USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=22 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 -128:sc= -0.4 USER MOD Set 1.2: A 574 TYR OH : rot 180:sc= -0.0067 USER MOD Single : A 500 SER OG : rot 173:sc= -0.0495 USER MOD Single : A 501 LYS NZ :NH3+ 157:sc= -0.0594 (180deg=-0.925) USER MOD Single : A 502 ASN : amide:sc= -10.7! C(o=-11!,f=-14!) USER MOD Single : A 515 SER OG : rot -52:sc= 0.284 USER MOD Single : A 516 THR OG1 : rot 180:sc= 0 USER MOD Single : A 522 THR OG1 : rot -130:sc= -1.23 USER MOD Single : A 525 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot 94:sc= 1.15 USER MOD Single : A 532 HIS : no HD1:sc= -1.45! K(o=-1.4!,f=-0.46) USER MOD Single : A 537 THR OG1 : rot 83:sc= 0.313! USER MOD Single : A 538 CYS SG : rot 180:sc= -0.602 USER MOD Single : A 539 ASN : amide:sc= -1.59 K(o=-1.6,f=-10!) USER MOD Single : A 544 THR OG1 : rot 180:sc= -0.0396 USER MOD Single : A 545 SER OG : rot 50:sc= -1.32 USER MOD Single : A 547 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 549 ASN : amide:sc= -0.0638 K(o=-0.064,f=-1.6!) USER MOD Single : A 554 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 559 LYS NZ :NH3+ -123:sc= 0.131 (180deg=-1.76!) 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= -2.75! C(o=-2.7!,f=-6!) USER MOD Single : A 580 GLN : amide:sc= -3.45! C(o=-3.4!,f=-5.2!) USER MOD Single : A 587 THR OG1 : rot 71:sc= 0.053 USER MOD Single : A 589 SER OG : rot 180:sc= 0 USER MOD Single : A 593 HIS : no HE2:sc= -2.72 K(o=-2.7,f=-12!) USER MOD Single : A 595 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 596 THR OG1 : rot 180:sc= 0.0513 USER MOD Single : A 597 SER OG : rot -81:sc= 1 USER MOD Single : A 605 SER OG : rot 180:sc= 0 USER MOD Single : A 606 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 112 N ILE A 490 -15.167 1.335 -8.382 1.00 0.00 N ATOM 113 CA ILE A 490 -13.823 1.686 -7.937 1.00 0.00 C ATOM 114 C ILE A 490 -13.420 3.049 -8.489 1.00 0.00 C ATOM 115 O ILE A 490 -13.058 3.953 -7.734 1.00 0.00 O ATOM 116 CB ILE A 490 -12.822 0.627 -8.407 1.00 0.00 C ATOM 117 CG1 ILE A 490 -13.222 -0.751 -7.851 1.00 0.00 C ATOM 118 CG2 ILE A 490 -11.418 0.999 -7.923 1.00 0.00 C ATOM 119 CD1 ILE A 490 -12.671 -0.932 -6.431 1.00 0.00 C ATOM 0 HA ILE A 490 -13.819 1.729 -6.848 1.00 0.00 H new ATOM 0 HB ILE A 490 -12.826 0.584 -9.496 1.00 0.00 H new ATOM 0 HG12 ILE A 490 -14.308 -0.846 -7.842 1.00 0.00 H new ATOM 0 HG13 ILE A 490 -12.839 -1.538 -8.500 1.00 0.00 H new ATOM 0 HG21 ILE A 490 -10.706 0.245 -8.258 1.00 0.00 H new ATOM 0 HG22 ILE A 490 -11.138 1.970 -8.332 1.00 0.00 H new ATOM 0 HG23 ILE A 490 -11.410 1.048 -6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 490 -12.962 -1.911 -6.050 1.00 0.00 H new ATOM 0 HD12 ILE A 490 -11.584 -0.858 -6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 490 -13.076 -0.155 -5.782 1.00 0.00 H new ATOM 131 N LEU A 491 -13.489 3.193 -9.809 1.00 0.00 N ATOM 132 CA LEU A 491 -13.132 4.454 -10.449 1.00 0.00 C ATOM 133 C LEU A 491 -14.031 5.576 -9.942 1.00 0.00 C ATOM 134 O LEU A 491 -13.568 6.686 -9.679 1.00 0.00 O ATOM 135 CB LEU A 491 -13.275 4.328 -11.970 1.00 0.00 C ATOM 136 CG LEU A 491 -12.524 5.477 -12.661 1.00 0.00 C ATOM 137 CD1 LEU A 491 -11.064 5.076 -12.891 1.00 0.00 C ATOM 138 CD2 LEU A 491 -13.181 5.779 -14.012 1.00 0.00 C ATOM 0 H LEU A 491 -13.786 2.459 -10.451 1.00 0.00 H new ATOM 0 HA LEU A 491 -12.097 4.689 -10.203 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -12.878 3.369 -12.304 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -14.329 4.351 -12.248 1.00 0.00 H new ATOM 0 HG LEU A 491 -12.563 6.362 -12.026 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -10.535 5.893 -13.381 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -10.591 4.860 -11.933 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -11.026 4.189 -13.523 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -12.648 6.594 -14.502 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -13.143 4.890 -14.642 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -14.220 6.068 -13.855 1.00 0.00 H new ATOM 150 N GLY A 492 -15.318 5.276 -9.804 1.00 0.00 N ATOM 151 CA GLY A 492 -16.276 6.265 -9.324 1.00 0.00 C ATOM 152 C GLY A 492 -15.751 6.965 -8.075 1.00 0.00 C ATOM 153 O GLY A 492 -15.172 8.048 -8.158 1.00 0.00 O ATOM 0 H GLY A 492 -15.720 4.363 -10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 492 -16.468 7.001 -10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 492 -17.226 5.780 -9.102 1.00 0.00 H new ATOM 157 N LEU A 493 -15.955 6.339 -6.920 1.00 0.00 N ATOM 158 CA LEU A 493 -15.494 6.915 -5.663 1.00 0.00 C ATOM 159 C LEU A 493 -14.076 7.456 -5.814 1.00 0.00 C ATOM 160 O LEU A 493 -13.632 8.297 -5.030 1.00 0.00 O ATOM 161 CB LEU A 493 -15.530 5.857 -4.553 1.00 0.00 C ATOM 162 CG LEU A 493 -14.671 4.643 -4.950 1.00 0.00 C ATOM 163 CD1 LEU A 493 -13.304 4.722 -4.263 1.00 0.00 C ATOM 164 CD2 LEU A 493 -15.375 3.353 -4.516 1.00 0.00 C ATOM 0 H LEU A 493 -16.432 5.442 -6.829 1.00 0.00 H new ATOM 0 HA LEU A 493 -16.158 7.737 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -15.161 6.284 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -16.558 5.542 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 493 -14.534 4.645 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -12.703 3.859 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -12.795 5.636 -4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -13.440 4.727 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -14.766 2.494 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -15.514 3.361 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -16.346 3.286 -5.006 1.00 0.00 H new ATOM 176 N GLY A 494 -13.372 6.972 -6.833 1.00 0.00 N ATOM 177 CA GLY A 494 -12.008 7.417 -7.083 1.00 0.00 C ATOM 178 C GLY A 494 -11.962 8.925 -7.299 1.00 0.00 C ATOM 179 O GLY A 494 -11.870 9.695 -6.346 1.00 0.00 O ATOM 0 H GLY A 494 -13.721 6.277 -7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 494 -11.372 7.146 -6.240 1.00 0.00 H new ATOM 0 HA3 GLY A 494 -11.609 6.907 -7.960 1.00 0.00 H new ATOM 183 N ILE A 495 -12.035 9.341 -8.558 1.00 0.00 N ATOM 184 CA ILE A 495 -12.005 10.762 -8.887 1.00 0.00 C ATOM 185 C ILE A 495 -12.936 11.554 -7.968 1.00 0.00 C ATOM 186 O ILE A 495 -12.921 12.784 -7.967 1.00 0.00 O ATOM 187 CB ILE A 495 -12.427 10.963 -10.344 1.00 0.00 C ATOM 188 CG1 ILE A 495 -12.228 12.429 -10.739 1.00 0.00 C ATOM 189 CG2 ILE A 495 -13.902 10.589 -10.504 1.00 0.00 C ATOM 190 CD1 ILE A 495 -12.317 12.564 -12.260 1.00 0.00 C ATOM 0 H ILE A 495 -12.115 8.720 -9.363 1.00 0.00 H new ATOM 0 HA ILE A 495 -10.988 11.127 -8.746 1.00 0.00 H new ATOM 0 HB ILE A 495 -11.818 10.328 -10.988 1.00 0.00 H new ATOM 0 HG12 ILE A 495 -12.986 13.051 -10.263 1.00 0.00 H new ATOM 0 HG13 ILE A 495 -11.259 12.783 -10.388 1.00 0.00 H new ATOM 0 HG21 ILE A 495 -14.203 10.732 -11.542 1.00 0.00 H new ATOM 0 HG22 ILE A 495 -14.045 9.545 -10.225 1.00 0.00 H new ATOM 0 HG23 ILE A 495 -14.510 11.223 -9.859 1.00 0.00 H new ATOM 0 HD11 ILE A 495 -12.175 13.607 -12.542 1.00 0.00 H new ATOM 0 HD12 ILE A 495 -11.543 11.954 -12.725 1.00 0.00 H new ATOM 0 HD13 ILE A 495 -13.297 12.227 -12.599 1.00 0.00 H new ATOM 202 N ALA A 496 -13.749 10.841 -7.193 1.00 0.00 N ATOM 203 CA ALA A 496 -14.686 11.487 -6.282 1.00 0.00 C ATOM 204 C ALA A 496 -13.972 12.063 -5.059 1.00 0.00 C ATOM 205 O ALA A 496 -14.394 13.083 -4.515 1.00 0.00 O ATOM 206 CB ALA A 496 -15.745 10.481 -5.828 1.00 0.00 C ATOM 0 H ALA A 496 -13.777 9.822 -7.178 1.00 0.00 H new ATOM 0 HA ALA A 496 -15.160 12.309 -6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 496 -16.443 10.969 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 496 -16.287 10.107 -6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 496 -15.261 9.649 -5.316 1.00 0.00 H new ATOM 212 N PHE A 497 -12.899 11.406 -4.617 1.00 0.00 N ATOM 213 CA PHE A 497 -12.167 11.886 -3.446 1.00 0.00 C ATOM 214 C PHE A 497 -11.806 13.363 -3.600 1.00 0.00 C ATOM 215 O PHE A 497 -11.338 14.003 -2.659 1.00 0.00 O ATOM 216 CB PHE A 497 -10.895 11.051 -3.215 1.00 0.00 C ATOM 217 CG PHE A 497 -10.276 10.626 -4.531 1.00 0.00 C ATOM 218 CD1 PHE A 497 -9.987 11.575 -5.524 1.00 0.00 C ATOM 219 CD2 PHE A 497 -9.978 9.274 -4.755 1.00 0.00 C ATOM 220 CE1 PHE A 497 -9.409 11.172 -6.732 1.00 0.00 C ATOM 221 CE2 PHE A 497 -9.399 8.874 -5.965 1.00 0.00 C ATOM 222 CZ PHE A 497 -9.115 9.823 -6.954 1.00 0.00 C ATOM 0 H PHE A 497 -12.524 10.558 -5.042 1.00 0.00 H new ATOM 0 HA PHE A 497 -12.816 11.776 -2.578 1.00 0.00 H new ATOM 0 HB2 PHE A 497 -10.174 11.633 -2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 497 -11.138 10.169 -2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 497 -10.211 12.618 -5.355 1.00 0.00 H new ATOM 0 HD2 PHE A 497 -10.196 8.540 -3.993 1.00 0.00 H new ATOM 0 HE1 PHE A 497 -9.189 11.904 -7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 497 -9.171 7.832 -6.136 1.00 0.00 H new ATOM 0 HZ PHE A 497 -8.669 9.514 -7.888 1.00 0.00 H new ATOM 232 N ALA A 498 -12.029 13.893 -4.794 1.00 0.00 N ATOM 233 CA ALA A 498 -11.731 15.292 -5.082 1.00 0.00 C ATOM 234 C ALA A 498 -12.880 16.190 -4.633 1.00 0.00 C ATOM 235 O ALA A 498 -12.811 17.413 -4.754 1.00 0.00 O ATOM 236 CB ALA A 498 -11.492 15.475 -6.582 1.00 0.00 C ATOM 0 H ALA A 498 -12.417 13.375 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 498 -10.832 15.573 -4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 498 -11.270 16.522 -6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 498 -10.651 14.857 -6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 498 -12.385 15.177 -7.132 1.00 0.00 H new ATOM 242 N GLY A 499 -13.952 15.569 -4.155 1.00 0.00 N ATOM 243 CA GLY A 499 -15.135 16.311 -3.734 1.00 0.00 C ATOM 244 C GLY A 499 -14.793 17.533 -2.882 1.00 0.00 C ATOM 245 O GLY A 499 -15.213 18.643 -3.211 1.00 0.00 O ATOM 0 H GLY A 499 -14.027 14.557 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -15.690 16.632 -4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -15.791 15.650 -3.167 1.00 0.00 H new ATOM 249 N SER A 500 -14.042 17.352 -1.792 1.00 0.00 N ATOM 250 CA SER A 500 -13.699 18.501 -0.948 1.00 0.00 C ATOM 251 C SER A 500 -12.235 18.494 -0.506 1.00 0.00 C ATOM 252 O SER A 500 -11.460 19.360 -0.910 1.00 0.00 O ATOM 253 CB SER A 500 -14.594 18.510 0.291 1.00 0.00 C ATOM 254 OG SER A 500 -14.411 17.296 1.008 1.00 0.00 O ATOM 0 H SER A 500 -13.671 16.455 -1.480 1.00 0.00 H new ATOM 0 HA SER A 500 -13.857 19.397 -1.548 1.00 0.00 H new ATOM 0 HB2 SER A 500 -14.349 19.362 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 500 -15.638 18.620 -0.001 1.00 0.00 H new ATOM 0 HG SER A 500 -14.889 17.345 1.862 1.00 0.00 H new ATOM 260 N LYS A 501 -11.861 17.530 0.336 1.00 0.00 N ATOM 261 CA LYS A 501 -10.484 17.454 0.831 1.00 0.00 C ATOM 262 C LYS A 501 -9.825 16.127 0.468 1.00 0.00 C ATOM 263 O LYS A 501 -8.606 16.063 0.325 1.00 0.00 O ATOM 264 CB LYS A 501 -10.468 17.630 2.355 1.00 0.00 C ATOM 265 CG LYS A 501 -9.046 17.979 2.837 1.00 0.00 C ATOM 266 CD LYS A 501 -8.338 16.714 3.343 1.00 0.00 C ATOM 267 CE LYS A 501 -6.823 16.920 3.291 1.00 0.00 C ATOM 268 NZ LYS A 501 -6.496 18.320 3.682 1.00 0.00 N ATOM 0 H LYS A 501 -12.481 16.800 0.686 1.00 0.00 H new ATOM 0 HA LYS A 501 -9.918 18.255 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 501 -11.162 18.419 2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 501 -10.809 16.714 2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 501 -8.476 18.423 2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 501 -9.095 18.722 3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 501 -8.651 16.493 4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 501 -8.620 15.857 2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 501 -6.327 16.219 3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 501 -6.452 16.716 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 -5.514 18.365 4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 -6.606 18.945 2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 -7.139 18.628 4.439 1.00 0.00 H new ATOM 282 N ASN A 502 -10.640 15.078 0.341 1.00 0.00 N ATOM 283 CA ASN A 502 -10.145 13.737 0.013 1.00 0.00 C ATOM 284 C ASN A 502 -9.881 12.937 1.288 1.00 0.00 C ATOM 285 O ASN A 502 -9.327 11.839 1.240 1.00 0.00 O ATOM 286 CB ASN A 502 -8.863 13.807 -0.842 1.00 0.00 C ATOM 287 CG ASN A 502 -7.611 13.821 0.037 1.00 0.00 C ATOM 288 OD1 ASN A 502 -7.677 14.168 1.217 1.00 0.00 O ATOM 289 ND2 ASN A 502 -6.466 13.463 -0.475 1.00 0.00 N ATOM 0 H ASN A 502 -11.652 15.131 0.461 1.00 0.00 H new ATOM 0 HA ASN A 502 -10.916 13.232 -0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 502 -8.826 12.952 -1.518 1.00 0.00 H new ATOM 0 HB3 ASN A 502 -8.885 14.703 -1.462 1.00 0.00 H new ATOM 0 HD21 ASN A 502 -5.625 13.470 0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 502 -6.412 13.176 -1.452 1.00 0.00 H new ATOM 296 N ASP A 503 -10.281 13.497 2.427 1.00 0.00 N ATOM 297 CA ASP A 503 -10.083 12.828 3.709 1.00 0.00 C ATOM 298 C ASP A 503 -11.134 11.739 3.914 1.00 0.00 C ATOM 299 O ASP A 503 -10.844 10.679 4.469 1.00 0.00 O ATOM 300 CB ASP A 503 -10.162 13.854 4.851 1.00 0.00 C ATOM 301 CG ASP A 503 -8.906 