USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 881 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 543 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 574 TYR OH : rot 180:sc= -0.414 USER MOD Single : A 500 SER OG : rot 180:sc= 0 USER MOD Single : A 501 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.591) USER MOD Single : A 502 ASN : amide:sc= -13! C(o=-13!,f=-15!) USER MOD Single : A 515 SER OG : rot 50:sc= 0.614 USER MOD Single : A 516 THR OG1 : rot 90:sc= 0.019 USER MOD Single : A 522 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 525 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 532 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-2.7!) USER MOD Single : A 537 THR OG1 : rot 121:sc= 1.2 USER MOD Single : A 538 CYS SG : rot 180:sc= 0 USER MOD Single : A 539 ASN : amide:sc= -0.493! K(o=-0.49!,f=-1.6) USER MOD Single : A 544 THR OG1 : rot -59:sc= 0.232! USER MOD Single : A 545 SER OG : rot 150:sc= 0 USER MOD Single : A 547 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 549 ASN : amide:sc= -0.726 K(o=-0.73,f=-6!) USER MOD Single : A 554 THR OG1 : rot 180:sc= 0.0721 USER MOD Single : A 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 560 THR OG1 : rot 180:sc= 0 USER MOD Single : A 575 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 577 GLN : amide:sc= -0.578 K(o=-0.58,f=-2.2) USER MOD Single : A 580 GLN : amide:sc= 0.487 K(o=0.49,f=-0.059) USER MOD Single : A 587 THR OG1 : rot 70:sc= 0.0321 USER MOD Single : A 589 SER OG : rot 180:sc= 0 USER MOD Single : A 593 HIS : no HD1:sc= -1.85 X(o=-1.8,f=-1.6) USER MOD Single : A 595 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 596 THR OG1 : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 605 SER OG : rot 180:sc= 0 USER MOD Single : A 606 CYS SG : rot -45:sc= -0.188 USER MOD ----------------------------------------------------------------- ATOM 112 N ILE A 490 -14.272 1.927 -9.397 1.00 0.00 N ATOM 113 CA ILE A 490 -13.175 2.562 -8.676 1.00 0.00 C ATOM 114 C ILE A 490 -12.960 3.990 -9.171 1.00 0.00 C ATOM 115 O ILE A 490 -12.550 4.865 -8.409 1.00 0.00 O ATOM 116 CB ILE A 490 -11.889 1.752 -8.864 1.00 0.00 C ATOM 117 CG1 ILE A 490 -12.058 0.357 -8.238 1.00 0.00 C ATOM 118 CG2 ILE A 490 -10.719 2.485 -8.200 1.00 0.00 C ATOM 119 CD1 ILE A 490 -11.723 0.398 -6.742 1.00 0.00 C ATOM 0 HA ILE A 490 -13.432 2.595 -7.617 1.00 0.00 H new ATOM 0 HB ILE A 490 -11.683 1.641 -9.929 1.00 0.00 H new ATOM 0 HG12 ILE A 490 -13.082 0.010 -8.379 1.00 0.00 H new ATOM 0 HG13 ILE A 490 -11.407 -0.357 -8.743 1.00 0.00 H new ATOM 0 HG21 ILE A 490 -9.804 1.907 -8.335 1.00 0.00 H new ATOM 0 HG22 ILE A 490 -10.598 3.467 -8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 490 -10.921 2.603 -7.135 1.00 0.00 H new ATOM 0 HD11 ILE A 490 -11.847 -0.597 -6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 490 -10.691 0.724 -6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 490 -12.392 1.096 -6.238 1.00 0.00 H new ATOM 131 N LEU A 491 -13.239 4.218 -10.451 1.00 0.00 N ATOM 132 CA LEU A 491 -13.070 5.545 -11.033 1.00 0.00 C ATOM 133 C LEU A 491 -14.004 6.545 -10.352 1.00 0.00 C ATOM 134 O LEU A 491 -13.564 7.388 -9.571 1.00 0.00 O ATOM 135 CB LEU A 491 -13.364 5.494 -12.543 1.00 0.00 C ATOM 136 CG LEU A 491 -12.108 5.866 -13.341 1.00 0.00 C ATOM 137 CD1 LEU A 491 -11.105 4.712 -13.292 1.00 0.00 C ATOM 138 CD2 LEU A 491 -12.496 6.139 -14.797 1.00 0.00 C ATOM 0 H LEU A 491 -13.580 3.508 -11.100 1.00 0.00 H new ATOM 0 HA LEU A 491 -12.040 5.869 -10.880 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -13.698 4.495 -12.822 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -14.175 6.181 -12.786 1.00 0.00 H new ATOM 0 HG LEU A 491 -11.655 6.757 -12.907 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -10.214 4.980 -13.860 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -10.829 4.514 -12.256 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -11.556 3.819 -13.725 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -11.606 6.404 -15.367 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -12.950 5.246 -15.226 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -13.209 6.962 -14.835 1.00 0.00 H new ATOM 150 N GLY A 492 -15.295 6.442 -10.655 1.00 0.00 N ATOM 151 CA GLY A 492 -16.281 7.342 -10.066 1.00 0.00 C ATOM 152 C GLY A 492 -16.049 7.497 -8.566 1.00 0.00 C ATOM 153 O GLY A 492 -16.166 8.593 -8.019 1.00 0.00 O ATOM 0 H GLY A 492 -15.680 5.751 -11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 492 -16.224 8.317 -10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 492 -17.284 6.956 -10.245 1.00 0.00 H new ATOM 157 N LEU A 493 -15.719 6.391 -7.909 1.00 0.00 N ATOM 158 CA LEU A 493 -15.472 6.411 -6.471 1.00 0.00 C ATOM 159 C LEU A 493 -14.227 7.239 -6.155 1.00 0.00 C ATOM 160 O LEU A 493 -14.229 8.059 -5.233 1.00 0.00 O ATOM 161 CB LEU A 493 -15.287 4.974 -5.958 1.00 0.00 C ATOM 162 CG LEU A 493 -16.598 4.453 -5.360 1.00 0.00 C ATOM 163 CD1 LEU A 493 -17.655 4.335 -6.461 1.00 0.00 C ATOM 164 CD2 LEU A 493 -16.358 3.075 -4.737 1.00 0.00 C ATOM 0 H LEU A 493 -15.617 5.475 -8.345 1.00 0.00 H new ATOM 0 HA LEU A 493 -16.328 6.866 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -14.969 4.327 -6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -14.499 4.947 -5.205 1.00 0.00 H new ATOM 0 HG LEU A 493 -16.948 5.146 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -18.586 3.964 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -17.826 5.314 -6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -17.307 3.642 -7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -17.289 2.701 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -16.008 2.385 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -15.606 3.157 -3.952 1.00 0.00 H new ATOM 176 N GLY A 494 -13.166 7.018 -6.924 1.00 0.00 N ATOM 177 CA GLY A 494 -11.917 7.743 -6.719 1.00 0.00 C ATOM 178 C GLY A 494 -12.142 9.251 -6.733 1.00 0.00 C ATOM 179 O GLY A 494 -11.598 9.976 -5.899 1.00 0.00 O ATOM 0 H GLY A 494 -13.145 6.346 -7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 494 -11.475 7.448 -5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 494 -11.205 7.472 -7.499 1.00 0.00 H new ATOM 183 N ILE A 495 -12.940 9.722 -7.687 1.00 0.00 N ATOM 184 CA ILE A 495 -13.220 11.150 -7.799 1.00 0.00 C ATOM 185 C ILE A 495 -14.353 11.556 -6.860 1.00 0.00 C ATOM 186 O ILE A 495 -14.680 12.736 -6.745 1.00 0.00 O ATOM 187 CB ILE A 495 -13.596 11.498 -9.240 1.00 0.00 C ATOM 188 CG1 ILE A 495 -14.754 10.608 -9.698 1.00 0.00 C ATOM 189 CG2 ILE A 495 -12.389 11.267 -10.151 1.00 0.00 C ATOM 190 CD1 ILE A 495 -15.289 11.114 -11.039 1.00 0.00 C ATOM 0 H ILE A 495 -13.401 9.142 -8.388 1.00 0.00 H new ATOM 0 HA ILE A 495 -12.321 11.698 -7.516 1.00 0.00 H new ATOM 0 HB ILE A 495 -13.899 12.544 -9.292 1.00 0.00 H new ATOM 0 HG12 ILE A 495 -14.417 9.576 -9.795 1.00 0.00 H new ATOM 0 HG13 ILE A 495 -15.549 10.615 -8.952 1.00 0.00 H new ATOM 0 HG21 ILE A 495 -12.656 11.515 -11.178 1.00 0.00 H new ATOM 0 HG22 ILE A 495 -11.563 11.900 -9.828 1.00 0.00 H new ATOM 0 HG23 ILE A 495 -12.087 10.221 -10.097 1.00 0.00 H new ATOM 0 HD11 ILE A 495 -16.114 10.480 -11.364 1.00 0.00 H new ATOM 0 HD12 ILE A 495 -15.642 12.139 -10.926 1.00 0.00 H new ATOM 0 HD13 ILE A 495 -14.493 11.084 -11.783 1.00 0.00 H new ATOM 202 N ALA A 496 -14.949 10.572 -6.194 1.00 0.00 N ATOM 203 CA ALA A 496 -16.045 10.848 -5.273 1.00 0.00 C ATOM 204 C ALA A 496 -15.518 11.446 -3.972 1.00 0.00 C ATOM 205 O ALA A 496 -16.076 12.413 -3.455 1.00 0.00 O ATOM 206 CB ALA A 496 -16.817 9.563 -4.971 1.00 0.00 C ATOM 0 H ALA A 496 -14.695 9.587 -6.273 1.00 0.00 H new ATOM 0 HA ALA A 496 -16.714 11.568 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 496 -17.633 9.782 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 496 -17.223 9.156 -5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 496 -16.146 8.833 -4.518 1.00 0.00 H new ATOM 212 N PHE A 497 -14.443 10.865 -3.445 1.00 0.00 N ATOM 213 CA PHE A 497 -13.860 11.362 -2.201 1.00 0.00 C ATOM 214 C PHE A 497 -13.460 12.826 -2.351 1.00 0.00 C ATOM 215 O PHE A 497 -13.711 13.645 -1.468 1.00 0.00 O ATOM 216 CB PHE A 497 -12.630 10.531 -1.815 1.00 0.00 C ATOM 217 CG PHE A 497 -12.793 9.100 -2.278 1.00 0.00 C ATOM 218 CD1 PHE A 497 -14.061 8.501 -2.312 1.00 0.00 C ATOM 219 CD2 PHE A 497 -11.665 8.367 -2.664 1.00 0.00 C ATOM 220 CE1 PHE A 497 -14.194 7.172 -2.732 1.00 0.00 C ATOM 221 CE2 PHE A 497 -11.800 7.040 -3.084 1.00 0.00 C ATOM 222 CZ PHE A 497 -13.064 6.442 -3.118 1.00 0.00 C ATOM 0 H PHE A 497 -13.964 10.062 -3.852 1.00 0.00 H new ATOM 0 HA PHE A 497 -14.609 11.274 -1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 497 -11.735 10.965 -2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 497 -12.491 10.556 -0.734 1.00 0.00 H new ATOM 0 HD1 PHE A 497 -14.933 9.064 -2.015 1.00 0.00 H new ATOM 0 HD2 PHE A 497 -10.688 8.827 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 497 -15.170 6.710 -2.758 1.00 0.00 H new ATOM 0 HE2 PHE A 497 -10.928 6.477 -3.382 1.00 0.00 H new ATOM 0 HZ PHE A 497 -13.168 5.417 -3.442 1.00 0.00 H new ATOM 232 N ALA A 498 -12.839 13.141 -3.482 1.00 0.00 N ATOM 233 CA ALA A 498 -12.398 14.503 -3.770 1.00 0.00 C ATOM 234 C ALA A 498 -13.513 15.513 -3.501 1.00 0.00 C ATOM 235 O ALA A 498 -13.306 16.721 -3.622 1.00 0.00 O ATOM 236 CB ALA A 498 -11.959 14.608 -5.231 1.00 0.00 C ATOM 0 H ALA A 498 -12.628 12.468 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 498 -11.559 14.732 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 498 -11.631 15.626 -5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 498 -11.136 13.917 -5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 498 -12.796 14.356 -5.882 1.00 0.00 H new ATOM 242 N GLY A 499 -14.698 15.016 -3.166 1.00 0.00 N ATOM 243 CA GLY A 499 -15.836 15.891 -2.917 1.00 0.00 C ATOM 244 C GLY A 499 -15.454 17.086 -2.045 1.00 0.00 C ATOM 245 O GLY A 499 -15.701 18.229 -2.428 1.00 0.00 O ATOM 0 H GLY A 499 -14.895 14.021 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -16.235 16.247 -3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -16.630 15.325 -2.430 1.00 0.00 H new ATOM 249 N SER A 500 -14.853 16.836 -0.879 1.00 0.00 N ATOM 250 CA SER A 500 -14.462 17.944 -0.005 1.00 0.00 C ATOM 251 C SER A 500 -13.060 17.757 0.574 1.00 0.00 C ATOM 252 O SER A 500 -12.146 18.517 0.254 1.00 0.00 O ATOM 253 CB SER A 500 -15.465 18.072 1.142 1.00 0.00 C ATOM 254 OG SER A 500 -16.786 17.984 0.622 1.00 0.00 O ATOM 0 H SER A 500 -14.632 15.905 -0.526 1.00 0.00 H new ATOM 0 HA SER A 500 -14.456 18.850 -0.611 1.00 0.00 H new ATOM 0 HB2 SER A 500 -15.298 17.284 1.877 1.00 0.00 H new ATOM 0 HB3 SER A 500 -15.327 19.023 1.657 1.00 0.00 H new ATOM 0 HG SER A 500 -17.432 18.064 1.355 1.00 0.00 H new ATOM 260 N LYS A 501 -12.894 16.752 1.435 1.00 0.00 N ATOM 261 CA LYS A 501 -11.592 16.497 2.057 1.00 0.00 C ATOM 262 C LYS A 501 -11.084 15.093 1.736 1.00 0.00 C ATOM 263 O LYS A 501 -9.877 14.854 1.697 1.00 0.00 O ATOM 264 CB LYS A 501 -11.708 16.667 3.580 1.00 0.00 C ATOM 265 CG LYS A 501 -10.433 17.311 4.137 1.00 0.00 C ATOM 266 CD LYS A 501 -9.222 16.430 3.811 1.00 0.00 C ATOM 267 CE LYS A 501 -8.075 16.757 4.770 1.00 0.00 C ATOM 268 NZ LYS A 501 -7.985 18.232 4.952 1.00 0.00 N ATOM 0 H LYS A 501 -13.634 16.108 1.716 1.00 0.00 H new ATOM 0 HA LYS A 501 -10.878 17.215 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 501 -12.572 17.286 3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 501 -11.870 15.697 4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 501 -10.298 18.304 3.707 1.00 0.00 H new ATOM 0 HG3 LYS A 501 -10.521 17.440 5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 501 -9.492 15.377 3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 501 -8.906 16.595 2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 501 -8.241 16.271 5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 501 -7.135 16.371 4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 -7.034 18.483 5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 -8.164 18.705 4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 -8.693 18.540 5.649 1.00 0.00 H new ATOM 282 N ASN A 502 -12.006 14.162 1.520 1.00 0.00 N ATOM 283 CA ASN A 502 -11.626 12.785 1.225 1.00 0.00 C ATOM 284 C ASN A 502 -11.097 12.112 2.491 1.00 0.00 C ATOM 285 O ASN A 502 -10.416 11.090 2.427 1.00 0.00 O ATOM 286 CB ASN A 502 -10.539 12.754 0.139 1.00 0.00 C ATOM 287 CG ASN A 502 -10.702 13.936 -0.812 1.00 0.00 C ATOM 288 OD1 ASN A 502 -11.726 14.618 -0.793 1.00 0.00 O ATOM 289 ND2 ASN A 502 -9.740 14.225 -1.646 1.00 0.00 N ATOM 0 H ASN A 502 -13.011 14.332 1.543 1.00 0.00 H new ATOM 0 HA ASN A 502 -12.505 12.249 0.866 1.00 0.00 H new ATOM 0 HB2 ASN A 502 -9.553 12.785 0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 502 -10.600 11.819 -0.419 1.00 0.00 H new ATOM 0 HD21 ASN A 502 -9.837 15.016 -2.282 1.00 0.00 H new ATOM 0 HD22 ASN A 502 -8.891 13.659 -1.661 1.00 0.00 H new ATOM 296 N ASP A 503 -11.405 12.709 3.640 1.00 0.00 N ATOM 297 CA ASP A 503 -10.946 12.179 4.922 1.00 0.00 C ATOM 298 C ASP A 503 -11.789 10.987 5.369 1.00 0.00 C ATOM 299 O ASP A 503 -11.258 9.914 5.659 1.00 0.00 O ATOM 300 CB