USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 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 60 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 62 ASN : amide:sc= -3.26! C(o=-3.3!,f=-5.9!) USER MOD Single : A 29 THR OG1 : rot -29:sc= 0.299 USER MOD Single : A 31 CYS SG : rot 180:sc= -1.31! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00332 USER MOD Single : A 37 LYS NZ :NH3+ -129:sc= -1.06 (180deg=-5.65!) USER MOD Single : A 45 SER OG : rot -100:sc= 1.08 USER MOD Single : A 75 THR OG1 : rot -155:sc= -5.29! USER MOD Single : A 77 GLN : amide:sc= -4.27! C(o=-4.3!,f=-4.9!) USER MOD Single : A 84 GLN : amide:sc= -5.02! C(o=-5!,f=-12!) USER MOD Single : A 88 THR OG1 : rot -155:sc= -2.48! USER MOD Single : A 90 MET CE :methyl 176:sc= -8.35! (180deg=-8.66!) USER MOD Single : A 91 GLN : amide:sc= -5.95! C(o=-5.9!,f=-3.7!) USER MOD Single : A 94 THR OG1 : rot -80:sc= -3.66! USER MOD Single : A 100 ASN : amide:sc= 0.472 K(o=0.47,f=-0.22) 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 -3.270 -9.419 -13.413 1.00 0.00 N ATOM 350 CA THR A 29 -3.381 -7.944 -13.586 1.00 0.00 C ATOM 351 C THR A 29 -2.394 -7.244 -12.653 1.00 0.00 C ATOM 352 O THR A 29 -2.196 -7.649 -11.525 1.00 0.00 O ATOM 353 CB THR A 29 -4.807 -7.499 -13.249 1.00 0.00 C ATOM 354 OG1 THR A 29 -5.132 -7.907 -11.928 1.00 0.00 O ATOM 355 CG2 THR A 29 -5.787 -8.133 -14.239 1.00 0.00 C ATOM 0 HA THR A 29 -3.151 -7.680 -14.618 1.00 0.00 H new ATOM 0 HB THR A 29 -4.875 -6.413 -13.318 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.628 -8.716 -11.702 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.802 -7.816 -13.999 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.538 -7.816 -15.252 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.720 -9.219 -14.172 1.00 0.00 H new ATOM 363 N VAL A 30 -1.769 -6.195 -13.113 1.00 0.00 N ATOM 364 CA VAL A 30 -0.797 -5.476 -12.247 1.00 0.00 C ATOM 365 C VAL A 30 -1.350 -4.102 -11.881 1.00 0.00 C ATOM 366 O VAL A 30 -2.176 -3.539 -12.571 1.00 0.00 O ATOM 367 CB VAL A 30 0.541 -5.320 -12.983 1.00 0.00 C ATOM 368 CG1 VAL A 30 1.351 -4.170 -12.370 1.00 0.00 C ATOM 369 CG2 VAL A 30 1.339 -6.618 -12.855 1.00 0.00 C ATOM 0 H VAL A 30 -1.890 -5.807 -14.048 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.637 -6.051 -11.335 1.00 0.00 H new ATOM 0 HB VAL A 30 0.347 -5.101 -14.033 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.298 -4.069 -12.900 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.786 -3.241 -12.455 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.545 -4.382 -11.318 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.291 -6.513 -13.376 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.523 -6.829 -11.802 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.773 -7.438 -13.296 1.00 0.00 H new ATOM 379 N CYS A 31 -0.881 -3.563 -10.796 1.00 0.00 N ATOM 380 CA CYS A 31 -1.348 -2.218 -10.357 1.00 0.00 C ATOM 381 C CYS A 31 -0.172 -1.459 -9.743 1.00 0.00 C ATOM 382 O CYS A 31 0.176 -1.653 -8.595 1.00 0.00 O ATOM 383 CB CYS A 31 -2.459 -2.371 -9.317 1.00 0.00 C ATOM 384 SG CYS A 31 -3.603 -3.671 -9.842 1.00 0.00 S ATOM 0 H CYS A 31 -0.188 -3.998 -10.187 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.736 -1.667 -11.214 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.031 -2.619 -8.346 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.993 -1.428 -9.198 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.546 -3.802 -8.957 1.00 0.00 H new ATOM 390 N THR A 32 0.452 -0.604 -10.503 1.00 0.00 N ATOM 391 CA THR A 32 1.616 0.161 -9.974 1.00 0.00 C ATOM 392 C THR A 32 1.126 1.446 -9.295 1.00 0.00 C ATOM 393 O THR A 32 0.402 2.227 -9.881 1.00 0.00 O ATOM 394 CB THR A 32 2.536 0.522 -11.140 1.00 0.00 C ATOM 395 OG1 THR A 32 2.524 -0.531 -12.092 1.00 0.00 O ATOM 396 CG2 THR A 32 3.959 0.738 -10.629 1.00 0.00 C ATOM 0 H THR A 32 0.205 -0.401 -11.472 1.00 0.00 H new ATOM 0 HA THR A 32 2.155 -0.444 -9.245 1.00 0.00 H new ATOM 0 HB THR A 32 2.183 1.441 -11.609 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.112 -0.301 -12.842 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.610 0.995 -11.464 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.965 1.549 -9.901 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.319 -0.176 -10.156 1.00 0.00 H new ATOM 404 N VAL A 33 1.499 1.670 -8.060 1.00 0.00 N ATOM 405 CA VAL A 33 1.031 2.903 -7.358 1.00 0.00 C ATOM 406 C VAL A 33 2.115 3.449 -6.420 1.00 0.00 C ATOM 407 O VAL A 33 3.029 2.751 -6.035 1.00 0.00 O ATOM 408 CB VAL A 33 -0.208 2.574 -6.517 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.426 3.250 -7.137 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.446 1.061 -6.462 1.00 0.00 C ATOM 0 H VAL A 33 2.103 1.058 -7.511 1.00 0.00 H new ATOM 0 HA VAL A 33 0.799 3.653 -8.114 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.047 2.938 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.311 3.020 -6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.273 4.329 -7.157 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.566 2.885 -8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.330 0.853 -5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.597 0.679 -7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.420 0.572 -6.015 1.00 0.00 H new ATOM 420 N THR A 34 1.999 4.695 -6.024 1.00 0.00 N ATOM 421 CA THR A 34 2.989 5.281 -5.081 1.00 0.00 C ATOM 422 C THR A 34 2.288 5.615 -3.765 1.00 0.00 C ATOM 423 O THR A 34 1.230 6.213 -3.753 1.00 0.00 O ATOM 424 CB THR A 34 3.585 6.564 -5.658 1.00 0.00 C ATOM 425 OG1 THR A 34 2.664 7.161 -6.557 1.00 0.00 O ATOM 426 CG2 THR A 34 4.909 6.267 -6.360 1.00 0.00 C ATOM 0 H THR A 34 1.256 5.329 -6.318 1.00 0.00 H new ATOM 0 HA THR A 34 3.788 4.558 -4.917 1.00 0.00 H new ATOM 0 HB THR A 34 3.781 7.262 -4.844 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.050 7.984 -6.923 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.321 7.191 -6.766 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.612 5.839 -5.645 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.740 5.558 -7.171 1.00 0.00 H new ATOM 434 N LEU A 35 2.856 5.230 -2.655 1.00 0.00 N ATOM 435 CA LEU A 35 2.188 5.535 -1.349 1.00 0.00 C ATOM 436 C LEU A 35 2.936 6.630 -0.589 1.00 0.00 C ATOM 437 O LEU A 35 3.436 6.407 0.494 1.00 0.00 O ATOM 438 CB LEU A 35 2.158 4.292 -0.495 1.00 0.00 C ATOM 439 CG LEU A 35 0.872 3.517 -0.776 1.00 0.00 C ATOM 440 CD1 LEU A 35 0.820 2.278 0.114 1.00 0.00 C ATOM 441 CD2 LEU A 35 -0.333 4.413 -0.480 1.00 0.00 C ATOM 0 H LEU A 35 3.740 4.725 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 35 1.176 5.879 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.026 3.669 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.211 4.560 0.560 1.00 0.00 H new ATOM 0 HG LEU A 35 0.850 3.211 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.097 1.725 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.680 1.643 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.840 2.581 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.253 3.863 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.312 4.717 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.294 5.297 -1.116 1.00 0.00 H new ATOM 453 N GLU A 36 2.986 7.799 -1.157 1.00 0.00 N ATOM 454 CA GLU A 36 3.686 8.976 -0.528 1.00 0.00 C ATOM 455 C GLU A 36 4.017 8.715 0.946 1.00 0.00 C ATOM 456 O GLU A 36 3.169 8.821 1.810 1.00 0.00 O ATOM 457 CB GLU A 36 2.780 10.205 -0.624 1.00 0.00 C ATOM 458 CG GLU A 36 1.371 9.844 -0.150 1.00 0.00 C ATOM 459 CD GLU A 36 0.757 11.040 0.580 1.00 0.00 C ATOM 460 OE1 GLU A 36 0.229 11.912 -0.091 1.00 0.00 O ATOM 461 OE2 GLU A 36 0.823 11.063 1.798 1.00 0.00 O ATOM 0 H GLU A 36 2.560 8.004 -2.061 1.00 0.00 H new ATOM 0 HA GLU A 36 4.621 9.141 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.183 11.014 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.747 10.565 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.750 9.566 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.409 8.980 0.513 1.00 0.00 H new ATOM 468 N LYS A 37 5.247 8.376 1.244 1.00 0.00 N ATOM 469 CA LYS A 37 5.614 8.119 2.668 1.00 0.00 C ATOM 470 C LYS A 37 6.204 9.396 3.272 1.00 0.00 C ATOM 471 O LYS A 37 7.390 9.649 3.179 1.00 0.00 O ATOM 472 CB LYS A 37 6.637 6.972 2.766 1.00 0.00 C ATOM 473 CG LYS A 37 7.307 6.995 4.144 1.00 0.00 C ATOM 474 CD LYS A 37 8.232 5.787 4.284 1.00 0.00 C ATOM 475 CE LYS A 37 9.652 6.265 4.590 1.00 0.00 C ATOM 476 NZ LYS A 37 10.623 5.516 3.745 1.00 0.00 N ATOM 0 H LYS A 37 6.005 8.267 0.570 1.00 0.00 H new ATOM 0 HA LYS A 37 4.720 7.828 3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.141 6.014 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.389 7.074 1.983 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.875 7.917 4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.550 6.979 4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.877 5.134 5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.224 5.201 3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.736 7.335 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.879 6.112 5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.376 5.125 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.132 4.740 3.