13.786 5.716 1.00 0.00 C ATOM 302 OD1 ASP A 503 -7.902 14.349 5.312 1.00 0.00 O ATOM 303 OD2 ASP A 503 -8.968 13.171 6.768 1.00 0.00 O ATOM 0 H ASP A 503 -10.741 14.405 2.488 1.00 0.00 H new ATOM 0 HA ASP A 503 -9.097 12.363 3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 503 -10.274 14.857 4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 503 -11.043 13.660 5.462 1.00 0.00 H new ATOM 308 N GLU A 504 -12.356 12.010 3.468 1.00 0.00 N ATOM 309 CA GLU A 504 -13.443 11.048 3.611 1.00 0.00 C ATOM 310 C GLU A 504 -13.029 9.685 3.064 1.00 0.00 C ATOM 311 O GLU A 504 -13.025 8.689 3.786 1.00 0.00 O ATOM 312 CB GLU A 504 -14.682 11.544 2.865 1.00 0.00 C ATOM 313 CG GLU A 504 -15.314 12.702 3.640 1.00 0.00 C ATOM 314 CD GLU A 504 -14.300 13.828 3.812 1.00 0.00 C ATOM 315 OE1 GLU A 504 -14.191 14.643 2.911 1.00 0.00 O ATOM 316 OE2 GLU A 504 -13.647 13.858 4.842 1.00 0.00 O ATOM 0 H GLU A 504 -12.618 12.882 3.007 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.674 10.946 4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -14.409 11.870 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -15.401 10.732 2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -16.192 13.070 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -15.654 12.355 4.616 1.00 0.00 H new ATOM 323 N VAL A 505 -12.685 9.651 1.782 1.00 0.00 N ATOM 324 CA VAL A 505 -12.275 8.407 1.142 1.00 0.00 C ATOM 325 C VAL A 505 -11.157 7.737 1.946 1.00 0.00 C ATOM 326 O VAL A 505 -11.133 6.514 2.086 1.00 0.00 O ATOM 327 CB VAL A 505 -11.820 8.700 -0.304 1.00 0.00 C ATOM 328 CG1 VAL A 505 -10.483 8.015 -0.613 1.00 0.00 C ATOM 329 CG2 VAL A 505 -12.880 8.192 -1.288 1.00 0.00 C ATOM 0 H VAL A 505 -12.682 10.466 1.168 1.00 0.00 H new ATOM 0 HA VAL A 505 -13.120 7.719 1.111 1.00 0.00 H new ATOM 0 HB VAL A 505 -11.693 9.778 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 505 -10.188 8.239 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 505 -9.719 8.381 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 505 -10.590 6.937 -0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 505 -12.558 8.399 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 505 -13.010 7.117 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 505 -13.826 8.698 -1.096 1.00 0.00 H new ATOM 339 N LEU A 506 -10.236 8.541 2.469 1.00 0.00 N ATOM 340 CA LEU A 506 -9.127 8.004 3.252 1.00 0.00 C ATOM 341 C LEU A 506 -9.636 7.353 4.535 1.00 0.00 C ATOM 342 O LEU A 506 -9.012 6.436 5.067 1.00 0.00 O ATOM 343 CB LEU A 506 -8.138 9.126 3.598 1.00 0.00 C ATOM 344 CG LEU A 506 -7.062 8.599 4.566 1.00 0.00 C ATOM 345 CD1 LEU A 506 -5.696 9.180 4.191 1.00 0.00 C ATOM 346 CD2 LEU A 506 -7.405 9.015 6.003 1.00 0.00 C ATOM 0 H LEU A 506 -10.234 9.556 2.367 1.00 0.00 H new ATOM 0 HA LEU A 506 -8.621 7.246 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -7.669 9.502 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -8.669 9.963 4.052 1.00 0.00 H new ATOM 0 HG LEU A 506 -7.029 7.512 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -4.939 8.804 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -5.441 8.883 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -5.734 10.268 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -6.640 8.639 6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -7.445 10.102 6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -8.373 8.599 6.281 1.00 0.00 H new ATOM 358 N GLY A 507 -10.769 7.840 5.034 1.00 0.00 N ATOM 359 CA GLY A 507 -11.345 7.303 6.262 1.00 0.00 C ATOM 360 C GLY A 507 -12.069 5.982 6.012 1.00 0.00 C ATOM 361 O GLY A 507 -12.187 5.152 6.914 1.00 0.00 O ATOM 0 H GLY A 507 -11.302 8.599 4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -10.556 7.153 6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -12.042 8.027 6.684 1.00 0.00 H new ATOM 365 N LEU A 508 -12.558 5.794 4.791 1.00 0.00 N ATOM 366 CA LEU A 508 -13.276 4.569 4.445 1.00 0.00 C ATOM 367 C LEU A 508 -12.310 3.475 3.994 1.00 0.00 C ATOM 368 O LEU A 508 -12.418 2.324 4.420 1.00 0.00 O ATOM 369 CB LEU A 508 -14.288 4.858 3.327 1.00 0.00 C ATOM 370 CG LEU A 508 -15.622 5.299 3.936 1.00 0.00 C ATOM 371 CD1 LEU A 508 -15.417 6.577 4.751 1.00 0.00 C ATOM 372 CD2 LEU A 508 -16.626 5.568 2.813 1.00 0.00 C ATOM 0 H LEU A 508 -12.472 6.467 4.029 1.00 0.00 H new ATOM 0 HA LEU A 508 -13.801 4.219 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 508 -13.903 5.637 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 508 -14.433 3.967 2.716 1.00 0.00 H new ATOM 0 HG LEU A 508 -16.002 4.512 4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 508 -16.368 6.889 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 508 -14.700 6.388 5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 508 -15.038 7.366 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 508 -17.577 5.882 3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 508 -16.243 6.356 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 508 -16.774 4.658 2.231 1.00 0.00 H new ATOM 384 N LEU A 509 -11.376 3.834 3.121 1.00 0.00 N ATOM 385 CA LEU A 509 -10.408 2.865 2.613 1.00 0.00 C ATOM 386 C LEU A 509 -9.560 2.294 3.750 1.00 0.00 C ATOM 387 O LEU A 509 -9.388 1.080 3.854 1.00 0.00 O ATOM 388 CB LEU A 509 -9.501 3.532 1.569 1.00 0.00 C ATOM 389 CG LEU A 509 -10.055 3.282 0.162 1.00 0.00 C ATOM 390 CD1 LEU A 509 -11.447 3.906 0.040 1.00 0.00 C ATOM 391 CD2 LEU A 509 -9.122 3.918 -0.870 1.00 0.00 C ATOM 0 H LEU A 509 -11.267 4.779 2.752 1.00 0.00 H new ATOM 0 HA LEU A 509 -10.955 2.045 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -9.439 4.603 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -8.489 3.135 1.647 1.00 0.00 H new ATOM 0 HG LEU A 509 -10.122 2.209 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -11.839 3.727 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -12.113 3.456 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -11.381 4.979 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -9.514 3.742 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -9.057 4.991 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -8.130 3.475 -0.785 1.00 0.00 H new ATOM 403 N LEU A 510 -9.030 3.171 4.596 1.00 0.00 N ATOM 404 CA LEU A 510 -8.198 2.729 5.712 1.00 0.00 C ATOM 405 C LEU A 510 -8.844 1.539 6.430 1.00 0.00 C ATOM 406 O LEU A 510 -8.307 0.431 6.400 1.00 0.00 O ATOM 407 CB LEU A 510 -7.968 3.891 6.698 1.00 0.00 C ATOM 408 CG LEU A 510 -6.594 4.546 6.467 1.00 0.00 C ATOM 409 CD1 LEU A 510 -5.493 3.676 7.084 1.00 0.00 C ATOM 410 CD2 LEU A 510 -6.333 4.727 4.961 1.00 0.00 C ATOM 0 H LEU A 510 -9.159 4.181 4.533 1.00 0.00 H new ATOM 0 HA LEU A 510 -7.234 2.408 5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 510 -8.755 4.636 6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 510 -8.032 3.522 7.722 1.00 0.00 H new ATOM 0 HG LEU A 510 -6.589 5.526 6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 510 -4.523 4.144 6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 510 -5.667 3.574 8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 510 -5.505 2.690 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 510 -5.358 5.191 4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 510 -6.350 3.754 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 510 -7.106 5.364 4.532 1.00 0.00 H new ATOM 422 N PRO A 511 -9.970 1.737 7.069 1.00 0.00 N ATOM 423 CA PRO A 511 -10.670 0.644 7.796 1.00 0.00 C ATOM 424 C PRO A 511 -10.772 -0.625 6.950 1.00 0.00 C ATOM 425 O PRO A 511 -10.480 -1.723 7.425 1.00 0.00 O ATOM 426 CB PRO A 511 -12.067 1.211 8.113 1.00 0.00 C ATOM 427 CG PRO A 511 -12.117 2.604 7.552 1.00 0.00 C ATOM 428 CD PRO A 511 -10.691 3.009 7.169 1.00 0.00 C ATOM 0 HA PRO A 511 -10.129 0.351 8.696 1.00 0.00 H new ATOM 0 HB2 PRO A 511 -12.845 0.589 7.670 1.00 0.00 H new ATOM 0 HB3 PRO A 511 -12.243 1.223 9.189 1.00 0.00 H new ATOM 0 HG2 PRO A 511 -12.771 2.641 6.681 1.00 0.00 H new ATOM 0 HG3 PRO A 511 -12.526 3.297 8.287 1.00 0.00 H new ATOM 0 HD2 PRO A 511 -10.672 3.553 6.225 1.00 0.00 H new ATOM 0 HD3 PRO A 511 -10.246 3.661 7.921 1.00 0.00 H new ATOM 436 N ILE A 512 -11.184 -0.466 5.696 1.00 0.00 N ATOM 437 CA ILE A 512 -11.316 -1.606 4.796 1.00 0.00 C ATOM 438 C ILE A 512 -9.942 -2.143 4.408 1.00 0.00 C ATOM 439 O ILE A 512 -9.808 -3.300 4.008 1.00 0.00 O ATOM 440 CB ILE A 512 -12.078 -1.190 3.536 1.00 0.00 C ATOM 441 CG1 ILE A 512 -13.492 -0.748 3.919 1.00 0.00 C ATOM 442 CG2 ILE A 512 -12.159 -2.377 2.572 1.00 0.00 C ATOM 443 CD1 ILE A 512 -14.154 -0.063 2.722 1.00 0.00 C ATOM 0 H ILE A 512 -11.430 0.433 5.283 1.00 0.00 H new ATOM 0 HA ILE A 512 -11.868 -2.391 5.312 1.00 0.00 H new ATOM 0 HB ILE A 512 -11.556 -0.364 3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -14.082 -1.610 4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -13.454 -0.065 4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 512 -12.702 -2.080 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -11.152 -2.694 2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -12.681 -3.203 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -15.161 0.252 2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -13.567 0.808 2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 512 -14.206 -0.761 1.886 1.00 0.00 H new ATOM 455 N ALA A 513 -8.925 -1.296 4.530 1.00 0.00 N ATOM 456 CA ALA A 513 -7.563 -1.697 4.189 1.00 0.00 C ATOM 457 C ALA A 513 -6.938 -2.493 5.329 1.00 0.00 C ATOM 458 O ALA A 513 -6.119 -3.383 5.102 1.00 0.00 O ATOM 459 CB ALA A 513 -6.712 -0.458 3.902 1.00 0.00 C ATOM 0 H ALA A 513 -9.016 -0.335 4.860 1.00 0.00 H new ATOM 0 HA ALA A 513 -7.600 -2.327 3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 513 -5.697 -0.764 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 513 -7.144 0.094 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 513 -6.688 0.180 4.786 1.00 0.00 H new ATOM 465 N ALA A 514 -7.330 -2.167 6.556 1.00 0.00 N ATOM 466 CA ALA A 514 -6.802 -2.858 7.727 1.00 0.00 C ATOM 467 C ALA A 514 -7.546 -4.172 7.953 1.00 0.00 C ATOM 468 O ALA A 514 -7.775 -4.580 9.090 1.00 0.00 O ATOM 469 CB ALA A 514 -6.941 -1.972 8.967 1.00 0.00 C ATOM 0 H ALA A 514 -8.007 -1.433 6.765 1.00 0.00 H new ATOM 0 HA ALA A 514 -5.748 -3.073 7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -6.544 -2.497 9.836 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -6.385 -1.046 8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -7.993 -1.740 9.133 1.00 0.00 H new ATOM 475 N SER A 515 -7.923 -4.827 6.857 1.00 0.00 N ATOM 476 CA SER A 515 -8.641 -6.095 6.941 1.00 0.00 C ATOM 477 C SER A 515 -8.107 -7.081 5.907 1.00 0.00 C ATOM 478 O SER A 515 -8.758 -7.353 4.899 1.00 0.00 O ATOM 479 CB SER A 515 -10.134 -5.864 6.704 1.00 0.00 C ATOM 480 OG SER A 515 -10.314 -5.192 5.463 1.00 0.00 O ATOM 0 H SER A 515 -7.744 -4.503 5.907 1.00 0.00 H new ATOM 0 HA SER A 515 -8.491 -6.512 7.937 1.00 0.00 H new ATOM 0 HB2 SER A 515 -10.664 -6.816 6.695 1.00 0.00 H new ATOM 0 HB3 SER A 515 -10.556 -5.272 7.516 1.00 0.00 H new ATOM 0 HG SER A 515 -9.746 -4.393 5.438 1.00 0.00 H new ATOM 486 N THR A 516 -6.915 -7.612 6.166 1.00 0.00 N ATOM 487 CA THR A 516 -6.297 -8.566 5.253 1.00 0.00 C ATOM 488 C THR A 516 -7.280 -9.673 4.882 1.00 0.00 C ATOM 489 O THR A 516 -7.021 -10.465 3.976 1.00 0.00 O ATOM 490 CB THR A 516 -5.057 -9.182 5.903 1.00 0.00 C ATOM 491 OG1 THR A 516 -5.403 -9.702 7.178 1.00 0.00 O ATOM 492 CG2 THR A 516 -3.978 -8.111 6.062 1.00 0.00 C ATOM 0 H THR A 516 -6.361 -7.399 6.996 1.00 0.00 H new ATOM 0 HA THR A 516 -6.008 -8.034 4.346 1.00 0.00 H new ATOM 0 HB THR A 516 -4.677 -9.986 5.273 1.00 0.00 H new ATOM 0 HG1 THR A 516 -4.610 -10.099 7.596 1.00 0.00 H new ATOM 0 HG21 THR A 516 -3.095 -8.550 6.525 1.00 0.00 H new ATOM 0 HG22 THR A 516 -3.714 -7.712 5.082 1.00 0.00 H new ATOM 0 HG23 THR A 516 -4.355 -7.305 6.692 1.00 0.00 H new ATOM 500 N ASP A 517 -8.405 -9.721 5.589 1.00 0.00 N ATOM 501 CA ASP A 517 -9.421 -10.736 5.329 1.00 0.00 C ATOM 502 C ASP A 517 -9.565 -10.989 3.831 1.00 0.00 C ATOM 503 O ASP A 517 -9.465 -12.128 3.373 1.00 0.00 O ATOM 504 CB ASP A 517 -10.765 -10.286 5.904 1.00 0.00 C ATOM 505 CG ASP A 517 -10.727 -10.351 7.427 1.00 0.00 C ATOM 506 OD1 ASP A 517 -9.637 -10.330 7.973 1.00 0.00 O ATOM 507 OD2 ASP A 517 -11.788 -10.420 8.023 1.00 0.00 O ATOM 0 H ASP A 517 -8.636 -9.073 6.342 1.00 0.00 H new ATOM 0 HA ASP A 517 -9.109 -11.663 5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 517 -10.986 -9.269 5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 517 -11.564 -10.923 5.524 1.00 0.00 H new ATOM 512 N LEU A 518 -9.798 -9.923 3.073 1.00 0.00 N ATOM 513 CA LEU A 518 -9.952 -10.045 1.627 1.00 0.00 C ATOM 514 C LEU A 518 -8.581 -10.059 0.948 1.00 0.00 C ATOM 515 O LEU A 518 -7.617 -9.503 1.474 1.00 0.00 O ATOM 516 CB LEU A 518 -10.787 -8.874 1.087 1.00 0.00 C ATOM 517 CG LEU A 518 -10.529 -7.618 1.935 1.00 0.00 C ATOM 518 CD1 LEU A 518 -10.683 -6.368 1.066 1.00 0.00 C ATOM 519 CD2 LEU A 518 -11.538 -7.557 3.089 1.00 0.00 C ATOM 0 H LEU A 518 -9.884 -8.972 3.431 1.00 0.00 H new ATOM 0 HA LEU A 518 -10.465 -10.982 1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -10.529 -8.681 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -11.846 -9.129 1.111 1.00 0.00 H