ASP A 503 -11.009 13.275 5.988 1.00 0.00 C ATOM 301 CG ASP A 503 -12.463 13.600 6.320 1.00 0.00 C ATOM 302 OD1 ASP A 503 -13.018 12.933 7.176 1.00 0.00 O ATOM 303 OD2 ASP A 503 -12.999 14.513 5.712 1.00 0.00 O ATOM 0 H ASP A 503 -11.968 13.557 3.710 1.00 0.00 H new ATOM 0 HA ASP A 503 -9.918 11.841 4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 503 -10.487 12.949 6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 503 -10.500 14.170 5.631 1.00 0.00 H new ATOM 308 N GLU A 504 -13.100 11.179 5.434 1.00 0.00 N ATOM 309 CA GLU A 504 -13.999 10.111 5.860 1.00 0.00 C ATOM 310 C GLU A 504 -13.644 8.806 5.158 1.00 0.00 C ATOM 311 O GLU A 504 -13.336 7.800 5.802 1.00 0.00 O ATOM 312 CB GLU A 504 -15.447 10.489 5.539 1.00 0.00 C ATOM 313 CG GLU A 504 -16.383 9.366 5.992 1.00 0.00 C ATOM 314 CD GLU A 504 -17.833 9.817 5.869 1.00 0.00 C ATOM 315 OE1 GLU A 504 -18.175 10.371 4.837 1.00 0.00 O ATOM 316 OE2 GLU A 504 -18.583 9.600 6.806 1.00 0.00 O ATOM 0 H GLU A 504 -13.563 12.057 5.199 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.890 9.974 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -15.710 11.420 6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -15.560 10.661 4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -16.217 8.476 5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -16.164 9.093 7.024 1.00 0.00 H new ATOM 323 N VAL A 505 -13.689 8.832 3.835 1.00 0.00 N ATOM 324 CA VAL A 505 -13.372 7.652 3.046 1.00 0.00 C ATOM 325 C VAL A 505 -11.987 7.124 3.418 1.00 0.00 C ATOM 326 O VAL A 505 -11.702 5.941 3.246 1.00 0.00 O ATOM 327 CB VAL A 505 -13.448 8.008 1.548 1.00 0.00 C ATOM 328 CG1 VAL A 505 -12.225 7.470 0.795 1.00 0.00 C ATOM 329 CG2 VAL A 505 -14.721 7.405 0.941 1.00 0.00 C ATOM 0 H VAL A 505 -13.941 9.654 3.287 1.00 0.00 H new ATOM 0 HA VAL A 505 -14.095 6.864 3.256 1.00 0.00 H new ATOM 0 HB VAL A 505 -13.467 9.094 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 505 -12.302 7.734 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 505 -11.319 7.908 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 505 -12.184 6.385 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 505 -14.774 7.657 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 505 -14.701 6.321 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 505 -15.595 7.807 1.454 1.00 0.00 H new ATOM 339 N LEU A 506 -11.134 8.005 3.931 1.00 0.00 N ATOM 340 CA LEU A 506 -9.784 7.609 4.324 1.00 0.00 C ATOM 341 C LEU A 506 -9.838 6.556 5.428 1.00 0.00 C ATOM 342 O LEU A 506 -9.233 5.490 5.314 1.00 0.00 O ATOM 343 CB LEU A 506 -9.004 8.839 4.814 1.00 0.00 C ATOM 344 CG LEU A 506 -7.502 8.664 4.553 1.00 0.00 C ATOM 345 CD1 LEU A 506 -7.012 7.367 5.199 1.00 0.00 C ATOM 346 CD2 LEU A 506 -7.230 8.622 3.041 1.00 0.00 C ATOM 0 H LEU A 506 -11.350 8.990 4.084 1.00 0.00 H new ATOM 0 HA LEU A 506 -9.278 7.182 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -9.366 9.732 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -9.179 8.987 5.880 1.00 0.00 H new ATOM 0 HG LEU A 506 -6.968 9.509 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -5.945 7.247 5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -7.189 7.406 6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -7.553 6.522 4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -6.161 8.498 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -7.770 7.785 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -7.566 9.553 2.585 1.00 0.00 H new ATOM 358 N GLY A 507 -10.563 6.865 6.498 1.00 0.00 N ATOM 359 CA GLY A 507 -10.686 5.941 7.618 1.00 0.00 C ATOM 360 C GLY A 507 -11.354 4.636 7.191 1.00 0.00 C ATOM 361 O GLY A 507 -11.170 3.599 7.827 1.00 0.00 O ATOM 0 H GLY A 507 -11.071 7.742 6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -9.698 5.729 8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -11.268 6.406 8.414 1.00 0.00 H new ATOM 365 N LEU A 508 -12.132 4.695 6.114 1.00 0.00 N ATOM 366 CA LEU A 508 -12.824 3.507 5.617 1.00 0.00 C ATOM 367 C LEU A 508 -11.930 2.709 4.665 1.00 0.00 C ATOM 368 O LEU A 508 -11.957 1.477 4.656 1.00 0.00 O ATOM 369 CB LEU A 508 -14.107 3.921 4.885 1.00 0.00 C ATOM 370 CG LEU A 508 -15.205 4.263 5.904 1.00 0.00 C ATOM 371 CD1 LEU A 508 -16.198 5.244 5.278 1.00 0.00 C ATOM 372 CD2 LEU A 508 -15.950 2.988 6.313 1.00 0.00 C ATOM 0 H LEU A 508 -12.299 5.543 5.572 1.00 0.00 H new ATOM 0 HA LEU A 508 -13.073 2.876 6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 508 -13.910 4.783 4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 508 -14.442 3.113 4.235 1.00 0.00 H new ATOM 0 HG LEU A 508 -14.746 4.714 6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 508 -16.976 5.486 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 508 -15.675 6.156 4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 508 -16.651 4.790 4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 508 -16.727 3.237 7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 508 -16.405 2.534 5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 508 -15.249 2.285 6.762 1.00 0.00 H new ATOM 384 N LEU A 509 -11.149 3.420 3.859 1.00 0.00 N ATOM 385 CA LEU A 509 -10.263 2.772 2.897 1.00 0.00 C ATOM 386 C LEU A 509 -9.198 1.942 3.609 1.00 0.00 C ATOM 387 O LEU A 509 -8.987 0.777 3.278 1.00 0.00 O ATOM 388 CB LEU A 509 -9.586 3.834 2.015 1.00 0.00 C ATOM 389 CG LEU A 509 -9.965 3.631 0.540 1.00 0.00 C ATOM 390 CD1 LEU A 509 -9.433 2.279 0.044 1.00 0.00 C ATOM 391 CD2 LEU A 509 -11.494 3.682 0.384 1.00 0.00 C ATOM 0 H LEU A 509 -11.111 4.439 3.852 1.00 0.00 H new ATOM 0 HA LEU A 509 -10.861 2.106 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -9.887 4.830 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -8.504 3.774 2.130 1.00 0.00 H new ATOM 0 HG LEU A 509 -9.519 4.427 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -9.706 2.142 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -8.348 2.257 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -9.867 1.476 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -11.758 3.538 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -11.948 2.893 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -11.862 4.651 0.721 1.00 0.00 H new ATOM 403 N LEU A 510 -8.524 2.551 4.578 1.00 0.00 N ATOM 404 CA LEU A 510 -7.477 1.857 5.318 1.00 0.00 C ATOM 405 C LEU A 510 -7.942 0.459 5.731 1.00 0.00 C ATOM 406 O LEU A 510 -7.398 -0.541 5.265 1.00 0.00 O ATOM 407 CB LEU A 510 -7.074 2.681 6.553 1.00 0.00 C ATOM 408 CG LEU A 510 -5.790 3.478 6.268 1.00 0.00 C ATOM 409 CD1 LEU A 510 -5.880 4.168 4.898 1.00 0.00 C ATOM 410 CD2 LEU A 510 -5.605 4.538 7.359 1.00 0.00 C ATOM 0 H LEU A 510 -8.682 3.516 4.868 1.00 0.00 H new ATOM 0 HA LEU A 510 -6.607 1.745 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 510 -7.881 3.363 6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 510 -6.918 2.019 7.405 1.00 0.00 H new ATOM 0 HG LEU A 510 -4.941 2.794 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 510 -4.963 4.728 4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 510 -6.011 3.416 4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 510 -6.730 4.850 4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 510 -4.696 5.107 7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 510 -6.462 5.212 7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 510 -5.525 4.050 8.330 1.00 0.00 H new ATOM 422 N PRO A 511 -8.928 0.366 6.587 1.00 0.00 N ATOM 423 CA PRO A 511 -9.455 -0.946 7.050 1.00 0.00 C ATOM 424 C PRO A 511 -9.681 -1.905 5.882 1.00 0.00 C ATOM 425 O PRO A 511 -9.394 -3.098 5.981 1.00 0.00 O ATOM 426 CB PRO A 511 -10.783 -0.612 7.754 1.00 0.00 C ATOM 427 CG PRO A 511 -10.970 0.876 7.656 1.00 0.00 C ATOM 428 CD PRO A 511 -9.643 1.486 7.203 1.00 0.00 C ATOM 0 HA PRO A 511 -8.752 -1.451 7.713 1.00 0.00 H new ATOM 0 HB2 PRO A 511 -11.613 -1.137 7.281 1.00 0.00 H new ATOM 0 HB3 PRO A 511 -10.757 -0.930 8.796 1.00 0.00 H new ATOM 0 HG2 PRO A 511 -11.762 1.115 6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 511 -11.270 1.287 8.620 1.00 0.00 H new ATOM 0 HD2 PRO A 511 -9.799 2.298 6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 511 -9.087 1.900 8.044 1.00 0.00 H new ATOM 436 N ILE A 512 -10.195 -1.373 4.776 1.00 0.00 N ATOM 437 CA ILE A 512 -10.452 -2.192 3.597 1.00 0.00 C ATOM 438 C ILE A 512 -9.163 -2.428 2.814 1.00 0.00 C ATOM 439 O ILE A 512 -9.064 -3.376 2.033 1.00 0.00 O ATOM 440 CB ILE A 512 -11.477 -1.503 2.693 1.00 0.00 C ATOM 441 CG1 ILE A 512 -12.811 -1.382 3.434 1.00 0.00 C ATOM 442 CG2 ILE A 512 -11.675 -2.330 1.421 1.00 0.00 C ATOM 443 CD1 ILE A 512 -13.759 -0.481 2.638 1.00 0.00 C ATOM 0 H ILE A 512 -10.439 -0.388 4.672 1.00 0.00 H new ATOM 0 HA ILE A 512 -10.845 -3.153 3.928 1.00 0.00 H new ATOM 0 HB ILE A 512 -11.116 -0.509 2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -13.256 -2.368 3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -12.650 -0.968 4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 512 -12.405 -1.839 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -10.726 -2.417 0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -12.035 -3.324 1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -14.709 -0.395 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -13.314 0.508 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 512 -13.930 -0.913 1.652 1.00 0.00 H new ATOM 455 N ALA A 513 -8.181 -1.558 3.023 1.00 0.00 N ATOM 456 CA ALA A 513 -6.903 -1.674 2.328 1.00 0.00 C ATOM 457 C ALA A 513 -5.960 -2.603 3.082 1.00 0.00 C ATOM 458 O ALA A 513 -4.954 -3.058 2.539 1.00 0.00 O ATOM 459 CB ALA A 513 -6.260 -0.293 2.190 1.00 0.00 C ATOM 0 H ALA A 513 -8.244 -0.768 3.665 1.00 0.00 H new ATOM 0 HA ALA A 513 -7.087 -2.092 1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 513 -5.306 -0.386 1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 513 -6.921 0.361 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 513 -6.094 0.132 3.180 1.00 0.00 H new ATOM 465 N ALA A 514 -6.289 -2.881 4.340 1.00 0.00 N ATOM 466 CA ALA A 514 -5.460 -3.757 5.159 1.00 0.00 C ATOM 467 C ALA A 514 -5.772 -5.220 4.862 1.00 0.00 C ATOM 468 O ALA A 514 -5.179 -6.123 5.453 1.00 0.00 O ATOM 469 CB ALA A 514 -5.705 -3.469 6.641 1.00 0.00 C ATOM 0 H ALA A 514 -7.117 -2.516 4.811 1.00 0.00 H new ATOM 0 HA ALA A 514 -4.414 -3.566 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -5.082 -4.127 7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -5.453 -2.431 6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -6.755 -3.644 6.877 1.00 0.00 H new ATOM 475 N SER A 515 -6.702 -5.447 3.939 1.00 0.00 N ATOM 476 CA SER A 515 -7.083 -6.805 3.566 1.00 0.00 C ATOM 477 C SER A 515 -7.190 -7.693 4.803 1.00 0.00 C ATOM 478 O SER A 515 -6.501 -8.707 4.911 1.00 0.00 O ATOM 479 CB SER A 515 -6.050 -7.391 2.603 1.00 0.00 C ATOM 480 OG SER A 515 -6.328 -8.770 2.401 1.00 0.00 O ATOM 0 H SER A 515 -7.203 -4.713 3.438 1.00 0.00 H new ATOM 0 HA SER A 515 -8.056 -6.767 3.076 1.00 0.00 H new ATOM 0 HB2 SER A 515 -6.079 -6.859 1.652 1.00 0.00 H new ATOM 0 HB3 SER A 515 -5.046 -7.266 3.008 1.00 0.00 H new ATOM 0 HG SER A 515 -7.276 -8.884 2.181 1.00 0.00 H new ATOM 486 N THR A 516 -8.060 -7.306 5.731 1.00 0.00 N ATOM 487 CA THR A 516 -8.248 -8.078 6.954 1.00 0.00 C ATOM 488 C THR A 516 -8.847 -9.443 6.635 1.00 0.00 C ATOM 489 O THR A 516 -8.493 -10.447 7.254 1.00 0.00 O ATOM 490 CB THR A 516 -9.172 -7.322 7.912 1.00 0.00 C ATOM 491 OG1 THR A 516 -10.373 -6.978 7.236 1.00 0.00 O ATOM 492 CG2 THR A 516 -8.475 -6.050 8.397 1.00 0.00 C ATOM 0 H THR A 516 -8.641 -6.470 5.661 1.00 0.00 H new ATOM 0 HA THR A 516 -7.276 -8.221 7.427 1.00 0.00 H new ATOM 0 HB THR A 516 -9.405 -7.955 8.768 1.00 0.00 H new ATOM 0 HG1 THR A 516 -11.029 -7.697 7.348 1.00 0.00 H new ATOM 0 HG21 THR A 516 -9.133 -5.512 9.079 1.00 0.00 H new ATOM 0 HG22 THR A 516 -7.554 -6.315 8.915 1.00 0.00 H new ATOM 0 HG23 THR A 516 -8.241 -5.415 7.543 1.00 0.00 H new ATOM 500 N ASP A 517 -9.758 -9.473 5.667 1.00 0.00 N ATOM 501 CA ASP A 517 -10.401 -10.722 5.273 1.00 0.00 C ATOM 502 C ASP A 517 -10.712 -10.722 3.777 1.00 0.00 C ATOM 503 O ASP A 517 -11.401 -11.613 3.281 1.00 0.00 O ATOM 504 CB ASP A 517 -11.698 -10.911 6.063 1.00 0.00 C ATOM 505 CG ASP A 517 -11.429 -10.749 7.554 1.00 0.00 C ATOM 506 OD1 ASP A 517 -10.807 -11.632 8.123 1.00 0.00 O ATOM 507 OD2 ASP A 517 -11.848 -9.745 8.107 1.00 0.00 O ATOM 0 H ASP A 517 -10.066 -8.653 5.144 1.00 0.00 H new ATOM 0 HA ASP A 517 -9.717 -11.543 5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 517 -12.441 -10.182 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 517 -12.113 -11.899 5.865 1.00 0.00 H new ATOM 512 N LEU A 518 -10.200 -9.720 3.066 1.00 0.00 N ATOM 513 CA LEU A 518 -10.428 -9.617 1.624 1.00 0.00 C ATOM 514 C LEU A 518 -9.132 -9.903 0.865 1.00 0.00 C ATOM 515 O LEU A 518 -8.085 -10.124 1.474 1.00 0.00 O ATOM 516 CB LEU A 518 -10.945 -8.211 1.253 1.00 0.00 C ATOM 517 CG LEU A 518 -11.259 -7.400 2.517 1.00 0.00 C ATOM 518 CD1 LEU A 518 -11.493 -5.937 2.134 1.00 0.00 C ATOM 519 CD2 LEU A 518 -12.519 -7.957 3.187 1.00 0.00 C ATOM 0 H LEU A 518 -9.629 -8.972 3.460 1.00 0.00 H new ATOM 0 HA LEU A 518 -11.181 -10.353 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -10.198 -7.689 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -11.841 -8.298 0.638 1.00 0.00 H new ATOM 0 HG LEU A 518 -10.420 -7.469 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -11.716 -5.358 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -10.597 -5.538 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -12.332 -5.872 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -12.740 -7.379 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -13.359 -7.889 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -12.356 -9.000 3.458 1.00 0.00 H new ATOM 531 N PRO A 519 -9.182 -9.898 -0.444 1.00 0.00 N ATOM 532 CA PRO A 519 -7.987 -10.156 -1.294 1.00 0.00 C ATOM 533 C PRO A 519 -7.072 -8.934 -1.367 1.00 0.00 C ATOM 534 O PRO A 519 -7.526 -7.800 -1.217 1.00 0.00 O ATOM 535 CB PRO A 519 -8.571 -10.492 -2.682 1.00 0.00 C ATOM 536 CG PRO A 519 -10.066 -10.410 -2.554 1.00 0.00 C ATOM 537 CD PRO A 519 -10.368 -9.649 -1.264 1.00 0.00 C ATOM 0 HA PRO A 519 -7.368 -10.959 -0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 519 -8.208 -9.792 -3.434 1.00 0.00 H new ATOM 0 HB3 PRO A 519 -8.264 -11.488 -3.000 1.00 0.00 H new ATOM 0 HG2 PRO A 519 -10.498 -9.897 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 519 -10.505 -11.407 -2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 519 -10.514 -8.585 -1.449 1.00 0.00 H new ATOM 0 HD3 PRO A 519 -11.275 -10.016 -0.783 1.00 0.00 H new ATOM 545 N ILE A 520 -5.786 -9.172 -1.598 1.00 0.00 N ATOM 546 CA ILE A 520 -4.825 -8.080 -1.688 1.00 0.00 C ATOM 547 C ILE A 520 -5.015 -7.307 -2.990 1.00 0.00 C ATOM 548 O ILE A 520 -4.705 -6.118 -3.069 1.00 0.00 O ATOM 549 CB ILE A 520 -3.398 -8.627 -1.621 1.00 0.00 C ATOM 550 CG1 ILE A 520 -3.216 -9.712 -2.686 1.00 0.00 C ATOM 551 CG2 ILE A 520 -3.146 -9.227 -0.235 1.00 0.00 C ATOM 552 CD1 ILE A 520 -1.741 -10.113 -2.762 1.00 0.00 C ATOM 0 H ILE A 520 -5.388 -10.102 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 520 -4.992 -7.406 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 520 -2.691 -7.818 -1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 520 -3.828 -10.581 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 520 -3.554 -9.345 -3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 520 -2.129 -9.617 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -3.275 -8.456 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 520 -3.854 -10.036 -0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 520 -1.613 -10.885 -3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 520 -1.140 -9.242 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 520 -1.418 -10.497 -1.794 1.00 0.00 H new ATOM 564 N GLU A 521 -5.525 -7.991 -4.010 1.00 0.00 N ATOM 565 CA GLU A 521 -5.751 -7.358 -5.305 1.00 0.00 C ATOM 566 C GLU A 521 -6.777 -6.236 -5.182 1.00 0.00 C ATOM 567 O GLU A 521 -6.466 -5.069 -5.420 1.00 0.00 O ATOM 568 CB GLU A 521 -6.247 -8.395 -6.315 1.00 0.00 C ATOM 569 CG GLU A 521 -5.177 -9.471 -6.509 1.00 0.00 C ATOM 570 CD GLU A 521 -5.675 -10.530 -7.487 1.00 0.00 C ATOM 571 OE1 GLU A 521 -6.298 -10.158 -8.467 1.00 0.00 O ATOM 572 OE2 GLU A 521 -5.426 -11.699 -7.240 1.00 0.00 O ATOM 0 H GLU A 521 -5.788 -8.976 -3.966 1.00 0.00 H new ATOM 0 HA GLU A 521 -4.807 -6.936 -5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 521 -7.173 -8.848 -5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 521 -6.470 -7.913 -7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 521 -4.259 -9.019 -6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 521 -4.936 -9.933 -5.552 1.00 0.00 H new ATOM 579 N THR A 522 -8.002 -6.597 -4.809 1.00 0.00 N ATOM 580 CA THR A 522 -9.065 -5.609 -4.658 1.00 0.00 C ATOM 581 C THR A 522 -8.598 -4.450 -3.782 1.00 0.00 C ATOM 582 O THR A 522 -8.930 -3.293 -4.039 1.00 0.00 O ATOM 583 CB THR A 522 -10.299 -6.261 -4.031 1.00 0.00 C ATOM 584 OG1 THR A 522 -10.580 -7.482 -4.702 1.00 0.00 O ATOM 585 CG2 THR A 522 -11.497 -5.319 -4.159 1.00 0.00 C ATOM 0 H THR A 522 -8.281 -7.557 -4.608 1.00 0.00 H new ATOM 0 HA THR A 522 -9.321 -5.224 -5.645 1.00 0.00 H new ATOM 0 HB THR A 522 -10.108 -6.461 -2.977 1.00 0.00 H new ATOM 0 HG1 THR A 522 -11.369 -7.902 -4.300 1.00 0.00 H new ATOM 0 HG21 THR A 522 -12.375 -5.785 -3.712 1.00 0.00 H new ATOM 0 HG22 THR A 522 -11.281 -4.383 -3.644 1.00 0.00 H new ATOM 0 HG23 THR A 522 -11.690 -5.117 -5.213 1.00 0.00 H new ATOM 593 N ALA A 523 -7.825 -4.769 -2.750 1.00 0.00 N ATOM 594 CA ALA A 523 -7.316 -3.746 -1.845 1.00 0.00 C ATOM 595 C ALA A 523 -6.278 -2.876 -2.548 1.00 0.00 C ATOM 596 O ALA A 523 -6.058 -1.726 -2.169 1.00 0.00 O ATOM 597 CB ALA A 523 -6.687 -4.403 -0.615 1.00 0.00 C ATOM 0 H ALA A 523 -7.539 -5.721 -2.520 1.00 0.00 H new ATOM 0 HA ALA A 523 -8.149 -3.116 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 523 -6.309 -3.632 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 523 -7.438 -4.999 -0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 523 -5.865 -5.047 -0.927 1.00 0.00 H new ATOM 603 N ALA A 524 -5.646 -3.434 -3.575 1.00 0.00 N ATOM 604 CA ALA A 524 -4.634 -2.699 -4.326 1.00 0.00 C ATOM 605 C ALA A 524 -5.287 -1.634 -5.202 1.00 0.00 C ATOM 606 O ALA A 524 -4.908 -0.463 -5.157 1.00 0.00 O ATOM 607 CB ALA A 524 -3.833 -3.663 -5.204 1.00 0.00 C ATOM 0 H ALA A 524 -5.814 -4.384 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 524 -3.964 -2.211 -3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 524 -3.080 -3.107 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 524 -3.344 -4.407 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 524 -4.505 -4.163 -5.902 1.00 0.00 H new ATOM 613 N MET A 525 -6.269 -2.048 -5.995 1.00 0.00 N ATOM 614 CA MET A 525 -6.967 -1.119 -6.875 1.00 0.00 C ATOM 615 C MET A 525 -7.510 0.061 -6.077 1.00 0.00 C ATOM 616 O MET A 525 -7.447 1.207 -6.522 1.00 0.00 O ATOM 617 CB MET A 525 -8.120 -1.834 -7.586 1.00 0.00 C ATOM 618 CG MET A 525 -7.673 -3.235 -8.005 1.00 0.00 C ATOM 619 SD MET A 525 -6.078 -3.131 -8.854 1.00 0.00 S ATOM 620 CE MET A 525 -6.173 -4.724 -9.707 1.00 0.00 C ATOM 0 H MET A 525 -6.597 -3.012 -6.047 1.00 0.00 H new ATOM 0 HA MET A 525 -6.261 -0.749 -7.618 1.00 0.00 H new ATOM 0 HB2 MET A 525 -8.984 -1.899 -6.925 1.00 0.00 H new ATOM 0 HB3 MET A 525 -8.431 -1.263 -8.461 1.00 0.00 H new ATOM 0 HG2 MET A 525 -7.590 -3.879 -7.129 1.00 0.00 H new ATOM 0 HG3 MET A 525 -8.418 -3.685 -8.662 1.00 0.00 H new ATOM 0 HE1 MET A 525 -5.273 -4.872 -10.304 1.00 0.00 H new ATOM 0 HE2 MET A 525 -6.257 -5.525 -8.973 1.00 0.00 H new ATOM 0 HE3 MET A 525 -7.046 -4.736 -10.359 1.00 0.00 H new ATOM 630 N ALA A 526 -8.044 -0.228 -4.895 1.00 0.00 N ATOM 631 CA ALA A 526 -8.595 0.816 -4.039 1.00 0.00 C ATOM 632 C ALA A 526 -7.474 1.673 -3.456 1.00 0.00 C ATOM 633 O ALA A 526 -7.631 2.881 -3.278 1.00 0.00 O ATOM 634 CB ALA A 526 -9.408 0.186 -2.905 1.00 0.00 C ATOM 0 H ALA A 526 -8.107 -1.170 -4.510 1.00 0.00 H new ATOM 0 HA ALA A 526 -9.247 1.451 -4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 526 -9.816 0.972 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 526 -10.224 -0.402 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 526 -8.763 -0.462 -2.311 1.00 0.00 H new ATOM 640 N SER A 527 -6.344 1.037 -3.161 1.00 0.00 N ATOM 641 CA SER A 527 -5.201 1.750 -2.597 1.00 0.00 C ATOM 642 C SER A 527 -4.617 2.718 -3.621 1.00 0.00 C ATOM 643 O SER A 527 -4.301 3.863 -3.297 1.00 0.00 O ATOM 644 CB SER A 527 -4.126 0.752 -2.166 1.00 0.00 C ATOM 645 OG SER A 527 -2.983 1.463 -1.709 1.00 0.00 O ATOM 0 H SER A 527 -6.195 0.038 -3.301 1.00 0.00 H new ATOM 0 HA SER A 527 -5.540 2.316 -1.730 1.00 0.00 H new ATOM 0 HB2 SER A 527 -4.508 0.107 -1.375 1.00 0.00 H new ATOM 0 HB3 SER A 527 -3.857 0.106 -3.002 1.00 0.00 H new ATOM 0 HG SER A 527 -2.292 0.827 -1.430 1.00 0.00 H new ATOM 651 N LEU A 528 -4.475 2.249 -4.856 1.00 0.00 N ATOM 652 CA LEU A 528 -3.927 3.081 -5.922 1.00 0.00 C ATOM 653 C LEU A 528 -4.754 4.351 -6.091 1.00 0.00 C ATOM 654 O LEU A 528 -4.216 5.457 -6.093 1.00 0.00 O ATOM 655 CB LEU A 528 -3.914 2.295 -7.238 1.00 0.00 C ATOM 656 CG LEU A 528 -3.287 3.150 -8.355 1.00 0.00 C ATOM 657 CD1 LEU A 528 -2.372 2.279 -9.221 1.00 0.00 C ATOM 658 CD2 LEU A 528 -4.390 3.746 -9.236 1.00 0.00 C ATOM 0 H LEU A 528 -4.730 1.304 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 528 -2.908 3.361 -5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 528 -3.348 1.372 -7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 528 -4.930 2.012 -7.512 1.00 0.00 H new ATOM 0 HG LEU A 528 -2.708 3.954 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 528 -1.930 2.888 -10.010 1.00 0.00 H new ATOM 0 HD12 LEU A 528 -1.580 1.856 -8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 528 -2.953 1.472 -9.667 1.00 0.00 H new ATOM 0 HD21 LEU A 528 -3.940 4.350 -10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 528 -4.973 2.941 -9.684 1.00 0.00 H new ATOM 0 HD23 LEU A 528 -5.043 4.372 -8.628 1.00 0.00 H new ATOM 670 N ALA A 529 -6.064 4.181 -6.235 1.00 0.00 N ATOM 671 CA ALA A 529 -6.959 5.320 -6.408 1.00 0.00 C ATOM 672 C ALA A 529 -6.774 6.326 -5.276 1.00 0.00 C ATOM 673 O ALA A 529 -6.944 7.530 -5.469 1.00 0.00 O ATOM 674 CB ALA A 529 -8.411 4.842 -6.436 1.00 0.00 C ATOM 0 H ALA A 529 -6.527 3.272 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 529 -6.718 5.807 -7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 529 -9.073 5.698 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 529 -8.549 4.147 -7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 529 -8.647 4.339 -5.498 1.00 0.00 H new ATOM 680 N LEU A 530 -6.430 5.825 -4.094 1.00 0.00 N ATOM 681 CA LEU A 530 -6.228 6.691 -2.937 1.00 0.00 C ATOM 682 C LEU A 530 -5.053 7.637 -3.178 1.00 0.00 C ATOM 683 O LEU A 530 -5.173 8.849 -2.992 1.00 0.00 O ATOM 684 CB LEU A 530 -5.967 5.835 -1.687 1.00 0.00 C ATOM 685 CG LEU A 530 -6.867 6.292 -0.532 1.00 0.00 C ATOM 686 CD1 LEU A 530 -6.757 5.296 0.623 1.00 0.00 C ATOM 687 CD2 LEU A 530 -6.427 7.679 -0.052 1.00 0.00 C ATOM 0 H LEU A 530 -6.286 4.832 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 530 -7.127 7.287 -2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -6.156 4.785 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -4.920 5.915 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 530 -7.900 6.340 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -7.396 5.620 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -7.073 4.309 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -5.723 5.248 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -7.069 8.001 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -5.394 7.634 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -6.506 8.390 -0.874 1.00 0.00 H new ATOM 699 N ALA A 531 -3.921 7.077 -3.590 1.00 0.00 N ATOM 700 CA ALA A 531 -2.733 7.882 -3.849 1.00 0.00 C ATOM 701 C ALA A 531 -3.055 9.019 -4.814 1.00 0.00 C ATOM 702 O ALA A 531 -2.610 10.151 -4.624 1.00 0.00 O ATOM 703 CB ALA A 531 -1.629 7.005 -4.440 1.00 0.00 C ATOM 0 H ALA A 531 -3.801 6.077 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 531 -2.393 8.309 -2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 531 -0.745 7.613 -4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 531 -1.379 6.211 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 531 -1.975 6.565 -5.375 1.00 0.00 H new ATOM 709 N HIS A 532 -3.829 8.710 -5.851 1.00 0.00 N ATOM 710 CA HIS A 532 -4.201 9.714 -6.843 1.00 0.00 C ATOM 711 C HIS A 532 -4.929 10.883 -6.185 1.00 0.00 C ATOM 712 O HIS A 532 -4.748 12.036 -6.575 1.00 0.00 O ATOM 713 CB HIS A 532 -5.102 9.086 -7.909 1.00 0.00 C ATOM 714 CG HIS A 532 -4.281 8.202 -8.808 1.00 0.00 C ATOM 715 ND1 HIS A 532 -2.899 8.280 -8.861 1.00 0.00 N ATOM 716 CD2 HIS A 532 -4.634 7.216 -9.697 1.00 0.00 C ATOM 717 CE1 HIS A 532 -2.473 7.366 -9.753 1.00 0.00 C ATOM 718 NE2 HIS A 532 -3.492 6.689 -10.292 1.00 0.00 N ATOM 0 H HIS A 532 -4.208 7.779 -6.026 1.00 0.00 H new ATOM 0 HA HIS A 532 -3.289 10.088 -7.309 1.00 0.00 H new ATOM 0 HB2 HIS A 532 -5.893 8.505 -7.435 1.00 0.00 H new ATOM 0 HB3 HIS A 532 -5.588 9.867 -8.495 1.00 0.00 H new ATOM 0 HD2 HIS A 532 -5.645 6.898 -9.903 1.00 0.00 H new ATOM 0 HE1 HIS A 532 -1.435 7.200 -10.003 1.00 0.00 H new ATOM 0 HE2 HIS A 532 -3.443 5.946 -10.989 1.00 0.00 H new ATOM 726 N VAL A 533 -5.756 10.580 -5.188 1.00 0.00 N ATOM 727 CA VAL A 533 -6.506 11.620 -4.491 1.00 0.00 C ATOM 728 C VAL A 533 -5.598 12.400 -3.547 1.00 0.00 C ATOM 729 O VAL A 533 -5.359 13.592 -3.743 1.00 0.00 O ATOM 730 CB VAL A 533 -7.651 10.990 -3.693 1.00 0.00 C ATOM 731 CG1 VAL A 533 -8.360 12.073 -2.876 1.00 0.00 C ATOM 732 CG2 VAL A 533 -8.652 10.344 -4.654 1.00 0.00 C ATOM 0 H VAL A 533 -5.923 9.633 -4.847 1.00 0.00 H new ATOM 0 HA VAL A 533 -6.912 12.307 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 533 -7.248 10.231 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 533 -9.175 11.625 -2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 533 -7.650 12.534 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 533 -8.760 12.832 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 533 -9.466 9.896 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 533 -9.054 11.103 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 