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.040 6.159 3.042 1.00 0.00 H new ATOM 528 N GLY A 41 4.510 5.415 6.427 1.00 0.00 N ATOM 529 CA GLY A 41 5.304 4.269 5.892 1.00 0.00 C ATOM 530 C GLY A 41 4.390 3.355 5.073 1.00 0.00 C ATOM 531 O GLY A 41 4.192 2.201 5.399 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.120 4.637 5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.755 3.710 6.712 1.00 0.00 H new ATOM 535 N LEU A 42 3.831 3.867 4.009 1.00 0.00 N ATOM 536 CA LEU A 42 2.920 3.049 3.143 1.00 0.00 C ATOM 537 C LEU A 42 1.684 2.577 3.915 1.00 0.00 C ATOM 538 O LEU A 42 0.825 1.922 3.361 1.00 0.00 O ATOM 539 CB LEU A 42 3.641 1.815 2.581 1.00 0.00 C ATOM 540 CG LEU A 42 5.160 1.936 2.721 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.813 0.826 1.900 1.00 0.00 C ATOM 542 CD2 LEU A 42 5.628 3.293 2.194 1.00 0.00 C ATOM 0 H LEU A 42 3.966 4.828 3.696 1.00 0.00 H new ATOM 0 HA LEU A 42 2.611 3.698 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.297 0.923 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.381 1.689 1.530 1.00 0.00 H new ATOM 0 HG LEU A 42 5.439 1.848 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.897 0.898 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.482 -0.144 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.527 0.931 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.710 3.370 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.357 3.388 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.151 4.089 2.765 1.00 0.00 H new ATOM 554 N GLY A 43 1.569 2.884 5.178 1.00 0.00 N ATOM 555 CA GLY A 43 0.378 2.423 5.933 1.00 0.00 C ATOM 556 C GLY A 43 0.111 0.948 5.628 1.00 0.00 C ATOM 557 O GLY A 43 -0.977 0.460 5.842 1.00 0.00 O ATOM 0 H GLY A 43 2.244 3.430 5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.539 2.560 7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.491 3.023 5.662 1.00 0.00 H new ATOM 561 N PHE A 44 1.084 0.218 5.137 1.00 0.00 N ATOM 562 CA PHE A 44 0.832 -1.211 4.851 1.00 0.00 C ATOM 563 C PHE A 44 2.065 -2.040 5.188 1.00 0.00 C ATOM 564 O PHE A 44 3.195 -1.616 5.034 1.00 0.00 O ATOM 565 CB PHE A 44 0.436 -1.409 3.378 1.00 0.00 C ATOM 566 CG PHE A 44 1.649 -1.409 2.466 1.00 0.00 C ATOM 567 CD1 PHE A 44 2.597 -2.445 2.526 1.00 0.00 C ATOM 568 CD2 PHE A 44 1.807 -0.381 1.532 1.00 0.00 C ATOM 569 CE1 PHE A 44 3.696 -2.439 1.661 1.00 0.00 C ATOM 570 CE2 PHE A 44 2.902 -0.382 0.665 1.00 0.00 C ATOM 571 CZ PHE A 44 3.846 -1.407 0.729 1.00 0.00 C ATOM 0 H PHE A 44 2.025 0.552 4.928 1.00 0.00 H new ATOM 0 HA PHE A 44 0.003 -1.548 5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.101 -2.351 3.269 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.247 -0.616 3.075 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.477 -3.246 3.240 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.080 0.416 1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.429 -3.231 1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.018 0.413 -0.057 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.693 -1.404 0.059 1.00 0.00 H new ATOM 581 N SER A 45 1.829 -3.232 5.631 1.00 0.00 N ATOM 582 CA SER A 45 2.937 -4.168 5.985 1.00 0.00 C ATOM 583 C SER A 45 2.930 -5.324 4.981 1.00 0.00 C ATOM 584 O SER A 45 1.893 -5.687 4.453 1.00 0.00 O ATOM 585 CB SER A 45 2.708 -4.718 7.395 1.00 0.00 C ATOM 586 OG SER A 45 3.629 -5.771 7.643 1.00 0.00 O ATOM 0 H SER A 45 0.893 -3.614 5.769 1.00 0.00 H new ATOM 0 HA SER A 45 3.894 -3.647 5.955 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.837 -3.926 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.686 -5.083 7.494 1.00 0.00 H new ATOM 0 HG SER A 45 3.180 -6.634 7.521 1.00 0.00 H new ATOM 592 N LEU A 46 4.070 -5.899 4.698 1.00 0.00 N ATOM 593 CA LEU A 46 4.115 -7.019 3.707 1.00 0.00 C ATOM 594 C LEU A 46 4.226 -8.371 4.423 1.00 0.00 C ATOM 595 O LEU A 46 4.894 -8.492 5.429 1.00 0.00 O ATOM 596 CB LEU A 46 5.336 -6.839 2.799 1.00 0.00 C ATOM 597 CG LEU A 46 4.901 -6.390 1.400 1.00 0.00 C ATOM 598 CD1 LEU A 46 3.733 -5.404 1.499 1.00 0.00 C ATOM 599 CD2 LEU A 46 6.082 -5.705 0.708 1.00 0.00 C ATOM 0 H LEU A 46 4.969 -5.644 5.107 1.00 0.00 H new ATOM 0 HA LEU A 46 3.197 -7.002 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.012 -6.101 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.888 -7.776 2.732 1.00 0.00 H new ATOM 0 HG LEU A 46 4.582 -7.260 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.434 -5.093 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.891 -5.886 1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.042 -4.531 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.782 -5.382 -0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.393 -4.839 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.913 -6.406 0.627 1.00 0.00 H new ATOM 611 N GLU A 47 3.584 -9.396 3.910 