 341 CG LEU A 24 -3.633 -1.382 -0.730 1.00 1.00 C ATOM 342 CD1 LEU A 24 -3.726 0.080 -1.140 1.00 1.00 C ATOM 343 CD2 LEU A 24 -3.482 -2.275 -1.953 1.00 1.00 C ATOM 0 H LEU A 24 -4.180 -3.366 0.338 1.00 1.00 H new ATOM 0 HA LEU A 24 -1.459 -3.423 -0.244 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -2.702 -1.094 1.176 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -1.584 -1.106 -0.173 1.00 1.00 H new ATOM 0 HG LEU A 24 -4.558 -1.654 -0.221 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -4.561 0.212 -1.828 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -3.884 0.697 -0.255 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -2.800 0.380 -1.631 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.320 -2.110 -2.630 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -2.550 -2.036 -2.465 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.468 -3.319 -1.641 1.00 1.00 H new ATOM 355 N GLU A 25 -2.197 -3.054 2.943 1.00 1.00 N ATOM 356 CA GLU A 25 -1.659 -3.132 4.295 1.00 1.00 C ATOM 357 C GLU A 25 -0.888 -4.431 4.483 1.00 1.00 C ATOM 358 O GLU A 25 0.099 -4.480 5.217 1.00 1.00 O ATOM 359 CB GLU A 25 -2.786 -3.027 5.326 1.00 1.00 C ATOM 360 CG GLU A 25 -2.384 -2.289 6.593 1.00 1.00 C ATOM 361 CD GLU A 25 -2.222 -3.215 7.783 1.00 1.00 C ATOM 362 OE1 GLU A 25 -3.110 -4.067 7.997 1.00 1.00 O ATOM 363 OE2 GLU A 25 -1.208 -3.088 8.500 1.00 1.00 O ATOM 0 H GLU A 25 -3.208 -2.928 2.898 1.00 1.00 H new ATOM 0 HA GLU A 25 -0.975 -2.297 4.445 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -3.636 -2.517 4.872 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -3.120 -4.030 5.590 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -1.447 -1.760 6.419 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -3.137 -1.535 6.824 1.00 1.00 H new ATOM 370 N ALA A 26 -1.336 -5.473 3.799 1.00 1.00 N ATOM 371 CA ALA A 26 -0.690 -6.764 3.867 1.00 1.00 C ATOM 372 C ALA A 26 0.625 -6.726 3.104 1.00 1.00 C ATOM 373 O ALA A 26 1.610 -7.350 3.498 1.00 1.00 O ATOM 374 CB ALA A 26 -1.601 -7.851 3.316 1.00 1.00 C ATOM 0 H ALA A 26 -2.152 -5.443 3.187 1.00 1.00 H new ATOM 0 HA ALA A 26 -0.482 -6.998 4.911 1.00 1.00 H new ATOM 0 HB1 ALA A 26 -1.095 -8.815 3.377 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -2.520 -7.886 3.901 1.00 1.00 H new ATOM 0 