533 -8.150 9.572 -5.238 1.00 0.00 H new ATOM 742 N PHE A 534 -5.099 11.721 -2.519 1.00 0.00 N ATOM 743 CA PHE A 534 -4.222 12.359 -1.545 1.00 0.00 C ATOM 744 C PHE A 534 -2.946 12.866 -2.213 1.00 0.00 C ATOM 745 O PHE A 534 -2.070 13.422 -1.551 1.00 0.00 O ATOM 746 CB PHE A 534 -3.869 11.364 -0.428 1.00 0.00 C ATOM 747 CG PHE A 534 -4.790 11.577 0.753 1.00 0.00 C ATOM 748 CD1 PHE A 534 -6.154 11.281 0.639 1.00 0.00 C ATOM 749 CD2 PHE A 534 -4.281 12.074 1.959 1.00 0.00 C ATOM 750 CE1 PHE A 534 -7.007 11.481 1.731 1.00 0.00 C ATOM 751 CE2 PHE A 534 -5.135 12.273 3.051 1.00 0.00 C ATOM 752 CZ PHE A 534 -6.498 11.976 2.936 1.00 0.00 C ATOM 0 H PHE A 534 -5.286 10.734 -2.340 1.00 0.00 H new ATOM 0 HA PHE A 534 -4.747 13.212 -1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 534 -3.963 10.342 -0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 534 -2.832 11.499 -0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 534 -6.548 10.899 -0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 534 -3.229 12.304 2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 534 -8.059 11.253 1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 534 -4.742 12.655 3.981 1.00 0.00 H new ATOM 0 HZ PHE A 534 -7.157 12.129 3.778 1.00 0.00 H new ATOM 762 N VAL A 535 -2.845 12.673 -3.524 1.00 0.00 N ATOM 763 CA VAL A 535 -1.665 13.119 -4.257 1.00 0.00 C ATOM 764 C VAL A 535 -1.349 14.571 -3.910 1.00 0.00 C ATOM 765 O VAL A 535 -0.239 15.048 -4.145 1.00 0.00 O ATOM 766 CB VAL A 535 -1.901 12.994 -5.764 1.00 0.00 C ATOM 767 CG1 VAL A 535 -2.970 13.997 -6.202 1.00 0.00 C ATOM 768 CG2 VAL A 535 -0.596 13.285 -6.508 1.00 0.00 C ATOM 0 H VAL A 535 -3.556 12.217 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 535 -0.822 12.490 -3.973 1.00 0.00 H new ATOM 0 HB VAL A 535 -2.237 11.983 -5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 535 -3.136 13.906 -7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 535 -3.900 13.792 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 535 -2.636 15.009 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 535 -0.762 13.197 -7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 535 -0.262 14.296 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 535 0.166 12.570 -6.198 1.00 0.00 H new ATOM 778 N GLY A 536 -2.333 15.264 -3.343 1.00 0.00 N ATOM 779 CA GLY A 536 -2.155 16.661 -2.956 1.00 0.00 C ATOM 780 C GLY A 536 -1.914 16.776 -1.456 1.00 0.00 C ATOM 781 O GLY A 536 -1.051 17.533 -1.012 1.00 0.00 O ATOM 0 H GLY A 536 -3.258 14.883 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 536 -1.313 17.090 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -3.039 17.236 -3.233 1.00 0.00 H new ATOM 785 N THR A 537 -2.684 16.017 -0.680 1.00 0.00 N ATOM 786 CA THR A 537 -2.548 16.035 0.773 1.00 0.00 C ATOM 787 C THR A 537 -1.543 14.981 1.225 1.00 0.00 C ATOM 788 O THR A 537 -1.014 14.225 0.410 1.00 0.00 O ATOM 789 CB THR A 537 -3.906 15.763 1.427 1.00 0.00 C ATOM 790 OG1 THR A 537 -4.517 14.646 0.797 1.00 0.00 O ATOM 791 CG2 THR A 537 -4.803 16.992 1.275 1.00 0.00 C ATOM 0 H THR A 537 -3.404 15.386 -1.031 1.00 0.00 H new ATOM 0 HA THR A 537 -2.190 17.019 1.077 1.00 0.00 H new ATOM 0 HB THR A 537 -3.764 15.550 2.486 1.00 0.00 H new ATOM 0 HG1 THR A 537 -4.680 13.944 1.462 1.00 0.00 H new ATOM 0 HG21 THR A 537 -5.769 16.797 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 537 -4.333 17.848 1.759 1.00 0.00 H new ATOM 0 HG23 THR A 537 -4.948 17.208 0.216 1.00 0.00 H new ATOM 799 N CYS A 538 -1.287 14.936 2.529 1.00 0.00 N ATOM 800 CA CYS A 538 -0.342 13.970 3.085 1.00 0.00 C ATOM 801 C CYS A 538 -0.959 13.245 4.276 1.00 0.00 C ATOM 802 O CYS A 538 -1.867 13.761 4.926 1.00 0.00 O ATOM 803 CB CYS A 538 0.936 14.684 3.527 1.00 0.00 C ATOM 804 SG CYS A 538 1.844 15.254 2.069 1.00 0.00 S ATOM 0 H CYS A 538 -1.717 15.553 3.218 1.00 0.00 H new ATOM 0 HA CYS A 538 -0.101 13.240 2.313 1.00 0.00 H new ATOM 0 HB2 CYS A 538 0.689 15.530 4.169 1.00 0.00 H new ATOM 0 HB3 CYS A 538 1.558 14.009 4.115 1.00 0.00 H new ATOM 0 HG CYS A 538 2.929 15.863 2.444 1.00 0.00 H new ATOM 810 N ASN A 539 -0.458 12.045 4.556 1.00 0.00 N ATOM 811 CA ASN A 539 -0.967 11.254 5.672 1.00 0.00 C ATOM 812 C ASN A 539 -0.162 9.963 5.812 1.00 0.00 C ATOM 813 O ASN A 539 -0.133 9.137 4.900 1.00 0.00 O ATOM 814 CB ASN A 539 -2.452 10.927 5.446 1.00 0.00 C ATOM 815 CG ASN A 539 -3.322 11.653 6.471 1.00 0.00 C ATOM 816 OD1 ASN A 539 -4.322 11.106 6.934 1.00 0.00 O ATOM 817 ND2 ASN A 539 -2.998 12.857 6.855 1.00 0.00 N ATOM 0 H ASN A 539 0.295 11.602 4.030 1.00 0.00 H new ATOM 0 HA ASN A 539 -0.866 11.832 6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 539 -2.746 11.220 4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 539 -2.609 9.851 5.524 1.00 0.00 H new ATOM 0 HD21 ASN A 539 -3.574 13.346 7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 539 -2.169 13.309 6.470 1.00 0.00 H new ATOM 824 N GLY A 540 0.490 9.799 6.959 1.00 0.00 N ATOM 825 CA GLY A 540 1.295 8.607 7.205 1.00 0.00 C ATOM 826 C GLY A 540 0.411 7.387 7.443 1.00 0.00 C ATOM 827 O GLY A 540 0.784 6.264 7.103 1.00 0.00 O ATOM 0 H GLY A 540 0.478 10.470 7.727 1.00 0.00 H new ATOM 0 HA2 GLY A 540 1.950 8.425 6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 540 1.936 8.770 8.071 1.00 0.00 H new ATOM 831 N ASP A 541 -0.760 7.613 8.029 1.00 0.00 N ATOM 832 CA ASP A 541 -1.685 6.520 8.306 1.00 0.00 C ATOM 833 C ASP A 541 -1.821 5.611 7.087 1.00 0.00 C ATOM 834 O ASP A 541 -1.828 4.385 7.210 1.00 0.00 O ATOM 835 CB ASP A 541 -3.059 7.085 8.689 1.00 0.00 C ATOM 836 CG ASP A 541 -3.792 6.111 9.608 1.00 0.00 C ATOM 837 OD1 ASP A 541 -3.694 4.918 9.372 1.00 0.00 O ATOM 838 OD2 ASP A 541 -4.437 6.573 10.535 1.00 0.00 O ATOM 0 H ASP A 541 -1.089 8.534 8.319 1.00 0.00 H new ATOM 0 HA ASP A 541 -1.291 5.933 9.136 1.00 0.00 H new ATOM 0 HB2 ASP A 541 -2.939 8.047 9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 541 -3.650 7.264 7.791 1.00 0.00 H new ATOM 843 N ILE A 542 -1.928 6.220 5.910 1.00 0.00 N ATOM 844 CA ILE A 542 -2.064 5.458 4.674 1.00 0.00 C ATOM 845 C ILE A 542 -0.898 4.485 4.511 1.00 0.00 C ATOM 846 O ILE A 542 -1.039 3.433 3.889 1.00 0.00 O ATOM 847 CB ILE A 542 -2.110 6.410 3.478 1.00 0.00 C ATOM 848 CG1 ILE A 542 -3.270 7.393 3.655 1.00 0.00 C ATOM 849 CG2 ILE A 542 -2.313 5.608 2.191 1.00 0.00 C ATOM 850 CD1 ILE A 542 -3.110 8.555 2.673 1.00 0.00 C ATOM 0 H ILE A 542 -1.923 7.232 5.786 1.00 0.00 H new ATOM 0 HA ILE A 542 -2.992 4.888 4.720 1.00 0.00 H new ATOM 0 HB ILE A 542 -1.171 6.960 3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 542 -4.219 6.886 3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 542 -3.290 7.768 4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 542 -2.346 6.288 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 542 -1.487 4.908 2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 542 -3.251 5.056 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 542 -3.936 9.255 2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 542 -2.168 9.068 2.866 1.00 0.00 H new ATOM 0 HD13 ILE A 542 -3.112 8.172 1.653 1.00 0.00 H new ATOM 862 N THR A 543 0.250 4.845 5.073 1.00 0.00 N ATOM 863 CA THR A 543 1.433 3.996 4.981 1.00 0.00 C ATOM 864 C THR A 543 1.355 2.851 5.987 1.00 0.00 C ATOM 865 O THR A 543 1.882 1.765 5.747 1.00 0.00 O ATOM 866 CB THR A 543 2.694 4.822 5.243 1.00 0.00 C ATOM 867 OG1 THR A 543 2.723 5.933 4.357 1.00 0.00 O ATOM 868 CG2 THR A 543 3.931 3.953 5.017 1.00 0.00 C ATOM 0 H THR A 543 0.387 5.712 5.593 1.00 0.00 H new ATOM 0 HA THR A 543 1.476 3.578 3.975 1.00 0.00 H new ATOM 0 HB THR A 543 2.688 5.179 6.273 1.00 0.00 H new ATOM 0 HG1 THR A 543 3.530 6.464 4.524 1.00 0.00 H new ATOM 0 HG21 THR A 543 4.829 4.542 5.204 1.00 0.00 H new ATOM 0 HG22 THR A 543 3.907 3.102 5.698 1.00 0.00 H new ATOM 0 HG23 THR A 543 3.940 3.594 3.988 1.00 0.00 H new ATOM 876 N THR A 544 0.693 3.101 7.113 1.00 0.00 N ATOM 877 CA THR A 544 0.554 2.080 8.147 1.00 0.00 C ATOM 878 C THR A 544 -0.180 0.864 7.594 1.00 0.00 C ATOM 879 O THR A 544 0.309 -0.261 7.686 1.00 0.00 O ATOM 880 CB THR A 544 -0.211 2.641 9.349 1.00 0.00 C ATOM 881 OG1 THR A 544 -1.558 2.896 8.975 1.00 0.00 O ATOM 882 CG2 THR A 544 0.448 3.939 9.818 1.00 0.00 C ATOM 0 H THR A 544 0.248 3.992 7.332 1.00 0.00 H new ATOM 0 HA THR A 544 1.551 1.778 8.469 1.00 0.00 H new ATOM 0 HB THR A 544 -0.192 1.915 10.162 1.00 0.00 H new ATOM 0 HG1 THR A 544 -1.576 3.531 8.229 1.00 0.00 H new ATOM 0 HG21 THR A 544 -0.098 4.336 10.673 1.00 0.00 H new ATOM 0 HG22 THR A 544 1.480 3.739 10.107 1.00 0.00 H new ATOM 0 HG23 THR A 544 0.433 4.668 9.008 1.00 0.00 H new ATOM 890 N SER A 545 -1.352 1.100 7.013 1.00 0.00 N ATOM 891 CA SER A 545 -2.136 0.011 6.441 1.00 0.00 C ATOM 892 C SER A 545 -1.355 -0.653 5.316 1.00 0.00 C ATOM 893 O SER A 545 -1.200 -1.874 5.285 1.00 0.00 O ATOM 894 CB SER A 545 -3.460 0.543 5.899 1.00 0.00 C ATOM 895 OG SER A 545 -4.003 -0.398 4.983 1.00 0.00 O ATOM 0 H SER A 545 -1.776 2.024 6.926 1.00 0.00 H new ATOM 0 HA SER A 545 -2.340 -0.722 7.222 1.00 0.00 H new ATOM 0 HB2 SER A 545 -4.158 0.716 6.718 1.00 0.00 H new ATOM 0 HB3 SER A 545 -3.305 1.502 5.404 1.00 0.00 H new ATOM 0 HG SER A 545 -4.981 -0.343 4.999 1.00 0.00 H new ATOM 901 N ILE A 546 -0.856 0.168 4.400 1.00 0.00 N ATOM 902 CA ILE A 546 -0.080 -0.336 3.276 1.00 0.00 C ATOM 903 C ILE A 546 1.093 -1.170 3.792 1.00 0.00 C ATOM 904 O ILE A 546 1.484 -2.157 3.171 1.00 0.00 O ATOM 905 CB ILE A 546 0.421 0.849 2.432 1.00 0.00 C ATOM 906 CG1 ILE A 546 -0.542 1.088 1.263 1.00 0.00 C ATOM 907 CG2 ILE A 546 1.823 0.566 1.882 1.00 0.00 C ATOM 908 CD1 ILE A 546 -0.221 2.430 0.602 1.00 0.00 C ATOM 0 H ILE A 546 -0.975 1.181 4.414 1.00 0.00 H new ATOM 0 HA ILE A 546 -0.705 -0.973 2.650 1.00 0.00 H new ATOM 0 HB ILE A 546 0.464 1.734 3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 546 -0.454 0.282 0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 546 -1.572 1.084 1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 546 2.159 1.416 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 546 2.513 0.406 2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 546 1.795 -0.326 1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 546 -0.906 2.599 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 546 -0.332 3.231 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 546 0.804 2.417 0.231 1.00 0.00 H new ATOM 920 N MET A 547 1.641 -0.767 4.935 1.00 0.00 N ATOM 921 CA MET A 547 2.762 -1.488 5.526 1.00 0.00 C ATOM 922 C MET A 547 2.295 -2.831 6.078 1.00 0.00 C ATOM 923 O MET A 547 3.045 -3.806 6.084 1.00 0.00 O ATOM 924 CB MET A 547 3.385 -0.659 6.652 1.00 0.00 C ATOM 925 CG MET A 547 4.625 -1.376 7.188 1.00 0.00 C ATOM 926 SD MET A 547 5.517 -0.279 8.318 1.00 0.00 S ATOM 927 CE MET A 547 6.565 0.521 7.077 1.00 0.00 C ATOM 0 H MET A 547 1.330 0.047 5.465 1.00 0.00 H new ATOM 0 HA MET A 547 3.509 -1.662 4.752 1.00 0.00 H new ATOM 0 HB2 MET A 547 3.655 0.330 6.283 1.00 0.00 H new ATOM 0 HB3 MET A 547 2.661 -0.513 7.454 1.00 0.00 H new ATOM 0 HG2 MET A 547 4.334 -2.290 7.706 1.00 0.00 H new ATOM 0 HG3 MET A 547 5.273 -1.670 6.362 1.00 0.00 H new ATOM 0 HE1 MET A 547 7.211 1.252 7.563 1.00 0.00 H new ATOM 0 HE2 MET A 547 7.178 -0.231 6.579 1.00 0.00 H new ATOM 0 HE3 MET A 547 5.938 1.024 6.341 1.00 0.00 H new ATOM 937 N ASP A 548 1.048 -2.872 6.538 1.00 0.00 N ATOM 938 CA ASP A 548 0.488 -4.102 7.085 1.00 0.00 C ATOM 939 C ASP A 548 0.484 -5.199 6.026 1.00 0.00 C ATOM 940 O ASP A 548 0.714 -6.370 6.329 1.00 0.00 O ATOM 941 CB ASP A 548 -0.941 -3.856 7.575 1.00 0.00 C ATOM 942 CG ASP A 548 -1.396 -5.014 8.456 1.00 0.00 C ATOM 943 OD1 ASP A 548 -0.761 -5.245 9.472 1.00 0.00 O ATOM 944 OD2 ASP A 548 -2.373 -5.653 8.103 1.00 0.00 O ATOM 0 H ASP A 548 0.411 -2.075 6.543 1.00 0.00 H new ATOM 0 HA ASP A 548 1.106 -4.421 7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 548 -0.987 -2.922 8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 548 -1.613 -3.750 6.724 1.00 0.00 H new ATOM 949 N ASN A 549 0.224 -4.809 4.782 1.00 0.00 N ATOM 950 CA ASN A 549 0.197 -5.765 3.682 1.00 0.00 C ATOM 951 C ASN A 549 1.614 -6.203 3.328 1.00 0.00 C ATOM 952 O ASN A 549 1.888 -7.393 3.174 1.00 0.00 O ATOM 953 CB ASN A 549 -0.467 -5.134 2.457 1.00 0.00 C ATOM 954 CG ASN A 549 -1.779 -4.468 2.858 1.00 0.00 C ATOM 955 OD1 ASN A 549 -1.781 -3.531 3.655 1.00 0.00 O ATOM 956 ND2 ASN A 549 -2.901 -4.898 2.349 1.00 0.00 N ATOM 0 H ASN A 549 0.030 -3.845 4.512 1.00 0.00 H new ATOM 0 HA ASN A 549 -0.377 -6.638 3.993 1.00 0.00 H new ATOM 0 HB2 ASN A 549 0.202 -4.398 2.010 1.00 0.00 H new ATOM 0 HB3 ASN A 549 -0.653 -5.897 1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 549 -3.782 -4.457 2.612 1.00 0.00 H new ATOM 0 HD22 ASN A 549 -2.897 -5.675 1.688 1.00 0.00 H new ATOM 963 N PHE A 550 2.514 -5.231 3.203 1.00 0.00 N ATOM 964 CA PHE A 550 3.903 -5.526 2.872 1.00 0.00 C ATOM 965 C PHE A 550 4.427 -6.657 3.752 1.00 0.00 C ATOM 966 O PHE A 550 5.278 -7.441 3.333 1.00 0.00 O ATOM 967 CB PHE A 550 4.766 -4.272 3.073 1.00 0.00 C ATOM 968 CG PHE A 550 4.886 -3.516 1.768 1.00 0.00 C ATOM 969 CD1 PHE A 550 5.634 -4.056 0.715 1.00 0.00 C ATOM 970 CD2 PHE A 550 4.254 -2.276 1.614 1.00 0.00 C ATOM 971 CE1 