USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 530 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 Single : A 1 HIS :FLIP no HD1:sc= -0.0799 F(o=-0.7,f=-0.08) USER MOD Single : A 1 HIS N :NH3+ -155:sc= -0.402 (180deg=-1.36!) USER MOD Single : A 2 THR OG1 : rot -11:sc= -0.273 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.707 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.482 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -150:sc= -0.107 USER MOD Single : A 13 SER OG : rot -87:sc= 1.12 USER MOD Single : A 14 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.65) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.2!) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.028 K(o=-0.028,f=-0.88) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -53:sc= 0.386 USER MOD Single : A 43 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.016) USER MOD Single : A 49 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.118) USER MOD Single : A 50 GLN : amide:sc= -1.89 K(o=-1.9,f=-3.8!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -2.11 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.192) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.433 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 2.937 -3.345 10.433 1.00 0.00 N ATOM 2 CA HIS A 1 1.944 -3.049 9.407 1.00 0.00 C ATOM 3 C HIS A 1 1.953 -1.565 9.053 1.00 0.00 C ATOM 4 O HIS A 1 1.168 -0.783 9.591 1.00 0.00 O ATOM 5 CB HIS A 1 0.551 -3.464 9.881 1.00 0.00 C ATOM 6 CG HIS A 1 0.084 -4.765 9.304 1.00 0.00 C ATOM 7 ND1 HIS A 1 0.229 -5.286 8.063 1.00 0.00 N flip ATOM 8 CD2 HIS A 1 -0.627 -5.698 10.029 1.00 0.00 C flip ATOM 9 CE1 HIS A 1 -0.389 -6.512 8.061 1.00 0.00 C flip ATOM 10 NE2 HIS A 1 -0.898 -6.737 9.259 1.00 0.00 N flip ATOM 0 H1 HIS A 1 3.219 -4.344 10.365 1.00 0.00 H new ATOM 0 H2 HIS A 1 3.771 -2.739 10.294 1.00 0.00 H new ATOM 0 H3 HIS A 1 2.530 -3.164 11.373 1.00 0.00 H new ATOM 0 HA HIS A 1 2.200 -3.618 8.514 1.00 0.00 H new ATOM 0 HB2 HIS A 1 0.554 -3.539 10.968 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -0.161 -2.682 9.617 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -0.917 -5.595 11.064 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -0.449 -7.183 7.217 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -1.413 -7.571 9.542 1.00 0.00 H new ATOM 18 N THR A 2 2.846 -1.183 8.146 1.00 0.00 N ATOM 19 CA THR A 2 2.959 0.206 7.722 1.00 0.00 C ATOM 20 C THR A 2 3.705 0.318 6.397 1.00 0.00 C ATOM 21 O THR A 2 4.910 0.566 6.354 1.00 0.00 O ATOM 22 CB THR A 2 3.684 1.059 8.780 1.00 0.00 C ATOM 23 OG1 THR A 2 2.942 1.055 10.004 1.00 0.00 O ATOM 24 CG2 THR A 2 3.861 2.490 8.293 1.00 0.00 C ATOM 0 H THR A 2 3.502 -1.817 7.691 1.00 0.00 H new ATOM 0 HA THR A 2 1.943 0.582 7.597 1.00 0.00 H new ATOM 0 HB THR A 2 4.669 0.626 8.951 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.055 0.670 9.847 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.375 3.073 9.057 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.451 2.492 7.376 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.884 2.931 8.097 1.00 0.00 H new ATOM 32 N PRO A 3 2.974 0.132 5.288 1.00 0.00 N ATOM 33 CA PRO A 3 3.546 0.208 3.940 1.00 0.00 C ATOM 34 C PRO A 3 3.942 1.631 3.559 1.00 0.00 C ATOM 35 O PRO A 3 3.112 2.414 3.094 1.00 0.00 O ATOM 36 CB PRO A 3 2.410 -0.289 3.044 1.00 0.00 C ATOM 37 CG PRO A 3 1.167 -0.005 3.814 1.00 0.00 C ATOM 38 CD PRO A 3 1.532 -0.168 5.264 1.00 0.00 C ATOM 0 HA PRO A 3 4.462 -0.376 3.852 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.408 0.228 2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 3 2.510 -1.354 2.832 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.806 1.004 3.614 1.00 0.00 H new ATOM 0 HG3 PRO A 3 0.368 -0.692 3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.969 0.515 5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.325 -1.177 5.619 1.00 0.00 H new ATOM 46 N THR A 4 5.215 1.959 3.757 1.00 0.00 N ATOM 47 CA THR A 4 5.720 3.288 3.434 1.00 0.00 C ATOM 48 C THR A 4 7.224 3.376 3.669 1.00 0.00 C ATOM 49 O THR A 4 7.812 2.568 4.388 1.00 0.00 O ATOM 50 CB THR A 4 5.016 4.375 4.268 1.00 0.00 C ATOM 51 OG1 THR A 4 4.347 3.778 5.385 1.00 0.00 O ATOM 52 CG2 THR A 4 4.014 5.143 3.420 1.00 0.00 C ATOM 0 H THR A 4 5.915 1.323 4.139 1.00 0.00 H new ATOM 0 HA THR A 4 5.509 3.459 2.378 1.00 0.00 H new ATOM 0 HB THR A 4 5.772 5.073 4.629 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.903 4.475 5.911 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.529 5.905 4.030 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.532 5.620 2.588 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.262 4.455 3.033 1.00 0.00 H new ATOM 60 N PRO A 5 7.862 4.381 3.051 1.00 0.00 N ATOM 61 CA PRO A 5 9.306 4.599 3.180 1.00 0.00 C ATOM 62 C PRO A 5 9.698 5.077 4.573 1.00 0.00 C ATOM 63 O PRO A 5 10.874 5.062 4.939 1.00 0.00 O ATOM 64 CB PRO A 5 9.594 5.685 2.141 1.00 0.00 C ATOM 65 CG PRO A 5 8.303 6.410 1.981 1.00 0.00 C ATOM 66 CD PRO A 5 7.224 5.381 2.179 1.00 0.00 C ATOM 0 HA PRO A 5 9.873 3.681 3.026 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.385 6.355 2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.924 5.252 1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.214 7.215 2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.231 6.866 0.994 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.338 5.813 2.644 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.907 4.944 1.232 1.00 0.00 H new ATOM 74 N THR A 6 8.705 5.502 5.349 1.00 0.00 N ATOM 75 CA THR A 6 8.946 5.986 6.703 1.00 0.00 C ATOM 76 C THR A 6 7.641 6.369 7.391 1.00 0.00 C ATOM 77 O THR A 6 6.697 6.846 6.761 1.00 0.00 O ATOM 78 CB THR A 6 9.891 7.203 6.705 1.00 0.00 C ATOM 79 OG1 THR A 6 10.006 7.735 5.380 1.00 0.00 O ATOM 80 CG2 THR A 6 11.268 6.818 7.224 1.00 0.00 C ATOM 0 H THR A 6 7.726 5.521 5.063 1.00 0.00 H new ATOM 0 HA THR A 6 9.416 5.169 7.251 1.00 0.00 H new ATOM 0 HB THR A 6 9.471 7.961 7.366 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.607 8.509 5.389 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.918 7.693 7.216 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.180 6.440 8.243 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.694 6.044 6.586 1.00 0.00 H new ATOM 88 N PRO A 7 7.584 6.157 8.714 1.00 0.00 N ATOM 89 CA PRO A 7 6.399 6.475 9.516 1.00 0.00 C ATOM 90 C PRO A 7 6.174 7.977 9.648 1.00 0.00 C ATOM 91 O PRO A 7 6.984 8.685 10.248 1.00 0.00 O ATOM 92 CB PRO A 7 6.719 5.860 10.881 1.00 0.00 C ATOM 93 CG PRO A 7 8.207 5.824 10.940 1.00 0.00 C ATOM 94 CD PRO A 7 8.672 5.591 9.529 1.00 0.00 C ATOM 0 HA PRO A 7 5.485 6.090 9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.305 6.459 11.692 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.295 4.860 10.974 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.605 6.760 11.332 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.552 5.029 11.601 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.622 6.088 9.332 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.818 4.530 9.324 1.00 0.00 H new ATOM 102 N ILE A 8 5.071 8.458 9.085 1.00 0.00 N ATOM 103 CA ILE A 8 4.740 9.876 9.142 1.00 0.00 C ATOM 104 C ILE A 8 3.435 10.106 9.897 1.00 0.00 C ATOM 105 O ILE A 8 2.402 9.525 9.565 1.00 0.00 O ATOM 106 CB ILE A 8 4.617 10.482 7.731 1.00 0.00 C ATOM 107 CG1 ILE A 8 5.800 10.050 6.862 1.00 0.00 C ATOM 108 CG2 ILE A 8 4.539 12.000 7.812 1.00 0.00 C ATOM 109 CD1 ILE A 8 7.134 10.560 7.359 1.00 0.00 C ATOM 0 H ILE A 8 4.391 7.886 8.584 1.00 0.00 H new ATOM 0 HA ILE A 8 5.555 10.370 9.671 1.00 0.00 H new ATOM 0 HB ILE A 8 3.699 10.114 7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.830 8.961 6.819 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.641 10.405 5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.452 12.414 6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.668 12.289 8.400 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.441 12.386 8.287 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.926 10.215 6.694 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.124 11.650 7.376 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.315 10.183 8.366 1.00 0.00 H new ATOM 121 N CYS A 9 