1.00 0.00 N ATOM 612 CA GLU A 47 3.680 -10.731 4.578 1.00 0.00 C ATOM 613 C GLU A 47 3.957 -11.831 3.547 1.00 0.00 C ATOM 614 O GLU A 47 3.613 -11.717 2.389 1.00 0.00 O ATOM 615 CB GLU A 47 2.371 -11.042 5.288 1.00 0.00 C ATOM 616 CG GLU A 47 2.426 -10.505 6.720 1.00 0.00 C ATOM 617 CD GLU A 47 2.579 -8.982 6.690 1.00 0.00 C ATOM 618 OE1 GLU A 47 1.995 -8.364 5.816 1.00 0.00 O ATOM 619 OE2 GLU A 47 3.279 -8.460 7.543 1.00 0.00 O ATOM 0 H GLU A 47 3.006 -9.366 3.070 1.00 0.00 H new ATOM 0 HA GLU A 47 4.499 -10.698 5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.537 -10.590 4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.197 -12.118 5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.518 -10.779 7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.262 -10.954 7.256 1.00 0.00 H new ATOM 771 N LEU A 59 5.379 -12.319 -0.927 1.00 0.00 N ATOM 772 CA LEU A 59 5.235 -11.157 -0.009 1.00 0.00 C ATOM 773 C LEU A 59 3.969 -10.391 -0.387 1.00 0.00 C ATOM 774 O LEU A 59 3.900 -9.770 -1.430 1.00 0.00 O ATOM 775 CB LEU A 59 6.441 -10.235 -0.156 1.00 0.00 C ATOM 776 CG LEU A 59 7.421 -10.477 0.990 1.00 0.00 C ATOM 777 CD1 LEU A 59 8.730 -11.036 0.432 1.00 0.00 C ATOM 778 CD2 LEU A 59 7.701 -9.151 1.700 1.00 0.00 C ATOM 0 HA LEU A 59 5.172 -11.506 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.933 -10.415 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.117 -9.194 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 59 6.991 -11.190 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.430 -11.209 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.534 -11.977 -0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.161 -10.322 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.400 -9.318 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.133 -8.444 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.769 -8.746 2.095 1.00 0.00 H new ATOM 790 N THR A 60 2.959 -10.438 0.435 1.00 0.00 N ATOM 791 CA THR A 60 1.703 -9.721 0.088 1.00 0.00 C ATOM 792 C THR A 60 1.285 -8.789 1.245 1.00 0.00 C ATOM 793 O THR A 60 1.592 -9.054 2.390 1.00 0.00 O ATOM 794 CB THR A 60 0.620 -10.760 -0.168 1.00 0.00 C ATOM 795 OG1 THR A 60 0.689 -11.767 0.831 1.00 0.00 O ATOM 796 CG2 THR A 60 0.868 -11.370 -1.544 1.00 0.00 C ATOM 0 H THR A 60 2.949 -10.937 1.324 1.00 0.00 H new ATOM 0 HA THR A 60 1.853 -9.109 -0.801 1.00 0.00 H new ATOM 0 HB THR A 60 -0.369 -10.303 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.008 -12.436 0.669 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.104 -12.119 -1.753 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.826 -10.588 -2.302 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.852 -11.839 -1.562 1.00 0.00 H new ATOM 804 N ILE A 61 0.585 -7.701 0.977 1.00 0.00 N ATOM 805 CA ILE A 61 0.172 -6.797 2.088 1.00 0.00 C ATOM 806 C ILE A 61 -0.911 -7.456 2.920 1.00 0.00 C ATOM 807 O ILE A 61 -2.012 -7.705 2.473 1.00 0.00 O ATOM 808 CB ILE A 61 -0.371 -5.506 1.522 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.770 -4.683 0.932 1.00 0.00 C ATOM 810 CG2 ILE A 61 -1.030 -4.695 2.630 1.00 0.00 C ATOM 811 CD1 ILE A 61 0.209 -3.389 0.342 1.00 0.00 C ATOM 0 H ILE A 61 0.289 -7.411 0.045 1.00 0.00 H new ATOM 0 HA ILE A 61 1.042 -6.593 2.712 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.101 -5.741 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.506 -4.455 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.284 -5.255 0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.420 -3.765 2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.847 -5.270 3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.295 -4.469 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.022 -2.799 -0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.510 -3.628 -0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.286 -2.816 1.126 1.00 0.00 H new ATOM 823 N ASN A 62 -0.584 -7.734 4.128 1.00 0.00 N ATOM 824 CA ASN A 62 -1.572 -8.389 5.046 1.00 0.00 C ATOM 825 C ASN A 62 -2.197 -7.385 6.026 1.00 0.00 C ATOM 826 O ASN A 62 -3.304 -7.580 6.487 1.00 0.00 O ATOM 827 CB ASN A 62 -0.887 -9.493 5.846 1.00 0.00 C ATOM 828 CG ASN A 62 -0.728 -10.736 4.968 1.00 0.00 C ATOM 829 OD1 ASN A 62 -0.706 -10.639 3.757 1.00 0.00 O ATOM 830 ND2 ASN A 62 -0.610 -11.907 5.530 1.00 0.00 N ATOM 0 H ASN A 62 0.329 -7.542 4.541 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.365 -8.804 4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.089 -9.153 6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.475 -9.733 6.732 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.499 -12.741 4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.628 -11.989 6.547 1.00 0.00 H new