USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 301 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.099) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 6 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00495) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0941) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 47:sc= 0.372 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 172:sc= -0.376 (180deg=-0.509) USER MOD Single : A 35 LYS NZ :NH3+ -151:sc= 0.993 (180deg=-1.07!) USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= 0.1 (180deg=0.0889) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 2 30.554 -43.663 11.028 1.00 0.00 N ATOM 25 CA LYS A 2 31.623 -42.746 11.449 1.00 0.00 C ATOM 26 C LYS A 2 32.975 -43.472 11.470 1.00 0.00 C ATOM 27 O LYS A 2 33.780 -43.320 10.551 1.00 0.00 O ATOM 28 CB LYS A 2 31.289 -42.134 12.821 1.00 0.00 C ATOM 29 CG LYS A 2 30.048 -41.232 12.829 1.00 0.00 C ATOM 30 CD LYS A 2 30.241 -39.956 12.002 1.00 0.00 C ATOM 31 CE LYS A 2 29.045 -39.015 12.168 1.00 0.00 C ATOM 32 NZ LYS A 2 29.252 -37.793 11.373 1.00 0.00 N ATOM 0 HA LYS A 2 31.697 -41.932 10.728 1.00 0.00 H new ATOM 0 HB2 LYS A 2 31.141 -42.941 13.539 1.00 0.00 H new ATOM 0 HB3 LYS A 2 32.146 -41.555 13.165 1.00 0.00 H new ATOM 0 HG2 LYS A 2 29.196 -41.789 12.438 1.00 0.00 H new ATOM 0 HG3 LYS A 2 29.807 -40.961 13.857 1.00 0.00 H new ATOM 0 HD2 LYS A 2 31.154 -39.449 12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 2 30.363 -40.214 10.950 1.00 0.00 H new ATOM 0 HE2 LYS A 2 28.131 -39.516 11.849 1.00 0.00 H new ATOM 0 HE3 LYS A 2 28.917 -38.758 13.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 28.436 -37.160 11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 30.115 -37.310 11.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 29.352 -38.045 10.369 1.00 0.00 H new ATOM 46 N GLN A 3 33.257 -44.232 12.523 1.00 0.00 N ATOM 47 CA GLN A 3 34.604 -44.797 12.681 1.00 0.00 C ATOM 48 C GLN A 3 34.854 -46.027 11.800 1.00 0.00 C ATOM 49 O GLN A 3 35.860 -46.102 11.095 1.00 0.00 O ATOM 50 CB GLN A 3 34.829 -45.135 14.157 1.00 0.00 C ATOM 51 CG GLN A 3 36.308 -45.378 14.478 1.00 0.00 C ATOM 52 CD GLN A 3 37.141 -44.105 14.371 1.00 0.00 C ATOM 53 OE1 GLN A 3 37.232 -43.312 15.306 1.00 0.00 O ATOM 54 NE2 GLN A 3 37.764 -43.888 13.229 1.00 0.00 N ATOM 0 H GLN A 3 32.597 -44.470 13.263 1.00 0.00 H new ATOM 0 HA GLN A 3 35.319 -44.045 12.348 1.00 0.00 H new ATOM 0 HB2 GLN A 3 34.454 -44.320 14.776 1.00 0.00 H new ATOM 0 HB3 GLN A 3 34.252 -46.023 14.416 1.00 0.00 H new ATOM 0 HG2 GLN A 3 36.397 -45.784 15.486 1.00 0.00 H new ATOM 0 HG3 GLN A 3 36.707 -46.129 13.796 1.00 0.00 H new ATOM 0 HE21 GLN A 3 37.676 -44.558 12.465 1.00 0.00 H new ATOM 0 HE22 GLN A 3 38.334 -43.050 13.110 1.00 0.00 H new ATOM 63 N CYS A 4 33.963 -47.012 11.861 1.00 0.00 N ATOM 64 CA CYS A 4 34.188 -48.260 11.119 1.00 0.00 C ATOM 65 C CYS A 4 34.160 -48.064 9.596 1.00 0.00 C ATOM 66 O CYS A 4 34.849 -48.768 8.859 1.00 0.00 O ATOM 67 CB CYS A 4 33.140 -49.278 11.583 1.00 0.00 C ATOM 68 SG CYS A 4 33.249 -50.811 10.637 1.00 0.00 S ATOM 0 H CYS A 4 33.098 -46.979 12.400 1.00 0.00 H new ATOM 0 HA CYS A 4 35.191 -48.627 11.335 1.00 0.00 H new ATOM 0 HB2 CYS A 4 33.282 -49.491 12.642 1.00 0.00 H new ATOM 0 HB3 CYS A 4 32.143 -48.851 11.474 1.00 0.00 H new ATOM 73 N HIS A 5 33.394 -47.094 9.111 1.00 0.00 N ATOM 74 CA HIS A 5 33.399 -46.804 7.669 1.00 0.00 C ATOM 75 C HIS A 5 34.655 -46.036 7.226 1.00 0.00 C ATOM 76 O HIS A 5 35.132 -46.204 6.104 1.00 0.00 O ATOM 77 CB HIS A 5 32.129 -46.009 7.348 1.00 0.00 C ATOM 78 CG HIS A 5 31.846 -45.946 5.863 1.00 0.00 C ATOM 79 ND1 HIS A 5 31.824 -44.783 5.115 1.00 0.00 N ATOM 80 CD2 HIS A 5 31.528 -47.053 5.063 1.00 0.00 C ATOM 81 CE1 HIS A 5 31.488 -45.298 3.891 1.00 0.00 C ATOM 82 NE2 HIS A 5 31.294 -46.649 3.758 1.00 0.00 N ATOM 0 H HIS A 5 32.776 -46.506 9.670 1.00 0.00 H new ATOM 0 HA HIS A 5 33.416 -47.744 7.117 1.00 0.00 H new ATOM 0 HB2 HIS A 5 31.280 -46.465 7.858 1.00 0.00 H new ATOM 0 HB3 HIS A 5 32.229 -44.996 7.739 1.00 0.00 H new ATOM 0 HD2 HIS A 5 31.473 -48.073 5.413 1.00 0.00 H new ATOM 0 HE1 HIS A 5 31.377 -44.645 3.038 1.00 0.00 H new ATOM 0 HE2 HIS A 5 31.048 -47.199 2.935 1.00 0.00 H new ATOM 91 N LYS A 6 35.193 -45.187 8.097 1.00 0.00 N ATOM 92 CA LYS A 6 36.397 -44.418 7.750 1.00 0.00 C ATOM 93 C LYS A 6 37.637 -45.315 7.620 1.00 0.00 C ATOM 94 O LYS A 6 38.405 -45.192 6.666 1.00 0.00 O ATOM 95 CB LYS A 6 36.576 -43.352 8.838 1.00 0.00 C ATOM 96 CG LYS A 6 37.662 -42.327 8.504 1.00 0.00 C ATOM 97 CD LYS A 6 37.698 -41.236 9.580 1.00 0.00 C ATOM 98 CE LYS A 6 38.618 -40.071 9.208 1.00 0.00 C ATOM 99 NZ LYS A 6 40.023 -40.507 9.120 1.00 0.00 N ATOM 0 H LYS A 6 34.827 -45.012 9.033 1.00 0.00 H new ATOM 0 HA LYS A 6 36.278 -43.950 6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 6 35.629 -42.833 8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 6 36.824 -43.841 9.780 1.00 0.00 H new ATOM 0 HG2 LYS A 6 38.632 -42.820 8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 6 37.466 -41.882 7.529 1.00 0.00 H new ATOM 0 HD2 LYS A 6 36.688 -40.859 9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 6 38.032 -41.671 10.522 1.00 0.00 H new ATOM 0 HE2 LYS A 6 38.305 -39.648 8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 6 38.526 -39.280 9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 40.627 -39.690 8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 40.316 -40.919 10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 40.119 -41.220 8.369 1.00 0.00 H new ATOM 113 N LYS A 7 37.839 -46.229 8.565 1.00 0.00 N ATOM 114 CA LYS A 7 38.966 -47.168 8.455 1.00 0.00 C ATOM 115 C LYS A 7 38.682 -48.319 7.476 1.00 0.00 C ATOM 116 O LYS A 7 39.604 -48.861 6.864 1.00 0.00 O ATOM 117 CB LYS A 7 39.305 -47.712 9.846 1.00 0.00 C ATOM 118 CG LYS A 7 39.828 -46.599 10.760 1.00 0.00 C ATOM 119 CD LYS A 7 40.318 -47.167 12.093 1.00 0.00 C ATOM 120 CE LYS A 7 40.879 -46.077 13.010 1.00 0.00 C ATOM 121 NZ LYS A 7 42.142 -45.541 12.469 1.00 0.00 N ATOM 0 H LYS A 7 37.259 -46.344 9.396 1.00 0.00 H new ATOM 0 HA LYS A 7 39.819 -46.624 8.050 1.00 0.00 H new ATOM 0 HB2 LYS A 7 38.418 -48.164 10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 7 40.055 -48.499 9.760 1.00 0.00 H new ATOM 0 HG2 LYS A 7 40.642 -46.070 10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 7 39.038 -45.870 10.940 1.00 0.00 H new ATOM 0 HD2 LYS A 7 39.495 -47.675 12.595 1.00 0.00 H new ATOM 0 HD3 LYS A 7 41.088 -47.916 11.907 1.00 0.00 H new ATOM 0 HE2 LYS A 7 40.151 -45.272 13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 7 41.048 -46.485 14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 42.593 -44.930 13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 42.780 -46.328 12.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 41.945 -44.987 11.612 1.00 0.00 H new ATOM 135 N GLY A 8 37.418 -48.695 7.310 1.00 0.00 N ATOM 136 CA GLY A 8 37.072 -49.696 6.293 1.00 0.00 C ATOM 137 C GLY A 8 36.806 -51.070 6.898 1.00 0.00 C ATOM 138 O GLY A 8 37.474 -52.050 6.568 1.00 0.00 O ATOM 0 H GLY A 8 36.630 -48.336 7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 8 36.189 -49.365 5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 8 37.884 -49.771 5.570 1.00 0.00 H new ATOM 142 N GLY A 9 35.807 -51.150 7.764 1.00 0.00 N ATOM 143 CA GLY A 9 35.427 -52.443 8.340 1.00 0.00 C ATOM 144 C GLY A 9 33.954 -52.731 8.068 1.00 0.00 C ATOM 145 O GLY A 9 33.146 -51.829 7.844 1.00 0.00 O ATOM 0 H GLY A 9 35.251 -50.356 8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 9 36.044 -53.234 7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 9 35.611 -52.439 9.414 1.00 0.00 H new ATOM 149 N HIS A 10 33.596 -54.006 8.099 1.00 0.00 N ATOM 150 CA HIS A 10 32.192 -54.380 7.887 1.00 0.00 C ATOM 151 C HIS A 10 31.602 -54.826 9.225 1.00 0.00 C ATOM 152 O HIS A 10 32.252 -55.515 10.012 1.00 0.00 O ATOM 153 CB HIS A 10 32.116 -55.522 6.866 1.00 0.00 C ATOM 154 CG HIS A 10 32.634 -55.116 5.503 1.00 0.00 C ATOM 155 ND1 HIS A 10 31.853 -54.575 4.498 1.00 0.00 N ATOM 156 CD2 HIS A 10 33.973 -55.210 5.087 1.00 0.00 C ATOM 157 CE1 HIS A 10 32.809 -54.379 3.535 1.00 0.00 C ATOM 158 NE2 HIS A 10 34.107 -54.729 3.797 1.00 0.00 N ATOM 0 H HIS A 10 34.233 -54.786 8.264 1.00 0.00 H new ATOM 0 HA HIS A 10 31.626 -53.531 7.503 1.00 0.00 H new ATOM 0 HB2 HIS A 10 32.693 -56.371 7.232 1.00 0.00 H new ATOM 0 HB3 HIS A 10 31.082 -55.855 6.774 1.00 0.00 H new ATOM 0 HD2 HIS A 10 34.781 -55.601 5.688 1.00 0.00 H new ATOM 0 HE1 HIS A 10 32.541 -53.953 2.579 1.00 0.00 H new ATOM 0 HE2 HIS A 10 34.937 -54.656 3.208 1.00 0.00 H new ATOM 167 N CYS A 11 30.361 -54.440 9.491 1.00 0.00 N ATOM 168 CA CYS A 11 29.748 -54.778 10.781 1.00 0.00 C ATOM 169 C CYS A 11 29.255 -56.228 10.794 1.00 0.00 C ATOM 170 O CYS A 11 28.525 -56.670 9.906 1.00 0.00 O ATOM 171 CB CYS A 11 28.552 -53.855 11.030 1.00 0.00 C ATOM 172 SG CYS A 11 29.082 -52.204 11.517 