3.490 10.960 10.914 1.00 0.00 N ATOM 122 CA CYS A 9 2.313 11.269 11.717 1.00 0.00 C ATOM 123 C CYS A 9 2.080 12.776 11.782 1.00 0.00 C ATOM 124 O CYS A 9 2.990 13.568 11.538 1.00 0.00 O ATOM 125 CB CYS A 9 2.471 10.705 13.130 1.00 0.00 C ATOM 126 SG CYS A 9 2.037 8.942 13.280 1.00 0.00 S ATOM 0 H CYS A 9 4.337 11.450 11.201 1.00 0.00 H new ATOM 0 HA CYS A 9 1.448 10.805 11.243 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.503 10.843 13.451 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.846 11.281 13.812 1.00 0.00 H new ATOM 131 N LYS A 10 0.853 13.165 12.113 1.00 0.00 N ATOM 132 CA LYS A 10 0.499 14.576 12.212 1.00 0.00 C ATOM 133 C LYS A 10 0.030 14.922 13.622 1.00 0.00 C ATOM 134 O LYS A 10 -0.647 14.126 14.274 1.00 0.00 O ATOM 135 CB LYS A 10 -0.597 14.920 11.201 1.00 0.00 C ATOM 136 CG LYS A 10 -1.967 14.387 11.583 1.00 0.00 C ATOM 137 CD LYS A 10 -2.768 13.977 10.359 1.00 0.00 C ATOM 138 CE LYS A 10 -4.196 13.605 10.726 1.00 0.00 C ATOM 139 NZ LYS A 10 -4.638 12.359 10.041 1.00 0.00 N ATOM 0 H LYS A 10 0.087 12.523 12.317 1.00 0.00 H new ATOM 0 HA LYS A 10 1.389 15.164 11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.655 16.003 11.095 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.319 14.519 10.226 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.853 13.531 12.247 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.513 15.150 12.137 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.778 14.795 9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.284 13.130 9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.271 13.472 11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.865 14.423 10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.616 12.139 10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.591 12.494 9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.016 11.572 10.316 1.00 0.00 H new ATOM 153 N SER A 11 0.394 16.113 14.086 1.00 0.00 N ATOM 154 CA SER A 11 0.013 16.562 15.420 1.00 0.00 C ATOM 155 C SER A 11 -0.152 18.078 15.456 1.00 0.00 C ATOM 156 O SER A 11 0.564 18.808 14.769 1.00 0.00 O ATOM 157 CB SER A 11 1.061 16.127 16.447 1.00 0.00 C ATOM 158 OG SER A 11 2.195 15.563 15.811 1.00 0.00 O ATOM 0 H SER A 11 0.952 16.784 13.558 1.00 0.00 H new ATOM 0 HA SER A 11 -0.943 16.103 15.671 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.365 16.985 17.046 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.624 15.399 17.131 1.00 0.00 H new ATOM 0 HG SER A 11 2.603 14.895 16.401 1.00 0.00 H new ATOM 164 N ARG A 12 -1.099 18.545 16.262 1.00 0.00 N ATOM 165 CA ARG A 12 -1.360 19.974 16.388 1.00 0.00 C ATOM 166 C ARG A 12 -0.587 20.567 17.562 1.00 0.00 C ATOM 167 O ARG A 12 -0.756 20.145 18.706 1.00 0.00 O ATOM 168 CB ARG A 12 -2.858 20.227 16.570 1.00 0.00 C ATOM 169 CG ARG A 12 -3.457 19.501 17.763 1.00 0.00 C ATOM 170 CD ARG A 12 -4.653 18.654 17.356 1.00 0.00 C ATOM 171 NE ARG A 12 -5.507 18.329 18.495 1.00 0.00 N ATOM 172 CZ ARG A 12 -6.596 17.574 18.406 1.00 0.00 C ATOM 173 NH1 ARG A 12 -6.963 17.069 17.236 1.00 0.00 N ATOM 174 NH2 ARG A 12 -7.321 17.323 19.488 1.00 0.00 N ATOM 0 H ARG A 12 -1.699 17.955 16.838 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.025 20.461 15.472 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.026 21.298 16.685 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.383 19.918 15.666 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.699 18.866 18.222 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.763 20.227 18.516 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.237 19.188 16.606 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.303 17.732 16.891 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.253 18.702 19.410 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.408 17.260 16.402 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.800 16.489 17.171 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.042 17.710 20.390 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.157 16.743 19.418 1.00 0.00 H new ATOM 188 N SER A 13 0.262 21.547 17.271 1.00 0.00 N ATOM 189 CA SER A 13 1.065 22.195 18.302 1.00 0.00 C ATOM 190 C SER A 13 0.215 23.153 19.130 1.00 0.00 C ATOM 191 O SER A 13 -1.013 23.157 19.029 1.00 0.00 O ATOM 192 CB SER A 13 2.234 22.951 17.667 1.00 0.00 C ATOM 193 OG SER A 13 1.899 24.308 17.438 1.00 0.00 O ATOM 0 H SER A 13 0.412 21.910 16.330 1.00 0.00 H new ATOM 0 HA SER A 13 1.457 21.422 18.962 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.106 22.893 18.319 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.509 22.477 16.725 1.00 0.00 H new ATOM 0 HG SER A 13 1.469 24.395 16.562 1.00 0.00 H new ATOM 199 N HIS A 14 0.876 23.964 19.950 1.00 0.00 N ATOM 200 CA HIS A 14 0.182 24.927 20.796 1.00 0.00 C ATOM 201 C HIS A 14 0.453 26.355 20.330 1.00 0.00 C ATOM 202 O HIS A 14 -0.413 27.000 19.741 1.00 0.00 O ATOM 203 CB HIS A 14 0.616 24.764 22.253 1.00 0.00 C ATOM 204 CG HIS A 14 0.062 25.815 23.165 1.00 0.00 C ATOM 205 ND1 HIS A 14 -1.129 26.468 22.926 1.00 0.00 N ATOM 206 CD2 HIS A 14 0.543 26.325 24.323 1.00 0.00 C ATOM 207 CE1 HIS A 14 -1.355 27.335 23.896 1.00 0.00 C ATOM 208 NE2 HIS A 14 -0.356 27.268 24.757 1.00 0.00 N ATOM 0 H HIS A 14 1.891 23.973 20.046 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.888 24.735 20.719 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.302 23.783 22.609 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.705 24.788 22.304 1.00 0.00 H new ATOM 0 HD2 HIS A 14 1.463 26.043 24.814 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.212 27.988 23.972 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.267 27.826 25.606 1.00 0.00 H new ATOM 216 N GLU A 15 1.661 26.840 20.598 1.00 0.00 N ATOM 217 CA GLU A 15 2.045 28.192 20.207 1.00 0.00 C ATOM 218 C GLU A 15 1.749 28.435 18.729 1.00 0.00 C ATOM 219 O GLU A 15 1.158 29.451 18.362 1.00 0.00 O ATOM 220 CB GLU A 15 3.531 28.425 20.486 1.00 0.00 C ATOM 221 CG GLU A 15 4.435 27.347 19.912 1.00 0.00 C ATOM 222 CD GLU A 15 5.864 27.461 20.405 1.00 0.00 C ATOM 223 OE1 GLU A 15 6.168 26.898 21.478 1.00 0.00 O ATOM 224 OE2 GLU A 15 6.679 28.112 19.718 1.00 0.00 O ATOM 0 H GLU A 15 2.390 26.318 21.084 1.00 0.00 H new ATOM 0 HA GLU A 15 1.458 28.895 20.798 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.823 29.390 20.072 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.685 28.481 21.564 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.040 26.367 20.179 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.424 27.410 18.824 1.00 0.00 H new ATOM 231 N TYR A 16 2.165 27.496 17.887 1.00 0.00 N ATOM 232 CA TYR A 16 1.948 27.609 16.450 1.00 0.00 C ATOM 233 C TYR A 16 0.718 26.814 16.020 1.00 0.00 C ATOM 234 O TYR A 16 0.830 25.691 15.528 1.00 0.00 O ATOM 235 CB TYR A 16 3.179 27.116 15.687 1.00 0.00 C ATOM 236 CG TYR A 16 3.991 28.230 15.065 1.00 0.00 C ATOM 237 CD1 TYR A 16 4.873 28.983 15.830 1.00 0.00 C ATOM 238 CD2 TYR A 16 3.877 28.529 13.713 1.00 0.00 C ATOM 239 CE1 TYR A 16 5.617 30.002 15.267 1.00 0.00 C ATOM 240 CE2 TYR A 16 4.617 29.545 13.141 1.00 0.00 C ATOM 241 CZ TYR A 16 5.486 30.279 13.922 1.00 0.00 C ATOM 242 OH TYR A 16 6.225 31.292 13.356 1.00 0.00 O ATOM 0 H TYR A 16 2.654 26.648 18.175 1.00 0.00 H new ATOM 0 HA TYR A 16 1.779 28.660 16.216 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.815 26.550 16.367 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.860 26.429 14.903 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.979 28.768 16.883 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.198 27.957 13.099 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.297 30.578 15.876 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.516 29.764 12.088 1.00 0.00 H new ATOM 0 HH TYR A 16 6.015 31.355 12.401 1.00 0.00 H new ATOM 252 N LYS A 17 -0.456 27.406 16.209 1.00 0.00 N ATOM 253 CA LYS A 17 -1.709 26.757 15.841 1.00 0.00 C ATOM 254 C LYS A 17 -2.360 27.463 14.656 1.00 0.00 C ATOM 255 O LYS A 17 -3.579 27.621 14.609 1.00 0.00 O ATOM 256 CB LYS A 17 -2.670 26.744 17.032 1.00 0.00 C ATOM 257 CG LYS A 17 -3.246 25.371 17.333 1.00 0.00 C ATOM 258 CD LYS A 17 -4.042 24.830 16.158 1.00 0.00 C ATOM 259 CE LYS A 17 -5.534 24.818 16.453 1.00 0.00 C ATOM 260 NZ LYS A 17 -6.221 26.013 15.890 1.00 0.00 N ATOM 0 H LYS A 17 -0.566 28.335 16.615 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.486 25.730 15.551 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.146 27.111 17.915 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.488 27.437 16.836 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.437 24.681 17.574 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.888 25.430 18.212 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.850 25.440 15.275 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.708 23.819 15.926 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.979 23.914 16.037 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.691 24.784 17.