USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 531 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 90 MET CE :methyl 155:sc= -12.3! (180deg=-16.7!) USER MOD Set 1.2: A 91 GLN : amide:sc= -0.62! C(o=-13!,f=-24!) USER MOD Set 2.1: A 60 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 62 ASN : amide:sc= -3.35 K(o=-3.3,f=-0.94) USER MOD Single : A 29 THR OG1 : rot -15:sc= 0.6 USER MOD Single : A 31 CYS SG : rot 180:sc= -4.61! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00361 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0069 USER MOD Single : A 75 THR OG1 : rot -4:sc= -5.33! USER MOD Single : A 77 GLN : amide:sc= -11.5! C(o=-11!,f=-11!) USER MOD Single : A 84 GLN : amide:sc= -2.89 K(o=-2.9,f=-8.4!) USER MOD Single : A 88 THR OG1 : rot -90:sc= -3.61! USER MOD Single : A 94 THR OG1 : rot -170:sc= -0.109 USER MOD Single : A 100 ASN : amide:sc= -1.51 K(o=-1.5,f=-3.1!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 349 N THR A 29 -2.992 -9.107 -13.839 1.00 0.00 N ATOM 350 CA THR A 29 -3.181 -7.638 -14.003 1.00 0.00 C ATOM 351 C THR A 29 -2.268 -6.903 -13.019 1.00 0.00 C ATOM 352 O THR A 29 -2.252 -7.193 -11.840 1.00 0.00 O ATOM 353 CB THR A 29 -4.641 -7.273 -13.721 1.00 0.00 C ATOM 354 OG1 THR A 29 -5.165 -8.148 -12.732 1.00 0.00 O ATOM 355 CG2 THR A 29 -5.460 -7.405 -15.006 1.00 0.00 C ATOM 0 HA THR A 29 -2.930 -7.347 -15.023 1.00 0.00 H new ATOM 0 HB THR A 29 -4.695 -6.245 -13.362 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.572 -8.922 -12.632 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.499 -7.145 -14.804 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.059 -6.732 -15.764 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.407 -8.432 -15.367 1.00 0.00 H new ATOM 363 N VAL A 30 -1.503 -5.957 -13.492 1.00 0.00 N ATOM 364 CA VAL A 30 -0.590 -5.214 -12.577 1.00 0.00 C ATOM 365 C VAL A 30 -1.127 -3.801 -12.348 1.00 0.00 C ATOM 366 O VAL A 30 -1.796 -3.230 -13.184 1.00 0.00 O ATOM 367 CB VAL A 30 0.810 -5.130 -13.205 1.00 0.00 C ATOM 368 CG1 VAL A 30 1.614 -3.994 -12.559 1.00 0.00 C ATOM 369 CG2 VAL A 30 1.549 -6.450 -12.985 1.00 0.00 C ATOM 0 H VAL A 30 -1.471 -5.667 -14.469 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.533 -5.739 -11.624 1.00 0.00 H new ATOM 0 HB VAL A 30 0.704 -4.935 -14.272 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.604 -3.945 -13.013 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.096 -3.048 -12.715 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.714 -4.181 -11.490 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.542 -6.390 -13.431 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.642 -6.641 -11.916 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.991 -7.262 -13.451 1.00 0.00 H new ATOM 379 N CYS A 31 -0.813 -3.229 -11.221 1.00 0.00 N ATOM 380 CA CYS A 31 -1.275 -1.843 -10.927 1.00 0.00 C ATOM 381 C CYS A 31 -0.168 -1.110 -10.162 1.00 0.00 C ATOM 382 O CYS A 31 -0.126 -1.119 -8.947 1.00 0.00 O ATOM 383 CB CYS A 31 -2.553 -1.881 -10.084 1.00 0.00 C ATOM 384 SG CYS A 31 -3.572 -3.291 -10.587 1.00 0.00 S ATOM 0 H CYS A 31 -0.254 -3.663 -10.487 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.492 -1.322 -11.859 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.301 -1.961 -9.027 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.111 -0.953 -10.210 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.655 -3.322 -9.869 1.00 0.00 H new ATOM 390 N THR A 32 0.734 -0.482 -10.870 1.00 0.00 N ATOM 391 CA THR A 32 1.848 0.245 -10.198 1.00 0.00 C ATOM 392 C THR A 32 1.292 1.472 -9.467 1.00 0.00 C ATOM 393 O THR A 32 0.553 2.257 -10.027 1.00 0.00 O ATOM 394 CB THR A 32 2.866 0.678 -11.258 1.00 0.00 C ATOM 395 OG1 THR A 32 2.954 -0.327 -12.259 1.00 0.00 O ATOM 396 CG2 THR A 32 4.238 0.873 -10.612 1.00 0.00 C ATOM 0 H THR A 32 0.746 -0.442 -11.889 1.00 0.00 H new ATOM 0 HA THR A 32 2.335 -0.405 -9.471 1.00 0.00 H new ATOM 0 HB THR A 32 2.544 1.619 -11.705 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.603 -0.054 -12.941 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.957 1.181 -11.371 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.172 1.642 -9.842 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.565 -0.064 -10.162 1.00 0.00 H new ATOM 404 N VAL A 33 1.617 1.628 -8.209 1.00 0.00 N ATOM 405 CA VAL A 33 1.084 2.785 -7.432 1.00 0.00 C ATOM 406 C VAL A 33 2.161 3.349 -6.496 1.00 0.00 C ATOM 407 O VAL A 33 3.130 2.691 -6.179 1.00 0.00 O ATOM 408 CB VAL A 33 -0.101 2.321 -6.576 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.391 2.921 -7.124 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.215 0.792 -6.581 1.00 0.00 C ATOM 0 H VAL A 33 2.230 1.002 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 33 0.773 3.557 -8.136 1.00 0.00 H new ATOM 0 HB VAL A 33 0.063 2.656 -5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.233 2.591 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.327 4.009 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.537 2.593 -8.153 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.063 0.488 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.363 0.442 -7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.700 0.358 -6.177 1.00 0.00 H new ATOM 420 N THR A 34 1.980 4.562 -6.028 1.00 0.00 N ATOM 421 CA THR A 34 2.964 5.160 -5.086 1.00 0.00 C ATOM 422 C THR A 34 2.292 5.372 -3.729 1.00 0.00 C ATOM 423 O THR A 34 1.172 5.839 -3.652 1.00 0.00 O ATOM 424 CB THR A 34 3.442 6.514 -5.611 1.00 0.00 C ATOM 425 OG1 THR A 34 2.437 7.094 -6.428 1.00 0.00 O ATOM 426 CG2 THR A 34 4.742 6.352 -6.398 1.00 0.00 C ATOM 0 H THR A 34 1.188 5.161 -6.262 1.00 0.00 H new ATOM 0 HA THR A 34 3.816 4.487 -4.990 1.00 0.00 H new ATOM 0 HB THR A 34 3.635 7.174 -4.765 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.747 7.962 -6.761 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.069 7.325 -6.765 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.510 5.932 -5.749 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.575 5.683 -7.242 1.00 0.00 H new ATOM 434 N LEU A 35 2.953 5.038 -2.656 1.00 0.00 N ATOM 435 CA LEU A 35 2.313 5.237 -1.314 1.00 0.00 C ATOM 436 C LEU A 35 3.063 6.284 -0.494 1.00 0.00 C ATOM 437 O LEU A 35 3.618 5.980 0.541 1.00 0.00 O ATOM 438 CB LEU A 35 2.319 3.930 -0.548 1.00 0.00 C ATOM 439 CG LEU A 35 1.028 3.142 -0.819 1.00 0.00 C ATOM 440 CD1 LEU A 35 -0.083 3.658 0.096 1.00 0.00 C ATOM 441 CD2 LEU A 35 0.596 3.317 -2.281 1.00 0.00 C ATOM 0 H LEU A 35 3.893 4.642 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 35 1.292 5.580 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.184 3.334 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.414 4.128 0.520 1.00 0.00 H new ATOM 0 HG LEU A 35 1.212 2.085 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.000 3.100 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.212 3.526 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.254 4.716 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.320 2.754 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.418 4.373 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.383 2.949 -2.939 1.00 0.00 H new ATOM 453 N GLU A 36 3.054 7.505 -0.952 1.00 0.00 N ATOM 454 CA GLU A 36 3.749 8.636 -0.245 1.00 0.00 C ATOM 455 C GLU A 36 4.125 8.251 1.189 1.00 0.00 C ATOM 456 O GLU A 36 3.283 8.171 2.061 1.00 0.00 O ATOM 457 CB GLU A 36 2.822 9.852 -0.211 1.00 0.00 C ATOM 458 CG GLU A 36 1.385 9.391 0.043 1.00 0.00 C ATOM 459 CD GLU A 36 0.521 10.597 0.414 1.00 0.00 C ATOM 460 OE1 GLU A 36 1.057 11.694 0.454 1.00 0.00 O ATOM 461 OE2 GLU A 36 -0.659 10.407 0.653 1.00 0.00 O ATOM 0 H GLU A 36 2.581 7.781 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 36 4.665 8.868 -0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.138 10.542 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.880 10.393 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.985 