PHE A 550 5.749 -3.357 -0.493 1.00 0.00 C ATOM 972 CE2 PHE A 550 4.369 -1.578 0.406 1.00 0.00 C ATOM 973 CZ PHE A 550 5.116 -2.118 -0.647 1.00 0.00 C ATOM 0 H PHE A 550 2.307 -4.240 3.325 1.00 0.00 H new ATOM 0 HA PHE A 550 3.956 -5.836 1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 550 4.321 -3.632 3.835 1.00 0.00 H new ATOM 0 HB3 PHE A 550 5.756 -4.554 3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 550 6.122 -5.012 0.834 1.00 0.00 H new ATOM 0 HD2 PHE A 550 3.678 -1.858 2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 550 6.326 -3.774 -1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 550 3.881 -0.622 0.287 1.00 0.00 H new ATOM 0 HZ PHE A 550 5.204 -1.579 -1.579 1.00 0.00 H new ATOM 983 N LEU A 551 3.912 -6.734 4.975 1.00 0.00 N ATOM 984 CA LEU A 551 4.335 -7.773 5.907 1.00 0.00 C ATOM 985 C LEU A 551 3.612 -9.082 5.610 1.00 0.00 C ATOM 986 O LEU A 551 4.192 -10.162 5.728 1.00 0.00 O ATOM 987 CB LEU A 551 4.034 -7.341 7.345 1.00 0.00 C ATOM 988 CG LEU A 551 4.917 -6.144 7.727 1.00 0.00 C ATOM 989 CD1 LEU A 551 4.265 -5.378 8.880 1.00 0.00 C ATOM 990 CD2 LEU A 551 6.300 -6.634 8.168 1.00 0.00 C ATOM 0 H LEU A 551 3.207 -6.095 5.342 1.00 0.00 H new ATOM 0 HA LEU A 551 5.408 -7.925 5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 551 2.982 -7.073 7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 551 4.215 -8.170 8.029 1.00 0.00 H new ATOM 0 HG LEU A 551 5.024 -5.490 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 551 4.891 -4.528 9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 551 3.283 -5.021 8.570 1.00 0.00 H new ATOM 0 HD13 LEU A 551 4.156 -6.039 9.740 1.00 0.00 H new ATOM 0 HD21 LEU A 551 6.920 -5.779 8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 551 6.195 -7.292 9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 551 6.770 -7.180 7.350 1.00 0.00 H new ATOM 1002 N GLU A 552 2.345 -8.979 5.224 1.00 0.00 N ATOM 1003 CA GLU A 552 1.554 -10.162 4.912 1.00 0.00 C ATOM 1004 C GLU A 552 2.153 -10.898 3.717 1.00 0.00 C ATOM 1005 O GLU A 552 2.477 -12.083 3.805 1.00 0.00 O ATOM 1006 CB GLU A 552 0.111 -9.755 4.600 1.00 0.00 C ATOM 1007 CG GLU A 552 -0.813 -10.963 4.771 1.00 0.00 C ATOM 1008 CD GLU A 552 -2.232 -10.598 4.346 1.00 0.00 C ATOM 1009 OE1 GLU A 552 -2.917 -9.959 5.127 1.00 0.00 O ATOM 1010 OE2 GLU A 552 -2.613 -10.966 3.247 1.00 0.00 O ATOM 0 H GLU A 552 1.847 -8.095 5.120 1.00 0.00 H new ATOM 0 HA GLU A 552 1.562 -10.827 5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 552 -0.201 -8.949 5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 552 0.042 -9.374 3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 552 -0.449 -11.798 4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 552 -0.809 -11.290 5.811 1.00 0.00 H new ATOM 1017 N ARG A 553 2.304 -10.179 2.606 1.00 0.00 N ATOM 1018 CA ARG A 553 2.873 -10.753 1.385 1.00 0.00 C ATOM 1019 C ARG A 553 2.616 -12.257 1.302 1.00 0.00 C ATOM 1020 O ARG A 553 3.490 -13.062 1.626 1.00 0.00 O ATOM 1021 CB ARG A 553 4.383 -10.491 1.346 1.00 0.00 C ATOM 1022 CG ARG A 553 4.649 -9.030 0.955 1.00 0.00 C ATOM 1023 CD ARG A 553 4.707 -8.903 -0.570 1.00 0.00 C ATOM 1024 NE ARG A 553 6.015 -9.322 -1.062 1.00 0.00 N ATOM 1025 CZ ARG A 553 6.152 -9.879 -2.262 1.00 0.00 C ATOM 1026 NH1 ARG A 553 6.216 -9.127 -3.327 1.00 0.00 N ATOM 1027 NH2 ARG A 553 6.223 -11.177 -2.375 1.00 0.00 N ATOM 0 H ARG A 553 2.040 -9.197 2.525 1.00 0.00 H new ATOM 0 HA ARG A 553 2.389 -10.277 0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 553 4.823 -10.702 2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 553 4.859 -11.161 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 553 3.863 -8.389 1.353 1.00 0.00 H new ATOM 0 HG3 ARG A 553 5.588 -8.692 1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 553 3.927 -9.515 -1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 553 4.513 -7.871 -0.864 1.00 0.00 H new ATOM 0 HE ARG A 553 6.838 -9.185 -0.476 1.00 0.00 H new ATOM 0 HH11 ARG A 553 6.161 -8.112 -3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 553 6.321 -9.554 -4.247 1.00 0.00 H new ATOM 0 HH21 ARG A 553 6.173 -11.765 -1.543 1.00 0.00 H new ATOM 0 HH22 ARG A 553 6.328 -11.604 -3.295 1.00 0.00 H new ATOM 1041 N THR A 554 1.418 -12.629 0.860 1.00 0.00 N ATOM 1042 CA THR A 554 1.066 -14.039 0.731 1.00 0.00 C ATOM 1043 C THR A 554 1.405 -14.542 -0.668 1.00 0.00 C ATOM 1044 O THR A 554 1.335 -13.793 -1.640 1.00 0.00 O ATOM 1045 CB THR A 554 -0.434 -14.230 1.000 1.00 0.00 C ATOM 1046 OG1 THR A 554 -1.143 -13.092 0.532 1.00 0.00 O ATOM 1047 CG2 THR A 554 -0.674 -14.399 2.503 1.00 0.00 C ATOM 0 H THR A 554 0.680 -11.980 0.587 1.00 0.00 H new ATOM 0 HA THR A 554 1.639 -14.611 1.461 1.00 0.00 H new ATOM 0 HB THR A 554 -0.784 -15.121 0.479 1.00 0.00 H new ATOM 0 HG1 THR A 554 -2.101 -13.211 0.701 1.00 0.00 H new ATOM 0 HG21 THR A 554 -1.740 -14.534 2.688 1.00 0.00 H new ATOM 0 HG22 THR A 554 -0.130 -15.272 2.862 1.00 0.00 H new ATOM 0 HG23 THR A 554 -0.324 -13.511 3.029 1.00 0.00 H new ATOM 1055 N ALA A 555 1.770 -15.817 -0.764 1.00 0.00 N ATOM 1056 CA ALA A 555 2.112 -16.405 -2.053 1.00 0.00 C ATOM 1057 C ALA A 555 0.961 -16.220 -3.038 1.00 0.00 C ATOM 1058 O ALA A 555 1.050 -16.612 -4.200 1.00 0.00 O ATOM 1059 CB ALA A 555 2.412 -17.896 -1.886 1.00 0.00 C ATOM 0 H ALA A 555 1.836 -16.457 0.028 1.00 0.00 H new ATOM 0 HA ALA A 555 2.998 -15.902 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 555 2.666 -18.327 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 555 3.250 -18.024 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 555 1.534 -18.401 -1.484 1.00 0.00 H new ATOM 1065 N ILE A 556 -0.117 -15.618 -2.552 1.00 0.00 N ATOM 1066 CA ILE A 556 -1.295 -15.372 -3.373 1.00 0.00 C ATOM 1067 C ILE A 556 -0.994 -14.308 -4.433 1.00 0.00 C ATOM 1068 O ILE A 556 -1.687 -14.217 -5.447 1.00 0.00 O ATOM 1069 CB ILE A 556 -2.457 -14.930 -2.456 1.00 0.00 C ATOM 1070 CG1 ILE A 556 -3.542 -16.013 -2.428 1.00 0.00 C ATOM 1071 CG2 ILE A 556 -3.076 -13.613 -2.940 1.00 0.00 C ATOM 1072 CD1 ILE A 556 -4.478 -15.763 -1.242 1.00 0.00 C ATOM 0 H ILE A 556 -0.200 -15.290 -1.590 1.00 0.00 H new ATOM 0 HA ILE A 556 -1.579 -16.285 -3.896 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.053 -14.780 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -4.107 -16.002 -3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -3.085 -16.999 -2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -3.891 -13.328 -2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -2.316 -12.832 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -3.462 -13.742 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -5.250 -16.532 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -3.907 -15.796 -0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -4.944 -14.783 -1.347 1.00 0.00 H new ATOM 1084 N GLU A 557 0.038 -13.504 -4.190 1.00 0.00 N ATOM 1085 CA GLU A 557 0.410 -12.450 -5.130 1.00 0.00 C ATOM 1086 C GLU A 557 1.046 -13.037 -6.388 1.00 0.00 C ATOM 1087 O GLU A 557 1.039 -12.408 -7.446 1.00 0.00 O ATOM 1088 CB GLU A 557 1.388 -11.473 -4.470 1.00 0.00 C ATOM 1089 CG GLU A 557 2.619 -12.234 -3.944 1.00 0.00 C ATOM 1090 CD GLU A 557 3.901 -11.528 -4.375 1.00 0.00 C ATOM 1091 OE1 GLU A 557 4.012 -10.339 -4.127 1.00 0.00 O ATOM 1092 OE2 GLU A 557 4.754 -12.189 -4.947 1.00 0.00 O ATOM 0 H GLU A 557 0.626 -13.561 -3.359 1.00 0.00 H new ATOM 0 HA GLU A 557 -0.498 -11.919 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 557 1.699 -10.715 -5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 557 0.895 -10.951 -3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 557 2.579 -12.298 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 557 2.613 -13.256 -4.324 1.00 0.00 H new ATOM 1099 N LEU A 558 1.597 -14.242 -6.270 1.00 0.00 N ATOM 1100 CA LEU A 558 2.235 -14.889 -7.413 1.00 0.00 C ATOM 1101 C LEU A 558 1.333 -14.807 -8.642 1.00 0.00 C ATOM 1102 O LEU A 558 1.810 -14.624 -9.761 1.00 0.00 O ATOM 1103 CB LEU A 558 2.534 -16.362 -7.090 1.00 0.00 C ATOM 1104 CG LEU A 558 3.916 -16.491 -6.433 1.00 0.00 C ATOM 1105 CD1 LEU A 558 5.021 -16.157 -7.449 1.00 0.00 C ATOM 1106 CD2 LEU A 558 4.008 -15.535 -5.239 1.00 0.00 C ATOM 0 H LEU A 558 1.615 -14.785 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 558 3.171 -14.371 -7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 558 1.768 -16.758 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 558 2.501 -16.956 -8.003 1.00 0.00 H new ATOM 0 HG LEU A 558 4.051 -17.517 -6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 558 5.996 -16.252 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 558 4.961 -16.846 -8.291 1.00 0.00 H new ATOM 0 HD13 LEU A 558 4.890 -15.135 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 558 4.989 -15.628 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 558 3.864 -14.510 -5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 558 3.236 -15.786 -4.511 1.00 0.00 H new ATOM 1118 N LYS A 559 0.028 -14.945 -8.426 1.00 0.00 N ATOM 1119 CA LYS A 559 -0.927 -14.882 -9.527 1.00 0.00 C ATOM 1120 C LYS A 559 -0.760 -13.582 -10.305 1.00 0.00 C ATOM 1121 O LYS A 559 -0.412 -13.595 -11.485 1.00 0.00 O ATOM 1122 CB LYS A 559 -2.356 -14.976 -8.987 1.00 0.00 C ATOM 1123 CG LYS A 559 -2.465 -16.167 -8.033 1.00 0.00 C ATOM 1124 CD LYS A 559 -3.939 -16.474 -7.763 1.00 0.00 C ATOM 1125 CE LYS A 559 -4.051 -17.479 -6.615 1.00 0.00 C ATOM 1126 NZ LYS A 559 -5.440 -18.016 -6.558 1.00 0.00 N ATOM 0 H LYS A 559 -0.389 -15.100 -7.508 1.00 0.00 H new ATOM 0 HA LYS A 559 -0.737 -15.721 -10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 559 -2.621 -14.055 -8.467 1.00 0.00 H new ATOM 0 HB3 LYS A 559 -3.060 -15.091 -9.811 1.00 0.00 H new ATOM 0 HG2 LYS A 559 -1.975 -17.039 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 559 -1.952 -15.945 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 559 -4.472 -15.557 -7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 559 -4.407 -16.878 -8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 559 -3.341 -18.293 -6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 559 -3.797 -16.998 -5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 -5.516 -18.699 -5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 -6.108 -17.235 -6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 -5.666 -18.489 -7.456 1.00 0.00 H new ATOM 1140 N THR A 560 -1.010 -12.462 -9.634 1.00 0.00 N ATOM 1141 CA THR A 560 -0.884 -11.154 -10.270 1.00 0.00 C ATOM 1142 C THR A 560 0.510 -10.578 -10.036 1.00 0.00 C ATOM 1143 O THR A 560 1.446 -11.307 -9.709 1.00 0.00 O ATOM 1144 CB THR A 560 -1.935 -10.196 -9.705 1.00 0.00 C ATOM 1145 OG1 THR A 560 -1.719 -10.025 -8.311 1.00 0.00 O ATOM 1146 CG2 THR A 560 -3.332 -10.773 -9.939 1.00 0.00 C ATOM 0 H THR A 560 -1.299 -12.433 -8.656 1.00 0.00 H new ATOM 0 HA THR A 560 -1.041 -11.274 -11.342 1.00 0.00 H new ATOM 0 HB THR A 560 -1.854 -9.231 -10.206 1.00 0.00 H new ATOM 0 HG1 THR A 560 -2.391 -9.410 -7.949 1.00 0.00 H new ATOM 0 HG21 THR A 560 -4.080 -10.090 -9.536 1.00 0.00 H new ATOM 0 HG22 THR A 560 -3.498 -10.903 -11.009 1.00 0.00 H new ATOM 0 HG23 THR A 560 -3.415 -11.738 -9.439 1.00 0.00 H new ATOM 1154 N ASP A 561 0.639 -9.265 -10.206 1.00 0.00 N ATOM 1155 CA ASP A 561 1.922 -8.597 -10.010 1.00 0.00 C ATOM 1156 C ASP A 561 1.722 -7.251 -9.322 1.00 0.00 C ATOM 1157 O ASP A 561 2.374 -6.264 -9.661 1.00 0.00 O ATOM 1158 CB ASP A 561 2.610 -8.385 -11.361 1.00 0.00 C ATOM 1159 CG ASP A 561 2.898 -9.730 -12.017 1.00 0.00 C ATOM 1160 OD1 ASP A 561 3.854 -10.372 -11.613 1.00 0.00 O ATOM 1161 OD2 ASP A 561 2.158 -10.101 -12.914 1.00 0.00 O ATOM 0 H ASP A 561 -0.125 -8.646 -10.477 1.00 0.00 H new ATOM 0 HA ASP A 561 2.548 -9.227 -9.378 1.00 0.00 H new ATOM 0 HB2 ASP A 561 1.975 -7.783 -12.011 1.00 0.00 H new ATOM 0 HB3 ASP A 561 3.539 -7.833 -11.222 1.00 0.00 H new ATOM 1166 N TRP A 562 0.813 -7.222 -8.353 1.00 0.00 N ATOM 1167 CA TRP A 562 0.528 -5.994 -7.619 1.00 0.00 C ATOM 1168 C TRP A 562 1.810 -5.402 -7.037 1.00 0.00 C ATOM 1169 O TRP A 562 1.895 -4.198 -6.799 1.00 0.00 O ATOM 1170 CB TRP A 562 -0.470 -6.281 -6.493 1.00 0.00 C ATOM 1171 CG TRP A 562 0.213 -7.016 -5.382 1.00 0.00 C ATOM 1172 CD1 TRP A 562 1.000 -8.107 -5.536 1.00 0.00 C ATOM 1173 CD2 TRP A 562 0.183 -6.732 -3.953 1.00 0.00 C ATOM 1174 NE1 TRP A 562 1.455 -8.508 -4.293 1.00 0.00 N ATOM 1175 CE2 TRP A 562 0.979 -7.693 -3.286 1.00 0.00 C ATOM 1176 CE3 TRP A 562 -0.450 -5.744 -3.180 1.00 0.00 C ATOM 1177 CZ2 TRP A 562 1.140 -7.674 -1.900 1.00 0.00 C ATOM 1178 CZ3 TRP A 562 -0.291 -5.722 -1.785 1.00 0.00 C ATOM 1179 CH2 TRP A 562 0.503 -6.685 -1.146 1.00 0.00 C ATOM 0 H TRP A 562 0.264 -8.030 -8.059 1.00 0.00 H new ATOM 0 HA TRP A 562 0.096 -5.270 -8.310 1.00 0.00 H new ATOM 0 HB2 TRP A 562 -0.888 -5.347 -6.119 1.00 0.00 H new ATOM 0 HB3 TRP A 562 -1.302 -6.873 -6.875 1.00 0.00 H new ATOM 0 HD1 TRP A 562 1.234 -8.586 -6.475 1.00 0.00 H new ATOM 0 HE1 TRP A 562 2.068 -9.309 -4.139 1.00 0.00 H new ATOM 0 HE3 TRP A 562 -1.063 -4.997 -3.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 562 1.753 -8.419 -1.