1.00 0.00 S ATOM 0 H CYS A 11 29.768 -53.907 8.855 1.00 0.00 H new ATOM 0 HA CYS A 11 30.501 -54.653 11.559 1.00 0.00 H new ATOM 0 HB2 CYS A 11 27.946 -53.792 10.126 1.00 0.00 H new ATOM 0 HB3 CYS A 11 27.919 -54.280 11.809 1.00 0.00 H new ATOM 177 N PHE A 12 29.634 -56.962 11.834 1.00 0.00 N ATOM 178 CA PHE A 12 29.118 -58.326 12.009 1.00 0.00 C ATOM 179 C PHE A 12 28.861 -58.574 13.505 1.00 0.00 C ATOM 180 O PHE A 12 29.447 -57.906 14.358 1.00 0.00 O ATOM 181 CB PHE A 12 30.144 -59.362 11.530 1.00 0.00 C ATOM 182 CG PHE A 12 30.546 -59.227 10.073 1.00 0.00 C ATOM 183 CD1 PHE A 12 29.751 -59.710 9.089 1.00 0.00 C ATOM 184 CD2 PHE A 12 31.738 -58.664 9.760 1.00 0.00 C ATOM 185 CE1 PHE A 12 30.141 -59.620 7.796 1.00 0.00 C ATOM 186 CE2 PHE A 12 32.134 -58.588 8.470 1.00 0.00 C ATOM 187 CZ PHE A 12 31.333 -59.059 7.487 1.00 0.00 C ATOM 0 H PHE A 12 30.282 -56.650 12.557 1.00 0.00 H new ATOM 0 HA PHE A 12 28.202 -58.425 11.427 1.00 0.00 H new ATOM 0 HB2 PHE A 12 31.038 -59.282 12.149 1.00 0.00 H new ATOM 0 HB3 PHE A 12 29.735 -60.360 11.689 1.00 0.00 H new ATOM 0 HD1 PHE A 12 28.805 -60.168 9.336 1.00 0.00 H new ATOM 0 HD2 PHE A 12 32.373 -58.275 10.543 1.00 0.00 H new ATOM 0 HE1 PHE A 12 29.501 -59.996 7.011 1.00 0.00 H new ATOM 0 HE2 PHE A 12 33.090 -58.151 8.224 1.00 0.00 H new ATOM 0 HZ PHE A 12 31.645 -58.987 6.455 1.00 0.00 H new ATOM 197 N PRO A 13 28.035 -59.553 13.878 1.00 0.00 N ATOM 198 CA PRO A 13 27.812 -59.878 15.291 1.00 0.00 C ATOM 199 C PRO A 13 29.082 -60.371 15.993 1.00 0.00 C ATOM 200 O PRO A 13 29.906 -61.077 15.411 1.00 0.00 O ATOM 201 CB PRO A 13 26.757 -60.985 15.204 1.00 0.00 C ATOM 202 CG PRO A 13 26.087 -60.794 13.844 1.00 0.00 C ATOM 203 CD PRO A 13 27.204 -60.296 12.933 1.00 0.00 C ATOM 0 HA PRO A 13 27.506 -59.014 15.881 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.214 -61.971 15.283 1.00 0.00 H new ATOM 0 HB3 PRO A 13 26.033 -60.903 16.015 1.00 0.00 H new ATOM 0 HG2 PRO A 13 25.662 -61.728 13.476 1.00 0.00 H new ATOM 0 HG3 PRO A 13 25.271 -60.074 13.901 1.00 0.00 H new ATOM 0 HD2 PRO A 13 27.748 -61.116 12.464 1.00 0.00 H new ATOM 0 HD3 PRO A 13 26.828 -59.662 12.130 1.00 0.00 H new ATOM 211 N LYS A 14 29.238 -60.009 17.260 1.00 0.00 N ATOM 212 CA LYS A 14 30.407 -60.473 18.020 1.00 0.00 C ATOM 213 C LYS A 14 30.281 -61.951 18.394 1.00 0.00 C ATOM 214 O LYS A 14 31.174 -62.751 18.114 1.00 0.00 O ATOM 215 CB LYS A 14 30.534 -59.611 19.281 1.00 0.00 C ATOM 216 CG LYS A 14 31.655 -60.079 20.213 1.00 0.00 C ATOM 217 CD LYS A 14 31.789 -59.148 21.418 1.00 0.00 C ATOM 218 CE LYS A 14 32.832 -59.697 22.391 1.00 0.00 C ATOM 219 NZ LYS A 14 32.981 -58.795 23.547 1.00 0.00 N ATOM 0 H LYS A 14 28.593 -59.412 17.778 1.00 0.00 H new ATOM 0 HA LYS A 14 31.300 -60.374 17.402 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.718 -58.577 18.991 1.00 0.00 H new ATOM 0 HB3 LYS A 14 29.588 -59.627 19.822 1.00 0.00 H new ATOM 0 HG2 LYS A 14 31.450 -61.094 20.554 1.00 0.00 H new ATOM 0 HG3 LYS A 14 32.598 -60.111 19.667 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.078 -58.151 21.087 1.00 0.00 H new ATOM 0 HD3 LYS A 14 30.827 -59.050 21.921 1.00 0.00 H new ATOM 0 HE2 LYS A 14 32.535 -60.689 22.731 1.00 0.00 H new ATOM 0 HE3 LYS A 14 33.790 -59.808 21.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 33.693 -59.181 24.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 33.286 -57.857 23.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 32.070 -58.710 24.041 1.00 0.00 H new ATOM 233 N GLU A 15 29.189 -62.308 19.058 1.00 0.00 N ATOM 234 CA GLU A 15 29.029 -63.691 19.527 1.00 0.00 C ATOM 235 C GLU A 15 29.017 -64.723 18.389 1.00 0.00 C ATOM 236 O GLU A 15 29.463 -65.857 18.564 1.00 0.00 O ATOM 237 CB GLU A 15 27.774 -63.785 20.406 1.00 0.00 C ATOM 238 CG GLU A 15 26.471 -63.404 19.693 1.00 0.00 C ATOM 239 CD GLU A 15 25.294 -63.420 20.657 1.00 0.00 C ATOM 240 OE1 GLU A 15 24.738 -64.510 20.911 1.00 0.00 O ATOM 241 OE2 GLU A 15 24.915 -62.341 21.165 1.00 0.00 O ATOM 0 H GLU A 15 28.415 -61.682 19.283 1.00 0.00 H new ATOM 0 HA GLU A 15 29.905 -63.946 20.123 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.684 -64.804 20.781 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.903 -63.136 21.273 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.571 -62.412 19.252 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.284 -64.099 18.874 1.00 0.00 H new ATOM 248 N LYS A 16 28.535 -64.334 17.214 1.00 0.00 N ATOM 249 CA LYS A 16 28.605 -65.234 16.054 1.00 0.00 C ATOM 250 C LYS A 16 29.888 -64.961 15.255 1.00 0.00 C ATOM 251 O LYS A 16 30.614 -63.996 15.492 1.00 0.00 O ATOM 252 CB LYS A 16 27.357 -65.052 15.177 1.00 0.00 C ATOM 253 CG LYS A 16 26.033 -65.174 15.947 1.00 0.00 C ATOM 254 CD LYS A 16 25.849 -66.517 16.660 1.00 0.00 C ATOM 255 CE LYS A 16 25.662 -67.670 15.671 1.00 0.00 C ATOM 256 NZ LYS A 16 25.409 -68.921 16.408 1.00 0.00 N ATOM 0 H LYS A 16 28.102 -63.428 17.034 1.00 0.00 H new ATOM 0 HA LYS A 16 28.633 -66.268 16.398 1.00 0.00 H new ATOM 0 HB2 LYS A 16 27.400 -64.073 14.700 1.00 0.00 H new ATOM 0 HB3 LYS A 16 27.373 -65.796 14.380 1.00 0.00 H new ATOM 0 HG2 LYS A 16 25.978 -64.373 16.684 1.00 0.00 H new ATOM 0 HG3 LYS A 16 25.206 -65.026 15.253 1.00 0.00 H new ATOM 0 HD2 LYS A 16 26.717 -66.716 17.289 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.983 -66.461 17.320 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.829 -67.456 15.002 1.00 0.00 H new ATOM 0 HE3 LYS A 16 26.551 -67.776 15.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 25.282 -69.702 15.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 26.217 -69.128 17.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.548 -68.817 16.983 1.00 0.00 H new ATOM 270 N ILE A 17 30.188 -65.838 14.306 1.00 0.00 N ATOM 271 CA ILE A 17 31.479 -65.760 13.603 1.00 0.00 C ATOM 272 C ILE A 17 31.495 -64.600 12.601 1.00 0.00 C ATOM 273 O ILE A 17 30.668 -64.529 11.691 1.00 0.00 O ATOM 274 CB ILE A 17 31.716 -67.090 12.861 1.00 0.00 C ATOM 275 CG1 ILE A 17 31.713 -68.278 13.835 1.00 0.00 C ATOM 276 CG2 ILE A 17 33.041 -67.068 12.087 1.00 0.00 C ATOM 277 CD1 ILE A 17 31.586 -69.617 13.107 1.00 0.00 C ATOM 0 H ILE A 17 29.577 -66.597 14.004 1.00 0.00 H new ATOM 0 HA ILE A 17 32.270 -65.583 14.332 1.00 0.00 H new ATOM 0 HB ILE A 17 30.896 -67.210 12.153 1.00 0.00 H new ATOM 0 HG12 ILE A 17 32.633 -68.269 14.420 1.00 0.00 H new ATOM 0 HG13 ILE A 17 30.887 -68.168 14.538 1.00 0.00 H new ATOM 0 HG21 ILE A 17 33.179 -68.020 11.575 1.00 0.00 H new ATOM 0 HG22 ILE A 17 33.021 -66.261 11.354 1.00 0.00 H new ATOM 0 HG23 ILE A 17 33.865 -66.907 12.782 1.00 0.00 H new ATOM 0 HD11 ILE A 17 31.588 -70.428 13.835 1.00 0.00 H new ATOM 0 HD12 ILE A 17 30.653 -69.638 12.543 1.00 0.00 H new ATOM 0 HD13 ILE A 17 32.426 -69.741 12.423 1.00 0.00 H new ATOM 289 N CYS A 18 32.479 -63.717 12.737 1.00 0.00 N ATOM 290 CA CYS A 18 32.711 -62.720 11.684 1.00 0.00 C ATOM 291 C CYS A 18 33.881 -63.201 10.822 1.00 0.00 C ATOM 292 O CYS A 18 34.819 -63.832 11.312 1.00 0.00 O ATOM 293 CB CYS A 18 32.969 -61.327 12.268 1.00 0.00 C ATOM 294 SG CYS A 18 34.716 -61.046 12.607 1.00 0.00 S ATOM 0 H CYS A 18 33.112 -63.665 13.535 1.00 0.00 H new ATOM 0 HA CYS A 18 31.818 -62.623 11.067 1.00 0.00 H new ATOM 0 HB2 CYS A 18 32.609 -60.570 11.571 1.00 0.00 H new ATOM 0 HB3 CYS A 18 32.398 -61.209 13.189 1.00 0.00 H new ATOM 299 N LEU A 19 33.818 -62.935 9.525 1.00 0.00 N ATOM 300 CA LEU A 19 34.826 -63.491 8.612 1.00 0.00 C ATOM 301 C LEU A 19 35.556 -62.318 7.942 1.00 0.00 C ATOM 302 O LEU A 19 34.917 -61.526 7.247 1.00 0.00 O ATOM 303 CB LEU A 19 34.060 -64.364 7.605 1.00 0.00 C ATOM 304 CG LEU A 19 34.893 -65.385 6.818 1.00 0.00 C ATOM 305 CD1 LEU A 19 35.957 -64.733 5.933 1.00 0.00 C ATOM 306 CD2 LEU A 19 35.526 -66.407 7.763 1.00 0.00 C ATOM 0 H LEU A 19 33.104 -62.355 9.083 1.00 0.00 H new ATOM 0 HA LEU A 19 35.579 -64.101 9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.279 -64.902 8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 19 33.562 -63.707 6.892 1.00 0.00 H new ATOM 0 HG LEU A 19 34.205 -65.899 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 19 36.513 -65.506 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.476 -64.073 5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.642 -64.155 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 19 36.112 -67.122 7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.175 -65.894 8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.742 -66.935 8.306 1.00 0.00 H new ATOM 318 N PRO A 20 36.869 -62.137 8.121 1.00 0.00 N ATOM 319 CA PRO A 20 37.745 -63.114 8.784 1.00 0.00 C ATOM 320 C PRO A 20 37.703 -63.002 10.318 1.00 0.00 C ATOM 321 O PRO A 20 37.253 -61.992 10.863 1.00 0.00 O ATOM 322 CB PRO A 20 39.116 -62.714 8.227 1.00 0.00 C ATOM 323 CG PRO A 20 39.002 -61.219 7.931 1.00 0.00 C ATOM 324 CD PRO A 20 37.566 -61.044 7.448 1.00 0.00 C ATOM 0 HA PRO A 20 37.464 -64.150 