new ATOM 0 HG LEU A 518 -9.517 -7.661 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -10.499 -5.480 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -9.965 -6.404 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -11.694 -6.329 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -11.352 -6.666 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -12.550 -7.519 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -11.430 -8.443 3.714 1.00 0.00 H new ATOM 531 N PRO A 519 -8.475 -10.682 -0.199 1.00 0.00 N ATOM 532 CA PRO A 519 -7.191 -10.762 -0.949 1.00 0.00 C ATOM 533 C PRO A 519 -6.491 -9.406 -1.021 1.00 0.00 C ATOM 534 O PRO A 519 -7.135 -8.360 -0.953 1.00 0.00 O ATOM 535 CB PRO A 519 -7.587 -11.254 -2.354 1.00 0.00 C ATOM 536 CG PRO A 519 -9.081 -11.426 -2.355 1.00 0.00 C ATOM 537 CD PRO A 519 -9.559 -11.374 -0.904 1.00 0.00 C ATOM 0 HA PRO A 519 -6.481 -11.430 -0.460 1.00 0.00 H new ATOM 0 HB2 PRO A 519 -7.281 -10.536 -3.115 1.00 0.00 H new ATOM 0 HB3 PRO A 519 -7.090 -12.196 -2.587 1.00 0.00 H new ATOM 0 HG2 PRO A 519 -9.556 -10.639 -2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 519 -9.356 -12.376 -2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 519 -10.502 -10.835 -0.813 1.00 0.00 H new ATOM 0 HD3 PRO A 519 -9.723 -12.374 -0.501 1.00 0.00 H new ATOM 545 N ILE A 520 -5.169 -9.434 -1.162 1.00 0.00 N ATOM 546 CA ILE A 520 -4.393 -8.202 -1.244 1.00 0.00 C ATOM 547 C ILE A 520 -4.639 -7.503 -2.577 1.00 0.00 C ATOM 548 O ILE A 520 -4.306 -6.329 -2.745 1.00 0.00 O ATOM 549 CB ILE A 520 -2.902 -8.512 -1.099 1.00 0.00 C ATOM 550 CG1 ILE A 520 -2.503 -9.587 -2.116 1.00 0.00 C ATOM 551 CG2 ILE A 520 -2.620 -9.019 0.316 1.00 0.00 C ATOM 552 CD1 ILE A 520 -0.998 -9.861 -2.026 1.00 0.00 C ATOM 0 H ILE A 520 -4.617 -10.289 -1.221 1.00 0.00 H new ATOM 0 HA ILE A 520 -4.708 -7.543 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 520 -2.324 -7.606 -1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 520 -3.060 -10.504 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 520 -2.762 -9.260 -3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 520 -1.557 -9.240 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -2.903 -8.255 1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 520 -3.198 -9.925 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 520 -0.723 -10.626 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 520 -0.448 -8.944 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 520 -0.751 -10.208 -1.023 1.00 0.00 H new ATOM 564 N GLU A 521 -5.224 -8.232 -3.522 1.00 0.00 N ATOM 565 CA GLU A 521 -5.510 -7.672 -4.839 1.00 0.00 C ATOM 566 C GLU A 521 -6.493 -6.511 -4.726 1.00 0.00 C ATOM 567 O GLU A 521 -6.337 -5.487 -5.391 1.00 0.00 O ATOM 568 CB GLU A 521 -6.099 -8.753 -5.747 1.00 0.00 C ATOM 569 CG GLU A 521 -5.175 -9.973 -5.755 1.00 0.00 C ATOM 570 CD GLU A 521 -5.767 -11.069 -6.633 1.00 0.00 C ATOM 571 OE1 GLU A 521 -5.799 -10.883 -7.838 1.00 0.00 O ATOM 572 OE2 GLU A 521 -6.180 -12.080 -6.088 1.00 0.00 O ATOM 0 H GLU A 521 -5.508 -9.204 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 521 -4.578 -7.304 -5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 521 -7.091 -9.037 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 521 -6.218 -8.367 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 521 -4.190 -9.691 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 521 -5.039 -10.343 -4.739 1.00 0.00 H new ATOM 579 N THR A 522 -7.504 -6.680 -3.881 1.00 0.00 N ATOM 580 CA THR A 522 -8.508 -5.642 -3.689 1.00 0.00 C ATOM 581 C THR A 522 -7.903 -4.436 -2.974 1.00 0.00 C ATOM 582 O THR A 522 -7.966 -3.312 -3.471 1.00 0.00 O ATOM 583 CB THR A 522 -9.675 -6.194 -2.868 1.00 0.00 C ATOM 584 OG1 THR A 522 -9.166 -6.961 -1.786 1.00 0.00 O ATOM 585 CG2 THR A 522 -10.552 -7.081 -3.753 1.00 0.00 C ATOM 0 H THR A 522 -7.649 -7.521 -3.322 1.00 0.00 H new ATOM 0 HA THR A 522 -8.869 -5.324 -4.667 1.00 0.00 H new ATOM 0 HB THR A 522 -10.272 -5.367 -2.483 1.00 0.00 H new ATOM 0 HG1 THR A 522 -9.615 -7.832 -1.762 1.00 0.00 H new ATOM 0 HG21 THR A 522 -11.383 -7.473 -3.166 1.00 0.00 H new ATOM 0 HG22 THR A 522 -10.941 -6.494 -4.585 1.00 0.00 H new ATOM 0 HG23 THR A 522 -9.958 -7.909 -4.140 1.00 0.00 H new ATOM 593 N ALA A 523 -7.319 -4.681 -1.805 1.00 0.00 N ATOM 594 CA ALA A 523 -6.708 -3.608 -1.029 1.00 0.00 C ATOM 595 C ALA A 523 -5.722 -2.821 -1.886 1.00 0.00 C ATOM 596 O ALA A 523 -5.492 -1.634 -1.653 1.00 0.00 O ATOM 597 CB ALA A 523 -5.981 -4.192 0.184 1.00 0.00 C ATOM 0 H ALA A 523 -7.256 -5.605 -1.377 1.00 0.00 H new ATOM 0 HA ALA A 523 -7.495 -2.934 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 523 -5.527 -3.385 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 523 -6.693 -4.729 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 523 -5.205 -4.879 -0.153 1.00 0.00 H new ATOM 603 N ALA A 524 -5.142 -3.489 -2.877 1.00 0.00 N ATOM 604 CA ALA A 524 -4.181 -2.843 -3.762 1.00 0.00 C ATOM 605 C ALA A 524 -4.870 -1.785 -4.618 1.00 0.00 C ATOM 606 O ALA A 524 -4.562 -0.597 -4.520 1.00 0.00 O ATOM 607 CB ALA A 524 -3.521 -3.885 -4.666 1.00 0.00 C ATOM 0 H ALA A 524 -5.319 -4.471 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 524 -3.419 -2.360 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 524 -2.804 -3.394 -5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 524 -3.004 -4.623 -4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 524 -4.284 -4.381 -5.266 1.00 0.00 H new ATOM 613 N MET A 525 -5.804 -2.222 -5.458 1.00 0.00 N ATOM 614 CA MET A 525 -6.529 -1.300 -6.323 1.00 0.00 C ATOM 615 C MET A 525 -7.051 -0.116 -5.516 1.00 0.00 C ATOM 616 O MET A 525 -6.995 1.029 -5.964 1.00 0.00 O ATOM 617 CB MET A 525 -7.700 -2.021 -6.995 1.00 0.00 C ATOM 618 CG MET A 525 -7.169 -2.948 -8.090 1.00 0.00 C ATOM 619 SD MET A 525 -6.712 -1.965 -9.541 1.00 0.00 S ATOM 620 CE MET A 525 -5.249 -2.919 -10.015 1.00 0.00 C ATOM 0 H MET A 525 -6.074 -3.201 -5.557 1.00 0.00 H new ATOM 0 HA MET A 525 -5.846 -0.933 -7.089 1.00 0.00 H new ATOM 0 HB2 MET A 525 -8.259 -2.596 -6.257 1.00 0.00 H new ATOM 0 HB3 MET A 525 -8.391 -1.294 -7.423 1.00 0.00 H new ATOM 0 HG2 MET A 525 -6.304 -3.502 -7.725 1.00 0.00 H new ATOM 0 HG3 MET A 525 -7.928 -3.683 -8.359 1.00 0.00 H new ATOM 0 HE1 MET A 525 -4.800 -2.479 -10.906 1.00 0.00 H new ATOM 0 HE2 MET A 525 -4.526 -2.905 -9.200 1.00 0.00 H new ATOM 0 HE3 MET A 525 -5.539 -3.949 -10.226 1.00 0.00 H new ATOM 630 N ALA A 526 -7.555 -0.402 -4.320 1.00 0.00 N ATOM 631 CA ALA A 526 -8.082 0.645 -3.453 1.00 0.00 C ATOM 632 C ALA A 526 -6.962 1.581 -3.011 1.00 0.00 C ATOM 633 O ALA A 526 -7.137 2.799 -2.971 1.00 0.00 O ATOM 634 CB ALA A 526 -8.743 0.020 -2.224 1.00 0.00 C ATOM 0 H ALA A 526 -7.610 -1.343 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 526 -8.823 1.218 -4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 526 -9.134 0.808 -1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 526 -9.560 -0.629 -2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 526 -8.007 -0.566 -1.673 1.00 0.00 H new ATOM 640 N SER A 527 -5.810 1.003 -2.681 1.00 0.00 N ATOM 641 CA SER A 527 -4.668 1.796 -2.246 1.00 0.00 C ATOM 642 C SER A 527 -4.238 2.760 -3.347 1.00 0.00 C ATOM 643 O SER A 527 -3.994 3.939 -3.092 1.00 0.00 O ATOM 644 CB SER A 527 -3.501 0.876 -1.886 1.00 0.00 C ATOM 645 OG SER A 527 -3.877 0.043 -0.797 1.00 0.00 O ATOM 0 H SER A 527 -5.645 -0.003 -2.707 1.00 0.00 H new ATOM 0 HA SER A 527 -4.960 2.371 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 527 -3.225 0.266 -2.746 1.00 0.00 H new ATOM 0 HB3 SER A 527 -2.625 1.468 -1.620 1.00 0.00 H new ATOM 0 HG SER A 527 -4.217 -0.810 -1.140 1.00 0.00 H new ATOM 651 N LEU A 528 -4.152 2.251 -4.573 1.00 0.00 N ATOM 652 CA LEU A 528 -3.754 3.081 -5.704 1.00 0.00 C ATOM 653 C LEU A 528 -4.612 4.339 -5.761 1.00 0.00 C ATOM 654 O LEU A 528 -4.098 5.457 -5.711 1.00 0.00 O ATOM 655 CB LEU A 528 -3.902 2.292 -7.010 1.00 0.00 C ATOM 656 CG LEU A 528 -3.294 3.087 -8.182 1.00 0.00 C ATOM 657 CD1 LEU A 528 -2.567 2.130 -9.131 1.00 0.00 C ATOM 658 CD2 LEU A 528 -4.406 3.808 -8.953 1.00 0.00 C ATOM 0 H LEU A 528 -4.350 1.278 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 528 -2.711 3.370 -5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 528 -3.405 1.326 -6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 528 -4.955 2.091 -7.205 1.00 0.00 H new ATOM 0 HG LEU A 528 -2.590 3.819 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 528 -2.138 2.695 -9.959 1.00 0.00 H new ATOM 0 HD12 LEU A 528 -1.771 1.617 -8.591 1.00 0.00 H new ATOM 0 HD13 LEU A 528 -3.273 1.397 -9.520 1.00 0.00 H new ATOM 0 HD21 LEU A 528 -3.971 4.368 -9.780 1.00 0.00 H new ATOM 0 HD22 LEU A 528 -5.112 3.075 -9.343 1.00 0.00 H new ATOM 0 HD23 LEU A 528 -4.927 4.494 -8.284 1.00 0.00 H new ATOM 670 N ALA A 529 -5.924 4.150 -5.863 1.00 0.00 N ATOM 671 CA ALA A 529 -6.844 5.278 -5.919 1.00 0.00 C ATOM 672 C ALA A 529 -6.523 6.274 -4.812 1.00 0.00 C ATOM 673 O ALA A 529 -6.666 7.484 -4.987 1.00 0.00 O ATOM 674 CB ALA A 529 -8.285 4.784 -5.765 1.00 0.00 C ATOM 0 H ALA A 529 -6.370 3.234 -5.908 1.00 0.00 H new ATOM 0 HA ALA A 529 -6.734 5.772 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 529 -8.967 5.633 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 529 -8.520 4.089 -6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 529 -8.396 4.278 -4.806 1.00 0.00 H new ATOM 680 N LEU A 530 -6.085 5.752 -3.671 1.00 0.00 N ATOM 681 CA LEU A 530 -5.744 6.598 -2.536 1.00 0.00 C ATOM 682 C LEU A 530 -4.464 7.381 -2.825 1.00 0.00 C ATOM 683 O LEU A 530 -4.462 8.609 -2.806 1.00 0.00 O ATOM 684 CB LEU A 530 -5.558 5.730 -1.280 1.00 0.00 C ATOM 685 CG LEU A 530 -6.233 6.392 -0.074 1.00 0.00 C ATOM 686 CD1 LEU A 530 -6.202 5.435 1.119 1.00 0.00 C ATOM 687 CD2 LEU A 530 -5.485 7.676 0.289 1.00 0.00 C ATOM 0 H LEU A 530 -5.959 4.753 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 530 -6.555 7.306 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -5.984 4.741 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -4.496 5.590 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 530 -7.267 6.630 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -6.682 5.907 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -6.734 4.518 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -5.168 5.197 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -5.965 8.147 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -4.451 7.437 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -5.505 8.361 -0.559 1.00 0.00 H new ATOM 699 N ALA A 531 -3.381 6.662 -3.098 1.00 0.00 N ATOM 700 CA ALA A 531 -2.106 7.308 -3.394 1.00 0.00 C ATOM 701 C ALA A 531 -2.250 8.259 -4.577 1.00 0.00 C ATOM 702 O ALA A 531 -1.469 9.198 -4.731 1.00 0.00 O ATOM 703 CB ALA A 531 -1.049 6.250 -3.716 1.00 0.00 C ATOM 0 H ALA A 531 -3.358 5.643 -3.121 1.00 0.00 H new ATOM 0 HA ALA A 531 -1.796 7.878 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 531 -0.100 6.739 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 531 -0.926 5.587 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 531 -1.367 5.669 -4.582 1.00 0.00 H new ATOM 709 N HIS A 532 -3.251 8.006 -5.413 1.00 0.00 N ATOM 710 CA HIS A 532 -3.488 8.839 -6.587 1.00 0.00 C ATOM 711 C HIS A 532 -3.940 10.240 -6.184 1.00 0.00 C ATOM 712 O HIS A 532 -3.376 11.236 -6.636 1.00 0.00 O ATOM 713 CB HIS A 532 -4.554 8.197 -7.475 1.00 0.00 C ATOM 714 CG HIS A 532 -4.757 9.043 -8.703 1.00 0.00 C ATOM 715 ND1 HIS A 532 -4.420 8.600 -9.971 1.00 0.00 N ATOM 716 CD2 HIS A 532 -5.262 10.309 -8.870 1.00 0.00 C ATOM 717 CE1 HIS A 532 -4.722 9.583 -10.839 1.00 0.00 C ATOM 718 NE2 HIS A 532 -5.239 10.648 -10.219 1.00 0.00 N ATOM 0 H HIS A 532 -3.909 7.235 -5.301 1.00 0.00 H new ATOM 0 HA HIS A 532 -2.551 8.921 -7.137 1.00 0.00 H new ATOM 0 HB2 HIS A 532 -4.248 7.190 -7.760 1.00 0.00 H new ATOM 0 HB3 HIS A 532 -5.491 8.102 -6.926 1.00 0.00 H new ATOM 0 HD2 HIS A 532 -5.622 10.945 -8.075 1.00 0.00 H new ATOM 0 HE1 HIS A 532 -4.566 9.519 -11.906 1.00 0.00 H new ATOM 0 HE2 HIS A 532 -5.550 11.522 -10.644 1.00 0.00 H new ATOM 726 N VAL A 533 -4.966 10.313 -5.339 1.00 0.00 N ATOM 727 CA VAL A 533 -5.482 11.606 -4.899 1.00 0.00 C ATOM 728 C VAL A 533 -4.606 12.200 -3.797 1.00 0.00 C ATOM 729 O VAL A 533 -4.510 13.419 -3.663 1.00 0.00 O ATOM 730 CB VAL A 533 -6.924 11.454 -4.400 1.00 0.00 C ATOM 731 CG1 VAL A 533 -6.929 10.860 -2.989 1.00 0.00 C ATOM 732 CG2 VAL A 533 -7.601 12.828 -4.377 1.00 0.00 C ATOM 0 H VAL A 533 -5.450 9.504 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 533 -5.466 12.287 -5.750 1.00 0.00 H new ATOM 0 HB VAL A 533 -7.467 10.787 -5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 533 -7.957 10.755 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 533 -6.450 9.881 -3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 533 -6.384 11.520 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 533 -8.626 12.723 -4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 533 -7.053 13.493 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 533 -7.606 13.248 -5.383 1.00 0.00 H new ATOM 742 N PHE A 534 -3.970 11.334 -3.013 1.00 0.00 N ATOM 743 CA PHE A 534 -3.105 11.795 -1.929 1.00 0.00 C ATOM 