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 562 -0.783 -4.959 -1.201 1.00 0.00 H new ATOM 0 HH2 TRP A 562 0.622 -6.662 -0.073 1.00 0.00 H new ATOM 1190 N VAL A 563 2.801 -6.257 -6.807 1.00 0.00 N ATOM 1191 CA VAL A 563 4.071 -5.808 -6.248 1.00 0.00 C ATOM 1192 C VAL A 563 4.574 -4.566 -6.980 1.00 0.00 C ATOM 1193 O VAL A 563 5.119 -3.649 -6.364 1.00 0.00 O ATOM 1194 CB VAL A 563 5.111 -6.926 -6.353 1.00 0.00 C ATOM 1195 CG1 VAL A 563 5.503 -7.128 -7.819 1.00 0.00 C ATOM 1196 CG2 VAL A 563 6.352 -6.546 -5.541 1.00 0.00 C ATOM 0 H VAL A 563 2.750 -7.258 -6.997 1.00 0.00 H new ATOM 0 HA VAL A 563 3.915 -5.555 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 563 4.688 -7.851 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 563 6.244 -7.924 -7.891 1.00 0.00 H new ATOM 0 HG12 VAL A 563 4.620 -7.400 -8.398 1.00 0.00 H new ATOM 0 HG13 VAL A 563 5.925 -6.204 -8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 563 7.093 -7.342 -5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 563 6.773 -5.620 -5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 563 6.074 -6.405 -4.496 1.00 0.00 H new ATOM 1206 N ARG A 564 4.392 -4.544 -8.296 1.00 0.00 N ATOM 1207 CA ARG A 564 4.836 -3.410 -9.099 1.00 0.00 C ATOM 1208 C ARG A 564 4.107 -2.136 -8.683 1.00 0.00 C ATOM 1209 O ARG A 564 4.737 -1.136 -8.337 1.00 0.00 O ATOM 1210 CB ARG A 564 4.575 -3.686 -10.584 1.00 0.00 C ATOM 1211 CG ARG A 564 5.506 -4.803 -11.078 1.00 0.00 C ATOM 1212 CD ARG A 564 6.831 -4.204 -11.557 1.00 0.00 C ATOM 1213 NE ARG A 564 7.845 -5.248 -11.673 1.00 0.00 N ATOM 1214 CZ ARG A 564 9.130 -4.992 -11.440 1.00 0.00 C ATOM 1215 NH1 ARG A 564 9.725 -4.017 -12.071 1.00 0.00 N ATOM 1216 NH2 ARG A 564 9.794 -5.715 -10.581 1.00 0.00 N ATOM 0 H ARG A 564 3.944 -5.292 -8.826 1.00 0.00 H new ATOM 0 HA ARG A 564 5.905 -3.273 -8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 564 3.535 -3.975 -10.732 1.00 0.00 H new ATOM 0 HB3 ARG A 564 4.739 -2.779 -11.166 1.00 0.00 H new ATOM 0 HG2 ARG A 564 5.689 -5.517 -10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 564 5.030 -5.352 -11.891 1.00 0.00 H new ATOM 0 HD2 ARG A 564 6.690 -3.716 -12.521 1.00 0.00 H new ATOM 0 HD3 ARG A 564 7.166 -3.438 -10.858 1.00 0.00 H new ATOM 0 HE ARG A 564 7.563 -6.192 -11.938 1.00 0.00 H new ATOM 0 HH11 ARG A 564 9.205 -3.452 -12.742 1.00 0.00 H new ATOM 0 HH12 ARG A 564 10.710 -3.820 -11.893 1.00 0.00 H new ATOM 0 HH21 ARG A 564 9.328 -6.477 -10.088 1.00 0.00 H new ATOM 0 HH22 ARG A 564 10.779 -5.519 -10.403 1.00 0.00 H new ATOM 1230 N PHE A 565 2.780 -2.176 -8.722 1.00 0.00 N ATOM 1231 CA PHE A 565 1.980 -1.014 -8.347 1.00 0.00 C ATOM 1232 C PHE A 565 2.263 -0.608 -6.904 1.00 0.00 C ATOM 1233 O PHE A 565 2.018 0.533 -6.512 1.00 0.00 O ATOM 1234 CB PHE A 565 0.490 -1.331 -8.512 1.00 0.00 C ATOM 1235 CG PHE A 565 0.112 -1.248 -9.973 1.00 0.00 C ATOM 1236 CD1 PHE A 565 -0.033 0.002 -10.588 1.00 0.00 C ATOM 1237 CD2 PHE A 565 -0.095 -2.418 -10.712 1.00 0.00 C ATOM 1238 CE1 PHE A 565 -0.384 0.081 -11.941 1.00 0.00 C ATOM 1239 CE2 PHE A 565 -0.446 -2.340 -12.066 1.00 0.00 C ATOM 1240 CZ PHE A 565 -0.591 -1.090 -12.680 1.00 0.00 C ATOM 0 H PHE A 565 2.238 -2.992 -9.007 1.00 0.00 H new ATOM 0 HA PHE A 565 2.249 -0.185 -9.001 1.00 0.00 H new ATOM 0 HB2 PHE A 565 0.275 -2.328 -8.127 1.00 0.00 H new ATOM 0 HB3 PHE A 565 -0.108 -0.629 -7.931 1.00 0.00 H new ATOM 0 HD1 PHE A 565 0.126 0.906 -10.018 1.00 0.00 H new ATOM 0 HD2 PHE A 565 0.016 -3.382 -10.238 1.00 0.00 H new ATOM 0 HE1 PHE A 565 -0.495 1.045 -12.415 1.00 0.00 H new ATOM 0 HE2 PHE A 565 -0.605 -3.244 -12.636 1.00 0.00 H new ATOM 0 HZ PHE A 565 -0.862 -1.029 -13.724 1.00 0.00 H new ATOM 1250 N LEU A 566 2.781 -1.547 -6.118 1.00 0.00 N ATOM 1251 CA LEU A 566 3.093 -1.272 -4.720 1.00 0.00 C ATOM 1252 C LEU A 566 4.395 -0.480 -4.614 1.00 0.00 C ATOM 1253 O LEU A 566 4.636 0.208 -3.621 1.00 0.00 O ATOM 1254 CB LEU A 566 3.219 -2.597 -3.945 1.00 0.00 C ATOM 1255 CG LEU A 566 2.165 -2.664 -2.831 1.00 0.00 C ATOM 1256 CD1 LEU A 566 0.765 -2.800 -3.441 1.00 0.00 C ATOM 1257 CD2 LEU A 566 2.448 -3.875 -1.937 1.00 0.00 C ATOM 0 H LEU A 566 2.992 -2.497 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 566 2.287 -0.679 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 566 3.092 -3.438 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 566 4.217 -2.682 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 566 2.211 -1.749 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 566 0.024 -2.847 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 566 0.560 -1.939 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.715 -3.711 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 566 1.701 -3.925 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 566 2.405 -4.786 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 566 3.439 -3.777 -1.495 1.00 0.00 H new ATOM 1269 N ALA A 567 5.231 -0.583 -5.643 1.00 0.00 N ATOM 1270 CA ALA A 567 6.506 0.127 -5.656 1.00 0.00 C ATOM 1271 C ALA A 567 6.317 1.569 -6.117 1.00 0.00 C ATOM 1272 O ALA A 567 6.912 2.492 -5.560 1.00 0.00 O ATOM 1273 CB ALA A 567 7.486 -0.583 -6.591 1.00 0.00 C ATOM 0 H ALA A 567 5.051 -1.147 -6.473 1.00 0.00 H new ATOM 0 HA ALA A 567 6.906 0.133 -4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 567 8.436 -0.048 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 567 7.646 -1.604 -6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 567 7.076 -0.604 -7.601 1.00 0.00 H new ATOM 1279 N LEU A 568 5.486 1.757 -7.137 1.00 0.00 N ATOM 1280 CA LEU A 568 5.228 3.092 -7.665 1.00 0.00 C ATOM 1281 C LEU A 568 4.391 3.907 -6.683 1.00 0.00 C ATOM 1282 O LEU A 568 4.476 5.135 -6.653 1.00 0.00 O ATOM 1283 CB LEU A 568 4.493 2.990 -9.008 1.00 0.00 C ATOM 1284 CG LEU A 568 5.493 2.697 -10.134 1.00 0.00 C ATOM 1285 CD1 LEU A 568 6.381 3.925 -10.388 1.00 0.00 C ATOM 1286 CD2 LEU A 568 6.370 1.503 -9.740 1.00 0.00 C ATOM 0 H LEU A 568 4.983 1.008 -7.612 1.00 0.00 H new ATOM 0 HA LEU A 568 6.184 3.595 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 568 3.743 2.200 -8.962 1.00 0.00 H new ATOM 0 HB3 LEU A 568 3.964 3.920 -9.214 1.00 0.00 H new ATOM 0 HG LEU A 568 4.943 2.464 -11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 568 7.086 3.704 -11.189 1.00 0.00 H new ATOM 0 HD12 LEU A 568 5.758 4.771 -10.676 1.00 0.00 H new ATOM 0 HD13 LEU A 568 6.930 4.171 -9.479 1.00 0.00 H new ATOM 0 HD21 LEU A 568 7.081 1.294 -10.540 1.00 0.00 H new ATOM 0 HD22 LEU A 568 6.913 1.737 -8.824 1.00 0.00 H new ATOM 0 HD23 LEU A 568 5.741 0.628 -9.576 1.00 0.00 H new ATOM 1298 N ALA A 569 3.584 3.219 -5.883 1.00 0.00 N ATOM 1299 CA ALA A 569 2.737 3.896 -4.906 1.00 0.00 C ATOM 1300 C ALA A 569 3.563 4.358 -3.709 1.00 0.00 C ATOM 1301 O ALA A 569 3.411 5.484 -3.236 1.00 0.00 O ATOM 1302 CB ALA A 569 1.628 2.955 -4.432 1.00 0.00 C ATOM 0 H ALA A 569 3.498 2.203 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 569 2.291 4.768 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 569 1.001 3.469 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 569 1.020 2.652 -5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 569 2.072 2.073 -3.971 1.00 0.00 H new ATOM 1308 N LEU A 570 4.438 3.482 -3.225 1.00 0.00 N ATOM 1309 CA LEU A 570 5.281 3.814 -2.082 1.00 0.00 C ATOM 1310 C LEU A 570 6.435 4.713 -2.516 1.00 0.00 C ATOM 1311 O LEU A 570 7.032 5.413 -1.699 1.00 0.00 O ATOM 1312 CB LEU A 570 5.834 2.534 -1.450 1.00 0.00 C ATOM 1313 CG LEU A 570 6.361 2.832 -0.041 1.00 0.00 C ATOM 1314 CD1 LEU A 570 5.194 2.936 0.949 1.00 0.00 C ATOM 1315 CD2 LEU A 570 7.298 1.703 0.398 1.00 0.00 C ATOM 0 H LEU A 570 4.581 2.545 -3.602 1.00 0.00 H new ATOM 0 HA LEU A 570 4.676 4.346 -1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 570 5.053 1.775 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 570 6.635 2.129 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 570 6.901 3.779 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 570 5.580 3.148 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 570 4.526 3.740 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 570 4.645 1.994 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 570 7.675 1.911 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 570 6.753 0.759 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 570 8.135 1.634 -0.297 1.00 0.00 H new ATOM 1327 N GLY A 571 6.742 4.689 -3.810 1.00 0.00 N ATOM 1328 CA GLY A 571 7.824 5.507 -4.343 1.00 0.00 C ATOM 1329 C GLY A 571 7.361 6.942 -4.566 1.00 0.00 C ATOM 1330 O GLY A 571 8.053 7.893 -4.200 1.00 0.00 O ATOM 0 H GLY A 571 6.260 4.116 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 571 8.668 5.496 -3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 571 8.176 5.084 -5.284 1.00 0.00 H new ATOM 1334 N ILE A 572 6.187 7.092 -5.169 1.00 0.00 N ATOM 1335 CA ILE A 572 5.640 8.416 -5.436 1.00 0.00 C ATOM 1336 C ILE A 572 5.163 9.071 -4.143 1.00 0.00 C ATOM 1337 O ILE A 572 5.077 10.294 -4.049 1.00 0.00 O ATOM 1338 CB ILE A 572 4.473 8.310 -6.420 1.00 0.00 C ATOM 1339 CG1 ILE A 572 4.073 9.711 -6.891 1.00 0.00 C ATOM 1340 CG2 ILE A 572 3.279 7.644 -5.732 1.00 0.00 C ATOM 1341 CD1 ILE A 572 3.088 9.595 -8.056 1.00 0.00 C ATOM 0 H ILE A 572 5.599 6.318 -5.480 1.00 0.00 H new ATOM 0 HA ILE A 572 6.426 9.032 -5.871 1.00 0.00 H new ATOM 0 HB ILE A 572 4.777 7.710 -7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 572 3.619 10.266 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 572 4.957 10.268 -7.202 1.00 0.00 H new ATOM 0 HG21 ILE A 572 2.449 7.570 -6.435 1.00 0.00 H new ATOM 0 HG22 ILE A 572 3.562 6.646 -5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 572 2.974 8.242 -4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 572 2.803 10.592 -8.392 1.00 0.00 H new ATOM 0 HD12 ILE A 572 3.559 9.056 -8.878 1.00 0.00 H new ATOM 0 HD13 ILE A 572 2.200 9.054 -7.729 1.00 0.00 H new ATOM 1353 N LEU A 573 4.851 8.245 -3.148 1.00 0.00 N ATOM 1354 CA LEU A 573 4.380 8.754 -1.865 1.00 0.00 C ATOM 1355 C LEU A 573 5.548 9.286 -1.038 1.00 0.00 C ATOM 1356 O LEU A 573 5.426 10.305 -0.359 1.00 0.00 O ATOM 1357 CB LEU A 573 3.663 7.638 -1.096 1.00 0.00 C ATOM 1358 CG LEU A 573 3.257 8.133 0.296 1.00 0.00 C ATOM 1359 CD1 LEU A 573 2.389 9.389 0.172 1.00 0.00 C ATOM 1360 CD2 LEU A 573 2.461 7.034 1.007 1.00 0.00 C ATOM 0 H LEU A 573 4.915 7.229 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 573 3.683 9.572 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 573 2.780 7.315 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 573 4.317 6.770 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 573 4.153 8.373 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 573 2.105 9.734 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 573 2.952 10.172 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 573 1.492 9.156 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 573 2.169 7.380 1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 573 1.568 6.798 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 573 3.079 6.141 1.102 1.00 0.00 H new ATOM 1372 N TYR A 574 6.678 8.588 -1.101 1.00 0.00 N ATOM 1373 CA TYR A 574 7.866 8.995 -0.355 1.00 0.00 C ATOM 1374 C TYR A 574 8.874 9.667 -1.284 1.00 0.00 C ATOM 1375 O TYR A 574 10.083 9.586 -1.069 1.00 0.00 O ATOM 1376 CB TYR A 574 8.508 7.771 0.308 1.00 0.00 C ATOM 1377 CG TYR A 574 7.804 7.474 1.613 1.00 0.00 C ATOM 1378 CD1 TYR A 574 6.501 6.964 1.604 1.00 0.00 C ATOM 1379 CD2 TYR A 574 8.456 7.711 2.830 1.00 0.00 C ATOM 1380 CE1 TYR A 574 5.849 6.689 2.813 1.00 0.00 C ATOM 1381 CE2 TYR A 574 7.804 7.438 4.037 1.00 0.00 C ATOM 1382 CZ TYR A 574 6.502 6.927 4.029 1.00 0.00 C ATOM 1383 OH TYR A 574 5.859 6.657 5.220 1.00 0.00 O ATOM 0 H TYR A 574 6.797 7.742 -1.658 1.00 0.00 H new ATOM 0 HA TYR A 574 7.568 9.708 0.414 1.00 0.00 H new ATOM 0 HB2 TYR A 574 8.443 6.909 -0.356 1.00 0.00 H new ATOM 0 HB3 TYR A 574 9.567 7.956 0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 574 5.998 6.782 0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 574 9.462 8.104 2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 574 4.844 6.294 2.807 1.00 0.00 H new ATOM 0 HE2 TYR A 574 8.306 7.622 4.975 1.00 0.00 H new ATOM 0 HH TYR A 574 6.452 6.877 5.969 1.00 0.00 H new ATOM 1393 N MET A 575 8.367 10.329 -2.319 1.00 0.00 N ATOM 1394 CA MET A 575 9.232 11.010 -3.274 1.00 0.00 C ATOM 1395 C MET A 575 9.627 12.388 -2.752 1.00 0.00 C ATOM 1396 O MET A 575 8.769 13.209 -2.428 1.00 0.00 O ATOM 1397 CB MET A 575 8.511 11.156 -4.618 1.00 0.00 C ATOM 1398 CG MET A 575 9.409 11.901 -5.610 1.00 0.00 C ATOM 1399 SD MET A 575 9.234 13.685 -5.363 1.00 0.00 S ATOM 1400 CE MET A 575 10.577 14.198 -6.461 1.00 0.00 C ATOM 0 H MET A 575 7.369 10.408 -2.517 1.00 0.00 H new ATOM 0 HA MET A 575 10.135 10.414 -3.409 1.00 0.00 H new ATOM 0 HB2 MET A 575 8.255 10.173 -5.013 1.00 0.00 H new ATOM 0 HB3 MET A 575 7.575 11.698 -4.482 1.00 0.00 H new ATOM 0 HG2 MET A 575 10.448 11.604 -5.469 1.00 0.00 H new ATOM 0 HG3 MET A 575 9.137 11.636 -6.632 1.00 0.00 H new ATOM 0 HE1 MET A 575 10.651 15.285 -6.462 1.00 0.00 H new ATOM 0 HE2 MET A 575 11.517 13.771 -6.111 1.00 0.00 H new ATOM 0 HE3 MET A 575 10.374 13.847 -7.473 1.00 0.00 H new ATOM 1410 N GLY A 576 10.933 12.633 -2.674 1.00 0.00 N ATOM 1411 CA GLY A 576 11.439 13.916 -2.190 1.00 0.00 C ATOM 1412 C GLY A 576 