8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 20 39.909 -62.914 8.948 1.00 0.00 H new ATOM 0 HB3 PRO A 20 39.355 -63.278 7.325 1.00 0.00 H new ATOM 0 HG2 PRO A 20 39.199 -60.620 8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 20 39.719 -60.907 7.171 1.00 0.00 H new ATOM 0 HD2 PRO A 20 37.160 -60.072 7.727 1.00 0.00 H new ATOM 0 HD3 PRO A 20 37.491 -61.122 6.363 1.00 0.00 H new ATOM 332 N PRO A 21 38.157 -64.024 11.049 1.00 0.00 N ATOM 333 CA PRO A 21 37.943 -64.073 12.499 1.00 0.00 C ATOM 334 C PRO A 21 39.048 -63.374 13.302 1.00 0.00 C ATOM 335 O PRO A 21 38.766 -62.496 14.115 1.00 0.00 O ATOM 336 CB PRO A 21 37.902 -65.583 12.755 1.00 0.00 C ATOM 337 CG PRO A 21 38.790 -66.193 11.669 1.00 0.00 C ATOM 338 CD PRO A 21 38.570 -65.296 10.451 1.00 0.00 C ATOM 0 HA PRO A 21 37.046 -63.542 12.818 1.00 0.00 H new ATOM 0 HB2 PRO A 21 38.274 -65.825 13.751 1.00 0.00 H new ATOM 0 HB3 PRO A 21 36.883 -65.966 12.693 1.00 0.00 H new ATOM 0 HG2 PRO A 21 39.837 -66.203 11.971 1.00 0.00 H new ATOM 0 HG3 PRO A 21 38.509 -67.225 11.459 1.00 0.00 H new ATOM 0 HD2 PRO A 21 39.479 -65.188 9.860 1.00 0.00 H new ATOM 0 HD3 PRO A 21 37.804 -65.697 9.787 1.00 0.00 H new ATOM 346 N SER A 22 40.304 -63.767 13.108 1.00 0.00 N ATOM 347 CA SER A 22 41.386 -63.229 13.947 1.00 0.00 C ATOM 348 C SER A 22 41.936 -61.896 13.417 1.00 0.00 C ATOM 349 O SER A 22 43.147 -61.703 13.301 1.00 0.00 O ATOM 350 CB SER A 22 42.495 -64.286 14.014 1.00 0.00 C ATOM 351 OG SER A 22 43.059 -64.486 12.724 1.00 0.00 O ATOM 0 H SER A 22 40.599 -64.438 12.399 1.00 0.00 H new ATOM 0 HA SER A 22 40.992 -63.015 14.941 1.00 0.00 H new ATOM 0 HB2 SER A 22 43.269 -63.968 14.712 1.00 0.00 H new ATOM 0 HB3 SER A 22 42.091 -65.225 14.392 1.00 0.00 H new ATOM 0 HG SER A 22 43.767 -65.161 12.778 1.00 0.00 H new ATOM 357 N SER A 23 41.048 -60.961 13.108 1.00 0.00 N ATOM 358 CA SER A 23 41.482 -59.647 12.616 1.00 0.00 C ATOM 359 C SER A 23 40.276 -58.708 12.643 1.00 0.00 C ATOM 360 O SER A 23 39.692 -58.377 11.609 1.00 0.00 O ATOM 361 CB SER A 23 42.057 -59.772 11.201 1.00 0.00 C ATOM 362 OG SER A 23 41.080 -60.297 10.312 1.00 0.00 O ATOM 0 H SER A 23 40.038 -61.077 13.185 1.00 0.00 H new ATOM 0 HA SER A 23 42.271 -59.244 13.251 1.00 0.00 H new ATOM 0 HB2 SER A 23 42.390 -58.795 10.850 1.00 0.00 H new ATOM 0 HB3 SER A 23 42.932 -60.421 11.214 1.00 0.00 H new ATOM 0 HG SER A 23 40.233 -59.821 10.438 1.00 0.00 H new ATOM 368 N ASP A 24 39.877 -58.305 13.843 1.00 0.00 N ATOM 369 CA ASP A 24 38.603 -57.591 13.980 1.00 0.00 C ATOM 370 C ASP A 24 38.715 -56.360 14.884 1.00 0.00 C ATOM 371 O ASP A 24 39.547 -56.267 15.788 1.00 0.00 O ATOM 372 CB ASP A 24 37.532 -58.566 14.489 1.00 0.00 C ATOM 373 CG ASP A 24 37.818 -59.139 15.873 1.00 0.00 C ATOM 374 OD1 ASP A 24 37.398 -58.526 16.878 1.00 0.00 O ATOM 375 OD2 ASP A 24 38.438 -60.219 15.964 1.00 0.00 O ATOM 0 H ASP A 24 40.393 -58.451 14.711 1.00 0.00 H new ATOM 0 HA ASP A 24 38.314 -57.214 12.999 1.00 0.00 H new ATOM 0 HB2 ASP A 24 36.571 -58.053 14.512 1.00 0.00 H new ATOM 0 HB3 ASP A 24 37.438 -59.388 13.780 1.00 0.00 H new ATOM 380 N PHE A 25 37.827 -55.410 14.626 1.00 0.00 N ATOM 381 CA PHE A 25 37.701 -54.235 15.493 1.00 0.00 C ATOM 382 C PHE A 25 36.594 -54.491 16.519 1.00 0.00 C ATOM 383 O PHE A 25 35.774 -55.397 16.363 1.00 0.00 O ATOM 384 CB PHE A 25 37.321 -53.021 14.638 1.00 0.00 C ATOM 385 CG PHE A 25 38.329 -52.717 13.545 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.549 -52.219 13.861 1.00 0.00 C ATOM 387 CD2 PHE A 25 38.005 -52.935 12.247 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.443 -51.947 12.883 1.00 0.00 C ATOM 389 CE2 PHE A 25 38.899 -52.658 11.269 1.00 0.00 C ATOM 390 CZ PHE A 25 40.118 -52.165 11.588 1.00 0.00 C ATOM 0 H PHE A 25 37.186 -55.424 13.832 1.00 0.00 H new ATOM 0 HA PHE A 25 38.645 -54.046 16.004 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.345 -53.196 14.184 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.221 -52.148 15.283 1.00 0.00 H new ATOM 0 HD1 PHE A 25 39.808 -52.039 14.894 1.00 0.00 H new ATOM 0 HD2 PHE A 25 37.033 -53.330 11.993 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.417 -51.555 13.136 1.00 0.00 H new ATOM 0 HE2 PHE A 25 38.639 -52.830 10.235 1.00 0.00 H new ATOM 0 HZ PHE A 25 40.832 -51.945 10.808 1.00 0.00 H new ATOM 400 N GLY A 26 36.554 -53.685 17.574 1.00 0.00 N ATOM 401 CA GLY A 26 35.580 -53.927 18.646 1.00 0.00 C ATOM 402 C GLY A 26 34.241 -53.251 18.366 1.00 0.00 C ATOM 403 O GLY A 26 33.740 -53.254 17.241 1.00 0.00 O ATOM 0 H GLY A 26 37.163 -52.879 17.714 1.00 0.00 H new ATOM 0 HA2 GLY A 26 35.427 -55.000 18.761 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.981 -53.559 19.590 1.00 0.00 H new ATOM 407 N LYS A 27 33.646 -52.665 19.398 1.00 0.00 N ATOM 408 CA LYS A 27 32.373 -51.961 19.201 1.00 0.00 C ATOM 409 C LYS A 27 32.661 -50.557 18.667 1.00 0.00 C ATOM 410 O LYS A 27 32.853 -49.601 19.418 1.00 0.00 O ATOM 411 CB LYS A 27 31.593 -51.890 20.518 1.00 0.00 C ATOM 412 CG LYS A 27 31.218 -53.281 21.040 1.00 0.00 C ATOM 413 CD LYS A 27 30.270 -53.201 22.237 1.00 0.00 C ATOM 414 CE LYS A 27 30.956 -52.651 23.488 1.00 0.00 C ATOM 415 NZ LYS A 27 29.983 -52.591 24.593 1.00 0.00 N ATOM 0 H LYS A 27 34.005 -52.658 20.353 1.00 0.00 H new ATOM 0 HA LYS A 27 31.762 -52.503 18.480 1.00 0.00 H new ATOM 0 HB2 LYS A 27 32.192 -51.372 21.266 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.687 -51.302 20.371 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.748 -53.854 20.241 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.122 -53.817 21.328 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.421 -52.566 21.983 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.874 -54.194 22.450 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.798 -53.286 23.764 1.00 0.00 H new ATOM 0 HE3 LYS A 27 31.358 -51.658 23.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.448 -52.217 25.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.194 -51.968 24.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.620 -53.546 24.788 1.00 0.00 H new ATOM 429 N MET A 28 32.711 -50.446 17.348 1.00 0.00 N ATOM 430 CA MET A 28 33.087 -49.173 16.725 1.00 0.00 C ATOM 431 C MET A 28 31.835 -48.298 16.586 1.00 0.00 C ATOM 432 O MET A 28 31.522 -47.505 17.474 1.00 0.00 O ATOM 433 CB MET A 28 33.761 -49.494 15.384 1.00 0.00 C ATOM 434 CG MET A 28 35.074 -50.262 15.546 1.00 0.00 C ATOM 435 SD MET A 28 35.755 -50.588 13.913 1.00 0.00 S ATOM 436 CE MET A 28 36.542 -49.000 13.623 1.00 0.00 C ATOM 0 H MET A 28 32.502 -51.201 16.695 1.00 0.00 H new ATOM 0 HA MET A 28 33.796 -48.606 17.329 1.00 0.00 H new ATOM 0 HB2 MET A 28 33.077 -50.080 14.770 1.00 0.00 H new ATOM 0 HB3 MET A 28 33.953 -48.564 14.848 1.00 0.00 H new ATOM 0 HG2 MET A 28 35.780 -49.683 16.141 1.00 0.00 H new ATOM 0 HG3 MET A 28 34.902 -51.198 16.077 1.00 0.00 H new ATOM 0 HE1 MET A 28 37.143 -49.052 12.715 1.00 0.00 H new ATOM 0 HE2 MET A 28 35.778 -48.231 13.509 1.00 0.00 H new ATOM 0 HE3 MET A 28 37.183 -48.752 14.469 1.00 0.00 H new ATOM 446 N ASP A 29 31.087 -48.459 15.500 1.00 0.00 N ATOM 447 CA ASP A 29 29.764 -47.824 15.417 1.00 0.00 C ATOM 448 C ASP A 29 28.780 -48.791 14.738 1.00 0.00 C ATOM 449 O ASP A 29 28.061 -48.441 13.802 1.00 0.00 O ATOM 450 CB ASP A 29 29.855 -46.441 14.749 1.00 0.00 C ATOM 451 CG ASP A 29 30.233 -46.446 13.272 1.00 0.00 C ATOM 452 OD1 ASP A 29 31.284 -47.014 12.907 1.00 0.00 O ATOM 453 OD2 ASP A 29 29.483 -45.851 12.468 1.00 0.00 O ATOM 0 H ASP A 29 31.358 -49.006 14.683 1.00 0.00 H new ATOM 0 HA ASP A 29 29.375 -47.626 16.416 1.00 0.00 H new ATOM 0 HB2 ASP A 29 28.893 -45.941 14.858 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.588 -45.843 15.291 1.00 0.00 H new ATOM 458 N CYS A 30 28.740 -50.025 15.234 1.00 0.00 N ATOM 459 CA CYS A 30 27.824 -51.026 14.675 1.00 0.00 C ATOM 460 C CYS A 30 26.570 -51.121 15.558 1.00 0.00 C ATOM 461 O CYS A 30 25.594 -50.401 15.348 1.00 0.00 O ATOM 462 CB CYS A 30 28.564 -52.367 14.573 1.00 0.00 C ATOM 463 SG CYS A 30 29.884 -52.297 13.347 1.00 0.00 S ATOM 0 H CYS A 30 29.318 -50.356 16.007 1.00 0.00 H new ATOM 0 HA CYS A 30 27.498 -50.741 13.675 1.00 0.00 H new ATOM 0 HB2 CYS A 30 28.982 -52.629 15.545 1.00 0.00 H new ATOM 0 HB3 CYS A 30 27.859 -53.154 14.306 1.00 0.00 H new ATOM 468 N ARG A 31 26.581 -52.009 16.547 1.00 0.00 N ATOM 469 CA ARG A 31 25.418 -52.177 17.423 1.00 0.00 C ATOM 470 C ARG A 31 25.923 -52.629 18.805 1.00 0.00 C ATOM 471 O ARG A 31 27.127 -52.760 19.031 1.00 0.00 O ATOM 472 CB ARG A 31 24.468 -53.169 16.731 1.00 0.00 C ATOM 473 CG ARG A 31 23.113 -53.250 17.433 1.00 0.00 C ATOM 474 CD ARG A 31 22.042 -53.892 16.547 1.00 0.00 C ATOM 475 NE ARG A 31 20.720 -53.783 17.182 1.00 0.00 N ATOM 476 CZ ARG A 31 20.003 -52.667 17.092 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.459 -51.605 16.453 1.00 0.00 N ATOM 478 NH2 ARG A 31 18.812 -52.616 17.652 1.00 0.00 N ATOM 0 H ARG A 31 27.370 -52.618 16.764 1.00 0.00 H new