8.904 -0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.365 8.655 0.846 1.00 0.00 H new ATOM 468 N LYS A 37 5.385 8.006 1.437 1.00 0.00 N ATOM 469 CA LYS A 37 5.801 7.622 2.823 1.00 0.00 C ATOM 470 C LYS A 37 5.908 8.879 3.687 1.00 0.00 C ATOM 471 O LYS A 37 6.515 9.861 3.305 1.00 0.00 O ATOM 472 CB LYS A 37 7.158 6.890 2.812 1.00 0.00 C ATOM 473 CG LYS A 37 7.706 6.790 4.241 1.00 0.00 C ATOM 474 CD LYS A 37 7.688 5.330 4.693 1.00 0.00 C ATOM 475 CE LYS A 37 8.616 5.158 5.895 1.00 0.00 C ATOM 476 NZ LYS A 37 7.896 5.547 7.139 1.00 0.00 N ATOM 0 H LYS A 37 6.138 8.054 0.750 1.00 0.00 H new ATOM 0 HA LYS A 37 5.050 6.947 3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.040 5.893 2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.865 7.425 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.723 7.181 4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.104 7.398 4.916 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.673 5.033 4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.008 4.682 3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.950 4.123 5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.507 5.773 5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.528 5.430 7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.598 6.541 7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.059 4.942 7.259 1.00 0.00 H new ATOM 528 N GLY A 41 4.799 3.561 8.209 1.00 0.00 N ATOM 529 CA GLY A 41 4.724 2.311 7.396 1.00 0.00 C ATOM 530 C GLY A 41 3.876 2.557 6.147 1.00 0.00 C ATOM 531 O GLY A 41 3.005 1.777 5.821 1.00 0.00 O ATOM 0 HA2 GLY A 41 5.726 1.992 7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.290 1.506 7.989 1.00 0.00 H new ATOM 535 N LEU A 42 4.144 3.637 5.450 1.00 0.00 N ATOM 536 CA LEU A 42 3.382 3.991 4.205 1.00 0.00 C ATOM 537 C LEU A 42 1.954 3.448 4.243 1.00 0.00 C ATOM 538 O LEU A 42 1.396 3.077 3.230 1.00 0.00 O ATOM 539 CB LEU A 42 4.097 3.489 2.937 1.00 0.00 C ATOM 540 CG LEU A 42 4.904 2.223 3.211 1.00 0.00 C ATOM 541 CD1 LEU A 42 4.322 1.074 2.395 1.00 0.00 C ATOM 542 CD2 LEU A 42 6.359 2.451 2.799 1.00 0.00 C ATOM 0 H LEU A 42 4.875 4.304 5.697 1.00 0.00 H new ATOM 0 HA LEU A 42 3.338 5.080 4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.361 3.290 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.759 4.268 2.559 1.00 0.00 H new ATOM 0 HG LEU A 42 4.860 1.980 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.894 0.166 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.282 0.915 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.373 1.319 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.938 1.548 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.403 2.688 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.774 3.279 3.373 1.00 0.00 H new ATOM 554 N GLY A 43 1.343 3.421 5.395 1.00 0.00 N ATOM 555 CA GLY A 43 -0.054 2.931 5.474 1.00 0.00 C ATOM 556 C GLY A 43 -0.123 1.436 5.162 1.00 0.00 C ATOM 557 O GLY A 43 -1.192 0.862 5.140 1.00 0.00 O ATOM 0 H GLY A 43 1.753 3.717 6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.454 3.118 6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.678 3.483 4.771 1.00 0.00 H new ATOM 561 N PHE A 44 0.984 0.777 4.919 1.00 0.00 N ATOM 562 CA PHE A 44 0.879 -0.674 4.628 1.00 0.00 C ATOM 563 C PHE A 44 2.159 -1.424 4.996 1.00 0.00 C ATOM 564 O PHE A 44 3.258 -0.908 4.947 1.00 0.00 O ATOM 565 CB PHE A 44 0.494 -0.888 3.150 1.00 0.00 C ATOM 566 CG PHE A 44 1.700 -1.082 2.248 1.00 0.00 C ATOM 567 CD1 PHE A 44 2.552 -2.185 2.410 1.00 0.00 C ATOM 568 CD2 PHE A 44 1.942 -0.164 1.218 1.00 0.00 C ATOM 569 CE1 PHE A 44 3.637 -2.365 1.546 1.00 0.00 C ATOM 570 CE2 PHE A 44 3.030 -0.345 0.360 1.00 0.00 C ATOM 571 CZ PHE A 44 3.875 -1.444 0.523 1.00 0.00 C ATOM 0 H PHE A 44 1.925 1.171 4.910 1.00 0.00 H new ATOM 0 HA PHE A 44 0.090 -1.092 5.253 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.156 -1.759 3.072 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.080 -0.030 2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.370 -2.896 3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.287 0.685 1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.291 -3.216 1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.217 0.367 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.714 -1.582 -0.143 1.00 0.00 H new ATOM 581 N SER A 45 1.979 -2.661 5.359 1.00 0.00 N ATOM 582 CA SER A 45 3.114 -3.554 5.750 1.00 0.00 C ATOM 583 C SER A 45 3.026 -4.844 4.918 1.00 0.00 C ATOM 584 O SER A 45 1.965 -5.223 4.455 1.00 0.00 O ATOM 585 CB SER A 45 3.002 -3.893 7.239 1.00 0.00 C ATOM 586 OG SER A 45 3.251 -5.281 7.429 1.00 0.00 O ATOM 0 H SER A 45 1.063 -3.108 5.404 1.00 0.00 H new ATOM 0 HA SER A 45 4.067 -3.057 5.568 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.717 -3.303 7.812 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.009 -3.637 7.608 1.00 0.00 H new ATOM 0 HG SER A 45 3.181 -5.498 8.382 1.00 0.00 H new ATOM 592 N LEU A 46 4.133 -5.508 4.713 1.00 0.00 N ATOM 593 CA LEU A 46 4.132 -6.761 3.883 1.00 0.00 C ATOM 594 C LEU A 46 4.207 -8.017 4.767 1.00 0.00 C ATOM 595 O LEU A 46 4.842 -8.008 5.802 1.00 0.00 O ATOM 596 CB LEU A 46 5.364 -6.731 2.974 1.00 0.00 C ATOM 597 CG LEU A 46 4.955 -6.518 1.523 1.00 0.00 C ATOM 598 CD1 LEU A 46 3.857 -5.461 1.449 1.00 0.00 C ATOM 599 CD2 LEU A 46 6.182 -6.053 0.739 1.00 0.00 C ATOM 0 H LEU A 46 5.044 -5.240 5.084 1.00 0.00 H new ATOM 0 HA LEU A 46 3.208 -6.800 3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.036 -5.932 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.915 -7.667 3.068 1.00 0.00 H new ATOM 0 HG LEU A 46 4.574 -7.447 1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.566 -5.311 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.992 -5.794 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.227 -4.522 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.909 -5.895 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.552 -5.119 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.961 -6.813 0.799 1.00 0.00 H new ATOM 611 N GLU A 47 3.587 -9.116 4.365 1.00 0.00 N ATOM 612 CA GLU A 47 3.687 -10.352 5.213 1.00 0.00 C ATOM 613 C GLU A 47 3.719 -11.616 4.346 1.00 0.00 C ATOM 614 O GLU A 47 3.189 -11.658 3.253 1.00 0.00 O ATOM 615 CB GLU A 47 2.512 -10.446 6.177 1.00 0.00 C ATOM 616 CG GLU A 47 2.610 -9.322 7.211 1.00 0.00 C ATOM 617 CD GLU A 47 1.702 -9.642 8.399 1.00 0.00 C ATOM 618 OE1 GLU A 47 1.079 -10.691 8.378 1.00 0.00 O ATOM 619 OE2 GLU A 47 1.646 -8.834 9.312 1.00 0.00 O ATOM 0 H GLU A 47 3.034 -9.206 3.513 1.00 0.00 H new ATOM 0 HA GLU A 47 4.616 -10.280 5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.572 -10.371 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.514 -11.415 6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.641 -9.211 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.318 -8.373 6.761 1.00 0.00 H new ATOM 771 N LEU A 59 5.426 -12.285 -0.672 1.00 0.00 N ATOM 772 CA LEU A 59 5.190 -11.166 0.292 1.00 0.00 C ATOM 773 C LEU A 59 4.015 -10.329 -0.218 1.00 0.00 C ATOM 774 O LEU A 59 4.030 -9.828 -1.325 1.00 0.00 O ATOM 775 CB LEU A 59 6.444 -10.297 0.410 1.00 0.00 C ATOM 776 CG LEU A 59 7.417 -10.937 1.398 1.00 0.00 C ATOM 777 CD1 LEU A 59 8.196 -12.049 0.698 1.00 0.00 C ATOM 778 CD2 LEU A 59 8.395 -9.874 1.908 1.00 0.00 C ATOM 0 HA LEU A 59 4.961 -11.568 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.918 -10.190 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.175 -9.295 0.745 1.00 0.00 H new ATOM 0 HG LEU A 59 6.861 -11.355 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.891 -12.506 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.501 -12.805 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.753 -11.631 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.091 -10.328 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.950 -9.458 