ATOM 837 N ARG A 63 -1.513 -6.329 6.369 1.00 0.00 N ATOM 838 CA ARG A 63 -2.098 -5.357 7.335 1.00 0.00 C ATOM 839 C ARG A 63 -2.010 -3.944 6.765 1.00 0.00 C ATOM 840 O ARG A 63 -0.955 -3.339 6.743 1.00 0.00 O ATOM 841 CB ARG A 63 -1.320 -5.423 8.651 1.00 0.00 C ATOM 842 CG ARG A 63 -2.258 -5.854 9.780 1.00 0.00 C ATOM 843 CD ARG A 63 -1.763 -5.271 11.104 1.00 0.00 C ATOM 844 NE ARG A 63 -0.981 -6.303 11.841 1.00 0.00 N ATOM 845 CZ ARG A 63 0.260 -6.071 12.172 1.00 0.00 C ATOM 846 NH1 ARG A 63 1.123 -5.708 11.263 1.00 0.00 N ATOM 847 NH2 ARG A 63 0.637 -6.199 13.415 1.00 0.00 N ATOM 0 H ARG A 63 -0.581 -6.098 6.025 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.144 -5.608 7.511 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.494 -6.128 8.562 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.885 -4.449 8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.272 -5.511 9.576 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.296 -6.942 9.841 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.143 -4.394 10.918 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.609 -4.941 11.707 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.416 -7.192 12.087 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.828 -5.605 10.292 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.092 -5.527 11.524 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.038 -6.480 14.126 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.607 -6.018 13.675 1.00 0.00 H new ATOM 861 N ILE A 64 -3.104 -3.409 6.299 1.00 0.00 N ATOM 862 CA ILE A 64 -3.064 -2.039 5.732 1.00 0.00 C ATOM 863 C ILE A 64 -3.719 -1.048 6.681 1.00 0.00 C ATOM 864 O ILE A 64 -4.692 -1.339 7.346 1.00 0.00 O ATOM 865 CB ILE A 64 -3.781 -2.012 4.389 1.00 0.00 C ATOM 866 CG1 ILE A 64 -2.969 -2.867 3.421 1.00 0.00 C ATOM 867 CG2 ILE A 64 -3.868 -0.569 3.878 1.00 0.00 C ATOM 868 CD1 ILE A 64 -3.018 -2.286 2.008 1.00 0.00 C ATOM 0 H ILE A 64 -4.018 -3.861 6.288 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.021 -1.754 5.592 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.795 -2.401 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.934 -2.924 3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.359 -3.885 3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.382 -0.554 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.421 0.038 4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.863 -0.164 3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.432 -2.913 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.052 -2.253 1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.606 -1.277 2.015 1.00 0.00 H new ATOM 880 N PHE A 65 -3.175 0.126 6.734 1.00 0.00 N ATOM 881 CA PHE A 65 -3.735 1.180 7.627 1.00 0.00 C ATOM 882 C PHE A 65 -4.338 2.298 6.772 1.00 0.00 C ATOM 883 O PHE A 65 -4.150 2.340 5.572 1.00 0.00 O ATOM 884 CB PHE A 65 -2.616 1.753 8.503 1.00 0.00 C ATOM 885 CG PHE A 65 -1.667 0.638 8.914 1.00 0.00 C ATOM 886 CD1 PHE A 65 -2.162 -0.653 9.163 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.292 0.892 9.041 1.00 0.00 C ATOM 888 CE1 PHE A 65 -1.282 -1.683 9.539 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.584 -0.142 9.417 1.00 0.00 C ATOM 890 CZ PHE A 65 0.086 -1.426 9.665 1.00 0.00 C ATOM 0 H PHE A 65 -2.358 0.410 6.194 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.508 0.749 8.263 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.072 2.524 7.957 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.040 2.228 9.388 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.219 -0.854 9.066 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.093 1.883 8.850 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.664 -2.675 9.731 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.641 0.055 9.514 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.759 -2.219 9.954 1.00 0.00 H new ATOM 1003 N GLU A 74 -8.005 3.631 -4.610 1.00 0.00 N ATOM 1004 CA GLU A 74 -7.348 2.701 -3.648 1.00 0.00 C ATOM 1005 C GLU A 74 -5.857 2.599 -3.974 1.00 0.00 C ATOM 1006 O GLU A 74 -5.460 1.903 -4.889 1.00 0.00 O ATOM 1007 CB GLU A 74 -7.991 1.315 -3.755 1.00 0.00 C ATOM 1008 CG GLU A 74 -9.481 1.413 -3.418 1.00 0.00 C ATOM 1009 CD GLU A 74 -10.182 0.113 -3.814 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -9.627 -0.615 -4.621 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -11.263 -0.134 -3.303 1.00 0.00 O ATOM 0 HA GLU A 74 -7.473 3.081 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.861 0.919 -4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.499 0.621 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.612 1.599 -2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.929 