ATOM 0 HA ARG A 31 24.856 -51.258 17.590 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.321 -52.867 15.694 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.927 -54.158 16.713 1.00 0.00 H new ATOM 0 HG2 ARG A 31 23.216 -53.827 18.352 1.00 0.00 H new ATOM 0 HG3 ARG A 31 22.793 -52.248 17.719 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.026 -53.404 15.573 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.284 -54.941 16.374 1.00 0.00 H new ATOM 0 HE ARG A 31 20.346 -54.578 17.701 1.00 0.00 H new ATOM 0 HH11 ARG A 31 21.380 -51.630 16.015 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.890 -50.760 16.397 1.00 0.00 H new ATOM 0 HH21 ARG A 31 18.447 -53.428 18.149 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.255 -51.764 17.588 1.00 0.00 H new ATOM 492 N TRP A 32 25.024 -52.844 19.759 1.00 0.00 N ATOM 493 CA TRP A 32 25.457 -53.155 21.130 1.00 0.00 C ATOM 494 C TRP A 32 26.349 -54.402 21.218 1.00 0.00 C ATOM 495 O TRP A 32 27.458 -54.345 21.746 1.00 0.00 O ATOM 496 CB TRP A 32 24.205 -53.279 22.008 1.00 0.00 C ATOM 497 CG TRP A 32 24.539 -53.549 23.462 1.00 0.00 C ATOM 498 CD1 TRP A 32 24.229 -54.708 24.183 1.00 0.00 C ATOM 499 CD2 TRP A 32 25.225 -52.737 24.331 1.00 0.00 C ATOM 500 NE1 TRP A 32 24.722 -54.623 25.494 1.00 0.00 N ATOM 501 CE2 TRP A 32 25.335 -53.379 25.535 1.00 0.00 C ATOM 502 CE3 TRP A 32 25.756 -51.509 24.132 1.00 0.00 C ATOM 503 CZ2 TRP A 32 25.985 -52.795 26.570 1.00 0.00 C ATOM 504 CZ3 TRP A 32 26.407 -50.924 25.172 1.00 0.00 C ATOM 505 CH2 TRP A 32 26.520 -51.559 26.376 1.00 0.00 C ATOM 0 H TRP A 32 24.014 -52.812 19.622 1.00 0.00 H new ATOM 0 HA TRP A 32 26.088 -52.343 21.490 1.00 0.00 H new ATOM 0 HB2 TRP A 32 23.623 -52.360 21.937 1.00 0.00 H new ATOM 0 HB3 TRP A 32 23.577 -54.084 21.627 1.00 0.00 H new ATOM 0 HD1 TRP A 32 23.685 -55.552 23.785 1.00 0.00 H new ATOM 0 HE1 TRP A 32 24.647 -55.313 26.241 1.00 0.00 H new ATOM 0 HE3 TRP A 32 25.666 -51.010 23.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 26.076 -53.296 27.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 26.841 -49.943 25.045 1.00 0.00 H new ATOM 0 HH2 TRP A 32 27.042 -51.073 27.187 1.00 0.00 H new ATOM 516 N ARG A 33 25.875 -55.527 20.704 1.00 0.00 N ATOM 517 CA ARG A 33 26.699 -56.746 20.724 1.00 0.00 C ATOM 518 C ARG A 33 27.491 -56.968 19.424 1.00 0.00 C ATOM 519 O ARG A 33 28.024 -58.057 19.213 1.00 0.00 O ATOM 520 CB ARG A 33 25.798 -57.968 20.947 1.00 0.00 C ATOM 521 CG ARG A 33 25.190 -58.047 22.350 1.00 0.00 C ATOM 522 CD ARG A 33 24.473 -59.390 22.500 1.00 0.00 C ATOM 523 NE ARG A 33 23.934 -59.572 23.853 1.00 0.00 N ATOM 524 CZ ARG A 33 23.426 -60.741 24.227 1.00 0.00 C ATOM 525 NH1 ARG A 33 23.408 -61.783 23.413 1.00 0.00 N ATOM 526 NH2 ARG A 33 22.928 -60.871 25.440 1.00 0.00 N ATOM 0 H ARG A 33 24.954 -55.631 20.278 1.00 0.00 H new ATOM 0 HA ARG A 33 27.417 -56.619 21.534 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.992 -57.951 20.214 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.378 -58.872 20.762 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.970 -57.949 23.106 1.00 0.00 H new ATOM 0 HG3 ARG A 33 24.490 -57.226 22.505 1.00 0.00 H new ATOM 0 HD2 ARG A 33 23.662 -59.452 21.774 1.00 0.00 H new ATOM 0 HD3 ARG A 33 25.167 -60.200 22.273 1.00 0.00 H new ATOM 0 HE ARG A 33 23.950 -58.794 24.512 1.00 0.00 H new ATOM 0 HH11 ARG A 33 23.791 -61.701 22.471 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.011 -62.669 23.727 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.935 -60.078 26.082 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.536 -61.764 25.737 1.00 0.00 H new ATOM 540 N TRP A 34 27.575 -55.992 18.523 1.00 0.00 N ATOM 541 CA TRP A 34 28.236 -56.249 17.235 1.00 0.00 C ATOM 542 C TRP A 34 29.613 -55.584 17.177 1.00 0.00 C ATOM 543 O TRP A 34 29.946 -54.686 17.951 1.00 0.00 O ATOM 544 CB TRP A 34 27.359 -55.737 16.086 1.00 0.00 C ATOM 545 CG TRP A 34 26.148 -56.610 15.798 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.493 -57.494 16.668 1.00 0.00 C ATOM 547 CD2 TRP A 34 25.477 -56.702 14.603 1.00 0.00 C ATOM 548 NE1 TRP A 34 24.419 -58.122 16.024 1.00 0.00 N ATOM 549 CE2 TRP A 34 24.448 -57.593 14.744 1.00 0.00 C ATOM 550 CE3 TRP A 34 25.721 -56.090 13.421 1.00 0.00 C ATOM 551 CZ2 TRP A 34 23.634 -57.880 13.701 1.00 0.00 C ATOM 552 CZ3 TRP A 34 24.899 -56.374 12.376 1.00 0.00 C ATOM 553 CH2 TRP A 34 23.867 -57.256 12.515 1.00 0.00 C ATOM 0 H TRP A 34 27.210 -55.048 18.647 1.00 0.00 H new ATOM 0 HA TRP A 34 28.375 -57.325 17.134 1.00 0.00 H new ATOM 0 HB2 TRP A 34 27.019 -54.729 16.323 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.966 -55.665 15.183 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.778 -57.667 17.695 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.768 -58.808 16.407 1.00 0.00 H new ATOM 0 HE3 TRP A 34 26.543 -55.398 13.