744 C PHE A 534 -1.696 12.068 -2.448 1.00 0.00 C ATOM 745 O PHE A 534 -0.810 12.457 -1.686 1.00 0.00 O ATOM 746 CB PHE A 534 -3.055 10.746 -0.803 1.00 0.00 C ATOM 747 CG PHE A 534 -3.829 11.245 0.396 1.00 0.00 C ATOM 748 CD1 PHE A 534 -5.220 11.092 0.445 1.00 0.00 C ATOM 749 CD2 PHE A 534 -3.156 11.860 1.457 1.00 0.00 C ATOM 750 CE1 PHE A 534 -5.937 11.555 1.554 1.00 0.00 C ATOM 751 CE2 PHE A 534 -3.872 12.323 2.568 1.00 0.00 C ATOM 752 CZ PHE A 534 -5.263 12.171 2.616 1.00 0.00 C ATOM 0 H PHE A 534 -4.035 10.320 -3.105 1.00 0.00 H new ATOM 0 HA PHE A 534 -3.518 12.722 -1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 534 -3.476 9.803 -1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 534 -2.020 10.549 -0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 534 -5.740 10.616 -0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 534 -2.083 11.978 1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 534 -7.010 11.437 1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 534 -3.352 12.797 3.387 1.00 0.00 H new ATOM 0 HZ PHE A 534 -5.816 12.529 3.472 1.00 0.00 H new ATOM 762 N VAL A 535 -1.493 11.861 -3.744 1.00 0.00 N ATOM 763 CA VAL A 535 -0.183 12.092 -4.344 1.00 0.00 C ATOM 764 C VAL A 535 0.348 13.463 -3.941 1.00 0.00 C ATOM 765 O VAL A 535 1.534 13.753 -4.098 1.00 0.00 O ATOM 766 CB VAL A 535 -0.280 12.008 -5.868 1.00 0.00 C ATOM 767 CG1 VAL A 535 -1.300 13.032 -6.374 1.00 0.00 C ATOM 768 CG2 VAL A 535 1.090 12.307 -6.483 1.00 0.00 C ATOM 0 H VAL A 535 -2.209 11.537 -4.394 1.00 0.00 H new ATOM 0 HA VAL A 535 0.503 11.324 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 535 -0.598 11.006 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 535 -1.368 12.971 -7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 535 -2.276 12.820 -5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 535 -0.983 14.034 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 535 1.022 12.247 -7.569 1.00 0.00 H new ATOM 0 HG22 VAL A 535 1.408 13.309 -6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 535 1.817 11.578 -6.124 1.00 0.00 H new ATOM 778 N GLY A 536 -0.540 14.301 -3.413 1.00 0.00 N ATOM 779 CA GLY A 536 -0.156 15.641 -2.980 1.00 0.00 C ATOM 780 C GLY A 536 0.096 15.668 -1.478 1.00 0.00 C ATOM 781 O GLY A 536 1.156 16.097 -1.023 1.00 0.00 O ATOM 0 H GLY A 536 -1.526 14.077 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 536 0.742 15.957 -3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -0.943 16.351 -3.235 1.00 0.00 H new ATOM 785 N THR A 537 -0.886 15.201 -0.712 1.00 0.00 N ATOM 786 CA THR A 537 -0.765 15.170 0.741 1.00 0.00 C ATOM 787 C THR A 537 -0.106 13.871 1.190 1.00 0.00 C ATOM 788 O THR A 537 0.199 13.003 0.372 1.00 0.00 O ATOM 789 CB THR A 537 -2.149 15.290 1.383 1.00 0.00 C ATOM 790 OG1 THR A 537 -3.042 14.383 0.754 1.00 0.00 O ATOM 791 CG2 THR A 537 -2.669 16.719 1.217 1.00 0.00 C ATOM 0 H THR A 537 -1.770 14.841 -1.072 1.00 0.00 H new ATOM 0 HA THR A 537 -0.146 16.010 1.056 1.00 0.00 H new ATOM 0 HB THR A 537 -2.078 15.053 2.445 1.00 0.00 H new ATOM 0 HG1 THR A 537 -2.937 13.493 1.150 1.00 0.00 H new ATOM 0 HG21 THR A 537 -3.655 16.803 1.675 1.00 0.00 H new ATOM 0 HG22 THR A 537 -1.984 17.414 1.702 1.00 0.00 H new ATOM 0 HG23 THR A 537 -2.740 16.959 0.156 1.00 0.00 H new ATOM 799 N CYS A 538 0.112 13.743 2.494 1.00 0.00 N ATOM 800 CA CYS A 538 0.737 12.543 3.043 1.00 0.00 C ATOM 801 C CYS A 538 0.230 12.273 4.455 1.00 0.00 C ATOM 802 O CYS A 538 -0.237 13.181 5.144 1.00 0.00 O ATOM 803 CB CYS A 538 2.257 12.714 3.069 1.00 0.00 C ATOM 804 SG CYS A 538 3.031 11.148 3.547 1.00 0.00 S ATOM 0 H CYS A 538 -0.133 14.450 3.188 1.00 0.00 H new ATOM 0 HA CYS A 538 0.476 11.696 2.408 1.00 0.00 H new ATOM 0 HB2 CYS A 538 2.616 13.025 2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 538 2.534 13.499 3.773 1.00 0.00 H new ATOM 0 HG CYS A 538 4.323 11.291 3.567 1.00 0.00 H new ATOM 810 N ASN A 539 0.325 11.017 4.882 1.00 0.00 N ATOM 811 CA ASN A 539 -0.126 10.638 6.216 1.00 0.00 C ATOM 812 C ASN A 539 0.468 9.293 6.621 1.00 0.00 C ATOM 813 O ASN A 539 0.644 8.404 5.786 1.00 0.00 O ATOM 814 CB ASN A 539 -1.653 10.551 6.246 1.00 0.00 C ATOM 815 CG ASN A 539 -2.141 10.485 7.689 1.00 0.00 C ATOM 816 OD1 ASN A 539 -2.373 9.399 8.218 1.00 0.00 O ATOM 817 ND2 ASN A 539 -2.310 11.592 8.361 1.00 0.00 N ATOM 0 H ASN A 539 0.707 10.250 4.328 1.00 0.00 H new ATOM 0 HA ASN A 539 0.209 11.398 6.921 1.00 0.00 H new ATOM 0 HB2 ASN A 539 -2.085 11.418 5.746 1.00 0.00 H new ATOM 0 HB3 ASN A 539 -1.986 9.669 5.699 1.00 0.00 H new ATOM 0 HD21 ASN A 539 -2.635 11.558 9.327 1.00 0.00 H new ATOM 0 HD22 ASN A 539 -2.117 12.491 7.920 1.00 0.00 H new ATOM 824 N GLY A 540 0.776 9.151 7.905 1.00 0.00 N ATOM 825 CA GLY A 540 1.349 7.909 8.412 1.00 0.00 C ATOM 826 C GLY A 540 0.355 6.760 8.285 1.00 0.00 C ATOM 827 O GLY A 540 0.724 5.646 7.914 1.00 0.00 O ATOM 0 H GLY A 540 0.640 9.875 8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 540 2.258 7.671 7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 540 1.634 8.035 9.457 1.00 0.00 H new ATOM 831 N ASP A 541 -0.907 7.040 8.593 1.00 0.00 N ATOM 832 CA ASP A 541 -1.949 6.023 8.511 1.00 0.00 C ATOM 833 C ASP A 541 -1.831 5.238 7.208 1.00 0.00 C ATOM 834 O ASP A 541 -1.720 4.012 7.219 1.00 0.00 O ATOM 835 CB ASP A 541 -3.328 6.681 8.587 1.00 0.00 C ATOM 836 CG ASP A 541 -3.434 7.524 9.854 1.00 0.00 C ATOM 837 OD1 ASP A 541 -2.595 7.361 10.723 1.00 0.00 O ATOM 838 OD2 ASP A 541 -4.354 8.320 9.935 1.00 0.00 O ATOM 0 H ASP A 541 -1.232 7.957 8.900 1.00 0.00 H new ATOM 0 HA ASP A 541 -1.826 5.337 9.349 1.00 0.00 H new ATOM 0 HB2 ASP A 541 -3.491 7.307 7.709 1.00 0.00 H new ATOM 0 HB3 ASP A 541 -4.105 5.917 8.582 1.00 0.00 H new ATOM 843 N ILE A 542 -1.854 5.954 6.089 1.00 0.00 N ATOM 844 CA ILE A 542 -1.750 5.315 4.782 1.00 0.00 C ATOM 845 C ILE A 542 -0.636 4.271 4.783 1.00 0.00 C ATOM 846 O ILE A 542 -0.824 3.149 4.313 1.00 0.00 O ATOM 847 CB ILE A 542 -1.464 6.368 3.710 1.00 0.00 C ATOM 848 CG1 ILE A 542 -2.622 7.367 3.657 1.00 0.00 C ATOM 849 CG2 ILE A 542 -1.319 5.685 2.348 1.00 0.00 C ATOM 850 CD1 ILE A 542 -2.207 8.585 2.829 1.00 0.00 C ATOM 0 H ILE A 542 -1.943 6.970 6.060 1.00 0.00 H new ATOM 0 HA ILE A 542 -2.696 4.820 4.563 1.00 0.00 H new ATOM 0 HB ILE A 542 -0.540 6.892 3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 542 -3.502 6.897 3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 542 -2.896 7.676 4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 542 -1.115 6.436 1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 542 -0.496 4.972 2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 542 -2.243 5.161 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 542 -3.031 9.297 2.791 1.00 0.00 H new ATOM 0 HD12 ILE A 542 -1.339 9.059 3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 542 -1.954 8.268 1.817 1.00 0.00 H new ATOM 862 N THR A 543 0.523 4.651 5.312 1.00 0.00 N ATOM 863 CA THR A 543 1.660 3.740 5.369 1.00 0.00 C ATOM 864 C THR A 543 1.351 2.549 6.271 1.00 0.00 C ATOM 865 O THR A 543 1.852 1.447 6.051 1.00 0.00 O ATOM 866 CB THR A 543 2.892 4.475 5.899 1.00 0.00 C ATOM 867 OG1 THR A 543 3.203 5.560 5.036 1.00 0.00 O ATOM 868 CG2 THR A 543 4.079 3.512 5.958 1.00 0.00 C ATOM 0 H THR A 543 0.699 5.576 5.704 1.00 0.00 H new ATOM 0 HA THR A 543 1.858 3.376 4.361 1.00 0.00 H new ATOM 0 HB THR A 543 2.685 4.854 6.900 1.00 0.00 H new ATOM 0 HG1 THR A 543 4.147 5.513 4.778 1.00 0.00 H new ATOM 0 HG21 THR A 543 4.956 4.038 6.336 1.00 0.00 H new ATOM 0 HG22 THR A 543 3.840 2.681 6.621 1.00 0.00 H new ATOM 0 HG23 THR A 543 4.288 3.130 4.959 1.00 0.00 H new ATOM 876 N THR A 544 0.529 2.781 7.288 1.00 0.00 N ATOM 877 CA THR A 544 0.165 1.721 8.222 1.00 0.00 C ATOM 878 C THR A 544 -0.596 0.607 7.509 1.00 0.00 C ATOM 879 O THR A 544 -0.233 -0.565 7.605 1.00 0.00 O ATOM 880 CB THR A 544 -0.699 2.293 9.349 1.00 0.00 C ATOM 881 OG1 THR A 544 -0.150 3.529 9.783 1.00 0.00 O ATOM 882 CG2 THR A 544 -0.732 1.308 10.519 1.00 0.00 C ATOM 0 H THR A 544 0.104 3.687 7.487 1.00 0.00 H new ATOM 0 HA THR A 544 1.081 1.304 8.640 1.00 0.00 H new ATOM 0 HB THR A 544 -1.713 2.454 8.984 1.00 0.00 H new ATOM 0 HG1 THR A 544 -0.703 3.898 10.503 1.00 0.00 H new ATOM 0 HG21 THR A 544 -1.347 1.716 11.321 1.00 0.00 H new ATOM 0 HG22 THR A 544 -1.153 0.360 10.185 1.00 0.00 H new ATOM 0 HG23 THR A 544 0.281 1.145 10.886 1.00 0.00 H new ATOM 890 N SER A 545 -1.654 0.980 6.795 1.00 0.00 N ATOM 891 CA SER A 545 -2.460 0.000 6.073 1.00 0.00 C ATOM 892 C SER A 545 -1.625 -0.686 4.996 1.00 0.00 C ATOM 893 O SER A 545 -1.799 -1.874 4.724 1.00 0.00 O ATOM 894 CB SER A 545 -3.668 0.689 5.433 1.00 0.00 C ATOM 895 OG SER A 545 -4.757 0.661 6.346 1.00 0.00 O ATOM 0 H SER A 545 -1.972 1.945 6.701 1.00 0.00 H new ATOM 0 HA SER A 545 -2.808 -0.754 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 545 -3.420 1.719 5.175 1.00 0.00 H new ATOM 0 HB3 SER A 545 -3.941 0.185 4.506 1.00 0.00 H new ATOM 0 HG SER A 545 -4.459 0.986 7.221 1.00 0.00 H new ATOM 901 N ILE A 546 -0.722 0.072 4.390 1.00 0.00 N ATOM 902 CA ILE A 546 0.137 -0.466 3.343 1.00 0.00 C ATOM 903 C ILE A 546 1.112 -1.486 3.930 1.00 0.00 C ATOM 904 O ILE A 546 1.245 -2.597 3.417 1.00 0.00 O ATOM 905 CB ILE A 546 0.898 0.689 2.664 1.00 0.00 C ATOM 906 CG1 ILE A 546 0.180 1.085 1.370 1.00 0.00 C ATOM 907 CG2 ILE A 546 2.335 0.274 2.335 1.00 0.00 C ATOM 908 CD1 ILE A 546 0.739 2.415 0.861 1.00 0.00 C ATOM 0 H ILE A 546 -0.565 1.057 4.604 1.00 0.00 H new ATOM 0 HA ILE A 546 -0.474 -0.975 2.597 1.00 0.00 H new ATOM 0 HB ILE A 546 0.925 1.535 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 546 0.314 0.310 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 546 -0.892 1.174 1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 546 2.853 1.105 1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 546 2.855 0.003 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 546 2.321 -0.582 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 546 0.228 2.696 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 546 0.582 3.188 1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 546 1.806 2.310 0.666 1.00 0.00 H new ATOM 920 N MET A 547 1.792 -1.101 5.005 1.00 0.00 N ATOM 921 CA MET A 547 2.751 -1.991 5.648 1.00 0.00 C ATOM 922 C MET A 547 2.069 -3.282 6.095 1.00 0.00 C ATOM 923 O MET A 547 2.545 -4.380 5.806 1.00 0.00 O ATOM 924 CB MET A 547 3.386 -1.291 6.859 1.00 0.00 C ATOM 925 CG MET A 547 4.854 -1.707 6.993 1.00 0.00 C ATOM 926 SD MET A 547 5.867 -0.696 5.883 1.00 0.00 S ATOM 927 CE MET A 547 7.085 -1.967 5.459 1.00 0.00 C ATOM 0 H MET A 547 1.698 -0.186 5.446 1.00 0.00 H new ATOM 0 HA MET A 547 3.530 -2.240 4.927 1.00 0.00 H new ATOM 0 HB2 MET A 547 3.315 -0.210 6.743 1.00 0.00 H new ATOM 0 HB3 MET A 547 2.841 -1.551 7.767 1.00 0.00 H new ATOM 0 HG2 MET A 547 5.187 -1.581 8.023 1.00 0.00 H new ATOM 0 HG3 MET A 547 4.968 -2.763 6.748 1.00 0.00 H new ATOM 0 HE1 MET A 547 7.820 -1.551 4.770 1.00 0.00 H new ATOM 0 HE2 MET A 547 7.588 -2.306 6.365 1.00 0.00 H new ATOM 0 HE3 MET A 547 6.581 -2.810 4.987 1.00 0.00 H new ATOM 937 N ASP A 548 0.952 -3.140 6.801 1.00 0.00 N ATOM 938 CA ASP A 548 0.211 -4.300 7.284 1.00 0.00 C ATOM 939 C ASP A 548 0.047 -5.335 6.175 1.00 0.00 C ATOM 940 O ASP A 548 0.528 -6.462 6.288 1.00 0.00 O ATOM 941 CB ASP A 548 -1.166 -3.868 7.789 1.00 0.00 C ATOM 942 CG ASP A 548 -1.020 -3.039 9.061 1.00 0.00 C ATOM 943 OD1 ASP A 548 0.086 -2.607 9.338 1.00 0.00 O ATOM 944 OD2 ASP A 548 -2.016 -2.849 9.739 1.00 0.00 O ATOM 0 H ASP A 548 0.542 -2.240 7.050 1.00 0.00 H new ATOM 0 HA ASP A 548 0.774 -4.749 8.102 1.00 0.00 H new ATOM 0 HB2 ASP A 548 -1.677 -3.286 7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 548 -1.782 -4.746 7.986 1.00 0.00 H new ATOM 949 N ASN A 549 -0.636 -4.944 5.105 1.00 0.00 N ATOM 950 CA ASN A 549 -0.857 -5.849 3.982 1.00 0.00 C ATOM 951 C ASN A 549 0.458 -6.482 3.539 1.00 0.00 C ATOM 952 O ASN A 549 0.493 -7.644 3.133 1.00 0.00 O ATOM 953 CB ASN A 549 -1.478 -5.086 2.810 1.00 0.00 C ATOM 954 CG ASN A 549 -2.862 -4.576 3.195 1.00 0.00 C ATOM 955 OD1 ASN A 549 -3.399 -4.959 4.235 1.00 0.00 O ATOM 956 ND2 ASN A 549 -3.478 -3.731 2.413 1.00 0.00 N ATOM 0 H ASN A 549 -1.043 -4.016 4.991 1.00 0.00 H new ATOM 0 HA ASN A 549 -1.538 -6.637 4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 549 -0.838 -4.249 2.530 1.00 0.00 H new ATOM 0 HB3 ASN A 549 -1.551 -5.737 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 549 -4.405 -3.387 2.663 1.00 0.00 H new ATOM 0 HD22 ASN A 549 -3.032 -3.415 1.552 1.00 0.00 H new ATOM 963 N PHE A 550 1.536 -5.711 3.623 1.00 0.00 N ATOM 964 CA PHE A 550 2.851 -6.205 3.230 1.00 0.00 C ATOM 965 C PHE A 550 3.217 -7.449 4.038 1.00 0.00 C ATOM 966 O PHE A 550 3.679 -8.446 3.486 1.00 0.00 O ATOM 967 CB PHE A 550 3.904 -5.108 3.451 1.00 0.00 C ATOM 968 CG PHE A 550 4.855 -5.060 2.275 1.00 0.00 C ATOM 969 CD1 PHE A 550 5.466 -6.235 1.820 1.00 0.00 C ATOM 970 CD2 PHE A 550 5.125 -3.841 1.641 1.00 0.00 C ATOM 971 CE1 PHE A 550 6.346 -6.190 0.732 1.00 0.00 C ATOM 972 CE2 PHE A 550 6.006 -3.797 0.554 1.00 0.00 C ATOM 973 CZ PHE A 550 6.616 -4.972 0.099 1.00 0.00 C ATOM 0 H PHE A 550 1.527 -4.747 3.957 1.00 0.00 H new ATOM 0 HA PHE A 