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.236 25.967 16.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.814 26.875 16.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.094 26.033 14.858 1.00 0.00 H new ATOM 274 N GLY A 18 -1.538 27.886 13.700 1.00 0.00 N ATOM 275 CA GLY A 18 -2.053 28.569 12.528 1.00 0.00 C ATOM 276 C GLY A 18 -1.441 29.944 12.343 1.00 0.00 C ATOM 277 O GLY A 18 -0.310 30.189 12.764 1.00 0.00 O ATOM 0 H GLY A 18 -0.525 27.768 13.717 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.855 27.965 11.643 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.135 28.665 12.613 1.00 0.00 H new ATOM 281 N ARG A 19 -2.189 30.842 11.711 1.00 0.00 N ATOM 282 CA ARG A 19 -1.712 32.199 11.468 1.00 0.00 C ATOM 283 C ARG A 19 -0.337 32.181 10.806 1.00 0.00 C ATOM 284 O ARG A 19 0.588 32.859 11.255 1.00 0.00 O ATOM 285 CB ARG A 19 -1.648 32.982 12.780 1.00 0.00 C ATOM 286 CG ARG A 19 -2.992 33.107 13.481 1.00 0.00 C ATOM 287 CD ARG A 19 -2.886 33.948 14.743 1.00 0.00 C ATOM 288 NE ARG A 19 -3.533 33.307 15.884 1.00 0.00 N ATOM 289 CZ ARG A 19 -3.637 33.871 17.083 1.00 0.00 C ATOM 290 NH1 ARG A 19 -3.139 35.081 17.295 1.00 0.00 N ATOM 291 NH2 ARG A 19 -4.240 33.223 18.072 1.00 0.00 N ATOM 0 H ARG A 19 -3.127 30.655 11.358 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.414 32.689 10.794 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.942 32.493 13.451 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.258 33.980 12.579 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.717 33.557 12.803 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.365 32.115 13.734 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.835 34.124 14.974 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.342 34.923 14.568 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.927 32.375 15.754 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.675 35.581 16.537 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.220 35.512 18.216 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.624 32.292 17.912 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.319 33.656 18.992 1.00 0.00 H new ATOM 305 N CYS A 20 -0.210 31.401 9.738 1.00 0.00 N ATOM 306 CA CYS A 20 1.051 31.294 9.015 1.00 0.00 C ATOM 307 C CYS A 20 0.835 31.474 7.515 1.00 0.00 C ATOM 308 O CYS A 20 1.441 32.346 6.891 1.00 0.00 O ATOM 309 CB CYS A 20 1.706 29.938 9.287 1.00 0.00 C ATOM 310 SG CYS A 20 0.520 28.585 9.579 1.00 0.00 S ATOM 0 H CYS A 20 -0.966 30.833 9.354 1.00 0.00 H new ATOM 0 HA CYS A 20 1.711 32.087 9.368 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.339 29.676 8.439 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.358 30.029 10.156 1.00 0.00 H new ATOM 315 N ILE A 21 -0.032 30.645 6.944 1.00 0.00 N ATOM 316 CA ILE A 21 -0.328 30.714 5.518 1.00 0.00 C ATOM 317 C ILE A 21 0.869 30.271 4.685 1.00 0.00 C ATOM 318 O ILE A 21 0.849 30.356 3.458 1.00 0.00 O ATOM 319 CB ILE A 21 -0.734 32.139 5.096 1.00 0.00 C ATOM 320 CG1 ILE A 21 -1.696 32.743 6.121 1.00 0.00 C ATOM 321 CG2 ILE A 21 -1.367 32.121 3.713 1.00 0.00 C ATOM 322 CD1 ILE A 21 -2.943 31.915 6.341 1.00 0.00 C ATOM 0 H ILE A 21 -0.542 29.918 7.446 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.163 30.038 5.336 1.00 0.00 H new ATOM 0 HB ILE A 21 0.161 32.760 5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.175 32.860 7.071 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.986 33.741 5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.649 33.135 3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.652 31.727 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.255 31.488 3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.578 32.403 7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.487 31.819 5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.663 30.925 6.701 1.00 0.00 H new ATOM 334 N GLN A 22 1.911 29.797 5.361 1.00 0.00 N ATOM 335 CA GLN A 22 3.117 29.339 4.683 1.00 0.00 C ATOM 336 C GLN A 22 3.596 28.011 5.261 1.00 0.00 C ATOM 337 O GLN A 22 4.003 27.938 6.420 1.00 0.00 O ATOM 338 CB GLN A 22 4.223 30.388 4.800 1.00 0.00 C ATOM 339 CG GLN A 22 3.911 31.685 4.072 1.00 0.00 C ATOM 340 CD GLN A 22 3.913 32.888 4.994 1.00 0.00 C ATOM 341 OE1 GLN A 22 4.621 32.912 6.002 1.00 0.00 O ATOM 342 NE2 GLN A 22 3.118 33.896 4.655 1.00 0.00 N ATOM 0 H GLN A 22 1.944 29.720 6.378 1.00 0.00 H new ATOM 0 HA GLN A 22 2.877 29.190 3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.396 30.605 5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.150 29.973 4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.644 31.838 3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.936 31.602 3.592 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.548 33.835 3.811 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.077 34.732 5.238 1.00 0.00 H new ATOM 351 N ASP A 23 3.545 26.964 4.445 1.00 0.00 N ATOM 352 CA ASP A 23 3.974 25.638 4.875 1.00 0.00 C ATOM 353 C ASP A 23 5.433 25.657 5.318 1.00 0.00 C ATOM 354 O ASP A 23 5.801 25.018 6.304 1.00 0.00 O ATOM 355 CB ASP A 23 3.784 24.625 3.745 1.00 0.00 C ATOM 356 CG ASP A 23 2.475 24.821 3.006 1.00 0.00 C ATOM 357 OD1 ASP A 23 1.470 25.169 3.661 1.00 0.00 O ATOM 358 OD2 ASP A 23 2.455 24.627 1.773 1.00 0.00 O ATOM 0 H ASP A 23 3.211 27.008 3.482 1.00 0.00 H new ATOM 0 HA ASP A 23 3.359 25.342 5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.612 24.711 3.041 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.818 23.616 4.156 1.00 0.00 H new ATOM 363 N MET A 24 6.261 26.393 4.583 1.00 0.00 N ATOM 364 CA MET A 24 7.680 26.494 4.901 1.00 0.00 C ATOM 365 C MET A 24 7.883 26.998 6.326 1.00 0.00 C ATOM 366 O MET A 24 8.655 26.422 7.094 1.00 0.00 O ATOM 367 CB MET A 24 8.380 27.429 3.913 1.00 0.00 C ATOM 368 CG MET A 24 8.782 26.749 2.614 1.00 0.00 C ATOM 369 SD MET A 24 10.390 27.298 2.011 1.00 0.00 S ATOM 370 CE MET A 24 11.112 25.739 1.503 1.00 0.00 C ATOM 0 H MET A 24 5.973 26.928 3.764 1.00 0.00 H new ATOM 0 HA MET A 24 8.117 25.499 4.821 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.719 28.266 3.686 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.269 27.845 4.386 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.804 25.670 2.765 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.026 26.949 1.855 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.112 25.913 1.106 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.174 25.070 2.361 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.490 25.284 0.732 1.00 0.00 H new ATOM 380 N ASP A 25 7.187 28.074 6.674 1.00 0.00 N ATOM 381 CA ASP A 25 7.291 28.655 8.007 1.00 0.00 C ATOM 382 C ASP A 25 6.775 27.683 9.064 1.00 0.00 C ATOM 383 O ASP A 25 7.445 27.425 10.065 1.00 0.00 O ATOM 384 CB ASP A 25 6.508 29.967 8.078 1.00 0.00 C ATOM 385 CG ASP A 25 7.320 31.152 7.593 1.00 0.00 C ATOM 386 OD1 ASP A 25 8.452 30.938 7.110 1.00 0.00 O ATOM 387 OD2 ASP A 25 6.824 32.293 7.697 1.00 0.00 O ATOM 0 H ASP A 25 6.544 28.562 6.051 1.00 0.00 H new ATOM 0 HA ASP A 25 8.343 28.858 8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.603 29.880 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.192 30.143 9.106 1.00 0.00 H new ATOM 392 N CYS A 26 5.580 27.148 8.836 1.00 0.00 N ATOM 393 CA CYS A 26 4.973 26.207 9.769 1.00 0.00 C ATOM 394 C CYS A 26 5.899 25.021 10.025 1.00 0.00 C ATOM 395 O CYS A 26 6.015 24.544 11.153 1.00 0.00 O ATOM 396 CB CYS A 26 3.631 25.712 9.225 1.00 0.00 C ATOM 397 SG CYS A 26 2.184 26.571 9.922 1.00 0.00 S ATOM 0 H CYS