HB3 ALA A 26 -1.841 -7.632 2.276 1.00 1.00 H new ATOM 380 N HIS A 27 0.628 -5.965 2.017 1.00 1.00 N ATOM 381 CA HIS A 27 1.812 -5.804 1.189 1.00 1.00 C ATOM 382 C HIS A 27 2.808 -4.908 1.905 1.00 1.00 C ATOM 383 O HIS A 27 3.982 -5.246 2.054 1.00 1.00 O ATOM 384 CB HIS A 27 1.416 -5.198 -0.159 1.00 1.00 C ATOM 385 CG HIS A 27 2.571 -4.812 -1.029 1.00 1.00 C ATOM 386 ND1 HIS A 27 3.233 -5.683 -1.865 1.00 1.00 N ATOM 387 CD2 HIS A 27 3.169 -3.606 -1.196 1.00 1.00 C ATOM 388 CE1 HIS A 27 4.191 -4.995 -2.501 1.00 1.00 C ATOM 389 NE2 HIS A 27 4.192 -3.729 -2.130 1.00 1.00 N ATOM 0 H HIS A 27 -0.186 -5.446 1.688 1.00 1.00 H new ATOM 0 HA HIS A 27 2.275 -6.775 1.012 1.00 1.00 H new ATOM 0 HB2 HIS A 27 0.796 -5.915 -0.697 1.00 1.00 H new ATOM 0 HB3 HIS A 27 0.801 -4.316 0.020 1.00 1.00 H new ATOM 0 HD1 HIS A 27 3.030 -6.676 -1.980 1.00 1.00 H new ATOM 0 HD2 HIS A 27 2.894 -2.695 -0.685 1.00 1.00 H new ATOM 0 HE1 HIS A 27 4.873 -5.421 -3.222 1.00 1.00 H new ATOM 397 N GLN A 28 2.311 -3.772 2.370 1.00 1.00 N ATOM 398 CA GLN A 28 3.128 -2.819 3.105 1.00 1.00 C ATOM 399 C GLN A 28 3.602 -3.433 4.423 1.00 1.00 C ATOM 400 O GLN A 28 4.539 -2.938 5.048 1.00 1.00 O ATOM 401 CB GLN A 28 2.324 -1.544 3.381 1.00 1.00 C ATOM 402 CG GLN A 28 2.787 -0.345 2.570 1.00 1.00 C ATOM 403 CD GLN A 28 2.971 0.897 3.419 1.00 1.00 C ATOM 404 OE1 GLN A 28 2.019 1.408 4.009 1.00 1.00 O ATOM 405 NE2 GLN A 28 4.202 1.392 3.484 1.00 1.00 N ATOM 0 H GLN A 28 1.339 -3.487 2.250 1.00 1.00 H new ATOM 0 HA GLN A 28 4.000 -2.567 2.502 1.00 1.00 H new ATOM 0 HB2 GLN A 28 1.273 -1.734 3.165 1.00 1.00 H new ATOM 0 HB3 GLN A 28 2.393 -1.303 4.442 1.00 1.00 H new ATOM 0 HG2 GLN A 28 3.729 -0.586 2.077 1.00 1.00 H new ATOM 0 HG3 GLN A 28 2.060 -0.139 1.785 1.00 1.00 H new ATOM 0 HE21 GLN A 28 4.962 0.937 2.979 1.00 1.00 H new ATOM 0 HE22 GLN A 28 4.387 2.228 4.039 1.00 1.00 H new ATOM 414 N ALA A 29 2.936 -4.510 4.841 1.00 1.00 N ATOM 415 CA ALA A 29 3.276 -5.189 6.084 1.00 1.00 C ATOM 416 C ALA A 29 4.612 -5.918 5.990 1.00 1.00 C ATOM 417 O ALA A 29 5.537 -5.626 6.749 1.00 1.00 O ATOM 418 CB ALA A 29 2.171 -6.161 6.467 1.00 1.00 C ATOM 0 H ALA A 29 2.157 -4.929 4.333 1.00 1.00 H new ATOM 0 HA ALA A 29 3.374 -4.428 6.859 1.00 1.00 H new ATOM 0 HB1 ALA A 29 2.435 -6.664 7.398 1.00 1.00 H new ATOM 0 