550 2.825 -6.472 2.174 1.00 0.00 H new ATOM 0 HB2 PHE A 550 3.415 -4.142 3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 550 4.458 -5.303 4.369 1.00 0.00 H new ATOM 0 HD1 PHE A 550 5.258 -7.176 2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 550 4.653 -2.935 1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 550 6.817 -7.096 0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 550 6.215 -2.856 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 550 7.295 -4.938 -0.740 1.00 0.00 H new ATOM 983 N LEU A 551 3.005 -7.378 5.349 1.00 0.00 N ATOM 984 CA LEU A 551 3.317 -8.503 6.225 1.00 0.00 C ATOM 985 C LEU A 551 2.559 -9.753 5.788 1.00 0.00 C ATOM 986 O LEU A 551 3.137 -10.835 5.683 1.00 0.00 O ATOM 987 CB LEU A 551 2.946 -8.159 7.670 1.00 0.00 C ATOM 988 CG LEU A 551 3.485 -6.772 8.025 1.00 0.00 C ATOM 989 CD1 LEU A 551 3.212 -6.480 9.502 1.00 0.00 C ATOM 990 CD2 LEU A 551 4.995 -6.726 7.767 1.00 0.00 C ATOM 0 H LEU A 551 2.622 -6.561 5.825 1.00 0.00 H new ATOM 0 HA LEU A 551 4.387 -8.701 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 551 1.863 -8.181 7.793 1.00 0.00 H new ATOM 0 HB3 LEU A 551 3.359 -8.905 8.349 1.00 0.00 H new ATOM 0 HG LEU A 551 2.989 -6.023 7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 551 3.596 -5.492 9.755 1.00 0.00 H new ATOM 0 HD12 LEU A 551 2.138 -6.510 9.686 1.00 0.00 H new ATOM 0 HD13 LEU A 551 3.707 -7.230 10.119 1.00 0.00 H new ATOM 0 HD21 LEU A 551 5.377 -5.737 8.020 1.00 0.00 H new ATOM 0 HD22 LEU A 551 5.492 -7.476 8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 551 5.191 -6.932 6.715 1.00 0.00 H new ATOM 1002 N GLU A 552 1.262 -9.599 5.538 1.00 0.00 N ATOM 1003 CA GLU A 552 0.438 -10.727 5.117 1.00 0.00 C ATOM 1004 C GLU A 552 0.982 -11.345 3.832 1.00 0.00 C ATOM 1005 O GLU A 552 1.273 -12.540 3.786 1.00 0.00 O ATOM 1006 CB GLU A 552 -1.002 -10.263 4.891 1.00 0.00 C ATOM 1007 CG GLU A 552 -1.922 -11.482 4.787 1.00 0.00 C ATOM 1008 CD GLU A 552 -2.139 -12.090 6.168 1.00 0.00 C ATOM 1009 OE1 GLU A 552 -1.626 -11.535 7.125 1.00 0.00 O ATOM 1010 OE2 GLU A 552 -2.817 -13.102 6.248 1.00 0.00 O ATOM 0 H GLU A 552 0.763 -8.713 5.619 1.00 0.00 H new ATOM 0 HA GLU A 552 0.461 -11.481 5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 552 -1.322 -9.622 5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 552 -1.065 -9.668 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 552 -2.879 -11.190 4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 552 -1.483 -12.223 4.119 1.00 0.00 H new ATOM 1017 N ARG A 553 1.118 -10.520 2.796 1.00 0.00 N ATOM 1018 CA ARG A 553 1.630 -10.986 1.506 1.00 0.00 C ATOM 1019 C ARG A 553 1.267 -12.449 1.264 1.00 0.00 C ATOM 1020 O ARG A 553 2.020 -13.352 1.626 1.00 0.00 O ATOM 1021 CB ARG A 553 3.151 -10.825 1.460 1.00 0.00 C ATOM 1022 CG ARG A 553 3.678 -11.350 0.122 1.00 0.00 C ATOM 1023 CD ARG A 553 5.118 -10.875 -0.082 1.00 0.00 C ATOM 1024 NE ARG A 553 5.939 -11.239 1.068 1.00 0.00 N ATOM 1025 CZ ARG A 553 7.052 -10.575 1.355 1.00 0.00 C ATOM 1026 NH1 ARG A 553 7.886 -10.253 0.404 1.00 0.00 N ATOM 1027 NH2 ARG A 553 7.314 -10.243 2.590 1.00 0.00 N ATOM 0 H ARG A 553 0.882 -9.528 2.823 1.00 0.00 H new ATOM 0 HA ARG A 553 1.171 -10.382 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 553 3.421 -9.776 1.583 1.00 0.00 H new ATOM 0 HB3 ARG A 553 3.611 -11.371 2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 553 3.637 -12.439 0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 553 3.048 -10.995 -0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 553 5.530 -11.321 -0.987 1.00 0.00 H new ATOM 0 HD3 ARG A 553 5.135 -9.794 -0.222 1.00 0.00 H new ATOM 0 HE ARG A 553 5.653 -12.017 1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 553 7.683 -10.512 -0.562 1.00 0.00 H new ATOM 0 HH12 ARG A 553 8.741 -9.743 0.626 1.00 0.00 H new ATOM 0 HH21 ARG A 553 6.663 -10.494 3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 553 8.169 -9.733 2.810 1.00 0.00 H new ATOM 1041 N THR A 554 0.110 -12.676 0.648 1.00 0.00 N ATOM 1042 CA THR A 554 -0.337 -14.035 0.365 1.00 0.00 C ATOM 1043 C THR A 554 0.355 -14.576 -0.882 1.00 0.00 C ATOM 1044 O THR A 554 0.796 -13.812 -1.739 1.00 0.00 O ATOM 1045 CB THR A 554 -1.852 -14.054 0.159 1.00 0.00 C ATOM 1046 OG1 THR A 554 -2.221 -13.006 -0.728 1.00 0.00 O ATOM 1047 CG2 THR A 554 -2.553 -13.854 1.503 1.00 0.00 C ATOM 0 H THR A 554 -0.529 -11.944 0.338 1.00 0.00 H new ATOM 0 HA THR A 554 -0.079 -14.668 1.214 1.00 0.00 H new ATOM 0 HB THR A 554 -2.149 -15.013 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 554 -3.192 -13.018 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 554 -3.633 -13.868 1.356 1.00 0.00 H new ATOM 0 HG22 THR A 554 -2.270 -14.656 2.184 1.00 0.00 H new ATOM 0 HG23 THR A 554 -2.257 -12.895 1.929 1.00 0.00 H new ATOM 1055 N ALA A 555 0.444 -15.899 -0.977 1.00 0.00 N ATOM 1056 CA ALA A 555 1.082 -16.527 -2.126 1.00 0.00 C ATOM 1057 C ALA A 555 0.463 -16.017 -3.423 1.00 0.00 C ATOM 1058 O ALA A 555 0.950 -16.313 -4.514 1.00 0.00 O ATOM 1059 CB ALA A 555 0.924 -18.047 -2.046 1.00 0.00 C ATOM 0 H ALA A 555 0.086 -16.551 -0.279 1.00 0.00 H new ATOM 0 HA ALA A 555 2.142 -16.272 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 555 1.404 -18.509 -2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 555 1.391 -18.414 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -0.136 -18.303 -2.040 1.00 0.00 H new ATOM 1065 N ILE A 556 -0.613 -15.248 -3.293 1.00 0.00 N ATOM 1066 CA ILE A 556 -1.299 -14.697 -4.457 1.00 0.00 C ATOM 1067 C ILE A 556 -0.308 -13.953 -5.352 1.00 0.00 C ATOM 1068 O ILE A 556 -0.642 -13.544 -6.464 1.00 0.00 O ATOM 1069 CB ILE A 556 -2.432 -13.757 -3.983 1.00 0.00 C ATOM 1070 CG1 ILE A 556 -3.768 -14.189 -4.605 1.00 0.00 C ATOM 1071 CG2 ILE A 556 -2.143 -12.303 -4.378 1.00 0.00 C ATOM 1072 CD1 ILE A 556 -4.314 -15.407 -3.856 1.00 0.00 C ATOM 0 H ILE A 556 -1.028 -14.993 -2.397 1.00 0.00 H new ATOM 0 HA ILE A 556 -1.735 -15.506 -5.043 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.489 -13.823 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -4.485 -13.369 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -3.629 -14.430 -5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -2.955 -11.664 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -1.208 -11.981 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -2.060 -12.230 -5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -5.262 -15.712 -4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -3.600 -16.228 -3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -4.469 -15.150 -2.808 1.00 0.00 H new ATOM 1084 N GLU A 557 0.912 -13.779 -4.854 1.00 0.00 N ATOM 1085 CA GLU A 557 1.947 -13.077 -5.606 1.00 0.00 C ATOM 1086 C GLU A 557 2.241 -13.779 -6.930 1.00 0.00 C ATOM 1087 O GLU A 557 2.837 -13.190 -7.832 1.00 0.00 O ATOM 1088 CB GLU A 557 3.227 -12.999 -4.772 1.00 0.00 C ATOM 1089 CG GLU A 557 2.997 -12.084 -3.567 1.00 0.00 C ATOM 1090 CD GLU A 557 3.011 -10.625 -4.010 1.00 0.00 C ATOM 1091 OE1 GLU A 557 1.974 -10.149 -4.443 1.00 0.00 O ATOM 1092 OE2 GLU A 557 4.057 -10.005 -3.909 1.00 0.00 O ATOM 0 H GLU A 557 1.208 -14.113 -3.937 1.00 0.00 H new ATOM 0 HA GLU A 557 1.586 -12.072 -5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 557 3.516 -13.995 -4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 557 4.047 -12.618 -5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 557 2.042 -12.321 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 557 3.771 -12.253 -2.819 1.00 0.00 H new ATOM 1099 N LEU A 558 1.829 -15.038 -7.043 1.00 0.00 N ATOM 1100 CA LEU A 558 2.067 -15.797 -8.268 1.00 0.00 C ATOM 1101 C LEU A 558 1.394 -15.125 -9.462 1.00 0.00 C ATOM 1102 O LEU A 558 1.455 -15.628 -10.584 1.00 0.00 O ATOM 1103 CB LEU A 558 1.561 -17.240 -8.109 1.00 0.00 C ATOM 1104 CG LEU A 558 0.053 -17.324 -8.383 1.00 0.00 C ATOM 1105 CD1 LEU A 558 -0.433 -18.746 -8.094 1.00 0.00 C ATOM 1106 CD2 LEU A 558 -0.696 -16.340 -7.478 1.00 0.00 C ATOM 0 H LEU A 558 1.335 -15.550 -6.312 1.00 0.00 H new ATOM 0 HA LEU A 558 3.141 -15.821 -8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 558 2.097 -17.895 -8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 558 1.772 -17.595 -7.100 1.00 0.00 H new ATOM 0 HG LEU A 558 -0.139 -17.071 -9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -1.504 -18.811 -8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 558 0.095 -19.449 -8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -0.237 -18.992 -7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -1.766 -16.404 -7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -0.506 -16.589 -6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 558 -0.350 -15.326 -7.678 1.00 0.00 H new ATOM 1118 N LYS A 559 0.752 -13.987 -9.214 1.00 0.00 N ATOM 1119 CA LYS A 559 0.072 -13.257 -10.279 1.00 0.00 C ATOM 1120 C LYS A 559 1.085 -12.735 -11.295 1.00 0.00 C ATOM 1121 O LYS A 559 2.019 -13.442 -11.674 1.00 0.00 O ATOM 1122 CB LYS A 559 -0.719 -12.087 -9.686 1.00 0.00 C ATOM 1123 CG LYS A 559 -1.846 -11.684 -10.644 1.00 0.00 C ATOM 1124 CD LYS A 559 -2.331 -10.274 -10.303 1.00 0.00 C ATOM 1125 CE LYS A 559 -2.705 -10.205 -8.821 1.00 0.00 C ATOM 1126 NZ LYS A 559 -3.509 -8.976 -8.569 1.00 0.00 N ATOM 0 H LYS A 559 0.688 -13.553 -8.293 1.00 0.00 H new ATOM 0 HA LYS A 559 -0.615 -13.935 -10.785 1.00 0.00 H new ATOM 0 HB2 LYS A 559 -1.135 -12.370 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 559 -0.056 -11.239 -9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 559 -1.491 -11.718 -11.674 1.00 0.00 H new ATOM 0 HG3 LYS A 559 -2.672 -12.392 -10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 559 -1.551 -9.546 -10.526 1.00 0.00 H new ATOM 0 HD3 LYS A 559 -3.193 -10.016 -10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 559 -3.275 -11.090 -8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 559 -1.804 -10.195 -8.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 -3.043 -8.400 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 -3.586 -8.425 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 -4.460 -9.244 -8.244 1.00 0.00 H new ATOM 1140 N THR A 560 0.897 -11.492 -11.729 1.00 0.00 N ATOM 1141 CA THR A 560 1.803 -10.884 -12.700 1.00 0.00 C ATOM 1142 C THR A 560 2.769 -9.933 -12.003 1.00 0.00 C ATOM 1143 O THR A 560 3.025 -8.828 -12.482 1.00 0.00 O ATOM 1144 CB THR A 560 1.000 -10.116 -13.754 1.00 0.00 C ATOM 1145 OG1 THR A 560 0.204 -9.129 -13.114 1.00 0.00 O ATOM 1146 CG2 THR A 560 0.098 -11.088 -14.517 1.00 0.00 C ATOM 0 H THR A 560 0.132 -10.889 -11.427 1.00 0.00 H new ATOM 0 HA THR A 560 2.374 -11.676 -13.185 1.00 0.00 H new ATOM 0 HB THR A 560 1.683 -9.633 -14.453 1.00 0.00 H new ATOM 0 HG1 THR A 560 -0.309 -8.635 -13.787 1.00 0.00 H new ATOM 0 HG21 THR A 560 -0.474 -10.541 -15.267 1.00 0.00 H new ATOM 0 HG22 THR A 560 0.711 -11.844 -15.008 1.00 0.00 H new ATOM 0 HG23 THR A 560 -0.587 -11.572 -13.821 1.00 0.00 H new ATOM 1154 N ASP A 561 3.305 -10.370 -10.867 1.00 0.00 N ATOM 1155 CA ASP A 561 4.243 -9.550 -10.110 1.00 0.00 C ATOM 1156 C ASP A 561 3.582 -8.249 -9.665 1.00 0.00 C ATOM 1157 O ASP A 561 3.917 -7.172 -10.158 1.00 0.00 O ATOM 1158 CB ASP A 561 5.472 -9.236 -10.966 1.00 0.00 C ATOM 1159 CG ASP A 561 5.949 -10.499 -11.675 1.00 0.00 C ATOM 1160 OD1 ASP A 561 5.949 -11.543 -11.045 1.00 0.00 O ATOM 1161 OD2 ASP A 561 6.307 -10.402 -12.838 1.00 0.00 O ATOM 0 H ASP A 561 3.107 -11.281 -10.453 1.00 0.00 H new ATOM 0 HA ASP A 561 4.551 -10.107 -9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 561 5.228 -8.467 -11.699 1.00 0.00 H new ATOM 0 HB3 ASP A 561 6.270 -8.837 -10.339 1.00 0.00 H new ATOM 1166 N TRP A 562 2.643 -8.358 -8.732 1.00 0.00 N ATOM 1167 CA TRP A 562 1.941 -7.183 -8.227 1.00 0.00 C ATOM 1168 C TRP A 562 2.892 -6.294 -7.430 1.00 0.00 C ATOM 1169 O TRP A 562 2.651 -5.096 -7.274 1.00 0.00 O ATOM 1170 CB TRP A 562 0.773 -7.618 -7.339 1.00 0.00 C ATOM 1171 CG TRP A 562 0.197 -6.425 -6.644 1.00 0.00 C ATOM 1172 CD1 TRP A 562 -0.556 -5.470 -7.235 1.00 0.00 C ATOM 1173 CD2 TRP A 562 0.314 -6.046 -5.242 1.00 0.00 C ATOM 1174 NE1 TRP A 562 -0.908 -4.527 -6.285 1.00 0.00 N ATOM 1175 CE2 TRP A 562 -0.396 -4.838 -5.042 1.00 0.00 C ATOM 1176 CE3 TRP A 562 0.962 -6.625 -4.137 1.00 0.00 C ATOM 1177 CZ2 TRP A 562 -0.461 -4.229 -3.788 1.00 0.00 C ATOM 1178 CZ3 TRP A 562 0.898 -6.015 -2.873 1.00 0.00 C ATOM 1179 CH2 TRP A 562 0.187 -4.819 -2.699 1.00 0.00 C ATOM 0 H TRP A 562 2.351 -9.241 -8.312 1.00 0.00 H new ATOM 0 HA TRP A 562 1.559 -6.614 -9.075 1.00 0.00 H new ATOM 0 HB2 TRP A 562 0.007 -8.105 -7.942 1.00 0.00 H new ATOM 0 HB3 TRP A 562 1.114 -8.349 -6.606 1.00 0.00 H new ATOM 0 HD1 TRP A 562 -0.837 -5.447 -8.278 1.00 0.00 H new ATOM 0 HE1 TRP A 562 -1.476 -3.703 -6.480 1.00 0.00 H new ATOM 0 HE3 TRP A 562 1.513 -7.546 -4.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 562 -1.009 -3.307 -3.