A 26 5.013 27.350 8.013 1.00 0.00 H new ATOM 0 HA CYS A 26 4.806 26.726 10.713 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.624 25.831 8.142 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.540 24.645 9.429 1.00 0.00 H new ATOM 402 N ASN A 27 6.555 24.551 8.969 1.00 0.00 N ATOM 403 CA ASN A 27 7.471 23.422 9.079 1.00 0.00 C ATOM 404 C ASN A 27 8.572 23.711 10.095 1.00 0.00 C ATOM 405 O ASN A 27 8.832 22.907 10.990 1.00 0.00 O ATOM 406 CB ASN A 27 8.090 23.105 7.716 1.00 0.00 C ATOM 407 CG ASN A 27 8.745 21.738 7.682 1.00 0.00 C ATOM 408 OD1 ASN A 27 8.092 20.730 7.413 1.00 0.00 O ATOM 409 ND2 ASN A 27 10.044 21.698 7.955 1.00 0.00 N ATOM 0 H ASN A 27 6.469 24.934 8.028 1.00 0.00 H new ATOM 0 HA ASN A 27 6.902 22.558 9.422 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.317 23.154 6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.831 23.866 7.471 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.540 20.807 7.947 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.546 22.559 8.173 1.00 0.00 H new ATOM 416 N ALA A 28 9.216 24.864 9.949 1.00 0.00 N ATOM 417 CA ALA A 28 10.287 25.261 10.855 1.00 0.00 C ATOM 418 C ALA A 28 9.762 25.457 12.273 1.00 0.00 C ATOM 419 O ALA A 28 10.468 25.200 13.248 1.00 0.00 O ATOM 420 CB ALA A 28 10.955 26.534 10.357 1.00 0.00 C ATOM 0 H ALA A 28 9.015 25.540 9.212 1.00 0.00 H new ATOM 0 HA ALA A 28 11.026 24.460 10.877 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.753 26.819 11.043 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.374 26.361 9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.218 27.335 10.305 1.00 0.00 H new ATOM 426 N ALA A 29 8.519 25.915 12.381 1.00 0.00 N ATOM 427 CA ALA A 29 7.900 26.144 13.681 1.00 0.00 C ATOM 428 C ALA A 29 7.855 24.859 14.502 1.00 0.00 C ATOM 429 O ALA A 29 8.152 24.864 15.697 1.00 0.00 O ATOM 430 CB ALA A 29 6.498 26.709 13.505 1.00 0.00 C ATOM 0 H ALA A 29 7.921 26.135 11.584 1.00 0.00 H new ATOM 0 HA ALA A 29 8.507 26.869 14.223 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.047 26.875 14.483 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.552 27.654 12.965 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.889 26.003 12.940 1.00 0.00 H new ATOM 436 N CYS A 30 7.481 23.761 13.854 1.00 0.00 N ATOM 437 CA CYS A 30 7.396 22.469 14.523 1.00 0.00 C ATOM 438 C CYS A 30 8.785 21.956 14.893 1.00 0.00 C ATOM 439 O CYS A 30 9.077 21.711 16.064 1.00 0.00 O ATOM 440 CB CYS A 30 6.686 21.452 13.627 1.00 0.00 C ATOM 441 SG CYS A 30 5.203 22.104 12.794 1.00 0.00 S ATOM 0 H CYS A 30 7.232 23.741 12.865 1.00 0.00 H new ATOM 0 HA CYS A 30 6.820 22.600 15.439 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.387 21.097 12.872 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.402 20.589 14.229 1.00 0.00 H new ATOM 446 N VAL A 31 9.638 21.795 13.886 1.00 0.00 N ATOM 447 CA VAL A 31 10.996 21.312 14.104 1.00 0.00 C ATOM 448 C VAL A 31 11.729 22.176 15.124 1.00 0.00 C ATOM 449 O VAL A 31 12.693 21.734 15.750 1.00 0.00 O ATOM 450 CB VAL A 31 11.802 21.291 12.792 1.00 0.00 C ATOM 451 CG1 VAL A 31 11.576 19.984 12.047 1.00 0.00 C ATOM 452 CG2 VAL A 31 11.431 22.482 11.921 1.00 0.00 C ATOM 0 H VAL A 31 9.412 21.992 12.911 1.00 0.00 H new ATOM 0 HA VAL A 31 10.912 20.295 14.486 1.00 0.00 H new ATOM 0 HB VAL A 31 12.862 21.364 13.035 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.154 19.988 11.123 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.895 19.149 12.671 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.517 19.877 11.813 1.00 0.00 H new ATOM 0 HG21 VAL A 31 12.010 22.452 10.998 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.368 22.442 11.684 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.649 23.406 12.456 1.00 0.00 H new ATOM 462 N LYS A 32 11.266 23.410 15.288 1.00 0.00 N ATOM 463 CA LYS A 32 11.875 24.338 16.233 1.00 0.00 C ATOM 464 C LYS A 32 11.145 24.309 17.572 1.00 0.00 C ATOM 465 O LYS A 32 11.702 24.686 18.601 1.00 0.00 O ATOM 466 CB LYS A 32 11.864 25.759 15.665 1.00 0.00 C ATOM 467 CG LYS A 32 12.749 26.727 16.431 1.00 0.00 C ATOM 468 CD LYS A 32 14.013 27.059 15.656 1.00 0.00 C ATOM 469 CE LYS A 32 13.958 28.464 15.075 1.00 0.00 C ATOM 470 NZ LYS A 32 15.199 28.804 14.326 1.00 0.00 N ATOM 0 H LYS A 32 10.469 23.791 14.778 1.00 0.00 H new ATOM 0 HA LYS A 32 12.907 24.026 16.395 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.189 25.728 14.625 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.841 26.135 15.668 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.195 27.643 16.636 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.015 26.293 17.395 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.878 26.970 16.313 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.148 26.336 14.851 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.098 28.549 14.410 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.811 29.184 15.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.122 29.769 13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.017 28.748 14.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.326 28.133 13.542 1.00 0.00 H new ATOM 484 N GLU A 33 9.894 23.857 17.549 1.00 0.00 N ATOM 485 CA GLU A 33 9.089 23.779 18.762 1.00 0.00 C ATOM 486 C GLU A 33 9.670 22.758 19.736 1.00 0.00 C ATOM 487 O GLU A 33 9.767 23.015 20.936 1.00 0.00 O ATOM 488 CB GLU A 33 7.645 23.407 18.418 1.00 0.00 C ATOM 489 CG GLU A 33 6.738 24.610 18.217 1.00 0.00 C ATOM 490 CD GLU A 33 5.508 24.568 19.103 1.00 0.00 C ATOM 491 OE1 GLU A 33 5.660 24.327 20.319 1.00 0.00 O ATOM 492 OE2 GLU A 33 4.393 24.776 18.579 1.00 0.00 O ATOM 0 H GLU A 33 9.417 23.540 16.705 1.00 0.00 H new ATOM 0 HA GLU A 33 9.101 24.759 19.240 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.641 22.803 17.510 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.239 22.786 19.216 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.299 25.522 18.423 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.428 24.656 17.173 1.00 0.00 H new ATOM 499 N SER A 34 10.055 21.600 19.210 1.00 0.00 N ATOM 500 CA SER A 34 10.622 20.538 20.033 1.00 0.00 C ATOM 501 C SER A 34 11.684 19.761 19.261 1.00 0.00 C ATOM 502 O SER A 34 12.100 20.168 18.177 1.00 0.00 O ATOM 503 CB SER A 34 9.521 19.587 20.507 1.00 0.00 C ATOM 504 OG SER A 34 9.590 19.385 21.908 1.00 0.00 O ATOM 0 H SER A 34 9.985 21.373 18.218 1.00 0.00 H new ATOM 0 HA SER A 34 11.093 20.998 20.902 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.545 19.995 20.243 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.616 18.630 19.993 1.00 0.00 H new ATOM 0 HG SER A 34 8.875 18.775 22.186 1.00 0.00 H new ATOM 510 N GLU A 35 12.117 18.639 19.828 1.00 0.00 N ATOM 511 CA GLU A 35 13.131 17.805 19.194 1.00 0.00 C ATOM 512 C GLU A 35 12.550 16.451 18.795 1.00 0.00 C ATOM 513 O GLU A 35 13.264 15.450 18.741 1.00 0.00 O ATOM 514 CB GLU A 35 14.321 17.605 20.134 1.00 0.00 C ATOM 515 CG GLU A 35 13.919 17.282 21.564 1.00 0.00 C ATOM 516 CD GLU A 35 14.842 16.270 22.214 1.00 0.00 C ATOM 517 OE1 GLU A 35 15.024 15.177 21.638 1.00 0.00 O ATOM 518 OE2 GLU A 35 15.383 16.571 23.299 1.00 0.00 O ATOM 0 H GLU A 35 11.781 18.287 20.725 1.00 0.00 H new ATOM 0 HA GLU A 35 13.472 18.315 18.293 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.945 16.798 19.750 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.931 18.508 20.132 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.918 18.199 22.153 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.899 16.897 21.573 1.00 0.00 H new ATOM 525 N SER A 36 11.251 16.430 18.518 1.00 0.00 N ATOM 526 CA SER A 36 10.572 15.199 18.129 1.00 0.00 C ATOM 527 C SER A 36 9.938 15.341 16.749 1.00 0.00 C ATOM 528 O SER A 36 9.886 14.384 15.976 1.00 0.00 O ATOM 529 CB SER A 36 9.502 14.834 19.160 1.00 0.00 C ATOM 530 OG SER A 36 9.735 13.547 19.703 1.00 0.00 O ATOM 0 H SER A 36 10.647 17.251 18.556 1.00 0.00 H new ATOM 0 HA SER A 36 11.314 14.401 18.088 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.496 15.574 19.960 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.518 14.862 18.693 1.00 0.00 H new ATOM 0 HG SER A 36 9.039 13.338 20.360 1.00 0.00 H new ATOM 536 N TYR A 37 9.458 16.542 16.447 1.00 0.00 N ATOM 537 CA TYR A 37 