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.841 -9.079 2.406 1.00 0.00 H new ATOM 790 N THR A 60 2.982 -10.202 0.570 1.00 0.00 N ATOM 791 CA THR A 60 1.786 -9.431 0.120 1.00 0.00 C ATOM 792 C THR A 60 1.378 -8.427 1.219 1.00 0.00 C ATOM 793 O THR A 60 1.742 -8.600 2.365 1.00 0.00 O ATOM 794 CB THR A 60 0.658 -10.434 -0.099 1.00 0.00 C ATOM 795 OG1 THR A 60 0.525 -11.236 1.064 1.00 0.00 O ATOM 796 CG2 THR A 60 1.026 -11.296 -1.294 1.00 0.00 C ATOM 0 H THR A 60 2.914 -10.599 1.507 1.00 0.00 H new ATOM 0 HA THR A 60 1.999 -8.880 -0.796 1.00 0.00 H new ATOM 0 HB THR A 60 -0.289 -9.927 -0.287 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.199 -11.883 0.934 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.235 -12.024 -1.474 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.146 -10.665 -2.175 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.961 -11.818 -1.092 1.00 0.00 H new ATOM 804 N ILE A 61 0.623 -7.387 0.916 1.00 0.00 N ATOM 805 CA ILE A 61 0.232 -6.443 2.002 1.00 0.00 C ATOM 806 C ILE A 61 -0.858 -7.065 2.867 1.00 0.00 C ATOM 807 O ILE A 61 -1.957 -7.331 2.425 1.00 0.00 O ATOM 808 CB ILE A 61 -0.315 -5.157 1.421 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.782 -4.374 0.704 1.00 0.00 C ATOM 810 CG2 ILE A 61 -0.850 -4.295 2.555 1.00 0.00 C ATOM 811 CD1 ILE A 61 0.195 -3.063 0.173 1.00 0.00 C ATOM 0 H ILE A 61 0.272 -7.162 -0.015 1.00 0.00 H new ATOM 0 HA ILE A 61 1.121 -6.234 2.597 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.102 -5.405 0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.605 -4.168 1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.190 -4.964 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.247 -3.365 2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.643 -4.831 3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.044 -4.071 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.973 -2.498 -0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.614 -3.282 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.192 -2.474 1.005 1.00 0.00 H new ATOM 823 N ASN A 62 -0.547 -7.276 4.099 1.00 0.00 N ATOM 824 CA ASN A 62 -1.549 -7.866 5.049 1.00 0.00 C ATOM 825 C ASN A 62 -2.094 -6.805 6.013 1.00 0.00 C ATOM 826 O ASN A 62 -3.271 -6.784 6.315 1.00 0.00 O ATOM 827 CB ASN A 62 -0.909 -8.977 5.871 1.00 0.00 C ATOM 828 CG ASN A 62 -0.866 -10.269 5.051 1.00 0.00 C ATOM 829 OD1 ASN A 62 -1.050 -11.345 5.583 1.00 0.00 O ATOM 830 ND2 ASN A 62 -0.631 -10.209 3.768 1.00 0.00 N ATOM 0 H ASN A 62 0.364 -7.068 4.509 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.368 -8.263 4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.100 -8.689 6.166 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.476 -9.136 6.788 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.602 -11.065 3.214 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.476 -9.306 3.320 1.00 0.00 H new ATOM 837 N ARG A 63 -1.258 -5.947 6.526 1.00 0.00 N ATOM 838 CA ARG A 63 -1.748 -4.926 7.493 1.00 0.00 C ATOM 839 C ARG A 63 -1.731 -3.535 6.860 1.00 0.00 C ATOM 840 O ARG A 63 -0.728 -2.850 6.871 1.00 0.00 O ATOM 841 CB ARG A 63 -0.843 -4.929 8.726 1.00 0.00 C ATOM 842 CG ARG A 63 -1.347 -5.968 9.727 1.00 0.00 C ATOM 843 CD ARG A 63 -1.499 -5.317 11.103 1.00 0.00 C ATOM 844 NE ARG A 63 -1.320 -6.348 12.162 1.00 0.00 N ATOM 845 CZ ARG A 63 -1.292 -5.991 13.416 1.00 0.00 C ATOM 846 NH1 ARG A 63 -2.220 -5.206 13.893 1.00 0.00 N ATOM 847 NH2 ARG A 63 -0.333 -6.415 14.193 1.00 0.00 N ATOM 0 H ARG A 63 -0.260 -5.908 6.319 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.772 -5.171 7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.183 -5.156 8.436 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.834 -3.941 9.186 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.303 -6.373 9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.649 -6.803 9.783 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.762 -4.523 11.225 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.482 -4.855 11.192 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.220 -7.331 11.908 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.967 -4.872 13.285 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.198 -4.927 14.874 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.394 -7.025 13.819 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.310 -6.136 15.174 1.00 0.00 H new ATOM 861 N ILE A 64 -2.838 -3.103 6.321 1.00 0.00 N ATOM 862 CA ILE A 64 -2.876 -1.750 5.709 1.00 0.00 C ATOM 863 C ILE A 64 -3.480 -0.764 6.696 1.00 0.00 C ATOM 864 O ILE A 64 -4.361 -1.089 7.466 1.00 0.00 O ATOM 865 CB ILE A 64 -3.685 -1.777 4.415 1.00 0.00 C ATOM 866 CG1 ILE A 64 -2.904 -2.619 3.411 1.00 0.00 C ATOM 867 CG2 ILE A 64 -3.859 -0.349 3.878 1.00 0.00 C ATOM 868 CD1 ILE A 64 -3.073 -2.074 1.991 1.00 0.00 C ATOM 0 H ILE A 64 -3.712 -3.627 6.279 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.861 -1.435 5.469 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.675 -2.199 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.848 -2.624 3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.248 -3.652 3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.437 -0.376 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.384 0.256 4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.880 0.087 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.506 -2.692 1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.128 -2.093 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.705 -1.049 1.949 1.00 0.00 H new ATOM 880 N PHE A 65 -2.992 0.437 6.687 1.00 0.00 N ATOM 881 CA PHE A 65 -3.515 1.460 7.639 1.00 0.00 C ATOM 882 C PHE A 65 -4.319 2.519 6.883 1.00 0.00 C ATOM 883 O PHE A 65 -5.485 2.733 7.150 1.00 0.00 O ATOM 884 CB PHE A 65 -2.349 2.140 8.366 1.00 0.00 C ATOM 885 CG PHE A 65 -1.343 1.096 8.827 1.00 0.00 C ATOM 886 CD1 PHE A 65 -1.736 0.083 9.718 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.017 1.138 8.366 1.00 0.00 C ATOM 888 CE1 PHE A 65 -0.805 -0.881 10.144 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.910 0.173 8.795 1.00 0.00 C ATOM 890 CZ PHE A 65 0.514 -0.832 9.682 1.00 0.00 C ATOM 0 H PHE A 65 -2.253 0.761 6.063 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.160 0.964 8.364 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.864 2.856 7.703 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.722 2.701 9.223 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.754 0.045 10.076 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.291 1.914 7.680 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.109 -1.659 10.828 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.929 0.208 8.439 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.228 -1.572 10.011 1.00 0.00 H new ATOM 1003 N GLU A 74 -7.789 4.486 -4.678 1.00 0.00 N ATOM 1004 CA GLU A 74 -7.318 3.306 -3.900 1.00 0.00 C ATOM 1005 C GLU A 74 -5.961 2.842 -4.437 1.00 0.00 C ATOM 1006 O GLU A 74 -5.873 2.220 -5.477 1.00 0.00 O ATOM 1007 CB GLU A 74 -8.336 2.171 -4.033 1.00 0.00 C ATOM 1008 CG GLU A 74 -9.548 2.462 -3.144 1.00 0.00 C ATOM 1009 CD GLU A 74 -10.729 2.897 -4.013 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -10.561 3.828 -4.784 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -11.782 2.291 -3.895 1.00 0.00 O ATOM 0 HA GLU A 74 -7.214 3.582 -2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.650 2.070 -5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.880 1.224 -3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.813 1.574 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.305 3.244 -2.425 1.00 0.00 H new ATOM 1018 N THR A 75 -4.903 3.143 -3.733 1.00 0.00 N ATOM 1019 CA THR A 75 -3.548 2.727 -4.195 1.00 0.00 C ATOM 1020 C THR A 75 -3.029 1.589 -3.317 1.00 0.00 C ATOM 1021 O THR A 75 -1.843 1.452 -3.098 1.00 0.00 O ATOM 1022 CB THR A 75 -2.593 3.914 -4.088 1.00 0.00 C ATOM 1023 OG1 THR A 75 -1.254 3.447 -4.135 1.00 0.00 O ATOM 1024 CG2 THR A 75 -2.836 4.634 -2.761 1.00 0.00 C ATOM 0 H THR A 75 -4.919 3.661 -2.855 1.00 0.00 H new ATOM 0 HA THR A 75 -3.609 2.389 -5.230 1.00 0.00 H new ATOM 0 HB THR A 75 -2.766 4.602 -4.916 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.250 2.468 -4.168 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.157 5.483 -2.678 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.866 4.988 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.658 3.945 -1.935 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.906 0.775 -2.813 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.459 -0.349 -1.946 1.00 0.00 C ATOM 1034 C VAL A 76 -4.311 -1.586 -2.227 1.00 0.00 C ATOM 1035 O VAL A 76 -5.355 -1.510 -2.844 1.00 0.00 O ATOM 1036 CB VAL A 76 -3.601 0.043 -0.472 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -2.279 0.628 0.026 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -4.710 1.088 -0.316 1.00 0.00 C ATOM 0 H VAL A 76 -4.913 0.837 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.414 -0.571 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.856 -0.841 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.377 0.908 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.489 -0.116 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.027 1.510 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.806 1.363 0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.461 1.973 -0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.654 0.673 -0.670 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.873 -2.726 -1.773 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.653 -3.973 -2.005 1.00 0.00 C ATOM 1050 C GLN A 77 -4.428 -4.922 -0.824 1.00 0.00 C ATOM 1051 O GLN A 77 -3.321 -5.041 -0.336 1.00 0.00 O ATOM 1052 CB GLN A 77 -4.193 -4.648 -3.306 1.00 0.00 C ATOM 1053 CG GLN A 77 -2.814 -4.122 -3.722 1.00 0.00 C ATOM 1054 CD GLN A 77 -2.968 -2.759 -4.398 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -3.892 -2.545 -5.158 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -2.092 -1.822 -4.157 1.00 0.00 N ATOM 0 H GLN A 77 -3.006 -2.849 -1.250 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.712 -3.731 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.151 -5.728 -3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.917 -4.456 -4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.168 -4.035 -2.848 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.336 -4.825 -4.404 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.316 -2.001 -3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.183 -0.911 -4.606 1.00 0.00 H new ATOM 1065 N PRO A 78 -5.484 -5.561 -0.383 1.00 0.00 N ATOM 1066 CA PRO A 78 -5.420 -6.492 0.757 1.00 0.00 C ATOM 1067 C PRO A 78 -4.869 -7.855 0.331 1.00 0.00 C ATOM 1068 O PRO A 78 -5.550 -8.648 -0.288 1.00 0.00 O ATOM 1069 CB PRO A 78 -6.878 -6.612 1.204 1.00 0.00 C ATOM 1070 CG PRO A 78 -7.742 -6.227 -0.020 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.834 -5.418 -0.966 1.00 0.00 C ATOM 0 HA PRO A 78 -4.757 -6.141 1.548 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.101 -7.627 1.533 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.082 -5.951 2.047 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.125 -7.117 -0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.606 -5.637 0.286 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.872 -5.807 -1.983 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.139 -4.373 -1.013 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.649 -8.136 0.686 1.00 0.00 N ATOM 1080 CA GLY A 79 -3.051 -9.469 0.329 1.00 0.00 C ATOM 1081 C GLY A 79 -2.565 -9.497 -1.128 1.00 0.00 C ATOM 1082 O GLY A 79 -2.382 -10.556 -1.696 1.00 0.00 O ATOM 0 H GLY A 79 -3.035 -7.509 1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.216 -9.685 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.792 -10.254 0.481 1.00 0.00 H new ATOM 1086 N ASP A 80 -2.339 -8.369 -1.748 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.853 -8.415 -3.163 1.00 0.00 C ATOM 1088 C ASP A 80 -0.435 -8.995 -3.173 1.00 0.00 C ATOM 1089 O ASP A 80 0.261 -8.951 -2.177 1.00 0.00 O ATOM 1090 CB ASP A 80 -1.837 -7.008 -3.779 1.00 0.00 C ATOM 1091 CG ASP A 80 -2.647 -7.022 -5.078 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -2.211 -7.668 -6.016 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -3.688 -6.389 -5.113 1.00 0.00 O ATOM 0 H ASP A 80 -2.465 -7.438 -1.350 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.524 -9.039 -3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.260 -6.286 -3.080 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.812 -6.696 -3.978 1.00 0.00 H new ATOM 1098 N GLU A 81 0.015 -9.535 -4.278 1.00 0.00 N ATOM 1099 CA GLU A 81 1.405 -10.098 -4.291 1.00 0.00 C ATOM 1100 C GLU A 81 2.371 -9.021 -4.791 1.00 0.00 C ATOM 1101 O GLU A 81 3.070 -9.198 -5.769 1.00 0.00 O ATOM 1102 CB GLU A 81 1.482 -11.341 -5.201 1.00 0.00 C ATOM 1103 CG GLU A 81 2.947 -11.747 -5.440 1.00 0.00 C ATOM 1104 CD GLU A 81 3.793 -11.471 -4.192 1.00 0.00 C ATOM 1105 OE1 GLU A 81 3.315 -11.742 -3.103 1.00 0.00 O ATOM 1106 OE2 GLU A 81 4.906 -10.992 -4.348 1.00 0.00 O ATOM 0 H GLU A 81 -0.503 -9.611 -5.153 1.00 0.00 H new ATOM 0 HA GLU A 81 1.679 -10.402 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.940 -12.168 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.997 -11.131 -6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.000 -12.805 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.350 -11.194 -6.289 1.00 0.00 H new ATOM 1113 N ILE A 82 2.424 -7.905 -4.113 1.00 0.00 N ATOM 1114 CA ILE A 82 3.363 -6.814 -4.538 1.00 0.00 C ATOM 1115 C ILE A 82 4.771 -7.411 -4.642 1.00 0.00 C ATOM 1116 O ILE A 82 5.221 -8.070 -3.737 1.00 0.00 O ATOM 1117 CB ILE A 82 3.345 -5.700 -3.485 1.00 0.00 C ATOM 1118 CG1 ILE A 82 1.900 -5.468 -3.022 1.00 0.00 C ATOM 1119 CG2 ILE A 82 3.904 -4.407 -4.088 1.00 0.00 C ATOM 1120 CD1 ILE A 82 1.777 -4.104 -2.338 1.00 0.00 C ATOM 0 H ILE A 82 1.863 -7.698 -3.287 1.00 0.00 H new ATOM 0 HA ILE A 82 3.063 -6.398 -5.500 1.00 0.00 H new ATOM 0 HB ILE A 82 3.961 -5.993 -2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.224 -5.517 -3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.600 -6.257 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.889 -3.618 -3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.929 -4.573 -4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.292 -4.108 -4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.748 -3.951 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.439 -4.070 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.057 -3.318 -3.040 1.00 0.00 H new ATOM 1132 N LEU A 83 5.464 -7.215 -5.740 1.00 0.00 N ATOM 1133 CA LEU A 83 6.836 -7.814 -5.867 1.00 0.00 C ATOM 1134 C LEU A 83 7.880 -6.948 -5.151 1.00 0.00 C ATOM 1135 O LEU A 83 8.776 -7.458 -4.507 1.00 0.00 O ATOM 1136 CB LEU A 83 7.216 -7.911 -7.342 1.00 0.00 C ATOM 1137 CG LEU A 83 6.045 -8.485 -8.139 1.00 0.00 C ATOM 1138 CD1 LEU A 83 5.661 -7.514 -9.256 1.00 0.00 C ATOM 1139 CD2 LEU A 83 6.457 -9.825 -8.751 1.00 0.00 C ATOM 0 H LEU A 83 5.146 -6.674 -6.544 1.00 0.00 H new ATOM 0 HA LEU A 83 6.818 -8.804 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.481 -6.925 -7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.095 -8.545 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 83 5.192 -8.631 -7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.826 -7.924 -9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.370 -6.557 -8.822 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.513 -7.367 -9.919 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.623 -10.237 -9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.310 -9.676 -9.413 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.732 -10.519 -7.956 1.00 0.00 H new ATOM 1151 N