HB2 ALA A 29 1.237 -5.615 6.601 1.00 1.00 H new ATOM 0 HB3 ALA A 29 2.048 -6.902 5.677 1.00 1.00 H new ATOM 424 N TYR A 30 4.711 -6.881 5.076 1.00 1.00 N ATOM 425 CA TYR A 30 5.938 -7.650 4.927 1.00 1.00 C ATOM 426 C TYR A 30 6.235 -7.998 3.469 1.00 1.00 C ATOM 427 O TYR A 30 7.084 -8.845 3.193 1.00 1.00 O ATOM 428 CB TYR A 30 5.836 -8.933 5.745 1.00 1.00 C ATOM 429 CG TYR A 30 6.112 -8.740 7.219 1.00 1.00 C ATOM 430 CD1 TYR A 30 7.412 -8.607 7.690 1.00 1.00 C ATOM 431 CD2 TYR A 30 5.071 -8.687 8.137 1.00 1.00 C ATOM 432 CE1 TYR A 30 7.667 -8.429 9.037 1.00 1.00 C ATOM 433 CE2 TYR A 30 5.319 -8.509 9.485 1.00 1.00 C ATOM 434 CZ TYR A 30 6.617 -8.380 9.930 1.00 1.00 C ATOM 435 OH TYR A 30 6.867 -8.203 11.272 1.00 1.00 O ATOM 0 H TYR A 30 3.963 -7.143 4.435 1.00 1.00 H new ATOM 0 HA TYR A 30 6.758 -7.030 5.289 1.00 1.00 H new ATOM 0 HB2 TYR A 30 4.837 -9.352 5.624 1.00 1.00 H new ATOM 0 HB3 TYR A 30 6.539 -9.664 5.346 1.00 1.00 H new ATOM 0 HD1 TYR A 30 8.236 -8.643 6.993 1.00 1.00 H new ATOM 0 HD2 TYR A 30 4.052 -8.786 7.792 1.00 1.00 H new ATOM 0 HE1 TYR A 30 8.683 -8.329 9.388 1.00 1.00 H new ATOM 0 HE2 TYR A 30 4.499 -8.471 10.187 1.00 1.00 H new ATOM 0 HH TYR A 30 6.019 -8.190 11.764 1.00 1.00 H new ATOM 445 N TYR A 31 5.541 -7.353 2.537 1.00 1.00 N ATOM 446 CA TYR A 31 5.758 -7.624 1.121 1.00 1.00 C ATOM 447 C TYR A 31 6.576 -6.514 0.465 1.00 1.00 C ATOM 448 O TYR A 31 7.463 -6.783 -0.345 1.00 1.00 O ATOM 449 CB TYR A 31 4.420 -7.791 0.403 1.00 1.00 C ATOM 450 CG TYR A 31 4.408 -8.924 -0.598 1.00 1.00 C ATOM 451 CD1 TYR A 31 4.042 -10.208 -0.214 1.00 1.00 C ATOM 452 CD2 TYR A 31 4.762 -8.712 -1.924 1.00 1.00 C ATOM 453 CE1 TYR A 31 4.031 -11.249 -1.122 1.00 1.00 C ATOM 454 CE2 TYR A 31 4.752 -9.747 -2.839 1.00 1.00 C ATOM 455 CZ TYR A 31 4.385 -11.013 -2.433 1.00 1.00 C ATOM 456 OH TYR A 31 4.375 -12.047 -3.341 1.00 1.00 O ATOM 0 H TYR A 31 4.832 -6.647 2.733 1.00 1.00 H new ATOM 0 HA TYR A 31 6.323 -8.552 1.038 1.00 1.00 H new ATOM 0 HB2 TYR A 31 3.639 -7.963 1.143 1.00 1.00 H new ATOM 0 HB3 TYR A 31 4.174 -6.861 -0.110 1.00 1.00 H new ATOM 0 HD1 TYR A 31 3.761 -10.395 0.812 1.00 1.00 H new ATOM 0 HD2 TYR A 31 5.050 -7.722 -2.245 1.00 1.00 H new ATOM 0 HE1 TYR A 31 3.747 -12.242 -0.806 1.00 1.00 H new ATOM 0 HE2 TYR A 31 5.030 -9.566 -3.867 1.00 