8.824 16.810 15.161 1.00 0.00 C ATOM 538 C TYR A 37 9.871 17.032 14.074 1.00 0.00 C ATOM 539 O TYR A 37 10.745 17.891 14.202 1.00 0.00 O ATOM 540 CB TYR A 37 7.912 18.034 15.263 1.00 0.00 C ATOM 541 CG TYR A 37 6.887 17.934 16.370 1.00 0.00 C ATOM 542 CD1 TYR A 37 5.675 17.286 16.165 1.00 0.00 C ATOM 543 CD2 TYR A 37 7.130 18.486 17.621 1.00 0.00 C ATOM 544 CE1 TYR A 37 4.735 17.193 17.173 1.00 0.00 C ATOM 545 CE2 TYR A 37 6.197 18.397 18.636 1.00 0.00 C ATOM 546 CZ TYR A 37 5.001 17.749 18.407 1.00 0.00 C ATOM 547 OH TYR A 37 4.068 17.658 19.414 1.00 0.00 O ATOM 0 H TYR A 37 9.496 17.345 17.075 1.00 0.00 H new ATOM 0 HA TYR A 37 8.225 15.940 14.892 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.525 18.921 15.425 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.396 18.173 14.313 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.464 16.847 15.201 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.065 18.994 17.804 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.797 16.688 16.996 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.403 18.832 19.603 1.00 0.00 H new ATOM 0 HH TYR A 37 4.411 18.100 20.219 1.00 0.00 H new ATOM 557 N THR A 38 9.777 16.252 13.002 1.00 0.00 N ATOM 558 CA THR A 38 10.715 16.361 11.891 1.00 0.00 C ATOM 559 C THR A 38 10.020 16.868 10.633 1.00 0.00 C ATOM 560 O THR A 38 10.420 16.540 9.516 1.00 0.00 O ATOM 561 CB THR A 38 11.383 15.008 11.586 1.00 0.00 C ATOM 562 OG1 THR A 38 12.519 15.203 10.736 1.00 0.00 O ATOM 563 CG2 THR A 38 10.401 14.058 10.916 1.00 0.00 C ATOM 0 H THR A 38 9.060 15.537 12.879 1.00 0.00 H new ATOM 0 HA THR A 38 11.481 17.076 12.192 1.00 0.00 H new ATOM 0 HB THR A 38 11.706 14.567 12.529 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.252 15.718 9.946 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.896 13.109 10.710 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.551 13.888 11.577 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.052 14.496 9.981 1.00 0.00 H new ATOM 571 N GLY A 39 8.977 17.671 10.820 1.00 0.00 N ATOM 572 CA GLY A 39 8.243 18.210 9.690 1.00 0.00 C ATOM 573 C GLY A 39 6.976 18.927 10.111 1.00 0.00 C ATOM 574 O GLY A 39 6.667 19.012 11.299 1.00 0.00 O ATOM 0 H GLY A 39 8.627 17.958 11.734 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.883 18.901 9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.989 17.400 9.006 1.00 0.00 H new ATOM 578 N GLY A 40 6.239 19.447 9.133 1.00 0.00 N ATOM 579 CA GLY A 40 5.008 20.155 9.429 1.00 0.00 C ATOM 580 C GLY A 40 4.648 21.165 8.356 1.00 0.00 C ATOM 581 O GLY A 40 5.527 21.760 7.733 1.00 0.00 O ATOM 0 H GLY A 40 6.473 19.390 8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.195 19.436 9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.108 20.666 10.386 1.00 0.00 H new ATOM 585 N PHE A 41 3.351 21.357 8.139 1.00 0.00 N ATOM 586 CA PHE A 41 2.877 22.299 7.132 1.00 0.00 C ATOM 587 C PHE A 41 1.650 23.057 7.631 1.00 0.00 C ATOM 588 O PHE A 41 1.065 22.708 8.657 1.00 0.00 O ATOM 589 CB PHE A 41 2.542 21.564 5.832 1.00 0.00 C ATOM 590 CG PHE A 41 1.969 20.193 6.050 1.00 0.00 C ATOM 591 CD1 PHE A 41 2.800 19.093 6.183 1.00 0.00 C ATOM 592 CD2 PHE A 41 0.598 20.004 6.121 1.00 0.00 C ATOM 593 CE1 PHE A 41 2.275 17.830 6.382 1.00 0.00 C ATOM 594 CE2 PHE A 41 0.067 18.744 6.321 1.00 0.00 C ATOM 595 CZ PHE A 41 0.907 17.656 6.452 1.00 0.00 C ATOM 0 H PHE A 41 2.610 20.873 8.646 1.00 0.00 H new ATOM 0 HA PHE A 41 3.674 23.018 6.940 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.831 22.160 5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.446 21.480 5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.871 19.224 6.131 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.063 20.852 6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.934 16.980 6.483 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.003 18.610 6.375 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.495 16.670 6.609 1.00 0.00 H new ATOM 605 N CYS A 42 1.265 24.096 6.898 1.00 0.00 N ATOM 606 CA CYS A 42 0.109 24.905 7.265 1.00 0.00 C ATOM 607 C CYS A 42 -1.014 24.745 6.244 1.00 0.00 C ATOM 608 O CYS A 42 -0.767 24.688 5.040 1.00 0.00 O ATOM 609 CB CYS A 42 0.505 26.378 7.376 1.00 0.00 C ATOM 610 SG CYS A 42 1.156 26.852 9.011 1.00 0.00 S ATOM 0 H CYS A 42 1.737 24.398 6.046 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.252 24.559 8.233 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.258 26.599 6.619 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.365 26.995 7.150 1.00 0.00 H new ATOM 615 N ASN A 43 -2.247 24.673 6.734 1.00 0.00 N ATOM 616 CA ASN A 43 -3.408 24.519 5.865 1.00 0.00 C ATOM 617 C ASN A 43 -4.519 25.484 6.264 1.00 0.00 C ATOM 618 O ASN A 43 -4.799 25.669 7.448 1.00 0.00 O ATOM 619 CB ASN A 43 -3.924 23.079 5.918 1.00 0.00 C ATOM 620 CG ASN A 43 -3.327 22.210 4.828 1.00 0.00 C ATOM 621 OD1 ASN A 43 -2.705 21.185 5.107 1.00 0.00 O ATOM 622 ND2 ASN A 43 -3.513 22.617 3.578 1.00 0.00 N ATOM 0 H ASN A 43 -2.468 24.719 7.729 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.100 24.750 4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.690 22.648 6.891 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.010 23.081 5.823 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.134 22.073 2.803 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.035 23.473 3.393 1.00 0.00 H new ATOM 629 N GLY A 44 -5.149 26.099 5.268 1.00 0.00 N ATOM 630 CA GLY A 44 -6.223 27.037 5.535 1.00 0.00 C ATOM 631 C GLY A 44 -7.593 26.396 5.433 1.00 0.00 C ATOM 632 O GLY A 44 -8.030 26.022 4.345 1.00 0.00 O ATOM 0 H GLY A 44 -4.934 25.964 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.095 27.456 6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.160 27.866 4.830 1.00 0.00 H new ATOM 636 N ARG A 45 -8.271 26.268 6.569 1.00 0.00 N ATOM 637 CA ARG A 45 -9.598 25.665 6.602 1.00 0.00 C ATOM 638 C ARG A 45 -10.501 26.393 7.593 1.00 0.00 C ATOM 639 O ARG A 45 -10.040 27.122 8.472 1.00 0.00 O ATOM 640 CB ARG A 45 -9.499 24.185 6.978 1.00 0.00 C ATOM 641 CG ARG A 45 -9.354 23.261 5.780 1.00 0.00 C ATOM 642 CD ARG A 45 -9.393 21.799 6.197 1.00 0.00 C ATOM 643 NE ARG A 45 -8.090 21.327 6.658 1.00 0.00 N ATOM 644 CZ ARG A 45 -7.895 20.138 7.218 1.00 0.00 C ATOM 645 NH1 ARG A 45 -8.914 19.305 7.385 1.00 0.00 N ATOM 646 NH2 ARG A 45 -6.680 19.780 7.612 1.00 0.00 N ATOM 0 H ARG A 45 -7.923 26.574 7.478 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.035 25.752 5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.645 24.043 7.641 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.389 23.901 7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.155 23.459 5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.414 23.470 5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.128 21.668 6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.722 21.190 5.355 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.286 21.944 6.544 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.850 19.577 7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.762 18.393 7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.894 20.418 7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.532 18.867 8.042 1.00 0.00 H new ATOM 660 N PRO A 46 -11.820 26.193 7.450 1.00 0.00 N ATOM 661 CA PRO A 46 -12.815 26.822 8.323 1.00 0.00 C ATOM 662 C PRO A 46 -12.784 26.257 9.739 1.00 0.00 C ATOM 663 O PRO A 46 -12.516 25.075 9.955 1.00 0.00 O ATOM 664 CB PRO A 46 -14.145 26.488 7.642 1.00 0.00 C ATOM 665 CG PRO A 46 -13.873 25.244 6.870 1.00 0.00 C ATOM 666 CD PRO A 46 -12.440 25.338 6.424 1.00 0.00 C ATOM 0 HA PRO A 46 -12.637 27.891 8.440 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.937 26.334 8.375 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.469 27.297 6.988 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -14.032 24.359 7.487 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.543 25.161 6.014 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.968 24.357 6.379 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.356 25.778 5.430 1.00 0.00 H new ATOM 674 N PRO A 47 -13.065 27.119 10.727 1.00 0.00 N ATOM 675 CA PRO A 47 -13.385 28.528 10.481 1.00 0.00 C ATOM 676 C PRO A 47 -12.175 29.322 10.001 