12.135 13.755 -0.842 1.00 0.00 C ATOM 1413 O GLY A 576 13.174 14.366 -0.594 1.00 0.00 O ATOM 0 H GLY A 576 11.657 11.965 -2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 576 12.137 14.333 -2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 576 10.615 14.624 -2.096 1.00 0.00 H new ATOM 1417 N GLN A 577 11.554 12.932 0.024 1.00 0.00 N ATOM 1418 CA GLN A 577 12.127 12.699 1.345 1.00 0.00 C ATOM 1419 C GLN A 577 13.455 11.954 1.230 1.00 0.00 C ATOM 1420 O GLN A 577 13.795 11.430 0.169 1.00 0.00 O ATOM 1421 CB GLN A 577 11.146 11.884 2.202 1.00 0.00 C ATOM 1422 CG GLN A 577 10.311 12.825 3.077 1.00 0.00 C ATOM 1423 CD GLN A 577 9.685 13.920 2.220 1.00 0.00 C ATOM 1424 OE1 GLN A 577 10.333 14.925 1.924 1.00 0.00 O ATOM 1425 NE2 GLN A 577 8.457 13.786 1.801 1.00 0.00 N ATOM 0 H GLN A 577 10.693 12.418 -0.163 1.00 0.00 H new ATOM 0 HA GLN A 577 12.308 13.663 1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 577 10.492 11.294 1.560 1.00 0.00 H new ATOM 0 HB3 GLN A 577 11.695 11.181 2.829 1.00 0.00 H new ATOM 0 HG2 GLN A 577 9.530 12.262 3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 577 10.940 13.271 3.848 1.00 0.00 H new ATOM 0 HE21 GLN A 577 7.922 12.953 2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 577 8.032 14.514 1.227 1.00 0.00 H new ATOM 1434 N GLY A 578 14.199 11.913 2.332 1.00 0.00 N ATOM 1435 CA GLY A 578 15.490 11.231 2.352 1.00 0.00 C ATOM 1436 C GLY A 578 15.726 10.563 3.703 1.00 0.00 C ATOM 1437 O GLY A 578 15.924 9.351 3.781 1.00 0.00 O ATOM 0 H GLY A 578 13.932 12.341 3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 578 15.524 10.483 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 578 16.288 11.946 2.150 1.00 0.00 H new ATOM 1441 N GLU A 579 15.696 11.361 4.766 1.00 0.00 N ATOM 1442 CA GLU A 579 15.902 10.834 6.110 1.00 0.00 C ATOM 1443 C GLU A 579 14.710 9.982 6.532 1.00 0.00 C ATOM 1444 O GLU A 579 14.872 8.942 7.170 1.00 0.00 O ATOM 1445 CB GLU A 579 16.088 11.984 7.102 1.00 0.00 C ATOM 1446 CG GLU A 579 17.461 12.625 6.890 1.00 0.00 C ATOM 1447 CD GLU A 579 17.682 13.735 7.913 1.00 0.00 C ATOM 1448 OE1 GLU A 579 18.007 13.416 9.044 1.00 0.00 O ATOM 1449 OE2 GLU A 579 17.524 14.889 7.548 1.00 0.00 O ATOM 0 H GLU A 579 15.532 12.367 4.724 1.00 0.00 H new ATOM 0 HA GLU A 579 16.799 10.214 6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 579 15.303 12.727 6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 579 16.001 11.614 8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 579 18.242 11.871 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 579 17.530 13.030 5.881 1.00 0.00 H new ATOM 1456 N GLN A 580 13.513 10.430 6.168 1.00 0.00 N ATOM 1457 CA GLN A 580 12.297 9.702 6.510 1.00 0.00 C ATOM 1458 C GLN A 580 12.323 8.309 5.891 1.00 0.00 C ATOM 1459 O GLN A 580 11.905 7.332 6.515 1.00 0.00 O ATOM 1460 CB GLN A 580 11.073 10.467 6.003 1.00 0.00 C ATOM 1461 CG GLN A 580 9.811 9.927 6.680 1.00 0.00 C ATOM 1462 CD GLN A 580 8.596 10.734 6.234 1.00 0.00 C ATOM 1463 OE1 GLN A 580 8.585 11.959 6.357 1.00 0.00 O ATOM 1464 NE2 GLN A 580 7.567 10.118 5.721 1.00 0.00 N ATOM 0 H GLN A 580 13.359 11.289 5.639 1.00 0.00 H new ATOM 0 HA GLN A 580 12.240 9.606 7.594 1.00 0.00 H new ATOM 0 HB2 GLN A 580 11.184 11.531 6.214 1.00 0.00 H new ATOM 0 HB3 GLN A 580 10.990 10.363 4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 580 9.673 8.876 6.426 1.00 0.00 H new ATOM 0 HG3 GLN A 580 9.917 9.982 7.763 1.00 0.00 H new ATOM 0 HE21 GLN A 580 7.578 9.103 5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 580 6.751 10.651 5.421 1.00 0.00 H new ATOM 1473 N VAL A 581 12.817 8.226 4.660 1.00 0.00 N ATOM 1474 CA VAL A 581 12.898 6.948 3.964 1.00 0.00 C ATOM 1475 C VAL A 581 13.805 5.984 4.723 1.00 0.00 C ATOM 1476 O VAL A 581 13.397 4.875 5.069 1.00 0.00 O ATOM 1477 CB VAL A 581 13.441 7.158 2.549 1.00 0.00 C ATOM 1478 CG1 VAL A 581 13.665 5.802 1.878 1.00 0.00 C ATOM 1479 CG2 VAL A 581 12.430 7.967 1.732 1.00 0.00 C ATOM 0 H VAL A 581 13.165 9.023 4.127 1.00 0.00 H new ATOM 0 HA VAL A 581 11.897 6.520 3.908 1.00 0.00 H new ATOM 0 HB VAL A 581 14.387 7.697 2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 581 14.052 5.954 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 581 14.383 5.223 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 581 12.720 5.261 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 581 12.815 8.118 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 581 11.485 7.425 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 581 12.269 8.935 2.207 1.00 0.00 H new ATOM 1489 N ASP A 582 15.036 6.416 4.979 1.00 0.00 N ATOM 1490 CA ASP A 582 15.992 5.584 5.701 1.00 0.00 C ATOM 1491 C ASP A 582 15.331 4.942 6.915 1.00 0.00 C ATOM 1492 O ASP A 582 15.610 3.791 7.251 1.00 0.00 O ATOM 1493 CB ASP A 582 17.184 6.431 6.153 1.00 0.00 C ATOM 1494 CG ASP A 582 17.935 6.964 4.937 1.00 0.00 C ATOM 1495 OD1 ASP A 582 18.639 6.187 4.312 1.00 0.00 O ATOM 1496 OD2 ASP A 582 17.793 8.141 4.647 1.00 0.00 O ATOM 0 H ASP A 582 15.393 7.330 4.700 1.00 0.00 H new ATOM 0 HA ASP A 582 16.340 4.797 5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 582 16.838 7.261 6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 582 17.853 5.832 6.770 1.00 0.00 H new ATOM 1501 N ASP A 583 14.453 5.694 7.570 1.00 0.00 N ATOM 1502 CA ASP A 583 13.754 5.189 8.745 1.00 0.00 C ATOM 1503 C ASP A 583 12.827 4.040 8.361 1.00 0.00 C ATOM 1504 O ASP A 583 12.777 3.016 9.041 1.00 0.00 O ATOM 1505 CB ASP A 583 12.940 6.313 9.390 1.00 0.00 C ATOM 1506 CG ASP A 583 12.499 5.900 10.789 1.00 0.00 C ATOM 1507 OD1 ASP A 583 13.241 5.179 11.435 1.00 0.00 O ATOM 1508 OD2 ASP A 583 11.425 6.313 11.197 1.00 0.00 O ATOM 0 H ASP A 583 14.210 6.650 7.309 1.00 0.00 H new ATOM 0 HA ASP A 583 14.493 4.822 9.457 1.00 0.00 H new ATOM 0 HB2 ASP A 583 13.538 7.223 9.442 1.00 0.00 H new ATOM 0 HB3 ASP A 583 12.068 6.540 8.777 1.00 0.00 H new ATOM 1513 N VAL A 584 12.096 4.219 7.265 1.00 0.00 N ATOM 1514 CA VAL A 584 11.176 3.189 6.798 1.00 0.00 C ATOM 1515 C VAL A 584 11.928 1.893 6.512 1.00 0.00 C ATOM 1516 O VAL A 584 11.614 0.845 7.078 1.00 0.00 O ATOM 1517 CB VAL A 584 10.464 3.659 5.529 1.00 0.00 C ATOM 1518 CG1 VAL A 584 9.530 2.557 5.027 1.00 0.00 C ATOM 1519 CG2 VAL A 584 9.647 4.915 5.840 1.00 0.00 C ATOM 0 H VAL A 584 12.122 5.060 6.688 1.00 0.00 H new ATOM 0 HA VAL A 584 10.438 3.005 7.579 1.00 0.00 H new ATOM 0 HB VAL A 584 11.204 3.885 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 584 9.023 2.894 4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 584 10.110 1.661 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 584 8.790 2.330 5.794 1.00 0.00 H new ATOM 0 HG21 VAL A 584 9.139 5.251 4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 584 8.908 4.687 6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 584 10.311 5.702 6.197 1.00 0.00 H new ATOM 1529 N LEU A 585 12.923 1.970 5.633 1.00 0.00 N ATOM 1530 CA LEU A 585 13.712 0.795 5.286 1.00 0.00 C ATOM 1531 C LEU A 585 14.292 0.157 6.544 1.00 0.00 C ATOM 1532 O LEU A 585 14.352 -1.067 6.659 1.00 0.00 O ATOM 1533 CB LEU A 585 14.851 1.185 4.339 1.00 0.00 C ATOM 1534 CG LEU A 585 14.300 2.037 3.193 1.00 0.00 C ATOM 1535 CD1 LEU A 585 15.428 2.357 2.210 1.00 0.00 C ATOM 1536 CD2 LEU A 585 13.192 1.266 2.465 1.00 0.00 C ATOM 0 H LEU A 585 13.200 2.826 5.152 1.00 0.00 H new ATOM 0 HA LEU A 585 13.061 0.076 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 585 15.615 1.740 4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 585 15.329 0.290 3.942 1.00 0.00 H new ATOM 0 HG LEU A 585 13.891 2.964 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 585 15.037 2.964 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 585 16.215 2.907 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 585 15.836 1.429 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 585 12.801 1.874 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 585 13.598 0.338 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 585 12.388 1.037 3.165 1.00 0.00 H new ATOM 1548 N GLU A 586 14.714 0.995 7.485 1.00 0.00 N ATOM 1549 CA GLU A 586 15.284 0.504 8.733 1.00 0.00 C ATOM 1550 C GLU A 586 14.296 -0.416 9.443 1.00 0.00 C ATOM 1551 O GLU A 586 14.693 -1.360 10.128 1.00 0.00 O ATOM 1552 CB GLU A 586 15.639 1.681 9.645 1.00 0.00 C ATOM 1553 CG GLU A 586 16.508 1.189 10.803 1.00 0.00 C ATOM 1554 CD GLU A 586 16.571 2.250 11.895 1.00 0.00 C ATOM 1555 OE1 GLU A 586 16.296 3.400 11.593 1.00 0.00 O ATOM 1556 OE2 GLU A 586 16.894 1.899 13.018 1.00 0.00 O ATOM 0 H GLU A 586 14.672 2.011 7.408 1.00 0.00 H new ATOM 0 HA GLU A 586 16.188 -0.059 8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 586 16.170 2.446 9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 586 14.730 2.143 10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 586 16.099 0.263 11.207 1.00 0.00 H new ATOM 0 HG3 GLU A 586 17.513 0.964 10.445 1.00 0.00 H new ATOM 1563 N THR A 587 13.008 -0.136 9.273 1.00 0.00 N ATOM 1564 CA THR A 587 11.970 -0.947 9.899 1.00 0.00 C ATOM 1565 C THR A 587 11.714 -2.206 9.079 1.00 0.00 C ATOM 1566 O THR A 587 11.791 -3.322 9.593 1.00 0.00 O ATOM 1567 CB THR A 587 10.675 -0.140 10.017 1.00 0.00 C ATOM 1568 OG1 THR A 587 10.904 1.005 10.828 1.00 0.00 O ATOM 1569 CG2 THR A 587 9.586 -1.006 10.651 1.00 0.00 C ATOM 0 H THR A 587 12.660 0.641 8.711 1.00 0.00 H new ATOM 0 HA THR A 587 12.308 -1.235 10.894 1.00 0.00 H new ATOM 0 HB THR A 587 10.353 0.175 9.025 1.00 0.00 H new ATOM 0 HG1 THR A 587 11.478 1.637 10.347 1.00 0.00 H new ATOM 0 HG21 THR A 587 8.665 -0.429 10.734 1.00 0.00 H new ATOM 0 HG22 THR A 587 9.410 -1.883 10.028 1.00 0.00 H new ATOM 0 HG23 THR A 587 9.906 -1.324 11.643 1.00 0.00 H new ATOM 1577 N ILE A 588 11.411 -2.018 7.798 1.00 0.00 N ATOM 1578 CA ILE A 588 11.148 -3.144 6.911 1.00 0.00 C ATOM 1579 C ILE A 588 12.283 -4.158 6.986 1.00 0.00 C ATOM 1580 O ILE A 588 12.068 -5.360 6.831 1.00 0.00 O ATOM 1581 CB ILE A 588 10.996 -2.650 5.471 1.00 0.00 C ATOM 1582 CG1 ILE A 588 9.844 -1.645 5.397 1.00 0.00 C ATOM 1583 CG2 ILE A 588 10.697 -3.836 4.554 1.00 0.00 C ATOM 1584 CD1 ILE A 588 9.854 -0.958 4.031 1.00 0.00 C ATOM 0 H ILE A 588 11.342 -1.102 7.354 1.00 0.00 H new ATOM 0 HA ILE A 588 10.223 -3.626 7.228 1.00 0.00 H new ATOM 0 HB ILE A 588 11.920 -2.169 5.152 1.00 0.00 H new ATOM 0 HG12 ILE A 588 8.893 -2.154 5.553 1.00 0.00 H new ATOM 0 HG13 ILE A 588 9.943 -0.903 6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 588 10.589 -3.484 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 588 11.516 -4.553 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 588 9.772 -4.318 4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 588 9.034 -0.242 3.978 1.00 0.00 H new ATOM 0 HD12 ILE A 588 10.801 -0.436 3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 588 9.735 -1.706 3.247 1.00 0.00 H new ATOM 1596 N SER A 589 13.494 -3.663 7.226 1.00 0.00 N ATOM 1597 CA SER A 589 14.659 -4.533 7.323 1.00 0.00 C ATOM 1598 C SER A 589 14.634 -5.319 8.629 1.00 0.00 C ATOM 1599 O SER A 589 14.865 -6.528 8.642 1.00 0.00 O ATOM 1600 CB SER A 589 15.939 -3.699 7.252 1.00 0.00 C ATOM 1601 OG SER A 589 17.039 -4.490 7.680 1.00 0.00 O ATOM 0 H SER A 589 13.692 -2.671 7.356 1.00 0.00 H new ATOM 0 HA SER A 589 14.635 -5.235 6.490 1.00 0.00 H new ATOM 0 HB2 SER A 589 16.103 -3.349 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 589 15.846 -2.814 7.882 1.00 0.00 H new ATOM 0 HG SER A 589 17.861 -3.959 7.634 1.00 0.00 H new ATOM 1607 N ALA A 590 14.351 -4.625 9.727 1.00 0.00 N ATOM 1608 CA ALA A 590 14.298 -5.269 11.034 1.00 0.00 C ATOM 1609 C ALA A 590 13.280 -6.405 11.032 1.00 0.00 C ATOM 1610 O ALA A 590 13.601 -7.539 11.385 1.00 0.00 O ATOM 1611 CB ALA A 590 13.922 -4.244 12.108 1.00 0.00 C ATOM 0 H ALA A 590 14.156 -3.624 9.738 1.00 0.00 H new ATOM 0 HA ALA A 590 15.283 -5.681 11.255 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.885 -4.734 13.081 1.00 0.00 H new ATOM 0 HB2 ALA A 590 14.668 -3.450 12.130 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.945 -3.818 11.878 1.00 0.00 H new ATOM 1617 N ILE A 591 12.051 -6.092 10.632 1.00 0.00 N ATOM 1618 CA ILE A 591 10.994 -7.095 10.588 1.00 0.00 C ATOM 1619 C ILE A 591 11.255 -8.098 9.469 1.00 0.00 C ATOM 1620 O ILE A 591 12.088 -7.863 8.593 1.00 0.00 O ATOM 1621 CB ILE A 591 9.639 -6.416 10.366 1.00 0.00 C ATOM 1622 CG1 ILE A 591 9.524 -5.191 11.281 1.00 0.00 C ATOM 1623 CG2 ILE A 591 8.507 -7.396 10.683 1.00 0.00 C ATOM 1624 CD1 ILE A 591 9.854 -5.589 12.722 1.00 0.00 C ATOM 0 H ILE A 591 11.765 -5.159 10.336 1.00 0.00 H new ATOM 0 HA ILE A 591 10.981 -7.626 11.540 1.00 0.00 H new ATOM 0 HB ILE A 591 9.562 -6.104 9.325 1.00 0.00 H new ATOM 0 HG12 ILE A 591 10.205 -4.409 10.945 1.00 0.00 H new ATOM 0 HG13 ILE A 591 8.516 -4.780 11.229 1.00 0.00 H new ATOM 0 HG21 ILE A 591 7.546 -6.906 10.523 1.00 0.00 H new ATOM 0 HG22 ILE A 591 8.585 -8.265 10.030 1.00 0.00 H new ATOM 0 HG23 ILE A 591 8.583 -7.715 11.722 1.00 0.00 H new ATOM 0 HD11 ILE A 591 9.771 -4.716 13.369 1.00 0.00 H new ATOM 0 HD12 ILE A 591 9.156 -6.356 13.057 1.00 0.00 H new ATOM 0 HD13 ILE A 591 10.871 -5.979 12.768 1.00 0.00 H new ATOM 1636 N GLU A 592 10.537 -9.217 9.504 1.00 0.00 N ATOM 1637 CA GLU A 592 