GLN A 84 7.793 -5.650 -5.269 1.00 0.00 N ATOM 1152 CA GLN A 84 8.804 -4.782 -4.606 1.00 0.00 C ATOM 1153 C GLN A 84 8.135 -3.504 -4.109 1.00 0.00 C ATOM 1154 O GLN A 84 7.039 -3.167 -4.512 1.00 0.00 O ATOM 1155 CB GLN A 84 9.916 -4.438 -5.609 1.00 0.00 C ATOM 1156 CG GLN A 84 9.416 -3.422 -6.644 1.00 0.00 C ATOM 1157 CD GLN A 84 8.984 -4.158 -7.914 1.00 0.00 C ATOM 1158 OE1 GLN A 84 7.945 -4.789 -7.943 1.00 0.00 O ATOM 1159 NE2 GLN A 84 9.745 -4.104 -8.973 1.00 0.00 N ATOM 0 H GLN A 84 7.070 -5.157 -5.793 1.00 0.00 H new ATOM 0 HA GLN A 84 9.238 -5.308 -3.756 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.778 -4.031 -5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.251 -5.344 -6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.579 -2.854 -6.237 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.204 -2.706 -6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.616 -3.575 -8.948 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.468 -4.591 -9.825 1.00 0.00 H new ATOM 1168 N LEU A 85 8.788 -2.782 -3.247 1.00 0.00 N ATOM 1169 CA LEU A 85 8.189 -1.519 -2.740 1.00 0.00 C ATOM 1170 C LEU A 85 8.916 -0.339 -3.382 1.00 0.00 C ATOM 1171 O LEU A 85 9.747 -0.512 -4.251 1.00 0.00 O ATOM 1172 CB LEU A 85 8.336 -1.451 -1.217 1.00 0.00 C ATOM 1173 CG LEU A 85 6.957 -1.432 -0.573 1.00 0.00 C ATOM 1174 CD1 LEU A 85 6.883 -2.527 0.493 1.00 0.00 C ATOM 1175 CD2 LEU A 85 6.718 -0.070 0.078 1.00 0.00 C ATOM 0 H LEU A 85 9.709 -3.010 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 85 7.129 -1.484 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.905 -2.308 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.893 -0.558 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 85 6.196 -1.609 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.897 -2.517 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.056 -3.498 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.643 -2.347 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.731 -0.056 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.477 0.107 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.776 0.711 -0.680 1.00 0.00 H new ATOM 1187 N GLY A 86 8.618 0.857 -2.964 1.00 0.00 N ATOM 1188 CA GLY A 86 9.302 2.038 -3.555 1.00 0.00 C ATOM 1189 C GLY A 86 10.774 2.049 -3.136 1.00 0.00 C ATOM 1190 O GLY A 86 11.535 2.899 -3.551 1.00 0.00 O ATOM 0 H GLY A 86 7.931 1.068 -2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.224 2.008 -4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.814 2.955 -3.225 1.00 0.00 H new ATOM 1194 N GLY A 87 11.188 1.119 -2.313 1.00 0.00 N ATOM 1195 CA GLY A 87 12.626 1.111 -1.882 1.00 0.00 C ATOM 1196 C GLY A 87 13.057 -0.298 -1.459 1.00 0.00 C ATOM 1197 O GLY A 87 13.957 -0.455 -0.658 1.00 0.00 O ATOM 0 H GLY A 87 10.607 0.376 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.258 1.460 -2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.766 1.804 -1.052 1.00 0.00 H new ATOM 1201 N THR A 88 12.453 -1.329 -1.996 1.00 0.00 N ATOM 1202 CA THR A 88 12.877 -2.698 -1.619 1.00 0.00 C ATOM 1203 C THR A 88 12.227 -3.679 -2.592 1.00 0.00 C ATOM 1204 O THR A 88 11.157 -3.439 -3.112 1.00 0.00 O ATOM 1205 CB THR A 88 12.429 -3.039 -0.172 1.00 0.00 C ATOM 1206 OG1 THR A 88 13.415 -3.859 0.435 1.00 0.00 O ATOM 1207 CG2 THR A 88 11.117 -3.835 -0.185 1.00 0.00 C ATOM 0 H THR A 88 11.692 -1.276 -2.673 1.00 0.00 H new ATOM 0 HA THR A 88 13.964 -2.765 -1.663 1.00 0.00 H new ATOM 0 HB THR A 88 12.292 -2.105 0.374 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.207 -4.801 0.264 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.820 -4.064 0.839 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.337 -3.244 -0.665 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.260 -4.764 -0.738 1.00 0.00 H new ATOM 1215 N ALA A 89 12.839 -4.796 -2.794 1.00 0.00 N ATOM 1216 CA ALA A 89 12.242 -5.821 -3.682 1.00 0.00 C ATOM 1217 C ALA A 89 12.257 -7.164 -2.954 1.00 0.00 C ATOM 1218 O ALA A 89 13.269 -7.591 -2.438 1.00 0.00 O ATOM 1219 CB ALA A 89 13.030 -5.918 -4.971 1.00 0.00 C ATOM 0 H ALA A 89 13.736 -5.050 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 89 11.217 -5.545 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.582 -6.674 -5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.016 -4.954 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.060 -6.196 -4.748 1.00 0.00 H new ATOM 1225 N MET A 90 11.134 -7.818 -2.892 1.00 0.00 N ATOM 1226 CA MET A 90 11.054 -9.121 -2.180 1.00 0.00 C ATOM 1227 C MET A 90 11.750 -10.211 -2.977 1.00 0.00 C ATOM 1228 O MET A 90 12.671 -10.843 -2.504 1.00 0.00 O ATOM 1229 CB MET A 90 9.593 -9.518 -2.038 1.00 0.00 C ATOM 1230 CG MET A 90 8.850 -8.488 -1.191 1.00 0.00 C ATOM 1231 SD MET A 90 7.251 -8.088 -1.949 1.00 0.00 S ATOM 1232 CE MET A 90 6.921 -9.675 -2.772 1.00 0.00 C ATOM 0 H MET A 90 10.258 -7.502 -3.309 1.00 0.00 H new ATOM 0 HA MET A 90 11.534 -9.012 -1.207 1.00 0.00 H new ATOM 0 HB2 MET A 90 9.131 -9.592 -3.022 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.519 -10.502 -1.576 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.696 -8.877 -0.185 1.00 0.00 H new ATOM 0 HG3 MET A 90 9.451 -7.584 -1.095 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.847 -9.798 -2.908 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.414 -9.690 -3.744 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.305 -10.490 -2.158 1.00 0.00 H new ATOM 1242 N GLN A 91 11.269 -10.480 -4.162 1.00 0.00 N ATOM 1243 CA GLN A 91 11.874 -11.591 -4.968 1.00 0.00 C ATOM 1244 C GLN A 91 13.398 -11.703 -4.772 1.00 0.00 C ATOM 1245 O GLN A 91 13.943 -12.785 -4.872 1.00 0.00 O ATOM 1246 CB GLN A 91 11.507 -11.429 -6.456 1.00 0.00 C ATOM 1247 CG GLN A 91 10.081 -11.948 -6.703 1.00 0.00 C ATOM 1248 CD GLN A 91 9.106 -11.331 -5.697 1.00 0.00 C ATOM 1249 OE1 GLN A 91 9.193 -10.159 -5.389 1.00 0.00 O ATOM 1250 NE2 GLN A 91 8.172 -12.075 -5.168 1.00 0.00 N ATOM 0 H GLN A 91 10.493 -9.988 -4.606 1.00 0.00 H new ATOM 0 HA GLN A 91 11.453 -12.528 -4.603 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.577 -10.380 -6.745 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.216 -11.978 -7.076 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.769 -11.703 -7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.063 -13.034 -6.617 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.097 -13.059 -5.425 1.00 0.00 H new ATOM 0 HE22 GLN A 91 7.517 -11.672 -4.498 1.00 0.00 H new ATOM 1259 N GLY A 92 14.096 -10.651 -4.448 1.00 0.00 N ATOM 1260 CA GLY A 92 15.549 -10.798 -4.206 1.00 0.00 C ATOM 1261 C GLY A 92 15.788 -10.460 -2.740 1.00 0.00 C ATOM 1262 O GLY A 92 16.651 -9.673 -2.406 1.00 0.00 O ATOM 0 H GLY A 92 13.724 -9.707 -4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.877 -11.814 -4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 92 16.118 -10.132 -4.854 1.00 0.00 H new ATOM 1266 N LEU A 93 14.999 -11.020 -1.853 1.00 0.00 N ATOM 1267 CA LEU A 93 15.167 -10.685 -0.424 1.00 0.00 C ATOM 1268 C LEU A 93 14.363 -11.661 0.440 1.00 0.00 C ATOM 1269 O LEU A 93 13.944 -12.710 -0.006 1.00 0.00 O ATOM 1270 CB LEU A 93 14.660 -9.255 -0.211 1.00 0.00 C ATOM 1271 CG LEU A 93 15.806 -8.378 0.297 1.00 0.00 C ATOM 1272 CD1 LEU A 93 15.680 -6.977 -0.302 1.00 0.00 C ATOM 1273 CD2 LEU A 93 15.739 -8.290 1.822 1.00 0.00 C ATOM 0 H LEU A 93 14.256 -11.687 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 93 16.216 -10.760 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.268 -8.854 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.840 -9.252 0.507 1.00 0.00 H new ATOM 0 HG LEU A 93 16.759 -8.814 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 93 16.496 -6.352 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.726 -7.041 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.728 -6.538 -0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.555 -7.666 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 