1.00 0.00 C ATOM 677 O PRO A 47 -12.247 30.039 9.002 1.00 0.00 O ATOM 678 CB PRO A 47 -13.845 29.031 11.852 1.00 0.00 C ATOM 679 CG PRO A 47 -13.179 28.127 12.831 1.00 0.00 C ATOM 680 CD PRO A 47 -13.092 26.784 12.161 1.00 0.00 C ATOM 0 HA PRO A 47 -14.132 28.646 9.696 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -13.554 30.069 12.011 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -14.930 28.986 11.946 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -12.188 28.498 13.093 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -13.751 28.065 13.757 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.197 26.241 12.464 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.946 26.154 12.411 1.00 0.00 H new ATOM 688 N PHE A 48 -11.064 29.189 10.717 1.00 0.00 N ATOM 689 CA PHE A 48 -9.838 29.895 10.363 1.00 0.00 C ATOM 690 C PHE A 48 -8.707 28.911 10.078 1.00 0.00 C ATOM 691 O PHE A 48 -8.751 27.756 10.502 1.00 0.00 O ATOM 692 CB PHE A 48 -9.429 30.847 11.489 1.00 0.00 C ATOM 693 CG PHE A 48 -8.519 30.218 12.505 1.00 0.00 C ATOM 694 CD1 PHE A 48 -8.852 29.013 13.102 1.00 0.00 C ATOM 695 CD2 PHE A 48 -7.329 30.832 12.863 1.00 0.00 C ATOM 696 CE1 PHE A 48 -8.017 28.432 14.037 1.00 0.00 C ATOM 697 CE2 PHE A 48 -6.489 30.256 13.797 1.00 0.00 C ATOM 698 CZ PHE A 48 -6.833 29.054 14.384 1.00 0.00 C ATOM 0 H PHE A 48 -10.987 28.599 11.546 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.030 30.473 9.459 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.933 31.716 11.057 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.326 31.209 11.991 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.776 28.522 12.833 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.055 31.772 12.407 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.289 27.493 14.496 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.565 30.745 14.068 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.178 28.601 15.113 1.00 0.00 H new ATOM 708 N LYS A 49 -7.693 29.377 9.357 1.00 0.00 N ATOM 709 CA LYS A 49 -6.549 28.541 9.014 1.00 0.00 C ATOM 710 C LYS A 49 -5.887 27.983 10.270 1.00 0.00 C ATOM 711 O LYS A 49 -6.009 28.556 11.353 1.00 0.00 O ATOM 712 CB LYS A 49 -5.530 29.343 8.202 1.00 0.00 C ATOM 713 CG LYS A 49 -4.540 30.114 9.058 1.00 0.00 C ATOM 714 CD LYS A 49 -5.238 31.158 9.914 1.00 0.00 C ATOM 715 CE LYS A 49 -5.886 32.237 9.059 1.00 0.00 C ATOM 716 NZ LYS A 49 -6.568 33.268 9.890 1.00 0.00 N ATOM 0 H LYS A 49 -7.640 30.330 8.999 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.908 27.706 8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.981 28.663 7.550 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.062 30.043 7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.995 29.421 9.699 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.805 30.600 8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.997 30.676 10.531 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.518 31.614 10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.127 32.714 8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.608 31.780 8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.535 33.414 9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.605 32.948 10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.041 34.163 9.835 1.00 0.00 H new ATOM 730 N GLN A 50 -5.186 26.864 10.117 1.00 0.00 N ATOM 731 CA GLN A 50 -4.505 26.230 11.240 1.00 0.00 C ATOM 732 C GLN A 50 -3.183 25.613 10.796 1.00 0.00 C ATOM 733 O GLN A 50 -3.034 25.201 9.645 1.00 0.00 O ATOM 734 CB GLN A 50 -5.398 25.157 11.865 1.00 0.00 C ATOM 735 CG GLN A 50 -4.696 24.323 12.924 1.00 0.00 C ATOM 736 CD GLN A 50 -4.079 23.059 12.356 1.00 0.00 C ATOM 737 OE1 GLN A 50 -3.919 22.924 11.143 1.00 0.00 O ATOM 738 NE2 GLN A 50 -3.729 22.125 13.233 1.00 0.00 N ATOM 0 H GLN A 50 -5.075 26.378 9.227 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.295 26.997 11.985 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.270 25.636 12.311 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.764 24.497 11.078 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.918 24.922 13.396 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.410 24.056 13.703 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.880 22.279 14.230 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.309 21.253 12.910 1.00 0.00 H new ATOM 747 N CYS A 51 -2.226 25.552 11.716 1.00 0.00 N ATOM 748 CA CYS A 51 -0.916 24.986 11.420 1.00 0.00 C ATOM 749 C CYS A 51 -0.813 23.554 11.936 1.00 0.00 C ATOM 750 O CYS A 51 -1.220 23.256 13.059 1.00 0.00 O ATOM 751 CB CYS A 51 0.186 25.845 12.044 1.00 0.00 C ATOM 752 SG CYS A 51 1.875 25.325 11.600 1.00 0.00 S ATOM 0 H CYS A 51 -2.334 25.888 12.673 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.789 24.973 10.337 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.043 26.881 11.736 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.082 25.818 13.129 1.00 0.00 H new ATOM 757 N PHE A 52 -0.266 22.670 11.108 1.00 0.00 N ATOM 758 CA PHE A 52 -0.110 21.269 11.479 1.00 0.00 C ATOM 759 C PHE A 52 1.358 20.855 11.436 1.00 0.00 C ATOM 760 O PHE A 52 2.109 21.278 10.556 1.00 0.00 O ATOM 761 CB PHE A 52 -0.930 20.377 10.544 1.00 0.00 C ATOM 762 CG PHE A 52 -1.995 19.588 11.250 1.00 0.00 C ATOM 763 CD1 PHE A 52 -1.664 18.712 12.272 1.00 0.00 C ATOM 764 CD2 PHE A 52 -3.327 19.723 10.894 1.00 0.00 C ATOM 765 CE1 PHE A 52 -2.642 17.984 12.922 1.00 0.00 C ATOM 766 CE2 PHE A 52 -4.310 18.998 11.541 1.00 0.00 C ATOM 767 CZ PHE A 52 -3.967 18.128 12.558 1.00 0.00 C ATOM 0 H PHE A 52 0.077 22.900 10.175 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.474 21.147 12.499 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.396 20.998 9.779 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.259 19.688 10.031 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.630 18.597 12.563 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.601 20.403 10.101 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.371 17.302 13.715 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.344 19.111 11.252 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.733 17.562 13.067 1.00 0.00 H new ATOM 777 N CYS A 53 1.761 20.025 12.393 1.00 0.00 N ATOM 778 CA CYS A 53 3.139 19.554 12.467 1.00 0.00 C ATOM 779 C CYS A 53 3.215 18.054 12.198 1.00 0.00 C ATOM 780 O CYS A 53 2.278 17.310 12.489 1.00 0.00 O ATOM 781 CB CYS A 53 3.734 19.868 13.841 1.00 0.00 C ATOM 782 SG CYS A 53 3.731 21.640 14.265 1.00 0.00 S ATOM 0 H CYS A 53 1.152 19.665 13.128 1.00 0.00 H new ATOM 0 HA CYS A 53 3.716 20.073 11.702 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.174 19.323 14.601 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.759 19.499 13.874 1.00 0.00 H new ATOM 787 N THR A 54 4.340 17.615 11.641 1.00 0.00 N ATOM 788 CA THR A 54 4.539 16.205 11.332 1.00 0.00 C ATOM 789 C THR A 54 5.744 15.644 12.079 1.00 0.00 C ATOM 790 O THR A 54 6.769 16.312 12.217 1.00 0.00 O ATOM 791 CB THR A 54 4.738 15.984 9.820 1.00 0.00 C ATOM 792 OG1 THR A 54 6.068 16.355 9.442 1.00 0.00 O ATOM 793 CG2 THR A 54 3.732 16.795 9.018 1.00 0.00 C ATOM 0 H THR A 54 5.127 18.216 11.395 1.00 0.00 H new ATOM 0 HA THR A 54 3.639 15.680 11.653 1.00 0.00 H new ATOM 0 HB THR A 54 4.582 14.927 9.606 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.187 16.210 8.480 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.892 16.623 7.954 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.721 16.489 9.287 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.861 17.855 9.238 1.00 0.00 H new ATOM 801 N LYS A 55 5.616 14.411 12.558 1.00 0.00 N ATOM 802 CA LYS A 55 6.695 13.757 13.289 1.00 0.00 C ATOM 803 C LYS A 55 6.706 12.257 13.016 1.00 0.00 C ATOM 804 O LYS A 55 5.708 11.670 12.597 1.00 0.00 O ATOM 805 CB LYS A 55 6.548 14.013 14.791 1.00 0.00 C ATOM 806 CG LYS A 55 5.625 13.028 15.488 1.00 0.00 C ATOM 807 CD LYS A 55 5.386 13.418 16.937 1.00 0.00 C ATOM 808 CE LYS A 55 5.225 12.193 17.824 1.00 0.00 C ATOM 809 NZ LYS A 55 3.969 12.247 18.622 1.00 0.00 N ATOM 0 H LYS A 55 4.775 13.844 12.453 1.00 0.00 H new ATOM 0 HA LYS A 55 7.640 14.177 12.946 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.532 13.968 15.257 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.169 15.024 14.944 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.672 12.984 14.960 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.059 12.029 15.446 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.221 14.021 17.295 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.492 14.038 17.005 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.224 11.295 17.206 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.079 12.117 18.