2.255 -3.945 1.00 0.00 H new ATOM 1018 N THR A 75 -5.027 3.286 -3.236 1.00 0.00 N ATOM 1019 CA THR A 75 -3.564 3.225 -3.511 1.00 0.00 C ATOM 1020 C THR A 75 -2.942 2.088 -2.707 1.00 0.00 C ATOM 1021 O THR A 75 -1.757 2.078 -2.435 1.00 0.00 O ATOM 1022 CB THR A 75 -2.902 4.549 -3.117 1.00 0.00 C ATOM 1023 OG1 THR A 75 -2.587 4.522 -1.733 1.00 0.00 O ATOM 1024 CG2 THR A 75 -3.852 5.714 -3.400 1.00 0.00 C ATOM 0 H THR A 75 -5.299 3.885 -2.457 1.00 0.00 H new ATOM 0 HA THR A 75 -3.408 3.049 -4.575 1.00 0.00 H new ATOM 0 HB THR A 75 -1.991 4.682 -3.701 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.545 5.439 -1.389 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.373 6.651 -3.117 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.094 5.737 -4.463 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.767 5.586 -2.822 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.728 1.122 -2.340 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.184 -0.029 -1.569 1.00 0.00 C ATOM 1034 C VAL A 76 -3.649 -1.328 -2.220 1.00 0.00 C ATOM 1035 O VAL A 76 -4.391 -1.326 -3.181 1.00 0.00 O ATOM 1036 CB VAL A 76 -3.665 0.012 -0.115 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -2.593 0.669 0.758 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -4.967 0.809 -0.015 1.00 0.00 C ATOM 0 H VAL A 76 -4.727 1.077 -2.540 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.095 0.028 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.845 -1.006 0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.934 0.699 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.670 0.092 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.410 1.685 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.301 0.832 1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.798 1.827 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.731 0.336 -0.631 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.208 -2.436 -1.707 1.00 0.00 N ATOM 1049 CA GLN A 77 -3.602 -3.746 -2.290 1.00 0.00 C ATOM 1050 C GLN A 77 -3.639 -4.795 -1.174 1.00 0.00 C ATOM 1051 O GLN A 77 -2.603 -5.254 -0.734 1.00 0.00 O ATOM 1052 CB GLN A 77 -2.563 -4.162 -3.338 1.00 0.00 C ATOM 1053 CG GLN A 77 -2.050 -2.934 -4.094 1.00 0.00 C ATOM 1054 CD GLN A 77 -3.110 -2.465 -5.092 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -3.814 -3.270 -5.671 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -3.255 -1.189 -5.321 1.00 0.00 N ATOM 0 H GLN A 77 -2.585 -2.493 -0.901 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.584 -3.666 -2.757 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.731 -4.672 -2.853 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.006 -4.870 -4.038 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.818 -2.133 -3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.125 -3.177 -4.618 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.665 -0.513 -4.836 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.959 -0.867 -5.985 1.00 0.00 H new ATOM 1065 N PRO A 78 -4.825 -5.145 -0.735 1.00 0.00 N ATOM 1066 CA PRO A 78 -4.997 -6.137 0.340 1.00 0.00 C ATOM 1067 C PRO A 78 -4.782 -7.554 -0.196 1.00 0.00 C ATOM 1068 O PRO A 78 -5.437 -7.986 -1.124 1.00 0.00 O ATOM 1069 CB PRO A 78 -6.446 -5.932 0.791 1.00 0.00 C ATOM 1070 CG PRO A 78 -7.179 -5.258 -0.392 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.094 -4.599 -1.263 1.00 0.00 C ATOM 0 HA PRO A 78 -4.283 -6.014 1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.912 -6.884 1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.491 -5.307 1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.744 -5.992 -0.966 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.892 -4.516 -0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.226 -4.845 -2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.124 -3.512 -1.183 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.867 -8.281 0.387 1.00 0.00 N ATOM 1080 CA GLY A 79 -3.613 -9.686 -0.094 1.00 0.00 C ATOM 1081 C GLY A 79 -3.058 -9.662 -1.525 1.00 0.00 C ATOM 1082 O GLY A 79 -3.173 -10.627 -2.256 1.00 0.00 O ATOM 0 H GLY A 79 -3.286 -7.975 1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.906 -10.184 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.538 -10.262 -0.064 1.00 0.00 H new ATOM 1086 N ASP A 80 -2.458 -8.576 -1.935 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.903 -8.509 -3.321 1.00 0.00 C ATOM 1088 C ASP A 80 -0.430 -8.947 -3.306 1.00 0.00 C ATOM 1089 O ASP A 80 0.231 -8.861 -2.290 1.00 0.00 O ATOM 1090 CB ASP A 80 -2.009 -7.072 -3.834 1.00 0.00 C ATOM 1091 CG ASP A 80 -3.095 -6.999 -4.909 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -2.824 -7.404 -6.027 