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 562 1.399 -6.470 -2.031 1.00 0.00 H new ATOM 0 HH2 TRP A 562 0.140 -4.354 -1.725 1.00 0.00 H new ATOM 1190 N VAL A 563 3.968 -6.888 -6.927 1.00 0.00 N ATOM 1191 CA VAL A 563 4.946 -6.138 -6.147 1.00 0.00 C ATOM 1192 C VAL A 563 5.342 -4.855 -6.871 1.00 0.00 C ATOM 1193 O VAL A 563 5.825 -3.907 -6.253 1.00 0.00 O ATOM 1194 CB VAL A 563 6.188 -6.996 -5.903 1.00 0.00 C ATOM 1195 CG1 VAL A 563 6.820 -7.376 -7.242 1.00 0.00 C ATOM 1196 CG2 VAL A 563 7.198 -6.203 -5.070 1.00 0.00 C ATOM 0 H VAL A 563 4.185 -7.878 -7.044 1.00 0.00 H new ATOM 0 HA VAL A 563 4.494 -5.874 -5.191 1.00 0.00 H new ATOM 0 HB VAL A 563 5.903 -7.902 -5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 563 7.705 -7.987 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 563 6.101 -7.940 -7.836 1.00 0.00 H new ATOM 0 HG13 VAL A 563 7.105 -6.472 -7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 563 8.084 -6.813 -4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 563 7.481 -5.297 -5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 563 6.749 -5.933 -4.114 1.00 0.00 H new ATOM 1206 N ARG A 564 5.138 -4.832 -8.185 1.00 0.00 N ATOM 1207 CA ARG A 564 5.482 -3.659 -8.980 1.00 0.00 C ATOM 1208 C ARG A 564 4.588 -2.477 -8.613 1.00 0.00 C ATOM 1209 O ARG A 564 5.078 -1.408 -8.247 1.00 0.00 O ATOM 1210 CB ARG A 564 5.325 -3.973 -10.469 1.00 0.00 C ATOM 1211 CG ARG A 564 6.294 -5.090 -10.860 1.00 0.00 C ATOM 1212 CD ARG A 564 6.294 -5.258 -12.382 1.00 0.00 C ATOM 1213 NE ARG A 564 6.922 -6.522 -12.751 1.00 0.00 N ATOM 1214 CZ ARG A 564 7.787 -6.596 -13.759 1.00 0.00 C ATOM 1215 NH1 ARG A 564 7.356 -6.595 -14.991 1.00 0.00 N ATOM 1216 NH2 ARG A 564 9.067 -6.669 -13.516 1.00 0.00 N ATOM 0 H ARG A 564 4.740 -5.605 -8.717 1.00 0.00 H new ATOM 0 HA ARG A 564 6.518 -3.395 -8.769 1.00 0.00 H new ATOM 0 HB2 ARG A 564 4.300 -4.276 -10.682 1.00 0.00 H new ATOM 0 HB3 ARG A 564 5.523 -3.081 -11.063 1.00 0.00 H new ATOM 0 HG2 ARG A 564 7.299 -4.853 -10.510 1.00 0.00 H new ATOM 0 HG3 ARG A 564 6.001 -6.024 -10.381 1.00 0.00 H new ATOM 0 HD2 ARG A 564 5.271 -5.229 -12.758 1.00 0.00 H new ATOM 0 HD3 ARG A 564 6.828 -4.429 -12.846 1.00 0.00 H new ATOM 0 HE ARG A 564 6.693 -7.366 -12.226 1.00 0.00 H new ATOM 0 HH11 ARG A 564 6.356 -6.537 -15.181 1.00 0.00 H new ATOM 0 HH12 ARG A 564 8.020 -6.652 -15.764 1.00 0.00 H new ATOM 0 HH21 ARG A 564 9.404 -6.669 -12.553 1.00 0.00 H new ATOM 0 HH22 ARG A 564 9.730 -6.726 -14.289 1.00 0.00 H new ATOM 1230 N PHE A 565 3.278 -2.674 -8.711 1.00 0.00 N ATOM 1231 CA PHE A 565 2.330 -1.614 -8.384 1.00 0.00 C ATOM 1232 C PHE A 565 2.555 -1.121 -6.959 1.00 0.00 C ATOM 1233 O PHE A 565 2.424 0.070 -6.676 1.00 0.00 O ATOM 1234 CB PHE A 565 0.895 -2.130 -8.529 1.00 0.00 C ATOM 1235 CG PHE A 565 0.513 -2.169 -9.989 1.00 0.00 C ATOM 1236 CD1 PHE A 565 0.759 -3.320 -10.746 1.00 0.00 C ATOM 1237 CD2 PHE A 565 -0.084 -1.053 -10.587 1.00 0.00 C ATOM 1238 CE1 PHE A 565 0.405 -3.357 -12.100 1.00 0.00 C ATOM 1239 CE2 PHE A 565 -0.437 -1.088 -11.941 1.00 0.00 C ATOM 1240 CZ PHE A 565 -0.193 -2.240 -12.698 1.00 0.00 C ATOM 0 H PHE A 565 2.850 -3.550 -9.012 1.00 0.00 H new ATOM 0 HA PHE A 565 2.486 -0.785 -9.074 1.00 0.00 H new ATOM 0 HB2 PHE A 565 0.811 -3.126 -8.095 1.00 0.00 H new ATOM 0 HB3 PHE A 565 0.209 -1.484 -7.981 1.00 0.00 H new ATOM 0 HD1 PHE A 565 1.222 -4.180 -10.285 1.00 0.00 H new ATOM 0 HD2 PHE A 565 -0.272 -0.164 -10.003 1.00 0.00 H new ATOM 0 HE1 PHE A 565 0.593 -4.246 -12.683 1.00 0.00 H new ATOM 0 HE2 PHE A 565 -0.897 -0.226 -12.402 1.00 0.00 H new ATOM 0 HZ PHE A 565 -0.466 -2.268 -13.743 1.00 0.00 H new ATOM 1250 N LEU A 566 2.893 -2.045 -6.067 1.00 0.00 N ATOM 1251 CA LEU A 566 3.133 -1.694 -4.673 1.00 0.00 C ATOM 1252 C LEU A 566 4.378 -0.821 -4.549 1.00 0.00 C ATOM 1253 O LEU A 566 4.503 -0.029 -3.616 1.00 0.00 O ATOM 1254 CB LEU A 566 3.307 -2.968 -3.840 1.00 0.00 C ATOM 1255 CG LEU A 566 3.449 -2.611 -2.356 1.00 0.00 C ATOM 1256 CD1 LEU A 566 2.153 -1.971 -1.843 1.00 0.00 C ATOM 1257 CD2 LEU A 566 3.735 -3.887 -1.560 1.00 0.00 C ATOM 0 H LEU A 566 3.006 -3.036 -6.282 1.00 0.00 H new ATOM 0 HA LEU A 566 2.275 -1.133 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 566 2.450 -3.626 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 566 4.188 -3.515 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 566 4.268 -1.903 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.264 -1.721 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.945 -1.064 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 566 1.328 -2.672 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 566 3.837 -3.641 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 566 2.912 -4.590 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 566 4.659 -4.340 -1.918 1.00 0.00 H new ATOM 1269 N ALA A 567 5.296 -0.970 -5.500 1.00 0.00 N ATOM 1270 CA ALA A 567 6.527 -0.190 -5.488 1.00 0.00 C ATOM 1271 C ALA A 567 6.240 1.268 -5.835 1.00 0.00 C ATOM 1272 O ALA A 567 6.613 2.178 -5.094 1.00 0.00 O ATOM 1273 CB ALA A 567 7.522 -0.767 -6.496 1.00 0.00 C ATOM 0 H ALA A 567 5.211 -1.619 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 567 6.955 -0.238 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 567 8.439 -0.178 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 567 7.750 -1.800 -6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 567 7.087 -0.735 -7.495 1.00 0.00 H new ATOM 1279 N LEU A 568 5.576 1.481 -6.967 1.00 0.00 N ATOM 1280 CA LEU A 568 5.245 2.832 -7.403 1.00 0.00 C ATOM 1281 C LEU A 568 4.427 3.553 -6.335 1.00 0.00 C ATOM 1282 O LEU A 568 4.484 4.777 -6.218 1.00 0.00 O ATOM 1283 CB LEU A 568 4.453 2.777 -8.717 1.00 0.00 C ATOM 1284 CG LEU A 568 5.422 2.671 -9.904 1.00 0.00 C ATOM 1285 CD1 LEU A 568 4.729 1.962 -11.071 1.00 0.00 C ATOM 1286 CD2 LEU A 568 5.849 4.075 -10.346 1.00 0.00 C ATOM 0 H LEU A 568 5.259 0.742 -7.594 1.00 0.00 H new ATOM 0 HA LEU A 568 6.172 3.383 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 568 3.777 1.922 -8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 568 3.836 3.670 -8.818 1.00 0.00 H new ATOM 0 HG LEU A 568 6.300 2.101 -9.601 1.00 0.00 H new ATOM 0 HD11 LEU A 568 5.418 1.888 -11.912 1.00 0.00 H new ATOM 0 HD12 LEU A 568 4.426 0.962 -10.761 1.00 0.00 H new ATOM 0 HD13 LEU A 568 3.849 2.531 -11.372 1.00 0.00 H new ATOM 0 HD21 LEU A 568 6.537 3.998 -11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 568 4.970 4.645 -10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 568 6.345 4.582 -9.518 1.00 0.00 H new ATOM 1298 N ALA A 569 3.670 2.786 -5.558 1.00 0.00 N ATOM 1299 CA ALA A 569 2.848 3.366 -4.502 1.00 0.00 C ATOM 1300 C ALA A 569 3.719 3.821 -3.336 1.00 0.00 C ATOM 1301 O ALA A 569 3.682 4.986 -2.940 1.00 0.00 O ATOM 1302 CB ALA A 569 1.828 2.338 -4.010 1.00 0.00 C ATOM 0 H ALA A 569 3.608 1.771 -5.638 1.00 0.00 H new ATOM 0 HA ALA A 569 2.323 4.231 -4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 569 1.218 2.779 -3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 569 1.187 2.036 -4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 569 2.351 1.465 -3.619 1.00 0.00 H new ATOM 1308 N LEU A 570 4.502 2.896 -2.791 1.00 0.00 N ATOM 1309 CA LEU A 570 5.379 3.212 -1.668 1.00 0.00 C ATOM 1310 C LEU A 570 6.373 4.305 -2.058 1.00 0.00 C ATOM 1311 O LEU A 570 6.952 4.965 -1.195 1.00 0.00 O ATOM 1312 CB LEU A 570 6.138 1.948 -1.229 1.00 0.00 C ATOM 1313 CG LEU A 570 5.613 1.457 0.126 1.00 0.00 C ATOM 1314 CD1 LEU A 570 6.021 -0.003 0.334 1.00 0.00 C ATOM 1315 CD2 LEU A 570 6.208 2.312 1.250 1.00 0.00 C ATOM 0 H LEU A 570 4.548 1.927 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 570 4.770 3.574 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 570 6.019 1.165 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 570 7.204 2.162 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 570 4.526 1.540 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 570 5.648 -0.351 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 570 5.598 -0.616 -0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 570 7.108 -0.083 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 570 5.833 1.961 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 570 7.295 2.231 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 570 5.920 3.353 1.107 1.00 0.00 H new ATOM 1327 N GLY A 571 6.568 4.488 -3.360 1.00 0.00 N ATOM 1328 CA GLY A 571 7.498 5.500 -3.848 1.00 0.00 C ATOM 1329 C GLY A 571 6.853 6.882 -3.854 1.00 0.00 C ATOM 1330 O GLY A 571 7.370 7.821 -3.249 1.00 0.00 O ATOM 0 H GLY A 571 6.099 3.953 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 571 8.388 5.514 -3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 571 7.824 5.243 -4.856 1.00 0.00 H new ATOM 1334 N ILE A 572 5.723 7.000 -4.543 1.00 0.00 N ATOM 1335 CA ILE A 572 5.019 8.274 -4.623 1.00 0.00 C ATOM 1336 C ILE A 572 4.320 8.587 -3.303 1.00 0.00 C ATOM 1337 O ILE A 572 4.021 9.744 -3.008 1.00 0.00 O ATOM 1338 CB ILE A 572 3.990 8.229 -5.754 1.00 0.00 C ATOM 1339 CG1 ILE A 572 4.693 7.849 -7.062 1.00 0.00 C ATOM 1340 CG2 ILE A 572 3.334 9.604 -5.906 1.00 0.00 C ATOM 1341 CD1 ILE A 572 3.663 7.716 -8.189 1.00 0.00 C ATOM 0 H ILE A 572 5.278 6.235 -5.050 1.00 0.00 H new ATOM 0 HA ILE A 572 5.747 9.059 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 572 3.224 7.489 -5.522 1.00 0.00 H new ATOM 0 HG12 ILE A 572 5.432 8.607 -7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 572 5.231 6.909 -6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 572 2.601 9.570 -6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 572 2.837 9.875 -4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 572 4.096 10.347 -6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 572 4.170 7.446 -9.115 1.00 0.00 H new ATOM 0 HD12 ILE A 572 2.940 6.942 -7.932 1.00 0.00 H new ATOM 0 HD13 ILE A 572 3.145 8.666 -8.323 1.00 0.00 H new ATOM 1353 N LEU A 573 4.063 7.551 -2.512 1.00 0.00 N ATOM 1354 CA LEU A 573 3.398 7.732 -1.227 1.00 0.00 C ATOM 1355 C LEU A 573 4.012 8.907 -0.470 1.00 0.00 C ATOM 1356 O LEU A 573 3.322 9.866 -0.127 1.00 0.00 O ATOM 1357 CB LEU A 573 3.519 6.453 -0.390 1.00 0.00 C ATOM 1358 CG LEU A 573 3.004 6.701 1.033 1.00 0.00 C ATOM 1359 CD1 LEU A 573 1.606 7.324 0.978 1.00 0.00 C ATOM 1360 CD2 LEU A 573 2.939 5.369 1.785 1.00 0.00 C ATOM 0 H LEU A 573 4.303 6.585 -2.735 1.00 0.00 H new ATOM 0 HA LEU A 573 2.344 7.944 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 573 2.949 5.649 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 573 4.559 6.128 -0.357 1.00 0.00 H new ATOM 0 HG LEU A 573 3.680 7.383 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 573 1.245 7.498 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 573 1.651 8.272 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 573 0.926 6.646 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 573 2.573 5.540 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 573 2.263 4.690 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 573 3.934 4.927 1.829 1.00 0.00 H new ATOM 1372 N TYR A 574 5.314 8.824 -0.215 1.00 0.00 N ATOM 1373 CA TYR A 574 6.011 9.886 0.502 1.00 0.00 C ATOM 1374 C TYR A 574 6.312 11.054 -0.432 1.00 0.00 C ATOM 1375 O TYR A 574 6.353 12.208 -0.003 1.00 0.00 O ATOM 1376 CB TYR A 574 7.318 9.350 1.091 1.00 0.00 C ATOM 1377 CG TYR A 574 7.036 8.098 1.887 1.00 0.00 C ATOM 1378 CD1 TYR A 574 6.211 8.159 3.016 1.00 0.00 C ATOM 1379 CD2 TYR A 574 7.601 6.876 1.498 1.00 0.00 C ATOM 1380 CE1 TYR A 574 5.949 6.999 3.755 1.00 0.00 C ATOM 1381 CE2 TYR A 574 7.338 5.716 2.239 1.00 0.00 C ATOM 1382 CZ TYR A 574 6.512 5.779 3.367 1.00 0.00 C ATOM 1383 OH TYR A 574 6.253 4.636 4.096 1.00 0.00 O ATOM 0 H TYR A 574 5.904 8.039 -0.492 1.00 0.00 H new ATOM 0 HA TYR A 574 5.367 10.237 1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 574 8.027 9.134 0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 574 7.778 10.104 1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 574 5.777 9.101 3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 574 8.239 6.828 0.628 1.00 0.00 H new ATOM 0 HE1 TYR A 574 5.312 7.046 4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 574 7.773 4.774 1.940 1.00 0.00 H new ATOM 0 HH TYR A 574 6.720 3.876 3.690 1.00 0.00 H new ATOM 1393 N MET A 575 6.520 10.748 -1.708 1.00 0.00 N ATOM 1394 CA MET A 575 6.816 11.781 -2.694 1.00 0.00 C ATOM 1395 C MET A 575 8.104 12.515 -2.334 1.00 0.00 C ATOM 1396 O MET A 575 9.139 12.320 -2.970 1.00 0.00 O ATOM 1397 CB MET A 575 5.659 12.781 -2.766 1.00 0.00 C ATOM 1398 CG MET A 575 5.786 13.622 -4.039 1.00 0.00 C ATOM 1399 SD MET A 575 4.718 15.076 -3.910 1.00 0.00 S ATOM 1400 CE MET A 575 5.920 16.174 -3.119 1.00 0.00 C ATOM 0 H MET A 575 6.489 9.800 -2.082 1.00 0.00 H new ATOM 0 HA MET A 575 6.944 11.303 -3.665 1.00 0.00 H new ATOM 0 HB2 MET A 575 4.706 12.251 -2.761 1.00 0.00 H new ATOM 0 HB3 MET A 575 5.669 13.427 -1.888 1.00 0.00 H new ATOM 0 HG2 MET A 575 6.822 13.930 -4.182 1.00 0.00 H new ATOM 0 HG3 MET A 575 5.507 13.028 -4.909 1.00 0.00 H new ATOM 0 HE1 MET A 575 5.463 17.148 -2.943 1.00 0.00 H new ATOM 0 HE2 MET A 575 6.235 15.744 -2.168 1.00 0.00 H new ATOM 0 HE3 MET A 575 6.787 16.292 -3.768 1.00 0.00 H new ATOM 1410 N GLY A 576 8.032 13.359 -1.309 1.00 0.00 N ATOM 1411 CA GLY A 576 9.199 14.116 -0.874 1.00 0.00 C ATOM 1412 C GLY A 576 10.199 13.215 -0.157 1.00 0.00 C ATOM 1413 O GLY A 576 10.316 13.254 1.068 1.00 0.00 O ATOM 0 H GLY A 576 7.185 13.535 -0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 576 9.677 14.582 -1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 576 8.887 14.921 -0.209 1.00 0.00 H new ATOM 1417 N GLN A 577 10.916 12.405 -0.928 1.00 0.00 N ATOM 1418 CA GLN A 577 11.904 11.497 -0.354 1.00 0.00 C ATOM 1419 C GLN A 577 12.816 12.243 0.616 1.00 0.00 C ATOM 1420 O GLN A 577 13.262 13.355 0.333 1.00 0.00 O ATOM 1421 CB GLN A 577 12.744 10.868 -1.469 1.00 0.00 C ATOM 1422 CG GLN A 577 13.182 11.952 -2.455 1.00 0.00 C ATOM 1423 CD GLN A 577 14.033 11.336 -3.560 1.00 0.00 C ATOM 1424 OE1 GLN A 577 15.085 10.759 -3.286 1.00 0.00 O ATOM 1425 NE2 GLN A 577 13.638 11.423 -4.801 1.00 0.00 N ATOM 0 H GLN A 577 10.834 12.358 -1.944 1.00 0.00 H new ATOM 0 HA GLN A 577 11.378 10.713 0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 577 13.618 10.373 -1.045 1.00 0.00 H new ATOM 0 HB3 GLN A 577 12.165 10.103 -1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 577 12.307 12.438 -2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 577 13.750 12.722 -1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 577 12.766 11.902 -5.026 1.00 0.00 H new ATOM 0 HE22 GLN A 577 14.201 11.012 -5.546 1.00 0.00 H new ATOM 1434 N GLY A 578 13.090 11.623 1.760 1.00 0.00 N ATOM 1435 CA GLY A 578 13.951 12.240 2.764 1.00 0.00 C ATOM 1436 C GLY A 578 14.216 11.282 3.920 1.00 0.00 C ATOM 1437 O GLY A 578 14.276 10.067 3.730 1.00 0.00 O ATOM 0 H GLY A 578 12.732 10.702 2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 578 14.896 12.534 2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 578 13.483 13.149 3.141 1.00 0.00 H new ATOM 1441 N GLU A 579 14.377 11.837 5.117 1.00 0.00 N ATOM 1442 CA GLU A 579 14.637 11.023 6.298 1.00 0.00 C ATOM 1443 C GLU A 579 13.533 9.988 6.491 1.00 0.00 C ATOM 1444 O GLU A 579 13.756 8.930 7.081 1.00 0.00 O ATOM 1445 CB GLU A 579 14.726 11.915 7.539 1.00 0.00 C ATOM 1446 CG GLU A 579 15.643 13.105 7.247 1.00 0.00 C ATOM 1447 CD GLU A 579 15.971 13.840 8.542 1.00 0.00 C ATOM 1448 OE1 GLU A 579 15.480 13.422 9.578 1.00 0.00 O ATOM 1449 OE2 GLU A 579 16.708 14.810 8.479 1.00 0.00 O ATOM 0 H GLU A 579 14.332 12.841 5.294 1.00 0.00 H new ATOM 0 HA GLU A 579 15.585 10.504 6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 579 13.733 12.267 7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 579 15.111 11.344 8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 579 16.561 12.759 6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 579 15.159 13.785 6.546 1.00 0.00 H new ATOM 1456 N GLN A 580 12.342 10.301 5.992 1.00 0.00 N ATOM 1457 CA GLN A 580 11.210 9.391 6.117 1.00 0.00 C ATOM 1458 C GLN A 580 11.553 8.025 5.532 1.00 0.00 C ATOM 1459 O GLN A 580 11.350 6.995 6.174 1.00 0.00 O ATOM 1460 CB GLN A 580 9.993 9.968 5.391 1.00 0.00 C ATOM 1461 CG GLN A 580 8.763 9.114 5.701 1.00 0.00 C ATOM 1462 CD GLN A 580 7.511 9.780 5.139 1.00 0.00 C ATOM 1463 OE1 GLN A 580 7.575 10.461 4.116 1.00 0.00 O ATOM 1464 NE2 GLN A 580 6.369 9.620 5.750 1.00 0.00 N ATOM 0 H GLN A 580 12.136 11.171 5.501 1.00 0.00 H new ATOM 0 HA GLN A 580 10.979 9.273 7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 580 9.823 10.998 5.706 1.00 0.00 H new ATOM 0 HB3 GLN A 580 10.173 9.989 4.316 1.00 0.00 H new ATOM 0 HG2 GLN A 580 8.882 8.120 5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 580 8.663 8.983 6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 580 6.319 9.055 6.598 1.00 0.00 H new ATOM 0 HE22 GLN A 580 5.526 10.060 5.380 1.00 0.00 H new ATOM 1473 N VAL A 581 12.072 8.024 4.309 1.00 0.00 N ATOM 1474 CA VAL A 581 12.441 6.779 3.646 1.00 0.00 C ATOM 1475 C VAL A 581 13.392 5.967 4.521 1.00 0.00 C ATOM 1476 O VAL A 581 13.167 4.783 4.766 1.00 0.00 O ATOM 1477 CB VAL A 581 13.107 7.081 2.303 1.00 0.00 C ATOM 1478 CG1 VAL A 581 13.583 5.776 1.663 1.00 0.00 C ATOM 1479 CG2 VAL A 581 12.099 7.764 1.378 1.00 0.00 C ATOM 0 H VAL A 581 12.246 8.866 3.760 1.00 0.00 H new ATOM 0 HA VAL A 581 11.536 6.195 3.478 1.00 0.00 H new ATOM 0 HB VAL A 581 13.961 7.739 2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 581 14.058 5.992 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 581 14.301 5.288 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 581 12.730 5.116 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 581 12.572 7.980 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 581 11.245 7.105 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 581 11.760 8.695 1.833 1.00 0.00 H new ATOM 1489 N ASP A 582 14.456 6.613 4.986 1.00 0.00 N ATOM 1490 CA ASP A 582 15.435 5.939 5.831 1.00 0.00 C ATOM 1491 C ASP A 582 14.737 5.116 6.908 1.00 0.00 C ATOM 1492 O ASP A 582 15.193 4.029 7.265 1.00 0.00 O ATOM 1493 CB ASP A 582 16.355 6.969 6.490 1.00 0.00 C ATOM 1494 CG ASP A 582 17.488 6.260 7.225 1.00 0.00 C ATOM 1495 OD1 ASP A 582 18.481 5.951 6.587 1.00 0.00 O ATOM 1496 OD2 ASP A 582 17.345 6.037 8.416 1.00 0.00 O ATOM 0 H ASP A 582 14.662 7.594 4.794 1.00 0.00 H new ATOM 0 HA ASP A 582 16.027 5.271 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 582 16.764 7.640 5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 582 15.786 7.584 7.188 1.00 0.00 H new ATOM 1501 N ASP A 583 13.629 5.640 7.422 1.00 0.00 N ATOM 1502 CA ASP A 583 12.875 4.941 8.457 1.00 0.00 C ATOM 1503 C ASP A 583 12.177 3.715 7.876 1.00 0.00 C ATOM 1504 O ASP A 583 12.146 2.653 8.497 1.00 0.00 O ATOM 1505 CB ASP A 583 11.835 5.879 9.071 1.00 0.00 C ATOM 1506 CG ASP A 583 11.290 5.282 10.364 1.00 0.00 C ATOM 1507 OD1 ASP A 583 12.044 4.606 11.044 1.00 0.00 O ATOM 1508 OD2 ASP A 583 10.127 5.510 10.655 1.00 0.00 O ATOM 0 H ASP A 583 13.236 6.538 7.142 1.00 0.00 H new ATOM 0 HA ASP A 583 13.572 4.617 9.230 1.00 0.00 H new ATOM 0 HB2 ASP A 583 12.284 6.852 9.271 1.00 0.00 H new ATOM 0 HB3 ASP A 583 11.021 6.043 8.366 1.00 0.00 H new ATOM 1513 N VAL A 584 11.618 3.870 6.681 1.00 0.00 N ATOM 1514 CA VAL A 584 10.922 2.768 6.024 1.00 0.00 C ATOM 1515 C VAL A 584 11.838 1.556 5.897 1.00 0.00 C ATOM 1516 O VAL A 584 11.508 0.465 6.361 1.00 0.00 O ATOM 1517 CB VAL A 584 10.451 3.202 4.635 1.00 0.00 C ATOM 1518 CG1 VAL A 584 9.680 2.058 3.976 1.00 0.00 C ATOM 1519 CG2 VAL A 584 9.538 4.423 4.765 1.00 0.00 C ATOM 0 H VAL A 584 11.632 4.741 6.150 1.00 0.00 H new ATOM 0 HA VAL A 584 10.059 2.495 6.631 1.00 0.00 H new ATOM 0 HB VAL A 584 11.316 3.457 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 584 9.345 2.368 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 584 10.329 1.188 3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 584 8.815 1.802 4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 584 9.202 4.733 3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 584 8.674 4.168 5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 584 10.087 5.240 5.234 1.00 0.00 H new ATOM 1529 N LEU A 585 12.991 1.754 5.265 1.00 0.00 N ATOM 1530 CA LEU A 585 13.947 0.668 5.082 1.00 0.00 C ATOM 1531 C LEU A 585 14.306 0.039 6.426 1.00 0.00 C ATOM 1532 O LEU A 585 14.341 -1.184 6.559 1.00 0.00 O ATOM 1533 CB LEU A 585 15.215 1.195 4.402 1.00 0.00 C ATOM 1534 CG LEU A 585 14.985 1.297 2.893 1.00 0.00 C ATOM 1535 CD1 LEU A 585 13.821 2.249 2.613 1.00 0.00 C ATOM 1536 CD2 LEU A 585 16.252 1.831 2.221 1.00 0.00 C ATOM 0 H LEU A 585 13.284 2.649 4.874 1.00 0.00 H new ATOM 0 HA LEU A 585 13.489 -0.093 4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 585 15.477 2.173 4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 585 16.053 0.530 4.608 1.00 0.00 H new ATOM 0 HG LEU A 585 14.748 0.310 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 585 13.659 2.320 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 585 12.918 1.870 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 585 14.055 3.237 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 585 16.090 1.904 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 585 16.488 2.817 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 585 17.082 1.152 2.417 1.00 0.00 H new ATOM 1548 N GLU A 586 14.573 0.881 7.419 1.00 0.00 N ATOM 1549 CA GLU A 586 14.928 0.390 8.745 1.00 0.00 C ATOM 1550 C GLU A 586 13.902 -0.631 9.228 1.00 0.00 C ATOM 1551 O GLU A 586 14.249 -1.608 9.892 1.00 0.00 O ATOM 1552 CB GLU A 586 14.998 1.554 9.737 1.00 0.00 C ATOM 1553 CG GLU A 586 15.407 1.027 11.114 1.00 0.00 C ATOM 1554 CD GLU A 586 15.797 2.187 12.022 1.00 0.00 C ATOM 1555 OE1 GLU A 586 14.922 2.967 12.361 1.00 0.00 O ATOM 1556 OE2 GLU A 586 16.964 2.278 12.366 1.00 0.00 O ATOM 0 H GLU A 586 14.551 1.897 7.332 1.00 0.00 H new ATOM 0 HA GLU A 586 15.905 -0.090 8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 586 15.717 2.297 9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 586 14.030 2.052 9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 586 14.583 0.468 11.558 1.00 0.00 H new ATOM 0 HG3 GLU A 586 16.244 0.336 11.014 1.00 0.00 H new ATOM 1563 N THR A 587 12.639 -0.397 8.889 1.00 0.00 N ATOM 1564 CA THR A 587 11.569 -1.303 9.292 1.00 0.00 C ATOM 1565 C THR A 587 11.599 -2.574 8.449 1.00 0.00 C ATOM 1566 O THR A 587 11.529 -3.683 8.978 1.00 0.00 O ATOM 1567 CB THR A 587 10.212 -0.614 9.134 1.00 0.00 C ATOM 1568 OG1 THR A 587 10.168 0.538 9.964 1.00 0.00 O ATOM 1569 CG2 THR A 587 9.096 -1.580 9.538 1.00 0.00 C ATOM 0 H THR A 587 12.332 0.406 8.340 1.00 0.00 H new ATOM 0 HA THR A 587 11.719 -1.570 10.338 1.00 0.00 H new ATOM 0 HB THR A 587 10.074 -0.318 8.094 1.00 0.00 H new ATOM 0 HG1 THR A 587 10.759 1.228 9.597 1.00 0.00 H new ATOM 0 HG21 THR A 587 8.130 -1.088 9.425 1.00 0.00 H new ATOM 0 HG22 THR A 587 9.130 -2.463 8.900 1.00 0.00 H new ATOM 0 HG23 THR A 587 9.232 -1.878 10.578 1.00 0.00 H new ATOM 1577 N ILE A 588 11.703 -2.404 7.134 1.00 0.00 N ATOM 1578 CA ILE A 588 11.742 -3.545 6.228 1.00 0.00 C ATOM 1579 C ILE A 588 12.898 -4.473 6.587 1.00 0.00 C ATOM 1580 O ILE A 588 12.774 -5.695 6.511 1.00 0.00 O ATOM 1581 CB ILE A 588 11.900 -3.061 4.784 1.00 0.00 C ATOM 1582 CG1 ILE A 588 10.650 -2.281 4.370 1.00 0.00 C ATOM 1583 CG2 ILE A 588 12.081 -4.264 3.856 1.00 0.00 C ATOM 1584 CD1 ILE A 588 10.911 -1.562 3.046 1.00 0.00 C ATOM 0 H ILE A 588 11.761 -1.495 6.676 1.00 0.00 H new ATOM 0 HA ILE A 588 10.806 -4.095 6.325 1.00 0.00 H new ATOM 0 HB ILE A 588 12.775 -2.414 4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 588 9.803 -2.959 4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 588 10.387 -1.558 5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 588 12.193 -3.917 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 588 12.971 -4.820 4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 588 11.208 -4.913 3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 588 10.020 -1.007 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 588 11.746 -0.872 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 588 11.153 -2.294 2.276 1.00 0.00 H new ATOM 1596 N SER A 589 14.023 -3.883 6.978 1.00 0.00 N ATOM 1597 CA SER A 589 15.196 -4.667 7.347 1.00 0.00 C ATOM 1598 C SER A 589 15.025 -5.263 8.740 1.00 0.00 C ATOM 1599 O SER A 589 15.691 -6.237 9.095 1.00 0.00 O ATOM 1600 CB SER A 589 16.444 -3.784 7.319 1.00 0.00 C ATOM 1601 OG SER A 589 17.595 -4.590 7.530 1.00 0.00 O ATOM 0 H SER A 589 14.147 -2.873 7.047 1.00 0.00 H new ATOM 0 HA SER A 589 15.308 -5.478 6.628 1.00 0.00 H new ATOM 0 HB2 SER A 589 16.517 -3.269 6.361 1.00 0.00 H new ATOM 0 HB3 SER A 589 16.377 -3.016 8.090 1.00 0.00 H new ATOM 0 HG SER A 589 18.397 -4.027 7.511 1.00 0.00 H new ATOM 1607 N ALA A 590 14.129 -4.675 9.525 1.00 0.00 N ATOM 1608 CA ALA A 590 13.878 -5.160 10.877 1.00 0.00 C ATOM 1609 C ALA A 590 13.224 -6.537 10.840 1.00 0.00 C ATOM 1610 O ALA A 590 13.768 -7.508 11.367 1.00 0.00 O ATOM 1611 CB ALA A 590 12.970 -4.181 11.623 1.00 0.00 C ATOM 0 H ALA A 590 13.568 -3.868 9.251 1.00 0.00 H new ATOM 0 HA ALA A 590 14.832 -5.238 11.398 1.00 0.00 H new ATOM 0 HB1 ALA A 590 12.787 -4.551 12.632 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.453 -3.205 11.676 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.022 -4.088 11.093 1.00 0.00 H new ATOM 1617 N ILE A 591 12.054 -6.614 10.215 1.00 0.00 N ATOM 1618 CA ILE A 591 11.333 -7.877 10.114 1.00 0.00 C ATOM 1619 C ILE A 591 11.958 -8.770 9.046 1.00 0.00 C ATOM 1620 O ILE A 591 12.787 -8.321 8.254 1.00 0.00 O ATOM 1621 CB ILE A 591 9.864 -7.618 9.774 1.00 0.00 C ATOM 1622 CG1 ILE A 591 9.774 -6.693 8.556 1.00 0.00 C ATOM 1623 CG2 ILE A 591 9.174 -6.954 10.967 1.00 0.00 C ATOM 1624 CD1 ILE A 591 8.310 -6.533 8.143 1.00 0.00 C ATOM 0 H ILE A 591 11.587 -5.822 9.773 1.00 0.00 H new ATOM 0 HA ILE A 591 11.396 -8.385 11.076 1.00 0.00 H new ATOM 0 HB ILE A 591 9.373 -8.565 9.548 1.00 0.00 H new ATOM 0 HG12 ILE A 591 10.204 -5.720 8.793 1.00 0.00 H new ATOM 0 HG13 ILE A 591 10.353 -7.105 7.730 1.00 0.00 H new ATOM 0 HG21 ILE A 591 8.127 -6.769 10.725 1.00 0.00 H new ATOM 0 HG22 ILE A 591 9.236 -7.611 11.835 1.00 0.00 H new ATOM 0 HG23 ILE A 591 9.667 -6.008 11.192 1.00 0.00 H new ATOM 0 HD11 ILE A 591 8.246 -5.875 7.276 1.00 0.00 H new ATOM 0 HD12 ILE A 591 7.895 -7.508 7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 591 7.744 -6.102 8.969 1.00 0.00 H new ATOM 1636 N GLU A 592 11.556 -10.038 9.030 1.00 0.00 N ATOM 1637 CA GLU A 592 12.085 -10.986 8.056 1.00 0.00 C ATOM 1638 C GLU A 592 11.524 -10.700 6.666 1.00 0.00 C ATOM 1639 O GLU A 592 