93 14.786 -7.853 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.828 -9.289 2.248 1.00 0.00 H new ATOM 1285 N THR A 94 14.150 -11.314 1.676 1.00 0.00 N ATOM 1286 CA THR A 94 13.378 -12.204 2.594 1.00 0.00 C ATOM 1287 C THR A 94 12.083 -11.500 3.005 1.00 0.00 C ATOM 1288 O THR A 94 11.663 -10.549 2.377 1.00 0.00 O ATOM 1289 CB THR A 94 14.213 -12.500 3.844 1.00 0.00 C ATOM 1290 OG1 THR A 94 15.564 -12.133 3.605 1.00 0.00 O ATOM 1291 CG2 THR A 94 14.136 -13.993 4.169 1.00 0.00 C ATOM 0 H THR A 94 14.479 -10.445 2.097 1.00 0.00 H new ATOM 0 HA THR A 94 13.144 -13.139 2.085 1.00 0.00 H new ATOM 0 HB THR A 94 13.824 -11.928 4.686 1.00 0.00 H new ATOM 0 HG1 THR A 94 16.127 -12.463 4.336 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.730 -14.203 5.058 1.00 0.00 H new ATOM 0 HG22 THR A 94 13.098 -14.273 4.352 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.524 -14.569 3.329 1.00 0.00 H new ATOM 1299 N ARG A 95 11.440 -11.952 4.050 1.00 0.00 N ATOM 1300 CA ARG A 95 10.167 -11.276 4.462 1.00 0.00 C ATOM 1301 C ARG A 95 10.476 -10.028 5.299 1.00 0.00 C ATOM 1302 O ARG A 95 10.188 -8.922 4.889 1.00 0.00 O ATOM 1303 CB ARG A 95 9.239 -12.221 5.257 1.00 0.00 C ATOM 1304 CG ARG A 95 7.807 -11.686 5.185 1.00 0.00 C ATOM 1305 CD ARG A 95 7.598 -10.625 6.273 1.00 0.00 C ATOM 1306 NE ARG A 95 6.690 -9.564 5.776 1.00 0.00 N ATOM 1307 CZ ARG A 95 6.825 -9.116 4.567 1.00 0.00 C ATOM 1308 NH1 ARG A 95 6.205 -9.712 3.586 1.00 0.00 N ATOM 1309 NH2 ARG A 95 7.598 -8.091 4.334 1.00 0.00 N ATOM 0 H ARG A 95 11.730 -12.742 4.627 1.00 0.00 H new ATOM 0 HA ARG A 95 9.645 -10.987 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.286 -13.229 4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.566 -12.285 6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.618 -11.255 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.096 -12.502 5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.178 -11.086 7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.556 -10.191 6.559 1.00 0.00 H new ATOM 0 HE ARG A 95 5.962 -9.188 6.383 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.618 -10.525 3.773 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.307 -9.365 2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.096 -7.642 5.103 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.704 -7.738 3.383 1.00 0.00 H new ATOM 1323 N PHE A 96 11.046 -10.178 6.466 1.00 0.00 N ATOM 1324 CA PHE A 96 11.339 -8.978 7.293 1.00 0.00 C ATOM 1325 C PHE A 96 12.343 -8.095 6.561 1.00 0.00 C ATOM 1326 O PHE A 96 12.189 -6.891 6.491 1.00 0.00 O ATOM 1327 CB PHE A 96 11.923 -9.411 8.638 1.00 0.00 C ATOM 1328 CG PHE A 96 10.801 -9.728 9.597 1.00 0.00 C ATOM 1329 CD1 PHE A 96 10.197 -8.699 10.328 1.00 0.00 C ATOM 1330 CD2 PHE A 96 10.368 -11.049 9.756 1.00 0.00 C ATOM 1331 CE1 PHE A 96 9.159 -8.990 11.220 1.00 0.00 C ATOM 1332 CE2 PHE A 96 9.328 -11.341 10.648 1.00 0.00 C ATOM 1333 CZ PHE A 96 8.723 -10.312 11.380 1.00 0.00 C ATOM 0 H PHE A 96 11.318 -11.071 6.876 1.00 0.00 H new ATOM 0 HA PHE A 96 10.418 -8.420 7.464 1.00 0.00 H new ATOM 0 HB2 PHE A 96 12.560 -10.286 8.505 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.551 -8.619 9.046 1.00 0.00 H new ATOM 0 HD1 PHE A 96 10.532 -7.680 10.204 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.835 -11.843 9.192 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.694 -8.196 11.785 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.993 -12.360 10.771 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.921 -10.537 12.067 1.00 0.00 H new ATOM 1343 N GLU A 97 13.367 -8.678 6.010 1.00 0.00 N ATOM 1344 CA GLU A 97 14.368 -7.864 5.282 1.00 0.00 C ATOM 1345 C GLU A 97 13.650 -6.961 4.281 1.00 0.00 C ATOM 1346 O GLU A 97 13.945 -5.793 4.171 1.00 0.00 O ATOM 1347 CB GLU A 97 15.341 -8.785 4.543 1.00 0.00 C ATOM 1348 CG GLU A 97 15.911 -9.820 5.516 1.00 0.00 C ATOM 1349 CD GLU A 97 16.490 -9.108 6.741 1.00 0.00 C ATOM 1350 OE1 GLU A 97 17.207 -8.138 6.553 1.00 0.00 O ATOM 1351 OE2 GLU A 97 16.208 -9.544 7.844 1.00 0.00 O ATOM 0 H GLU A 97 13.552 -9.681 6.033 1.00 0.00 H new ATOM 0 HA GLU A 97 14.926 -7.251 5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.829 -9.287 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 97 16.149 -8.200 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.129 -10.515 5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.686 -10.408 5.024 1.00 0.00 H new ATOM 1358 N ALA A 98 12.712 -7.491 3.545 1.00 0.00 N ATOM 1359 CA ALA A 98 11.995 -6.651 2.543 1.00 0.00 C ATOM 1360 C ALA A 98 11.271 -5.487 3.219 1.00 0.00 C ATOM 1361 O ALA A 98 11.626 -4.340 3.042 1.00 0.00 O ATOM 1362 CB ALA A 98 10.984 -7.513 1.786 1.00 0.00 C ATOM 0 H ALA A 98 12.412 -8.465 3.593 1.00 0.00 H new ATOM 0 HA ALA A 98 12.728 -6.241 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.459 -6.900 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.506 -8.322 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.265 -7.933 2.489 1.00 0.00 H new ATOM 1368 N TRP A 99 10.251 -5.766 3.970 1.00 0.00 N ATOM 1369 CA TRP A 99 9.489 -4.657 4.633 1.00 0.00 C ATOM 1370 C TRP A 99 10.423 -3.789 5.498 1.00 0.00 C ATOM 1371 O TRP A 99 10.046 -2.720 5.934 1.00 0.00 O ATOM 1372 CB TRP A 99 8.378 -5.259 5.502 1.00 0.00 C ATOM 1373 CG TRP A 99 7.660 -4.177 6.236 1.00 0.00 C ATOM 1374 CD1 TRP A 99 7.396 -4.183 7.564 1.00 0.00 C ATOM 1375 CD2 TRP A 99 7.099 -2.943 5.711 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.707 -3.029 7.886 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.502 -2.232 6.777 1.00 0.00 C ATOM 1378 CE3 TRP A 99 7.053 -2.375 4.427 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.877 -1.004 6.575 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.426 -1.138 4.221 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.839 -0.455 5.294 1.00 0.00 C ATOM 0 H TRP A 99 9.905 -6.707 4.159 1.00 0.00 H new ATOM 0 HA TRP A 99 9.052 -4.020 3.864 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.677 -5.813 4.878 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.804 -5.969 6.211 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.678 -4.962 8.258 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.389 -2.795 8.827 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.503 -2.894 3.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.425 -0.481 7.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.395 -0.710 3.230 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.357 0.497 5.129 1.00 0.00 H new ATOM 1392 N ASN A 100 11.629 -4.228 5.759 1.00 0.00 N ATOM 1393 CA ASN A 100 12.548 -3.406 6.601 1.00 0.00 C ATOM 1394 C ASN A 100 13.232 -2.307 5.761 1.00 0.00 C ATOM 1395 O ASN A 100 13.283 -1.164 6.170 1.00 0.00 O ATOM 1396 CB ASN A 100 13.605 -4.313 7.239 1.00 0.00 C ATOM 1397 CG ASN A 100 12.996 -5.027 8.448 1.00 0.00 C ATOM 1398 OD1 ASN A 100 12.076 -4.528 9.063 1.00 0.00 O ATOM 1399 ND2 ASN A 100 13.473 -6.185 8.815 1.00 0.00 N ATOM 0 H ASN A 100 12.014 -5.113 5.428 1.00 0.00 H new ATOM 0 HA ASN A 100 11.963 -2.920 7.382 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.961 -5.043 6.512 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.468 -3.723 7.547 1.00 0.00 H new ATOM 0 HD21 ASN A 100 13.073 -6.670 9.618 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.246 -6.605 8.299 1.00 0.00 H new ATOM 1406 N ILE A 101 13.766 -2.624 4.603 1.00 0.00 N ATOM 1407 CA ILE A 101 14.439 -1.568 3.787 1.00 0.00 C ATOM 1408 C ILE A 101 13.469 -0.423 3.518 1.00 0.00 C ATOM 1409 O ILE A 101 13.830 0.737 3.556 1.00 0.00 O ATOM 1410 CB ILE A 101 14.867 -2.151 2.442 1.00 0.00 C ATOM 1411 CG1 ILE A 101 16.031 -3.106 2.641 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.268 -1.030 1.488 1.00 0.00 C ATOM 1413 CD1 ILE A 101 15.471 -4.520 2.622 1.00 0.00 C ATOM 0 H ILE A 101 13.764 -3.558 4.194 1.00 0.00 H new ATOM 0 HA ILE A 101 15.307 -1.205 4.337 