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -4.182 -6.540 -4.594 1.00 0.00 O ATOM 0 H ASP A 80 -2.328 -7.735 -1.373 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.467 -9.173 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.248 -6.397 -3.012 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.052 -6.748 -4.244 1.00 0.00 H new ATOM 1098 N GLU A 81 0.099 -9.419 -4.415 1.00 0.00 N ATOM 1099 CA GLU A 81 1.538 -9.858 -4.408 1.00 0.00 C ATOM 1100 C GLU A 81 2.455 -8.685 -4.856 1.00 0.00 C ATOM 1101 O GLU A 81 2.675 -8.493 -6.035 1.00 0.00 O ATOM 1102 CB GLU A 81 1.736 -11.044 -5.371 1.00 0.00 C ATOM 1103 CG GLU A 81 3.233 -11.264 -5.606 1.00 0.00 C ATOM 1104 CD GLU A 81 3.957 -11.327 -4.261 1.00 0.00 C ATOM 1105 OE1 GLU A 81 3.657 -12.223 -3.489 1.00 0.00 O ATOM 1106 OE2 GLU A 81 4.801 -10.478 -4.025 1.00 0.00 O ATOM 0 H GLU A 81 -0.389 -9.518 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 81 1.801 -10.163 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.286 -11.945 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.233 -10.846 -6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.393 -12.189 -6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.640 -10.454 -6.212 1.00 0.00 H new ATOM 1113 N ILE A 82 2.995 -7.902 -3.936 1.00 0.00 N ATOM 1114 CA ILE A 82 3.888 -6.764 -4.331 1.00 0.00 C ATOM 1115 C ILE A 82 5.325 -7.276 -4.516 1.00 0.00 C ATOM 1116 O ILE A 82 5.877 -7.906 -3.636 1.00 0.00 O ATOM 1117 CB ILE A 82 3.872 -5.714 -3.216 1.00 0.00 C ATOM 1118 CG1 ILE A 82 2.476 -5.687 -2.572 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.213 -4.341 -3.803 1.00 0.00 C ATOM 1120 CD1 ILE A 82 2.212 -4.323 -1.926 1.00 0.00 C ATOM 0 H ILE A 82 2.852 -8.007 -2.932 1.00 0.00 H new ATOM 0 HA ILE A 82 3.535 -6.328 -5.265 1.00 0.00 H new ATOM 0 HB ILE A 82 4.612 -5.965 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.717 -5.892 -3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.400 -6.473 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.202 -3.593 -3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.204 -4.375 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.476 -4.076 -4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.220 -4.320 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.961 -4.133 -1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.267 -3.544 -2.686 1.00 0.00 H new ATOM 1132 N LEU A 83 5.941 -7.026 -5.648 1.00 0.00 N ATOM 1133 CA LEU A 83 7.339 -7.525 -5.852 1.00 0.00 C ATOM 1134 C LEU A 83 8.364 -6.576 -5.208 1.00 0.00 C ATOM 1135 O LEU A 83 9.315 -7.017 -4.595 1.00 0.00 O ATOM 1136 CB LEU A 83 7.632 -7.634 -7.346 1.00 0.00 C ATOM 1137 CG LEU A 83 6.547 -8.479 -8.019 1.00 0.00 C ATOM 1138 CD1 LEU A 83 5.981 -7.722 -9.221 1.00 0.00 C ATOM 1139 CD2 LEU A 83 7.150 -9.803 -8.491 1.00 0.00 C ATOM 0 H LEU A 83 5.543 -6.505 -6.430 1.00 0.00 H new ATOM 0 HA LEU A 83 7.422 -8.504 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.665 -6.641 -7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.611 -8.087 -7.503 1.00 0.00 H new ATOM 0 HG LEU A 83 5.748 -8.677 -7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.209 -8.324 -9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.550 -6.778 -8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.780 -7.523 -9.935 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.377 -10.404 -8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.950 -9.605 -9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.553 -10.345 -7.635 1.00 0.00 H new ATOM 1151 N GLN A 84 8.196 -5.284 -5.343 1.00 0.00 N ATOM 1152 CA GLN A 84 9.184 -4.343 -4.736 1.00 0.00 C ATOM 1153 C GLN A 84 8.476 -3.057 -4.303 1.00 0.00 C ATOM 1154 O GLN A 84 7.433 -2.707 -4.819 1.00 0.00 O ATOM 1155 CB GLN A 84 10.283 -4.017 -5.759 1.00 0.00 C ATOM 1156 CG GLN A 84 9.764 -3.040 -6.820 1.00 0.00 C ATOM 1157 CD GLN A 84 9.035 -3.815 -7.919 1.00 0.00 C ATOM 1158 OE1 GLN A 84 7.835 -3.689 -8.073 1.00 0.00 O ATOM 1159 NE2 GLN A 84 9.711 -4.618 -8.694 1.00 0.00 N ATOM 0 H GLN A 84 7.424 -4.844 -5.843 1.00 0.00 H new ATOM 0 HA GLN A 84 9.637 -4.811 -3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.144 -3.584 -5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.624 -4.935 -6.238 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.089 -2.316 -6.363 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.594 -2.477 -7.247 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.717 -4.724 -8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.233 -5.140 -9.429 1.00 0.00 H new ATOM 1168 N LEU A 85 9.037 -2.348 -3.363 1.00 0.00 N ATOM 1169 CA LEU A 85 8.399 -1.084 -2.901 1.00 0.00 C ATOM 1170 C LEU A 85 9.251 0.106 -3.349 1.00 0.00 C