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 22.822 -58.585 13.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 25.065 -55.895 11.422 1.00 0.00 H new ATOM 0 HH2 TRP A 34 23.226 -57.462 11.671 1.00 0.00 H new ATOM 564 N LYS A 35 30.418 -56.043 16.227 1.00 0.00 N ATOM 565 CA LYS A 35 31.755 -55.464 16.045 1.00 0.00 C ATOM 566 C LYS A 35 32.118 -55.428 14.552 1.00 0.00 C ATOM 567 O LYS A 35 31.397 -55.961 13.710 1.00 0.00 O ATOM 568 CB LYS A 35 32.760 -56.257 16.892 1.00 0.00 C ATOM 569 CG LYS A 35 32.942 -57.721 16.473 1.00 0.00 C ATOM 570 CD LYS A 35 34.076 -58.359 17.281 1.00 0.00 C ATOM 571 CE LYS A 35 34.290 -59.828 16.912 1.00 0.00 C ATOM 572 NZ LYS A 35 35.509 -60.327 17.576 1.00 0.00 N ATOM 0 H LYS A 35 30.182 -56.797 15.581 1.00 0.00 H new ATOM 0 HA LYS A 35 31.778 -54.430 16.389 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.728 -55.757 16.844 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.438 -56.229 17.933 1.00 0.00 H new ATOM 0 HG2 LYS A 35 32.015 -58.272 16.633 1.00 0.00 H new ATOM 0 HG3 LYS A 35 33.166 -57.778 15.408 1.00 0.00 H new ATOM 0 HD2 LYS A 35 34.999 -57.805 17.110 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.850 -58.282 18.345 1.00 0.00 H new ATOM 0 HE2 LYS A 35 33.428 -60.421 17.217 1.00 0.00 H new ATOM 0 HE3 LYS A 35 34.382 -59.933 15.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 35.933 -61.083 17.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 36.191 -59.549 17.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 35.264 -60.702 18.515 1.00 0.00 H new ATOM 586 N CYS A 36 33.227 -54.782 14.198 1.00 0.00 N ATOM 587 CA CYS A 36 33.600 -54.706 12.774 1.00 0.00 C ATOM 588 C CYS A 36 34.750 -55.674 12.465 1.00 0.00 C ATOM 589 O CYS A 36 35.640 -55.886 13.285 1.00 0.00 O ATOM 590 CB CYS A 36 34.001 -53.270 12.406 1.00 0.00 C ATOM 591 SG CYS A 36 32.595 -52.371 11.723 1.00 0.00 S ATOM 0 H CYS A 36 33.866 -54.318 14.844 1.00 0.00 H new ATOM 0 HA CYS A 36 32.736 -54.994 12.175 1.00 0.00 H new ATOM 0 HB2 CYS A 36 34.375 -52.753 13.290 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.814 -53.289 11.680 1.00 0.00 H new ATOM 596 N CYS A 37 34.759 -56.250 11.265 1.00 0.00 N ATOM 597 CA CYS A 37 35.903 -57.082 10.852 1.00 0.00 C ATOM 598 C CYS A 37 36.388 -56.654 9.459 1.00 0.00 C ATOM 599 O CYS A 37 35.644 -56.066 8.672 1.00 0.00 O ATOM 600 CB CYS A 37 35.512 -58.565 10.869 1.00 0.00 C ATOM 601 SG CYS A 37 35.076 -59.073 12.545 1.00 0.00 S ATOM 0 H CYS A 37 34.014 -56.165 10.574 1.00 0.00 H new ATOM 0 HA CYS A 37 36.722 -56.940 11.557 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.669 -58.735 10.199 1.00 0.00 H new ATOM 0 HB3 CYS A 37 36.339 -59.171 10.501 1.00 0.00 H new ATOM 606 N LYS A 38 37.656 -56.927 9.155 1.00 0.00 N ATOM 607 CA LYS A 38 38.230 -56.437 7.890 1.00 0.00 C ATOM 608 C LYS A 38 39.182 -57.471 7.272 1.00 0.00 C ATOM 609 O LYS A 38 39.939 -58.145 7.973 1.00 0.00 O ATOM 610 CB LYS A 38 38.967 -55.121 8.185 1.00 0.00 C ATOM 611 CG LYS A 38 39.577 -54.499 6.925 1.00 0.00 C ATOM 612 CD LYS A 38 40.304 -53.190 7.235 1.00 0.00 C ATOM 613 CE LYS A 38 40.990 -52.660 5.974 1.00 0.00 C ATOM 614 NZ LYS A 38 41.606 -51.350 6.248 1.00 0.00 N ATOM 0 H LYS A 38 38.293 -57.466 9.741 1.00 0.00 H new ATOM 0 HA LYS A 38 37.435 -56.269 7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 38 38.273 -54.413 8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.756 -55.305 8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 38 40.274 -55.204 6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 38 38.791 -54.314 6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 38 39.596 -52.452 7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 38 41.043 -53.352 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 38 41.750 -53.366 5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 38 40.264 -52.568 5.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 42.169 -51.052 5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 40.861 -50.648 6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 42.224 -51.424 7.081 1.00 0.00 H new