1.00 0.00 H new ATOM 0 HB ILE A 101 14.029 -2.697 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.772 -2.977 1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.534 -2.906 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.571 -1.457 0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.420 -0.362 1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.099 -0.469 1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 101 16.282 -5.234 2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.744 -4.634 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.986 -4.706 1.664 1.00 0.00 H new ATOM 1425 N ILE A 102 12.243 -0.741 3.227 1.00 0.00 N ATOM 1426 CA ILE A 102 11.253 0.329 2.933 1.00 0.00 C ATOM 1427 C ILE A 102 11.225 1.323 4.090 1.00 0.00 C ATOM 1428 O ILE A 102 11.492 2.494 3.927 1.00 0.00 O ATOM 1429 CB ILE A 102 9.887 -0.316 2.784 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.779 -0.996 1.441 1.00 0.00 C ATOM 1431 CG2 ILE A 102 8.775 0.725 2.931 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.697 -2.479 1.737 1.00 0.00 C ATOM 0 H ILE A 102 11.882 -1.694 3.180 1.00 0.00 H new ATOM 0 HA ILE A 102 11.523 0.855 2.017 1.00 0.00 H new ATOM 0 HB ILE A 102 9.772 -1.059 3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.896 -0.656 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.643 -0.769 0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.805 0.240 2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.839 1.189 3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.888 1.489 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.617 -3.033 0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.595 -2.794 2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.821 -2.679 2.354 1.00 0.00 H new ATOM 1444 N LYS A 103 10.890 0.857 5.255 1.00 0.00 N ATOM 1445 CA LYS A 103 10.829 1.772 6.436 1.00 0.00 C ATOM 1446 C LYS A 103 12.044 2.700 6.439 1.00 0.00 C ATOM 1447 O LYS A 103 11.964 3.848 6.828 1.00 0.00 O ATOM 1448 CB LYS A 103 10.827 0.947 7.725 1.00 0.00 C ATOM 1449 CG LYS A 103 9.562 0.091 7.785 1.00 0.00 C ATOM 1450 CD LYS A 103 8.533 0.757 8.700 1.00 0.00 C ATOM 1451 CE LYS A 103 8.379 -0.068 9.979 1.00 0.00 C ATOM 1452 NZ LYS A 103 9.238 0.515 11.049 1.00 0.00 N ATOM 0 H LYS A 103 10.655 -0.117 5.447 1.00 0.00 H new ATOM 0 HA LYS A 103 9.917 2.367 6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 103 11.711 0.310 7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.873 1.607 8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.147 -0.033 6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.802 -0.905 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.850 1.771 8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.574 0.837 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.337 -0.075 10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.663 -1.104 9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.135 -0.044 11.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.232 0.500 10.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.947 1.497 11.231 1.00 0.00 H new ATOM 1466 N ALA A 104 13.171 2.202 6.024 1.00 0.00 N ATOM 1467 CA ALA A 104 14.410 3.037 6.018 1.00 0.00 C ATOM 1468 C ALA A 104 14.462 3.930 4.773 1.00 0.00 C ATOM 1469 O ALA A 104 15.364 4.730 4.618 1.00 0.00 O ATOM 1470 CB ALA A 104 15.633 2.120 6.025 1.00 0.00 C ATOM 0 H ALA A 104 13.293 1.247 5.686 1.00 0.00 H new ATOM 0 HA ALA A 104 14.405 3.672 6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.540 2.724 6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.616 1.497 6.919 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.616 1.484 5.140 1.00 0.00 H new ATOM 1476 N LEU A 105 13.520 3.803 3.882 1.00 0.00 N ATOM 1477 CA LEU A 105 13.545 4.651 2.654 1.00 0.00 C ATOM 1478 C LEU A 105 13.278 6.123 3.026 1.00 0.00 C ATOM 1479 O LEU A 105 13.008 6.419 4.173 1.00 0.00 O ATOM 1480 CB LEU A 105 12.503 4.093 1.655 1.00 0.00 C ATOM 1481 CG LEU A 105 11.033 4.459 1.997 1.00 0.00 C ATOM 1482 CD1 LEU A 105 10.864 5.007 3.421 1.00 0.00 C ATOM 1483 CD2 LEU A 105 10.526 5.499 0.995 1.00 0.00 C ATOM 0 H LEU A 105 12.737 3.153 3.948 1.00 0.00 H new ATOM 0 HA LEU A 105 14.525 4.621 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.736 4.467 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.596 3.008 1.619 1.00 0.00 H new ATOM 0 HG LEU A 105 10.452 3.539 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.815 5.244 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.193 4.257 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.464 5.910 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.494 5.759 1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 105 11.148 6.393 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.575 5.087 -0.013 1.00 0.00 H new ATOM 1495 N PRO A 106 13.358 7.002 2.055 1.00 0.00 N ATOM 1496 CA PRO A 106 13.127 8.444 2.279 1.00 0.00 C ATOM 1497 C PRO A 106 11.628 8.768 2.314 1.00 0.00 C ATOM 1498 O PRO A 106 10.823 8.118 1.681 1.00 0.00 O ATOM 1499 CB PRO A 106 13.802 9.103 1.074 1.00 0.00 C ATOM 1500 CG PRO A 106 13.880 8.024 -0.033 1.00 0.00 C ATOM 1501 CD PRO A 106 13.710 6.660 0.660 1.00 0.00 C ATOM 0 HA PRO A 106 13.523 8.792 3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.230 9.967 0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.797 9.462 1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 106 13.100 8.178 -0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 106 14.835 8.075 -0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 106 12.928 6.067 0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 106 14.627 6.073 0.613 1.00 0.00 H new ATOM 1509 N ASP A 107 11.250 9.780 3.049 1.00 0.00 N ATOM 1510 CA ASP A 107 9.810 10.154 3.124 1.00 0.00 C ATOM 1511 C ASP A 107 9.390 10.799 1.803 1.00 0.00 C ATOM 1512 O ASP A 107 9.408 12.004 1.658 1.00 0.00 O ATOM 1513 CB ASP A 107 9.598 11.153 4.265 1.00 0.00 C ATOM 1514 CG ASP A 107 10.106 10.551 5.575 1.00 0.00 C ATOM 1515 OD1 ASP A 107 9.663 9.466 5.916 1.00 0.00 O ATOM 1516 OD2 ASP A 107 10.929 11.185 6.215 1.00 0.00 O ATOM 0 H ASP A 107 11.878 10.364 3.601 1.00 0.00 H new ATOM 0 HA ASP A 107 9.210 9.262 3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.126 12.082 4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.540 11.401 4.353 1.00 0.00 H new ATOM 1521 N GLY A 108 9.019 10.006 0.837 1.00 0.00 N ATOM 1522 CA GLY A 108 8.605 10.585 -0.478 1.00 0.00 C ATOM 1523 C GLY A 108 7.650 9.626 -1.198 1.00 0.00 C ATOM 1524 O GLY A 108 6.880 8.928 -0.567 1.00 0.00 O ATOM 0 H GLY A 108 8.983 8.988 0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.118 11.548 -0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.484 10.768 -1.096 1.00 0.00 H new ATOM 1528 N PRO A 109 7.730 9.628 -2.507 1.00 0.00 N ATOM 1529 CA PRO A 109 6.886 8.775 -3.365 1.00 0.00 C ATOM 1530 C PRO A 109 7.386 7.330 -3.361 1.00 0.00 C ATOM 1531 O PRO A 109 8.284 6.969 -4.095 1.00 0.00 O ATOM 1532 CB PRO A 109 7.037 9.401 -4.755 1.00 0.00 C ATOM 1533 CG PRO A 109 8.360 10.199 -4.734 1.00 0.00 C ATOM 1534 CD PRO A 109 8.677 10.484 -3.254 1.00 0.00 C ATOM 0 HA PRO A 109 5.850 8.732 -3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.060 8.632 -5.527 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.194 10.054 -4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.164 9.629 -5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.261 11.128 -5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.711 10.237 -3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.537 11.538 -3.013 1.00 0.00 H new ATOM 1542 N VAL A 110 6.786 6.493 -2.559 1.00 0.00 N ATOM 1543 CA VAL A 110 7.199 5.070 -2.529 1.00 0.00 C ATOM 1544 C VAL A 110 6.389 4.349 -3.592 1.00 0.00 C ATOM 1545 O VAL A 110 5.182 4.274 -3.519 1.00 0.00 O ATOM 1546 CB VAL A 110 6.912 4.474 -1.150 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.644 5.081 -0.575 