1.00 H new ATOM 0 HH TYR A 31 4.649 -11.713 -4.221 1.00 1.00 H new ATOM 466 N CYS A 32 6.278 -5.269 0.820 1.00 1.00 N ATOM 467 CA CYS A 32 6.994 -4.127 0.264 1.00 1.00 C ATOM 468 C CYS A 32 8.382 -4.004 0.883 1.00 1.00 C ATOM 469 O CYS A 32 8.577 -3.267 1.850 1.00 1.00 O ATOM 470 CB CYS A 32 6.205 -2.836 0.491 1.00 1.00 C ATOM 471 SG CYS A 32 6.508 -1.551 -0.765 1.00 1.00 S ATOM 0 H CYS A 32 5.547 -5.025 1.489 1.00 1.00 H new ATOM 0 HA CYS A 32 7.105 -4.289 -0.808 1.00 1.00 H new ATOM 0 HB2 CYS A 32 5.141 -3.071 0.506 1.00 1.00 H new ATOM 0 HB3 CYS A 32 6.457 -2.436 1.473 1.00 1.00 H new ATOM 476 N SER A 33 9.344 -4.731 0.320 1.00 1.00 N ATOM 477 CA SER A 33 10.718 -4.708 0.815 1.00 1.00 C ATOM 478 C SER A 33 10.840 -5.496 2.114 1.00 1.00 C ATOM 479 O SER A 33 9.838 -5.914 2.694 1.00 1.00 O ATOM 480 CB SER A 33 11.192 -3.268 1.029 1.00 1.00 C ATOM 481 OG SER A 33 12.607 -3.198 1.072 1.00 1.00 O ATOM 0 H SER A 33 9.197 -5.345 -0.481 1.00 1.00 H new ATOM 0 HA SER A 33 11.352 -5.177 0.063 1.00 1.00 H new ATOM 0 HB2 SER A 33 10.818 -2.635 0.224 1.00 1.00 H new ATOM 0 HB3 SER A 33 10.777 -2.880 1.959 1.00 1.00 H new ATOM 0 HG SER A 33 12.885 -2.268 1.208 1.00 1.00 H new ATOM 487 N HIS A 34 12.074 -5.695 2.567 1.00 1.00 N ATOM 488 CA HIS A 34 12.325 -6.434 3.799 1.00 1.00 C ATOM 489 C HIS A 34 12.432 -5.487 4.989 1.00 1.00 C ATOM 490 O HIS A 34 13.530 -5.144 5.426 1.00 1.00 O ATOM 491 CB HIS A 34 13.607 -7.259 3.671 1.00 1.00 C ATOM 492 CG HIS A 34 13.503 -8.376 2.680 1.00 1.00 C ATOM 493 ND1 HIS A 34 13.586 -8.183 1.317 1.00 1.00 N ATOM 494 CD2 HIS A 34 13.321 -9.706 2.859 1.00 1.00 C ATOM 495 CE1 HIS A 34 13.459 -9.345 0.700 1.00 1.00 C ATOM 496 NE2 HIS A 34 13.298 -10.285 1.614 1.00 1.00 N ATOM 0 H HIS A 34 12.915 -5.355 2.100 1.00 1.00 H new ATOM 0 HA HIS A 34 11.484 -7.107 3.968 1.00 1.00 H new ATOM 0 HB2 HIS A 34 14.425 -6.601 3.380 1.00 1.00 H new ATOM 0 HB3 HIS A 34 13.862 -7.672 4.647 1.00 1.00 H new ATOM 0 HD2 HIS A 34 13.214 -10.216 3.805 1.00 1.00 H new ATOM 0 HE1 HIS A 34 13.483 -9.499 -0.369 1.00 1.00 H new ATOM 0 HE2 HIS A 34 13.176 -11.280 1.425 1.00 1.00 H new ATOM 505 N ARG A 35 11.283 -5.068 5.510 1.00 1.00 N ATOM 506 CA ARG A 35 11.247 -4.160 6.650 1.00 1.00 C ATOM 507 C ARG A 35 11.439 -4.923 7.957 1.00 1.00 C ATOM 508 O ARG A 35 10.999 -6.064 8.092 1.00 1.00 O ATOM 509 CB ARG A 35 9.921 -3.397 6.682 1.00 1.00 C ATOM 510 CG ARG A 35 9.608 -2.667 5.386 1.00 1.00 C ATOM 511 CD ARG A 35 8.459 -1.689 5.563 1.00 1.00 C ATOM 512 NE ARG A 35 8.186 -0.937 4.340 1.00 1.00 N ATOM 513 CZ ARG A 35 7.492 0.199 4.307 1.00 1.00 C ATOM 514 NH1 ARG A 35 7.003 0.719 5.426 1.00 1.00 N ATOM 515 NH2 ARG A 35 7.288 0.817 3.151 1.00 1.00 N ATOM 0 H ARG A 35 10.365 -5.343 5.161 1.00 1.00 H new ATOM 0 HA ARG A 35 12.064 -3.447 6.541 1.00 1.00 H new ATOM 0 HB2 ARG A 35 9.114 -4.097 6.899 1.00 1.00 H new ATOM 0 HB3 ARG A 35 9.946 -2.676 7.499 1.00 1.00 H new ATOM 0 HG2 ARG A 35 10.494 -2.131 5.045 1.00 1.00 H new ATOM 0 HG3 ARG A 35 9.355 -3.391 4.611 1.00 1.00 H new ATOM 0 HD2 ARG A 35 7.563 -2.233 5.862 1.00 1.00 H new ATOM 0 HD3 ARG A 35 8.695 -0.995 6.370 1.00 1.00 H new ATOM 0 HE ARG A 35 8.548 -1.304 3.460 1.00 1.00 H new ATOM 0 HH11 ARG A 35 7.158 0.248 6.317 1.00 1.00 H new ATOM 0 HH12 ARG A 35 6.472 1.589 5.394 1.00 1.00 H new ATOM 0 HH21 ARG A 35 7.663 0.422 2.288 1.00 1.00 H new ATOM 0 HH22 ARG A 35 6.757 1.687 3.125 1.00 1.00 H new ATOM 529 N ILE A 36 12.100 -4.284 8.916 1.00 1.00 N ATOM 530 CA ILE A 36 12.351 -4.901 10.213 1.00 1.00 C ATOM 531 C ILE A 36 11.244 -4.559 11.207 1.00 1.00 C ATOM 532 O ILE A 36 10.831 -5.461 11.966 1.00 1.00 O ATOM 533 CB ILE A 36 13.710 -4.458 10.791 1.00 1.00 C ATOM 534 CG1 ILE A 36 14.013 -5.215 12.087 1.00 1.00 C ATOM 535 CG2 ILE A 36 13.724 -2.955 11.031 1.00 1.00 C ATOM 536 CD1 ILE A 36 14.976 -6.367 11.902 1.00 1.00 C ATOM 537 OXT ILE A 36 10.801 -3.391 11.218 1.00 1.00 O ATOM 0 H ILE A 36 12.472 -3.339 8.820 1.00 1.00 H new ATOM 0 HA ILE A 36 12.369 -5.979 10.056 1.00 1.00 H new ATOM 0 HB ILE A 36 14.488 -4.695 10.065 1.00 1.00 H new ATOM 0 HG12 ILE A 36 14.427 -4.519 12.817 1.00 1.00 H new ATOM 0 HG13 ILE A 36 13.080 -5.595 12.503 1.00 1.00 H new ATOM 0 HG21 ILE A 36 14.691 -2.661 11.439 1.00 1.00 H new ATOM 0 HG22 ILE A 36 13.554 -2.434 10.089 1.00 1.00 H new ATOM 0 HG23 ILE A 36 12.937 -2.692 11.738 1.00 1.00 H new ATOM 0 HD11 ILE A 36 15.145 -6.858 12.861 1.00 1.00 H new ATOM 0 HD12 ILE A 36 14.555 -7.084 11.197 1.00 1.00 H new ATOM 0 HD13 ILE A 36 15.923 -5.991 11.515 1.00 1.00 H new TER 549 ILE A 36 HETATM 550 ZN ZN A 37 5.294 -2.142 -2.627 1.00 1.00 ZN