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.896 11.394 19.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.980 13.090 19.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.152 12.294 17.980 1.00 0.00 H new ATOM 823 N PRO A 56 7.860 11.619 13.261 1.00 0.00 N ATOM 824 CA PRO A 56 8.028 10.178 13.051 1.00 0.00 C ATOM 825 C PRO A 56 7.242 9.349 14.061 1.00 0.00 C ATOM 826 O PRO A 56 7.448 9.466 15.269 1.00 0.00 O ATOM 827 CB PRO A 56 9.532 9.964 13.238 1.00 0.00 C ATOM 828 CG PRO A 56 9.966 11.086 14.118 1.00 0.00 C ATOM 829 CD PRO A 56 9.090 12.255 13.762 1.00 0.00 C ATOM 0 HA PRO A 56 7.657 9.863 12.076 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.741 8.997 13.696 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.057 9.984 12.283 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.856 10.822 15.170 1.00 0.00 H new ATOM 0 HG3 PRO A 56 11.018 11.323 13.957 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.892 12.887 14.628 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.552 12.888 13.005 1.00 0.00 H new ATOM 837 N CYS A 57 6.341 8.511 13.559 1.00 0.00 N ATOM 838 CA CYS A 57 5.524 7.662 14.418 1.00 0.00 C ATOM 839 C CYS A 57 6.384 6.625 15.134 1.00 0.00 C ATOM 840 O CYS A 57 7.271 6.017 14.536 1.00 0.00 O ATOM 841 CB CYS A 57 4.440 6.962 13.595 1.00 0.00 C ATOM 842 SG CYS A 57 3.555 8.061 12.443 1.00 0.00 S ATOM 0 H CYS A 57 6.158 8.402 12.561 1.00 0.00 H new ATOM 0 HA CYS A 57 5.050 8.295 15.168 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.897 6.151 13.028 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.718 6.509 14.275 1.00 0.00 H new ATOM 847 N LYS A 58 6.114 6.428 16.420 1.00 0.00 N ATOM 848 CA LYS A 58 6.861 5.464 17.220 1.00 0.00 C ATOM 849 C LYS A 58 5.956 4.328 17.687 1.00 0.00 C ATOM 850 O LYS A 58 4.732 4.457 17.689 1.00 0.00 O ATOM 851 CB LYS A 58 7.494 6.156 18.430 1.00 0.00 C ATOM 852 CG LYS A 58 6.650 7.284 18.996 1.00 0.00 C ATOM 853 CD LYS A 58 7.048 8.627 18.407 1.00 0.00 C ATOM 854 CE LYS A 58 8.198 9.256 19.179 1.00 0.00 C ATOM 855 NZ LYS A 58 9.488 9.139 18.444 1.00 0.00 N ATOM 0 H LYS A 58 5.383 6.923 16.931 1.00 0.00 H new ATOM 0 HA LYS A 58 7.650 5.044 16.595 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.668 5.416 19.211 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.468 6.551 18.143 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.597 7.092 18.788 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.760 7.314 20.080 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.337 8.497 17.364 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.190 9.299 18.419 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.979 10.308 19.364 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.289 8.774 20.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.181 9.798 18.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.846 8.166 18.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.339 9.372 17.441 1.00 0.00 H new ATOM 869 N ARG A 59 6.567 3.216 18.083 1.00 0.00 N ATOM 870 CA ARG A 59 5.816 2.058 18.552 1.00 0.00 C ATOM 871 C ARG A 59 4.944 1.487 17.438 1.00 0.00 C ATOM 872 O ARG A 59 4.878 2.044 16.343 1.00 0.00 O ATOM 873 CB ARG A 59 4.946 2.439 19.751 1.00 0.00 C ATOM 874 CG ARG A 59 4.732 1.300 20.735 1.00 0.00 C ATOM 875 CD ARG A 59 4.477 1.820 22.141 1.00 0.00 C ATOM 876 NE ARG A 59 3.395 1.097 22.804 1.00 0.00 N ATOM 877 CZ ARG A 59 3.125 1.205 24.101 1.00 0.00 C ATOM 878 NH1 ARG A 59 3.854 2.003 24.869 1.00 0.00 N ATOM 879 NH2 ARG A 59 2.124 0.515 24.631 1.00 0.00 N ATOM 0 H ARG A 59 7.580 3.093 18.088 1.00 0.00 H new ATOM 0 HA ARG A 59 6.530 1.294 18.858 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.408 3.277 20.273 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.977 2.784 19.391 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.887 0.692 20.412 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.608 0.651 20.739 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.389 1.730 22.732 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.230 2.881 22.096 1.00 0.00 H new ATOM 0 HE ARG A 59 2.815 0.475 22.241 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.624 2.536 24.465 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.645 2.084 25.864 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.561 -0.099 24.043 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.918 0.599 25.626 1.00 0.00 H new ATOM 893 N GLU A 60 4.279 0.373 17.726 1.00 0.00 N ATOM 894 CA GLU A 60 3.412 -0.273 16.747 1.00 0.00 C ATOM 895 C GLU A 60 4.222 -0.789 15.560 1.00 0.00 C ATOM 896 O GLU A 60 5.452 -0.821 15.602 1.00 0.00 O ATOM 897 CB GLU A 60 2.339 0.703 16.260 1.00 0.00 C ATOM 898 CG GLU A 60 0.964 0.073 16.118 1.00 0.00 C ATOM 899 CD GLU A 60 -0.031 0.608 17.130 1.00 0.00 C ATOM 900 OE1 GLU A 60 -0.131 1.846 17.265 1.00 0.00 O ATOM 901 OE2 GLU A 60 -0.709 -0.209 17.786 1.00 0.00 O ATOM 0 H GLU A 60 4.324 -0.101 18.628 1.00 0.00 H new ATOM 0 HA GLU A 60 2.928 -1.121 17.232 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.276 1.539 16.957 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.643 1.113 15.297 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.587 0.256 15.112 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.050 -1.007 16.235 1.00 0.00 H new ATOM 908 N ARG A 61 3.522 -1.191 14.505 1.00 0.00 N ATOM 909 CA ARG A 61 4.175 -1.707 13.307 1.00 0.00 C ATOM 910 C ARG A 61 4.764 -3.092 13.563 1.00 0.00 C ATOM 911 O ARG A 61 4.262 -4.094 13.054 1.00 0.00 O ATOM 912 CB ARG A 61 5.276 -0.750 12.848 1.00 0.00 C ATOM 913 CG ARG A 61 5.094 -0.251 11.424 1.00 0.00 C ATOM 914 CD ARG A 61 6.410 -0.250 10.662 1.00 0.00 C ATOM 915 NE ARG A 61 6.478 -1.335 9.686 1.00 0.00 N ATOM 916 CZ ARG A 61 7.587 -1.672 9.038 1.00 0.00 C ATOM 917 NH1 ARG A 61 8.716 -1.013 9.261 1.00 0.00 N ATOM 918 NH2 ARG A 61 7.570 -2.672 8.165 1.00 0.00 N ATOM 0 H ARG A 61 2.503 -1.170 14.455 1.00 0.00 H new ATOM 0 HA ARG A 61 3.424 -1.789 12.521 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.307 0.106 13.523 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.240 -1.253 12.927 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.372 -0.882 10.905 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.681 0.758 11.441 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.533 0.705 10.151 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.237 -0.343 11.366 1.00 0.00 H new ATOM 0 HE ARG A 61 5.627 -1.863 9.492 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.734 -0.245 9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.566 -1.274 8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.704 -3.183 7.991 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.423 -2.930 7.668 1.00 0.00 H new ATOM 932 N ALA A 62 5.831 -3.138 14.353 1.00 0.00 N ATOM 933 CA ALA A 62 6.487 -4.399 14.677 1.00 0.00 C ATOM 934 C ALA A 62 5.482 -5.424 15.193 1.00 0.00 C ATOM 935 O ALA A 62 4.982 -5.308 16.311 1.00 0.00 O ATOM 936 CB ALA A 62 7.587 -4.173 15.704 1.00 0.00 C ATOM 0 H ALA A 62 6.260 -2.317 14.781 1.00 0.00 H new ATOM 0 HA ALA A 62 6.933 -4.793 13.764 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.068 -5.123 15.937 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.326 -3.481 15.299 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.156 -3.753 16.613 1.00 0.00 H new ATOM 942 N ALA A 63 5.192 -6.426 14.370 1.00 0.00 N ATOM 943 CA ALA A 63 4.248 -7.472 14.744 1.00 0.00 C ATOM 944 C ALA A 63 4.380 -8.684 13.828 1.00 0.00 C ATOM 945 O ALA A 63 5.231 -8.712 12.939 1.00 0.00 O ATOM 946 CB ALA A 63 2.825 -6.935 14.711 1.00 0.00 C ATOM 0 H ALA A 63 5.597 -6.536 13.440 1.00 0.00 H new ATOM 0 HA ALA A 63 4.481 -7.791 15.760 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.131 -7.727 14.992 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.733 -6.105 15.412 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.590 -6.587 13.705 1.00 0.00 H new ATOM 952 N ALA A 64 3.533 -9.684 14.051 1.00 0.00 N ATOM 953 CA ALA A 64 3.555 -10.898 13.245 1.00 0.00 C ATOM 954 C ALA A 64 2.313 -10.995 12.365 1.00 0.00 C ATOM 955 O ALA A 64 1.225 -11.319 12.841 1.00 0.00 O ATOM 956 CB ALA A 64 3.667 -12.124 14.139 1.00 0.00 C ATOM 0 H ALA A 64 2.823 -9.677 14.783 1.00 0.00 H new ATOM 0 HA ALA A 64 4.428 -10.856 12.594 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.682 -13.023 13.523 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.587 -12.067 14.721 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.812 -12.161 14.814 1.00 0.00 H new ATOM 962 N THR A 65 2.482 -10.711 11.077 1.00 0.00 N ATOM 963 CA THR A 65 1.375 -10.764 10.131 1.00 0.00 C ATOM 964 C THR A 65 1.850 -10.472 8.712 1.00 0.00 C ATOM 965 O THR A 65 2.947 -9.951 8.508 1.00 0.00 O ATOM 966 CB THR A 65 0.267 -9.761 10.505 1.00 0.00 C ATOM 967 OG1 THR A 65 0.753 -8.839 11.488 1.00 0.00 O ATOM 968 CG2 THR A 65 -0.958 -10.485 11.043 1.00 0.00 C ATOM 0 H THR A 65 3.376 -10.442 10.666 1.00 0.00 H new ATOM 0 HA THR A 65 0.970 -11.775 10.176 1.00 0.00 H new ATOM 0 HB THR A 65 -0.019 -9.216 9.606 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.044 -8.204 11.720 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.727 -9.757 11.300 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.342 -11.165 10.282 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.684 -11.053 11.932 1.00 0.00 H new ATOM 976 N LEU A 66 1.018 -10.810 7.733 1.00 0.00 N ATOM 977 CA LEU A 66 1.352 -10.584 6.332 1.00 0.00 C ATOM 978 C LEU A 66 0.091 -10.460 5.484 1.00 0.00 C ATOM 979 O LEU A 66 -1.025 -10.511 6.002 1.00 0.00 O ATOM 980 CB LEU A 66 2.225 -11.724 5.805 1.00 0.00 C ATOM 981 CG LEU A 66 3.309 -11.331 4.800 1.00 0.00 C ATOM 982 CD1 LEU A 66 4.666 -11.252 5.483 1.00 0.00 C ATOM 983 CD2 LEU A 66 3.349 -12.320 3.644 1.00 0.00 C ATOM 0 H LEU A 66 0.106 -11.242 7.884 1.00 0.00 H new ATOM 0 HA LEU A 66 1.907 -9.648 6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.705 -12.210 6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.577 -12.465 5.338 1.00 0.00 H new ATOM 0 HG LEU A 66 3.067 -10.346 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.425 -10.971 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.631 -10.505 6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.915 -12.223 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.126 -12.024 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.566 -13.318 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.384 -12.327 3.138 1.00 0.00 H new ATOM 995 N ARG A 67 0.275 -10.299 4.177 1.00 0.00 N ATOM 996 CA ARG A 67 -0.848 -10.169 3.257 1.00 0.00 C ATOM 997 C ARG A 67 -0.570 -10.909 1.952 1.00 0.00 C ATOM 998 O ARG A 67 0.463 -11.562 1.805 1.00 0.00 O ATOM 999 CB ARG A 67 -1.131 -8.694 2.969 1.00 0.00 C ATOM 1000 CG ARG A 67 -1.623 -7.920 4.182 1.00 0.00 C ATOM 1001 CD ARG A 67 -3.126 -8.062 4.361 1.00 0.00 C ATOM 1002 NE ARG A 67 -3.590 -7.444 5.600 1.00 0.00 N ATOM 1003 CZ ARG A 67 -3.725 -6.132 5.762 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -3.433 -5.305 4.767 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -4.153 -5.646 6.919 1.00 0.00 N ATOM 0 H ARG A 67 1.192 -10.256 3.732 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.724 -10.615 3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.222 -8.225 2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.876 -8.624 2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.113 -8.280 5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.367 -6.866 4.071 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.637 -7.604 3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.393 -9.119 4.361 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.823 -8.053 6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.104 -5.676 3.875 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.537 -4.298 4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.379 -6.279 7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.256 -4.639 7.042 1.00 0.00 H new ATOM 1019 N TRP A 68 -1.499 -10.803 1.009 1.00 0.00 N ATOM 1020 CA TRP A 68 -1.354 -11.462 -0.284 1.00 0.00 C ATOM 1021 C TRP A 68 -1.777 -10.536 -1.418 1.00 0.00 C ATOM 1022 O TRP A 68 -2.834 -10.704 -2.028 1.00 0.00 O ATOM 1023 CB TRP A 68 -2.184 -12.746 -0.321 1.00 0.00 C ATOM 1024 CG TRP A 68 -1.919 -13.658 0.838 1.00 0.00 C ATOM 1025 CD1 TRP A 68 -1.165 -14.797 0.829 1.00 0.00 C ATOM 1026 CD2 TRP A 68 -2.408 -13.510 2.176 1.00 0.00 C ATOM 1027 NE1 TRP A 68 -1.156 -15.365 2.081 1.00 0.00 N ATOM 1028 CE2 TRP A 68 -1.910 -14.594 2.925 1.00 0.00 C ATOM 1029 CE3 TRP A 68 -3.217 -12.565 2.814 1.00 0.00 C ATOM 1030 CZ2 TRP A 68 -2.197 -14.758 4.277 1.00 0.00 C ATOM 1031 CZ3 TRP A 68 -3.500 -12.729 4.156 1.00 0.00 C ATOM 1032 CH2 TRP A 68 -2.991 -13.818 4.877 1.00 0.00 C ATOM 0 H TRP A 68 -2.360 -10.267 1.115 1.00 0.00 H new ATOM 0 HA TRP A 68 -0.302 -11.714 -0.419 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.242 -12.486 -0.335 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.975 -13.279 -1.249 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -0.651 -15.193 -0.035 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.667 -16.222 2.339 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.613 -11.722 2.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -1.807 -15.598 4.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -4.125 -12.005 4.659 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -3.230 -13.917 5.926 1.00 0.00 H new ATOM 1043 N PRO A 69 -0.936 -9.533 -1.711 1.00 0.00 N ATOM 1044 CA PRO A 69 -1.202 -8.561 -2.775 1.00 0.00 C ATOM 1045 C PRO A 69 -1.103 -9.180 -4.165 1.00 0.00 C ATOM 1046 O PRO A 69 -1.777 -8.746 -5.098 1.00 0.00 O ATOM 1047 CB PRO A 69 -0.106 -7.510 -2.578 1.00 0.00 C ATOM 1048 CG PRO A 69 1.001 -8.241 -1.899 1.00 0.00 C ATOM 1049 CD PRO A 69 0.342 -9.273 -1.026 1.00 0.00 C ATOM 0 HA PRO A 69 -2.213 -8.159 -2.715 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.220 -7.094 -3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.461 -6.677 -1.972 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.663 -8.711 -2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.612 -7.560 -1.306 1.00 0.00 H new ATOM 0 HD2 PRO A 69 0.946 -10.177 -0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.187 -8.902 -0.013 1.00 0.00 H new ATOM 1057 N GLY A 70 -0.258 -10.198 -4.295 1.00 0.00 N ATOM 1058 CA GLY A 70 -0.087 -10.861 -5.575 1.00 0.00 C ATOM 1059 C GLY A 70 -1.285 -11.708 -5.954 1.00 0.00 C ATOM 1060 O GLY A 70 -1.754 -12.525 -5.161 1.00 0.00 O ATOM 0 H GLY A 70 0.311 -10.575 -3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.084 -10.112 -6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.802 -11.490 -5.539 1.00 0.00 H new ATOM 1064 N LEU A 71 -1.785 -11.512 -7.169 1.00 0.00 N ATOM 1065 CA LEU A 71 -2.939 -12.264 -7.652 1.00 0.00 C ATOM 1066 C LEU A 71 -2.502 -13.570 -8.309 1.00 0.00 C ATOM 1067 O LEU A 71 -3.334 -14.390 -8.696 1.00 0.00 O ATOM 1068 CB LEU A 71 -3.739 -11.422 -8.648 1.00 0.00 C ATOM 1069 CG LEU A 71 -3.179 -11.349 -10.068 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -3.967 -12.254 -11.001 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -3.195 -9.914 -10.575 1.00 0.00 C ATOM 0 H LEU A 71 -1.410 -10.839 -7.838 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.571 -12.503 -6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.752 -11.821 -8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.815 -10.408 -8.257 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.146 -11.695 -10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.553 -12.188 -12.007 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.903 -13.284 -10.649 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.011 -11.940 -11.017 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.793 -9.881 -11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.219 -9.541 -10.579 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.585 -9.290 -9.922 1.00 0.00 H new TER 1083 LEU A 71