10.473 -11.220 6.291 1.00 0.00 O ATOM 1640 CB GLU A 592 11.729 -12.414 8.469 1.00 0.00 C ATOM 1641 CG GLU A 592 12.498 -12.788 9.738 1.00 0.00 C ATOM 1642 CD GLU A 592 13.984 -12.930 9.424 1.00 0.00 C ATOM 1643 OE1 GLU A 592 14.366 -13.977 8.928 1.00 0.00 O ATOM 1644 OE2 GLU A 592 14.717 -11.991 9.685 1.00 0.00 O ATOM 0 H GLU A 592 10.871 -10.430 9.676 1.00 0.00 H new ATOM 0 HA GLU A 592 13.169 -10.877 8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 592 10.656 -12.496 8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 592 11.975 -13.108 7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 592 12.350 -12.024 10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 592 12.113 -13.723 10.144 1.00 0.00 H new ATOM 1651 N HIS A 593 12.234 -9.872 5.907 1.00 0.00 N ATOM 1652 CA HIS A 593 11.807 -9.519 4.555 1.00 0.00 C ATOM 1653 C HIS A 593 12.987 -9.612 3.588 1.00 0.00 C ATOM 1654 O HIS A 593 13.585 -8.598 3.224 1.00 0.00 O ATOM 1655 CB HIS A 593 11.244 -8.093 4.543 1.00 0.00 C ATOM 1656 CG HIS A 593 9.799 -8.110 4.968 1.00 0.00 C ATOM 1657 ND1 HIS A 593 9.156 -9.272 5.365 1.00 0.00 N ATOM 1658 CD2 HIS A 593 8.860 -7.113 5.060 1.00 0.00 C ATOM 1659 CE1 HIS A 593 7.887 -8.948 5.675 1.00 0.00 C ATOM 1660 NE2 HIS A 593 7.653 -7.645 5.507 1.00 0.00 N ATOM 0 H HIS A 593 13.106 -9.433 6.203 1.00 0.00 H new ATOM 0 HA HIS A 593 11.032 -10.217 4.238 1.00 0.00 H new ATOM 0 HB2 HIS A 593 11.822 -7.458 5.215 1.00 0.00 H new ATOM 0 HB3 HIS A 593 11.334 -7.665 3.544 1.00 0.00 H new ATOM 0 HD1 HIS A 593 9.569 -10.203 5.413 1.00 0.00 H new ATOM 0 HD2 HIS A 593 9.031 -6.074 4.822 1.00 0.00 H new ATOM 0 HE1 HIS A 593 7.148 -9.657 6.018 1.00 0.00 H new ATOM 1668 N PRO A 594 13.329 -10.803 3.170 1.00 0.00 N ATOM 1669 CA PRO A 594 14.460 -11.033 2.229 1.00 0.00 C ATOM 1670 C PRO A 594 14.113 -10.614 0.801 1.00 0.00 C ATOM 1671 O PRO A 594 14.708 -9.686 0.255 1.00 0.00 O ATOM 1672 CB PRO A 594 14.732 -12.548 2.313 1.00 0.00 C ATOM 1673 CG PRO A 594 13.753 -13.116 3.302 1.00 0.00 C ATOM 1674 CD PRO A 594 12.676 -12.059 3.546 1.00 0.00 C ATOM 0 HA PRO A 594 15.332 -10.436 2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 594 14.609 -13.017 1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 594 15.757 -12.739 2.632 1.00 0.00 H new ATOM 0 HG2 PRO A 594 13.308 -14.034 2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 594 14.256 -13.372 4.234 1.00 0.00 H new ATOM 0 HD2 PRO A 594 11.788 -12.245 2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 594 12.355 -12.047 4.588 1.00 0.00 H new ATOM 1682 N MET A 595 13.148 -11.305 0.201 1.00 0.00 N ATOM 1683 CA MET A 595 12.735 -10.996 -1.164 1.00 0.00 C ATOM 1684 C MET A 595 12.602 -9.487 -1.357 1.00 0.00 C ATOM 1685 O MET A 595 13.186 -8.916 -2.278 1.00 0.00 O ATOM 1686 CB MET A 595 11.398 -11.673 -1.468 1.00 0.00 C ATOM 1687 CG MET A 595 11.101 -11.576 -2.967 1.00 0.00 C ATOM 1688 SD MET A 595 12.262 -12.622 -3.882 1.00 0.00 S ATOM 1689 CE MET A 595 12.153 -11.750 -5.464 1.00 0.00 C ATOM 0 H MET A 595 12.641 -12.077 0.634 1.00 0.00 H new ATOM 0 HA MET A 595 13.496 -11.370 -1.849 1.00 0.00 H new ATOM 0 HB2 MET A 595 11.430 -12.718 -1.160 1.00 0.00 H new ATOM 0 HB3 MET A 595 10.600 -11.197 -0.898 1.00 0.00 H new ATOM 0 HG2 MET A 595 10.077 -11.891 -3.167 1.00 0.00 H new ATOM 0 HG3 MET A 595 11.187 -10.542 -3.299 1.00 0.00 H new ATOM 0 HE1 MET A 595 12.803 -12.235 -6.192 1.00 0.00 H new ATOM 0 HE2 MET A 595 11.124 -11.774 -5.823 1.00 0.00 H new ATOM 0 HE3 MET A 595 12.466 -10.715 -5.331 1.00 0.00 H new ATOM 1699 N THR A 596 11.834 -8.850 -0.481 1.00 0.00 N ATOM 1700 CA THR A 596 11.630 -7.407 -0.561 1.00 0.00 C ATOM 1701 C THR A 596 12.948 -6.690 -0.842 1.00 0.00 C ATOM 1702 O THR A 596 12.960 -5.572 -1.357 1.00 0.00 O ATOM 1703 CB THR A 596 11.035 -6.890 0.751 1.00 0.00 C ATOM 1704 OG1 THR A 596 10.067 -7.816 1.227 1.00 0.00 O ATOM 1705 CG2 THR A 596 10.370 -5.531 0.515 1.00 0.00 C ATOM 0 H THR A 596 11.344 -9.306 0.289 1.00 0.00 H new ATOM 0 HA THR A 596 10.939 -7.203 -1.379 1.00 0.00 H new ATOM 0 HB THR A 596 11.829 -6.779 1.490 1.00 0.00 H new ATOM 0 HG1 THR A 596 9.686 -7.488 2.068 1.00 0.00 H new ATOM 0 HG21 THR A 596 9.947 -5.165 1.451 1.00 0.00 H new ATOM 0 HG22 THR A 596 11.112 -4.821 0.150 1.00 0.00 H new ATOM 0 HG23 THR A 596 9.576 -5.638 -0.224 1.00 0.00 H new ATOM 1713 N SER A 597 14.055 -7.339 -0.495 1.00 0.00 N ATOM 1714 CA SER A 597 15.374 -6.750 -0.709 1.00 0.00 C ATOM 1715 C SER A 597 15.461 -6.104 -2.088 1.00 0.00 C ATOM 1716 O SER A 597 16.288 -5.222 -2.318 1.00 0.00 O ATOM 1717 CB SER A 597 16.453 -7.825 -0.579 1.00 0.00 C ATOM 1718 OG SER A 597 16.149 -8.905 -1.452 1.00 0.00 O ATOM 0 H SER A 597 14.067 -8.265 -0.068 1.00 0.00 H new ATOM 0 HA SER A 597 15.532 -5.981 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 597 17.430 -7.408 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 597 16.508 -8.179 0.450 1.00 0.00 H new ATOM 0 HG SER A 597 15.480 -9.486 -1.033 1.00 0.00 H new ATOM 1724 N ALA A 598 14.599 -6.543 -3.000 1.00 0.00 N ATOM 1725 CA ALA A 598 14.590 -5.991 -4.350 1.00 0.00 C ATOM 1726 C ALA A 598 14.177 -4.524 -4.317 1.00 0.00 C ATOM 1727 O ALA A 598 14.746 -3.691 -5.024 1.00 0.00 O ATOM 1728 CB ALA A 598 13.621 -6.779 -5.232 1.00 0.00 C ATOM 0 H ALA A 598 13.905 -7.271 -2.832 1.00 0.00 H new ATOM 0 HA ALA A 598 15.595 -6.068 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 598 13.621 -6.359 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 598 13.934 -7.822 -5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 598 12.616 -6.718 -4.814 1.00 0.00 H new ATOM 1734 N ILE A 599 13.185 -4.215 -3.487 1.00 0.00 N ATOM 1735 CA ILE A 599 12.703 -2.845 -3.365 1.00 0.00 C ATOM 1736 C ILE A 599 13.656 -2.020 -2.506 1.00 0.00 C ATOM 1737 O ILE A 599 13.771 -0.807 -2.679 1.00 0.00 O ATOM 1738 CB ILE A 599 11.310 -2.835 -2.736 1.00 0.00 C ATOM 1739 CG1 ILE A 599 10.331 -3.581 -3.649 1.00 0.00 C ATOM 1740 CG2 ILE A 599 10.840 -1.389 -2.564 1.00 0.00 C ATOM 1741 CD1 ILE A 599 9.028 -3.850 -2.890 1.00 0.00 C ATOM 0 H ILE A 599 12.703 -4.890 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 599 12.654 -2.406 -4.361 1.00 0.00 H new ATOM 0 HB ILE A 599 11.348 -3.326 -1.763 1.00 0.00 H new ATOM 0 HG12 ILE A 599 10.129 -2.990 -4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 599 10.771 -4.521 -3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 599 9.847 -1.380 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 599 11.535 -0.855 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 599 10.803 -0.900 -3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 599 8.332 -4.381 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 599 9.238 -4.458 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 599 8.585 -2.903 -2.580 1.00 0.00 H new ATOM 1753 N GLU A 600 14.338 -2.688 -1.581 1.00 0.00 N ATOM 1754 CA GLU A 600 15.280 -2.007 -0.700 1.00 0.00 C ATOM 1755 C GLU A 600 16.361 -1.304 -1.514 1.00 0.00 C ATOM 1756 O GLU A 600 16.647 -0.126 -1.300 1.00 0.00 O ATOM 1757 CB GLU A 600 15.929 -3.016 0.249 1.00 0.00 C ATOM 1758 CG GLU A 600 16.663 -2.270 1.366 1.00 0.00 C ATOM 1759 CD GLU A 600 17.600 -3.222 2.100 1.00 0.00 C ATOM 1760 OE1 GLU A 600 17.108 -4.172 2.686 1.00 0.00 O ATOM 1761 OE2 GLU A 600 18.796 -2.988 2.065 1.00 0.00 O ATOM 0 H GLU A 600 14.257 -3.692 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 600 14.734 -1.262 -0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 600 15.169 -3.672 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 600 16.627 -3.649 -0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 600 17.230 -1.439 0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 600 15.943 -1.845 2.065 1.00 0.00 H new ATOM 1768 N VAL A 601 16.956 -2.037 -2.450 1.00 0.00 N ATOM 1769 CA VAL A 601 18.005 -1.474 -3.294 1.00 0.00 C ATOM 1770 C VAL A 601 17.415 -0.478 -4.286 1.00 0.00 C ATOM 1771 O VAL A 601 18.072 0.490 -4.672 1.00 0.00 O ATOM 1772 CB VAL A 601 18.718 -2.593 -4.053 1.00 0.00 C ATOM 1773 CG1 VAL A 601 19.855 -2.000 -4.887 1.00 0.00 C ATOM 1774 CG2 VAL A 601 19.293 -3.601 -3.054 1.00 0.00 C ATOM 0 H VAL A 601 16.733 -3.013 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 601 18.721 -0.954 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 601 18.008 -3.095 -4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 601 20.364 -2.798 -5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 601 19.448 -1.281 -5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 601 20.565 -1.498 -4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 601 19.802 -4.399 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 601 20.003 -3.098 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 601 18.484 -4.024 -2.458 1.00 0.00 H new ATOM 1784 N LEU A 602 16.174 -0.720 -4.693 1.00 0.00 N ATOM 1785 CA LEU A 602 15.506 0.165 -5.641 1.00 0.00 C ATOM 1786 C LEU A 602 15.240 1.527 -5.005 1.00 0.00 C ATOM 1787 O LEU A 602 15.863 2.525 -5.370 1.00 0.00 O ATOM 1788 CB LEU A 602 14.182 -0.457 -6.091 1.00 0.00 C ATOM 1789 CG LEU A 602 13.610 0.331 -7.275 1.00 0.00 C ATOM 1790 CD1 LEU A 602 14.394 0.007 -8.553 1.00 0.00 C ATOM 1791 CD2 LEU A 602 12.139 -0.049 -7.470 1.00 0.00 C ATOM 0 H LEU A 602 15.614 -1.515 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 602 16.156 0.300 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 602 14.338 -1.497 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 602 13.471 -0.456 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 602 13.693 1.398 -7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 602 13.979 0.572 -9.388 1.00 0.00 H new ATOM 0 HD12 LEU A 602 15.441 0.278 -8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 602 14.320 -1.060 -8.765 1.00 0.00 H new ATOM 0 HD21 LEU A 602 11.728 0.509 -8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 602 12.063 -1.118 -7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 602 11.578 0.191 -6.567 1.00 0.00 H new ATOM 1803 N VAL A 603 14.312 1.559 -4.055 1.00 0.00 N ATOM 1804 CA VAL A 603 13.972 2.804 -3.375 1.00 0.00 C ATOM 1805 C VAL A 603 15.179 3.349 -2.619 1.00 0.00 C ATOM 1806 O VAL A 603 15.452 4.549 -2.649 1.00 0.00 O ATOM 1807 CB VAL A 603 12.821 2.568 -2.399 1.00 0.00 C ATOM 1808 CG1 VAL A 603 12.508 3.868 -1.655 1.00 0.00 C ATOM 1809 CG2 VAL A 603 11.580 2.115 -3.172 1.00 0.00 C ATOM 0 H VAL A 603 13.785 0.744 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 603 13.668 3.534 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 603 13.106 1.797 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 603 11.687 3.700 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 603 13.390 4.193 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 603 12.224 4.638 -2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 603 10.759 1.947 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 603 11.296 2.886 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 603 11.800 1.189 -3.704 1.00 0.00 H new ATOM 1819 N GLY A 604 15.899 2.460 -1.942 1.00 0.00 N ATOM 1820 CA GLY A 604 17.075 2.866 -1.181 1.00 0.00 C ATOM 1821 C GLY A 604 18.044 3.652 -2.058 1.00 0.00 C ATOM 1822 O GLY A 604 18.275 4.840 -1.833 1.00 0.00 O ATOM 0 H GLY A 604 15.691 1.462 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 604 16.770 3.476 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 604 17.575 1.985 -0.778 1.00 0.00 H new ATOM 1826 N SER A 605 18.608 2.981 -3.057 1.00 0.00 N ATOM 1827 CA SER A 605 19.550 3.629 -3.962 1.00 0.00 C ATOM 1828 C SER A 605 18.981 4.947 -4.475 1.00 0.00 C ATOM 1829 O SER A 605 19.669 5.968 -4.487 1.00 0.00 O ATOM 1830 CB SER A 605 19.854 2.708 -5.144 1.00 0.00 C ATOM 1831 OG SER A 605 20.928 3.252 -5.900 1.00 0.00 O ATOM 0 H SER A 605 18.431 1.997 -3.259 1.00 0.00 H new ATOM 0 HA SER A 605 20.470 3.833 -3.414 1.00 0.00 H new ATOM 0 HB2 SER A 605 20.114 1.712 -4.786 1.00 0.00 H new ATOM 0 HB3 SER A 605 18.970 2.600 -5.772 1.00 0.00 H new ATOM 0 HG SER A 605 21.126 2.663 -6.658 1.00 0.00 H new ATOM 1837 N CYS A 606 17.721 4.919 -4.894 1.00 0.00 N ATOM 1838 CA CYS A 606 17.069 6.119 -5.404 1.00 0.00 C ATOM 1839 C CYS A 606 16.657 7.032 -4.253 1.00 0.00 C ATOM 1840 O CYS A 606 15.538 6.941 -3.746 1.00 0.00 O ATOM 1841 CB CYS A 606 15.834 5.737 -6.221 1.00 0.00 C ATOM 1842 SG CYS A 606 16.354 4.945 -7.765 1.00 0.00 S ATOM 0 H CYS A 606 17.134 4.085 -4.891 1.00 0.00 H new ATOM 0 HA CYS A 606 17.775 6.650 -6.042 1.00 0.00 H new ATOM 0 HB2 CYS A 606 15.200 5.060 -5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 606 15.239 6.624 -6.437 1.00 0.00 H new ATOM 0 HG CYS A 606 15.305 4.618 -8.460 1.00 0.00 H new ATOM 1848 N ALA A 607 17.568 7.910 -3.845 1.00 0.00 N ATOM 1849 CA ALA A 607 17.295 8.839 -2.750 1.00 0.00 C ATOM 1850 C ALA A 607 17.662 10.262 -3.152 1.00 0.00 C ATOM 1851 O ALA A 607 17.891 10.547 -4.328 1.00 0.00 O ATOM 1852 CB ALA A 607 18.097 8.434 -1.512 1.00 0.00 C ATOM 0 H ALA A 607 18.499 7.999 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 607 16.230 8.801 -2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 607 17.889 9.130 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 607 17.813 7.427 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 607 19.162 8.456 -1.745 1.00 0.00 H new