10.699 -10.252 8.489 1.00 0.00 C ATOM 1638 C GLU A 592 10.842 -9.633 7.102 1.00 0.00 C ATOM 1639 O GLU A 592 10.043 -8.783 6.706 1.00 0.00 O ATOM 1640 CB GLU A 592 9.494 -11.193 8.508 1.00 0.00 C ATOM 1641 CG GLU A 592 9.265 -11.700 9.934 1.00 0.00 C ATOM 1642 CD GLU A 592 8.293 -12.874 9.920 1.00 0.00 C ATOM 1643 OE1 GLU A 592 8.587 -13.854 9.256 1.00 0.00 O ATOM 1644 OE2 GLU A 592 7.268 -12.777 10.575 1.00 0.00 O ATOM 0 H GLU A 592 9.842 -9.429 10.220 1.00 0.00 H new ATOM 0 HA GLU A 592 11.605 -10.814 8.715 1.00 0.00 H new ATOM 0 HB2 GLU A 592 8.606 -10.672 8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 592 9.665 -12.033 7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 592 10.213 -12.007 10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 592 8.869 -10.897 10.555 1.00 0.00 H new ATOM 1651 N HIS A 593 11.864 -10.064 6.369 1.00 0.00 N ATOM 1652 CA HIS A 593 12.108 -9.548 5.024 1.00 0.00 C ATOM 1653 C HIS A 593 12.478 -10.682 4.073 1.00 0.00 C ATOM 1654 O HIS A 593 13.644 -10.850 3.715 1.00 0.00 O ATOM 1655 CB HIS A 593 13.241 -8.521 5.060 1.00 0.00 C ATOM 1656 CG HIS A 593 14.502 -9.184 5.545 1.00 0.00 C ATOM 1657 ND1 HIS A 593 15.634 -9.291 4.753 1.00 0.00 N ATOM 1658 CD2 HIS A 593 14.822 -9.782 6.739 1.00 0.00 C ATOM 1659 CE1 HIS A 593 16.574 -9.930 5.472 1.00 0.00 C ATOM 1660 NE2 HIS A 593 16.131 -10.251 6.691 1.00 0.00 N ATOM 0 H HIS A 593 12.535 -10.766 6.681 1.00 0.00 H new ATOM 0 HA HIS A 593 11.195 -9.073 4.665 1.00 0.00 H new ATOM 0 HB2 HIS A 593 13.397 -8.101 4.067 1.00 0.00 H new ATOM 0 HB3 HIS A 593 12.976 -7.694 5.718 1.00 0.00 H new ATOM 0 HD2 HIS A 593 14.159 -9.874 7.586 1.00 0.00 H new ATOM 0 HE1 HIS A 593 17.566 -10.156 5.109 1.00 0.00 H new ATOM 0 HE2 HIS A 593 16.643 -10.736 7.428 1.00 0.00 H new ATOM 1668 N PRO A 594 11.511 -11.459 3.661 1.00 0.00 N ATOM 1669 CA PRO A 594 11.735 -12.601 2.733 1.00 0.00 C ATOM 1670 C PRO A 594 11.959 -12.133 1.295 1.00 0.00 C ATOM 1671 O PRO A 594 13.083 -12.156 0.794 1.00 0.00 O ATOM 1672 CB PRO A 594 10.452 -13.448 2.851 1.00 0.00 C ATOM 1673 CG PRO A 594 9.559 -12.754 3.842 1.00 0.00 C ATOM 1674 CD PRO A 594 10.101 -11.338 4.032 1.00 0.00 C ATOM 0 HA PRO A 594 12.632 -13.163 2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 594 9.958 -13.538 1.883 1.00 0.00 H new ATOM 0 HB3 PRO A 594 10.686 -14.459 3.184 1.00 0.00 H new ATOM 0 HG2 PRO A 594 8.532 -12.726 3.479 1.00 0.00 H new ATOM 0 HG3 PRO A 594 9.548 -13.291 4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 594 9.580 -10.620 3.399 1.00 0.00 H new ATOM 0 HD3 PRO A 594 9.985 -10.998 5.061 1.00 0.00 H new ATOM 1682 N MET A 595 10.883 -11.710 0.639 1.00 0.00 N ATOM 1683 CA MET A 595 10.974 -11.238 -0.742 1.00 0.00 C ATOM 1684 C MET A 595 11.083 -9.715 -0.778 1.00 0.00 C ATOM 1685 O MET A 595 11.735 -9.151 -1.655 1.00 0.00 O ATOM 1686 CB MET A 595 9.735 -11.694 -1.529 1.00 0.00 C ATOM 1687 CG MET A 595 10.135 -12.754 -2.559 1.00 0.00 C ATOM 1688 SD MET A 595 8.651 -13.399 -3.372 1.00 0.00 S ATOM 1689 CE MET A 595 9.451 -13.950 -4.898 1.00 0.00 C ATOM 0 H MET A 595 9.944 -11.683 1.036 1.00 0.00 H new ATOM 0 HA MET A 595 11.868 -11.662 -1.200 1.00 0.00 H new ATOM 0 HB2 MET A 595 8.989 -12.101 -0.846 1.00 0.00 H new ATOM 0 HB3 MET A 595 9.277 -10.841 -2.030 1.00 0.00 H new ATOM 0 HG2 MET A 595 10.809 -12.321 -3.299 1.00 0.00 H new ATOM 0 HG3 MET A 595 10.676 -13.564 -2.071 1.00 0.00 H new ATOM 0 HE1 MET A 595 8.706 -14.390 -5.561 1.00 0.00 H new ATOM 0 HE2 MET A 595 9.918 -13.098 -5.392 1.00 0.00 H new ATOM 0 HE3 MET A 595 10.212 -14.694 -4.662 1.00 0.00 H new ATOM 1699 N THR A 596 10.440 -9.057 0.182 1.00 0.00 N ATOM 1700 CA THR A 596 10.473 -7.601 0.249 1.00 0.00 C ATOM 1701 C THR A 596 11.908 -7.093 0.157 1.00 0.00 C ATOM 1702 O THR A 596 12.151 -5.957 -0.246 1.00 0.00 O ATOM 1703 CB THR A 596 9.843 -7.124 1.559 1.00 0.00 C ATOM 1704 OG1 THR A 596 10.625 -7.586 2.653 1.00 0.00 O ATOM 1705 CG2 THR A 596 8.421 -7.677 1.677 1.00 0.00 C ATOM 0 H THR A 596 9.894 -9.505 0.918 1.00 0.00 H new ATOM 0 HA THR A 596 9.905 -7.204 -0.592 1.00 0.00 H new ATOM 0 HB THR A 596 9.807 -6.035 1.570 1.00 0.00 H new ATOM 0 HG1 THR A 596 10.224 -7.280 3.494 1.00 0.00 H new ATOM 0 HG21 THR A 596 7.974 -7.336 2.611 1.00 0.00 H new ATOM 0 HG22 THR A 596 7.822 -7.323 0.838 1.00 0.00 H new ATOM 0 HG23 THR A 596 8.452 -8.767 1.666 1.00 0.00 H new ATOM 1713 N SER A 597 12.856 -7.946 0.534 1.00 0.00 N ATOM 1714 CA SER A 597 14.266 -7.575 0.489 1.00 0.00 C ATOM 1715 C SER A 597 14.616 -6.964 -0.864 1.00 0.00 C ATOM 1716 O SER A 597 15.290 -5.937 -0.936 1.00 0.00 O ATOM 1717 CB SER A 597 15.138 -8.807 0.737 1.00 0.00 C ATOM 1718 OG SER A 597 16.482 -8.394 0.952 1.00 0.00 O ATOM 0 H SER A 597 12.675 -8.891 0.871 1.00 0.00 H new ATOM 0 HA SER A 597 14.453 -6.836 1.268 1.00 0.00 H new ATOM 0 HB2 SER A 597 14.772 -9.358 1.603 1.00 0.00 H new ATOM 0 HB3 SER A 597 15.085 -9.483 -0.117 1.00 0.00 H new ATOM 0 HG SER A 597 17.044 -9.180 1.113 1.00 0.00 H new ATOM 1724 N ALA A 598 14.154 -7.603 -1.934 1.00 0.00 N ATOM 1725 CA ALA A 598 14.424 -7.113 -3.280 1.00 0.00 C ATOM 1726 C ALA A 598 14.052 -5.638 -3.398 1.00 0.00 C ATOM 1727 O ALA A 598 14.847 -4.822 -3.863 1.00 0.00 O ATOM 1728 CB ALA A 598 13.631 -7.926 -4.303 1.00 0.00 C ATOM 0 H ALA A 598 13.595 -8.455 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 598 15.490 -7.224 -3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 598 13.840 -7.552 -5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 598 13.922 -8.974 -4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 598 12.565 -7.832 -4.095 1.00 0.00 H new ATOM 1734 N ILE A 599 12.836 -5.304 -2.977 1.00 0.00 N ATOM 1735 CA ILE A 599 12.369 -3.925 -3.042 1.00 0.00 C ATOM 1736 C ILE A 599 13.227 -3.025 -2.158 1.00 0.00 C ATOM 1737 O ILE A 599 13.616 -1.930 -2.564 1.00 0.00 O ATOM 1738 CB ILE A 599 10.910 -3.845 -2.591 1.00 0.00 C ATOM 1739 CG1 ILE A 599 10.041 -4.681 -3.534 1.00 0.00 C ATOM 1740 CG2 ILE A 599 10.444 -2.389 -2.626 1.00 0.00 C ATOM 1741 CD1 ILE A 599 8.670 -4.911 -2.897 1.00 0.00 C ATOM 0 H ILE A 599 12.161 -5.964 -2.590 1.00 0.00 H new ATOM 0 HA ILE A 599 12.449 -3.584 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 599 10.821 -4.230 -1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 599 9.928 -4.170 -4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 599 10.523 -5.637 -3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 599 9.404 -2.332 -2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 599 11.064 -1.792 -1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 599 10.531 -2.003 -3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 599 8.052 -5.506 -3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 599 8.792 -5.440 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 599 8.187 -3.951 -2.715 1.00 0.00 H new ATOM 1753 N GLU A 600 13.518 -3.494 -0.949 1.00 0.00 N ATOM 1754 CA GLU A 600 14.333 -2.721 -0.017 1.00 0.00 C ATOM 1755 C GLU A 600 15.548 -2.135 -0.729 1.00 0.00 C ATOM 1756 O GLU A 600 16.005 -1.041 -0.401 1.00 0.00 O ATOM 1757 CB GLU A 600 14.796 -3.612 1.137 1.00 0.00 C ATOM 1758 CG GLU A 600 15.402 -2.746 2.243 1.00 0.00 C ATOM 1759 CD GLU A 600 15.710 -3.603 3.466 1.00 0.00 C ATOM 1760 OE1 GLU A 600 14.771 -4.014 4.127 1.00 0.00 O ATOM 1761 OE2 GLU A 600 16.880 -3.834 3.723 1.00 0.00 O ATOM 0 H GLU A 600 13.205 -4.397 -0.593 1.00 0.00 H new ATOM 0 HA GLU A 600 13.727 -1.905 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 600 13.955 -4.183 1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 600 15.532 -4.332 0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 600 16.314 -2.269 1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 600 14.710 -1.948 2.512 1.00 0.00 H new ATOM 1768 N VAL A 601 16.065 -2.872 -1.707 1.00 0.00 N ATOM 1769 CA VAL A 601 17.227 -2.418 -2.463 1.00 0.00 C ATOM 1770 C VAL A 601 16.810 -1.402 -3.522 1.00 0.00 C ATOM 1771 O VAL A 601 17.462 -0.373 -3.701 1.00 0.00 O ATOM 1772 CB VAL A 601 17.908 -3.609 -3.138 1.00 0.00 C ATOM 1773 CG1 VAL A 601 19.139 -3.124 -3.907 1.00 0.00 C ATOM 1774 CG2 VAL A 601 18.339 -4.621 -2.074 1.00 0.00 C ATOM 0 H VAL A 601 15.701 -3.781 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 601 17.925 -1.944 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 601 17.210 -4.082 -3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 601 19.625 -3.973 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 601 18.834 -2.403 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 601 19.837 -2.651 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 601 18.824 -5.470 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 601 19.037 -4.148 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 601 17.463 -4.967 -1.525 1.00 0.00 H new ATOM 1784 N LEU A 602 15.720 -1.699 -4.221 1.00 0.00 N ATOM 1785 CA LEU A 602 15.221 -0.805 -5.260 1.00 0.00 C ATOM 1786 C LEU A 602 15.102 0.619 -4.722 1.00 0.00 C ATOM 1787 O LEU A 602 15.785 1.529 -5.193 1.00 0.00 O ATOM 1788 CB LEU A 602 13.851 -1.294 -5.749 1.00 0.00 C ATOM 1789 CG LEU A 602 13.600 -0.836 -7.194 1.00 0.00 C ATOM 1790 CD1 LEU A 602 13.789 0.680 -7.297 1.00 0.00 C ATOM 1791 CD2 LEU A 602 14.577 -1.541 -8.149 1.00 0.00 C ATOM 0 H LEU A 602 15.168 -2.546 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 602 15.923 -0.806 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 602 13.805 -2.382 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 602 13.067 -0.908 -5.098 1.00 0.00 H new ATOM 0 HG LEU A 602 12.579 -1.095 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 602 13.610 1.000 -8.323 1.00 0.00 H new ATOM 0 HD12 LEU A 602 13.084 1.180 -6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 602 14.807 0.940 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 602 14.390 -1.209 -9.170 1.00 0.00 H new ATOM 0 HD22 LEU A 602 15.601 -1.295 -7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 602 14.433 -2.620 -8.086 1.00 0.00 H new ATOM 1803 N VAL A 603 14.232 0.804 -3.736 1.00 0.00 N ATOM 1804 CA VAL A 603 14.032 2.121 -3.144 1.00 0.00 C ATOM 1805 C VAL A 603 15.314 2.609 -2.478 1.00 0.00 C ATOM 1806 O VAL A 603 15.744 3.742 -2.692 1.00 0.00 O ATOM 1807 CB VAL A 603 12.908 2.062 -2.109 1.00 0.00 C ATOM 1808 CG1 VAL A 603 12.593 3.475 -1.616 1.00 0.00 C ATOM 1809 CG2 VAL A 603 11.657 1.458 -2.748 1.00 0.00 C ATOM 0 H VAL A 603 13.658 0.064 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 603 13.760 2.818 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 603 13.223 1.444 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 603 11.792 3.433 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 603 13.483 3.908 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 603 12.279 4.092 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 603 10.856 1.416 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 603 11.344 2.076 -3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 603 11.879 0.451 -3.101 1.00 0.00 H new ATOM 1819 N GLY A 604 15.921 1.745 -1.669 1.00 0.00 N ATOM 1820 CA GLY A 604 17.154 2.099 -0.977 1.00 0.00 C ATOM 1821 C GLY A 604 18.143 2.763 -1.930 1.00 0.00 C ATOM 1822 O GLY A 604 18.785 3.753 -1.581 1.00 0.00 O ATOM 0 H GLY A 604 15.582 0.802 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 604 16.931 2.774 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 604 17.603 1.204 -0.546 1.00 0.00 H new ATOM 1826 N SER A 605 18.260 2.209 -3.132 1.00 0.00 N ATOM 1827 CA SER A 605 19.176 2.754 -4.127 1.00 0.00 C ATOM 1828 C SER A 605 18.647 4.073 -4.681 1.00 0.00 C ATOM 1829 O SER A 605 19.419 4.969 -5.021 1.00 0.00 O ATOM 1830 CB SER A 605 19.357 1.756 -5.270 1.00 0.00 C ATOM 1831 OG SER A 605 20.396 2.208 -6.128 1.00 0.00 O ATOM 0 H SER A 605 17.736 1.389 -3.439 1.00 0.00 H new ATOM 0 HA SER A 605 20.137 2.936 -3.646 1.00 0.00 H new ATOM 0 HB2 SER A 605 19.601 0.771 -4.873 1.00 0.00 H new ATOM 0 HB3 SER A 605 18.427 1.653 -5.829 1.00 0.00 H new ATOM 0 HG SER A 605 20.516 1.569 -6.861 1.00 0.00 H new ATOM 1837 N CYS A 606 17.326 4.184 -4.771 1.00 0.00 N ATOM 1838 CA CYS A 606 16.704 5.399 -5.288 1.00 0.00 C ATOM 1839 C CYS A 606 16.750 6.512 -4.245 1.00 0.00 C ATOM 1840 O CYS A 606 16.044 7.513 -4.363 1.00 0.00 O ATOM 1841 CB CYS A 606 15.250 5.118 -5.673 1.00 0.00 C ATOM 1842 SG CYS A 606 14.628 6.470 -6.703 1.00 0.00 S ATOM 0 H CYS A 606 16.669 3.454 -4.495 1.00 0.00 H new ATOM 0 HA CYS A 606 17.258 5.721 -6.170 1.00 0.00 H new ATOM 0 HB2 CYS A 606 15.181 4.174 -6.213 1.00 0.00 H new ATOM 0 HB3 CYS A 606 14.638 5.018 -4.777 1.00 0.00 H new ATOM 0 HG CYS A 606 14.970 7.609 -6.177 1.00 0.00 H new ATOM 1848 N ALA A 607 17.585 6.332 -3.228 1.00 0.00 N ATOM 1849 CA ALA A 607 17.714 7.332 -2.173 1.00 0.00 C ATOM 1850 C ALA A 607 18.598 8.486 -2.635 1.00 0.00 C ATOM 1851 O ALA A 607 19.117 8.475 -3.751 1.00 0.00 O ATOM 1852 CB ALA A 607 18.315 6.696 -0.917 1.00 0.00 C ATOM 0 H ALA A 607 18.178 5.511 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 607 16.721 7.719 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 607 18.407 7.450 -0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 607 17.666 5.892 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 607 19.300 6.292 -1.150 1.00 0.00 H new