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.724 2.959 -1.245 1.00 0.00 C ATOM 0 H VAL A 110 6.027 6.738 -1.924 1.00 0.00 H new ATOM 0 HA VAL A 110 8.267 4.968 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 110 7.762 4.696 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.447 4.651 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.768 6.160 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.806 4.869 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.521 2.555 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.886 2.737 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.631 2.504 -1.643 1.00 0.00 H new ATOM 1558 N THR A 111 7.041 3.851 -4.592 1.00 0.00 N ATOM 1559 CA THR A 111 6.302 3.175 -5.689 1.00 0.00 C ATOM 1560 C THR A 111 6.129 1.687 -5.391 1.00 0.00 C ATOM 1561 O THR A 111 7.069 0.984 -5.077 1.00 0.00 O ATOM 1562 CB THR A 111 7.071 3.344 -7.002 1.00 0.00 C ATOM 1563 OG1 THR A 111 7.719 4.608 -7.010 1.00 0.00 O ATOM 1564 CG2 THR A 111 6.104 3.258 -8.184 1.00 0.00 C ATOM 0 H THR A 111 8.055 3.880 -4.702 1.00 0.00 H new ATOM 0 HA THR A 111 5.315 3.630 -5.774 1.00 0.00 H new ATOM 0 HB THR A 111 7.814 2.551 -7.089 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.213 4.717 -7.849 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.657 3.379 -9.116 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.609 2.287 -8.179 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.356 4.047 -8.101 1.00 0.00 H new ATOM 1572 N ILE A 112 4.924 1.208 -5.499 1.00 0.00 N ATOM 1573 CA ILE A 112 4.644 -0.223 -5.244 1.00 0.00 C ATOM 1574 C ILE A 112 4.193 -0.880 -6.547 1.00 0.00 C ATOM 1575 O ILE A 112 3.681 -0.226 -7.434 1.00 0.00 O ATOM 1576 CB ILE A 112 3.523 -0.340 -4.215 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.603 0.878 -4.314 1.00 0.00 C ATOM 1578 CG2 ILE A 112 4.116 -0.423 -2.808 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.392 0.673 -3.410 1.00 0.00 C ATOM 0 H ILE A 112 4.108 1.762 -5.759 1.00 0.00 H new ATOM 0 HA ILE A 112 5.542 -0.714 -4.869 1.00 0.00 H new ATOM 0 HB ILE A 112 2.948 -1.244 -4.415 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.141 1.779 -4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.281 1.021 -5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.311 -0.506 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.762 -1.298 -2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.698 0.476 -2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.735 1.540 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.850 -0.219 -3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.724 0.551 -2.379 1.00 0.00 H new ATOM 1591 N VAL A 113 4.358 -2.167 -6.671 1.00 0.00 N ATOM 1592 CA VAL A 113 3.913 -2.843 -7.916 1.00 0.00 C ATOM 1593 C VAL A 113 3.071 -4.048 -7.534 1.00 0.00 C ATOM 1594 O VAL A 113 3.578 -5.113 -7.245 1.00 0.00 O ATOM 1595 CB VAL A 113 5.113 -3.309 -8.728 1.00 0.00 C ATOM 1596 CG1 VAL A 113 4.778 -3.241 -10.219 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.319 -2.414 -8.435 1.00 0.00 C ATOM 0 H VAL A 113 4.779 -2.775 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 113 3.334 -2.144 -8.520 1.00 0.00 H new ATOM 0 HB VAL A 113 5.354 -4.336 -8.454 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.637 -3.575 -10.801 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.925 -3.886 -10.430 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.533 -2.214 -10.490 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.174 -2.753 -9.019 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.082 -1.384 -8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.561 -2.466 -7.374 1.00 0.00 H new ATOM 1607 N ILE A 114 1.789 -3.881 -7.525 1.00 0.00 N ATOM 1608 CA ILE A 114 0.896 -5.008 -7.155 1.00 0.00 C ATOM 1609 C ILE A 114 0.473 -5.749 -8.420 1.00 0.00 C ATOM 1610 O ILE A 114 -0.050 -5.169 -9.349 1.00 0.00 O ATOM 1611 CB ILE A 114 -0.338 -4.471 -6.421 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -1.303 -3.829 -7.419 1.00 0.00 C ATOM 1613 CG2 ILE A 114 0.097 -3.422 -5.395 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -2.250 -4.894 -7.971 1.00 0.00 C ATOM 0 H ILE A 114 1.314 -3.009 -7.759 1.00 0.00 H new ATOM 0 HA ILE A 114 1.425 -5.695 -6.495 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.839 -5.297 -5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.873 -3.038 -6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.746 -3.366 -8.233 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.779 -3.039 -4.872 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.778 -3.877 -4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.602 -2.602 -5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.938 -4.436 -8.682 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.672 -5.670 -8.473 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.817 -5.337 -7.152 1.00 0.00 H new ATOM 1626 N ARG A 115 0.692 -7.030 -8.456 1.00 0.00 N ATOM 1627 CA ARG A 115 0.292 -7.819 -9.652 1.00 0.00 C ATOM 1628 C ARG A 115 -0.572 -8.983 -9.174 1.00 0.00 C ATOM 1629 O ARG A 115 -0.085 -9.931 -8.591 1.00 0.00 O ATOM 1630 CB ARG A 115 1.539 -8.350 -10.379 1.00 0.00 C ATOM 1631 CG ARG A 115 1.146 -9.494 -11.317 1.00 0.00 C ATOM 1632 CD ARG A 115 2.000 -9.427 -12.584 1.00 0.00 C ATOM 1633 NE ARG A 115 2.904 -10.609 -12.637 1.00 0.00 N ATOM 1634 CZ ARG A 115 4.107 -10.529 -12.137 1.00 0.00 C ATOM 1635 NH1 ARG A 115 4.888 -9.544 -12.482 1.00 0.00 N ATOM 1636 NH2 ARG A 115 4.525 -11.432 -11.291 1.00 0.00 N ATOM 0 H ARG A 115 1.131 -7.567 -7.708 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.264 -7.194 -10.350 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.009 -7.547 -10.947 1.00 0.00 H new ATOM 0 HB3 ARG A 115 2.273 -8.699 -9.653 1.00 0.00 H new ATOM 0 HG2 ARG A 115 1.289 -10.453 -10.819 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.089 -9.422 -11.573 1.00 0.00 H new ATOM 0 HD2 ARG A 115 1.360 -9.406 -13.466 1.00 0.00 H new ATOM 0 HD3 ARG A 115 2.585 -8.508 -12.593 1.00 0.00 H new ATOM 0 HE ARG A 115 2.584 -11.479 -13.063 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.558 -8.839 -13.141 1.00 0.00 H new ATOM 0 HH12 ARG A 115 5.829 -9.479 -12.093 1.00 0.00 H new ATOM 0 HH21 ARG A 115 3.911 -12.200 -11.021 1.00 0.00 H new ATOM 0 HH22 ARG A 115 5.465 -11.369 -10.901 1.00 0.00 H new ATOM 1650 N ARG A 116 -1.852 -8.912 -9.398 1.00 0.00 N ATOM 1651 CA ARG A 116 -2.743 -10.010 -8.935 1.00 0.00 C ATOM 1652 C ARG A 116 -2.843 -11.077 -10.029 1.00 0.00 C ATOM 1653 O ARG A 116 -3.704 -11.022 -10.884 1.00 0.00 O ATOM 1654 CB ARG A 116 -4.136 -9.443 -8.647 1.00 0.00 C ATOM 1655 CG ARG A 116 -4.780 -10.219 -7.497 1.00 0.00 C ATOM 1656 CD ARG A 116 -6.252 -10.482 -7.820 1.00 0.00 C ATOM 1657 NE ARG A 116 -6.766 -11.571 -6.942 1.00 0.00 N ATOM 1658 CZ ARG A 116 -6.379 -11.643 -5.697 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -5.281 -12.281 -5.392 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -7.084 -11.074 -4.760 1.00 0.00 N ATOM 0 H ARG A 116 -2.319 -8.144 -9.880 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.335 -10.456 -8.028 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.063 -8.386 -8.390 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.759 -9.512 -9.539 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.256 -11.162 -7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.696 -9.652 -6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.836 -9.574 -7.671 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.361 -10.763 -8.868 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.420 -12.260 -7.314 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -4.727 -12.722 -6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -4.978 -12.338 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -7.939 -10.572 -4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -6.781 -11.131 -3.788 1.00 0.00 H new