ATOM 1171 O LEU A 85 10.258 -0.055 -4.009 1.00 0.00 O ATOM 1172 CB LEU A 85 8.298 -1.101 -1.374 1.00 0.00 C ATOM 1173 CG LEU A 85 6.894 -1.527 -0.948 1.00 0.00 C ATOM 1174 CD1 LEU A 85 6.460 -2.743 -1.766 1.00 0.00 C ATOM 1175 CD2 LEU A 85 6.915 -1.896 0.535 1.00 0.00 C ATOM 0 H LEU A 85 9.910 -2.590 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 85 7.401 -0.995 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.037 -1.788 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.524 -0.112 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 85 6.194 -0.709 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.458 -3.047 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.456 -2.486 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.156 -3.564 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.917 -2.201 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.613 -2.718 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.230 -1.032 1.120 1.00 0.00 H new ATOM 1187 N GLY A 86 8.854 1.298 -3.001 1.00 0.00 N ATOM 1188 CA GLY A 86 9.636 2.496 -3.411 1.00 0.00 C ATOM 1189 C GLY A 86 11.112 2.334 -3.034 1.00 0.00 C ATOM 1190 O GLY A 86 11.960 3.046 -3.532 1.00 0.00 O ATOM 0 H GLY A 86 8.019 1.494 -2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.545 2.645 -4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.228 3.385 -2.930 1.00 0.00 H new ATOM 1194 N GLY A 87 11.441 1.416 -2.161 1.00 0.00 N ATOM 1195 CA GLY A 87 12.889 1.260 -1.789 1.00 0.00 C ATOM 1196 C GLY A 87 13.159 -0.134 -1.218 1.00 0.00 C ATOM 1197 O GLY A 87 13.790 -0.281 -0.189 1.00 0.00 O ATOM 0 H GLY A 87 10.792 0.780 -1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.514 1.425 -2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 87 13.164 2.018 -1.055 1.00 0.00 H new ATOM 1201 N THR A 88 12.722 -1.159 -1.893 1.00 0.00 N ATOM 1202 CA THR A 88 12.989 -2.538 -1.412 1.00 0.00 C ATOM 1203 C THR A 88 12.417 -3.518 -2.433 1.00 0.00 C ATOM 1204 O THR A 88 11.349 -3.311 -2.972 1.00 0.00 O ATOM 1205 CB THR A 88 12.355 -2.787 -0.016 1.00 0.00 C ATOM 1206 OG1 THR A 88 13.178 -3.699 0.689 1.00 0.00 O ATOM 1207 CG2 THR A 88 10.954 -3.404 -0.125 1.00 0.00 C ATOM 0 H THR A 88 12.189 -1.099 -2.761 1.00 0.00 H new ATOM 0 HA THR A 88 14.065 -2.679 -1.307 1.00 0.00 H new ATOM 0 HB THR A 88 12.272 -1.828 0.495 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.643 -4.170 1.361 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.547 -3.562 0.874 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.302 -2.730 -0.680 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.017 -4.359 -0.646 1.00 0.00 H new ATOM 1215 N ALA A 89 13.096 -4.588 -2.684 1.00 0.00 N ATOM 1216 CA ALA A 89 12.557 -5.579 -3.645 1.00 0.00 C ATOM 1217 C ALA A 89 12.461 -6.939 -2.961 1.00 0.00 C ATOM 1218 O ALA A 89 13.440 -7.490 -2.499 1.00 0.00 O ATOM 1219 CB ALA A 89 13.458 -5.674 -4.858 1.00 0.00 C ATOM 0 H ALA A 89 13.998 -4.823 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 89 11.566 -5.263 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.052 -6.405 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.517 -4.701 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.455 -5.985 -4.547 1.00 0.00 H new ATOM 1225 N MET A 90 11.279 -7.473 -2.887 1.00 0.00 N ATOM 1226 CA MET A 90 11.078 -8.782 -2.227 1.00 0.00 C ATOM 1227 C MET A 90 11.862 -9.865 -2.959 1.00 0.00 C ATOM 1228 O MET A 90 12.760 -10.466 -2.404 1.00 0.00 O ATOM 1229 CB MET A 90 9.589 -9.117 -2.250 1.00 0.00 C ATOM 1230 CG MET A 90 8.863 -8.234 -1.235 1.00 0.00 C ATOM 1231 SD MET A 90 8.360 -6.686 -2.024 1.00 0.00 S ATOM 1232 CE MET A 90 9.065 -5.570 -0.786 1.00 0.00 C ATOM 0 H MET A 90 10.431 -7.049 -3.263 1.00 0.00 H new ATOM 0 HA MET A 90 11.434 -8.732 -1.198 1.00 0.00 H new ATOM 0 HB2 MET A 90 9.182 -8.955 -3.248 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.436 -10.169 -2.010 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.989 -8.755 -0.844 1.00 0.00 H new ATOM 0 HG3 MET A 90 9.515 -8.026 -0.387 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.933 -4.538 -1.109 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.559 -5.719 0.168 1.00 0.00 H new ATOM 0 HE3 MET A 90 10.128 -5.780 -0.670 1.00 0.00 H new ATOM 1242 N GLN A 91 11.514 -10.149 -4.186 1.00 0.00 N ATOM 1243 CA GLN A 91 12.243 -11.238 -4.920 1.00 0.00 C ATOM 1244 C GLN A 91 13.752 -11.256 -4.606 1.00 0.00 C ATOM 1245 O GLN A 91 14.371 -12.301 -4.662 1.00 0.00 O ATOM 1246 CB GLN A 91 12.000 -11.113 -6.439 1.00 0.00 C ATOM 1247 CG GLN A 91 10.600 -11.638 -6.810 1.00 0.00 C ATOM 1248 CD GLN A 91 9.604 -11.380 -5.674 1.00 0.00 C ATOM 1249 OE1 GLN A 91 9.473 -12.182 -4.771 1.00 0.00 O ATOM 1250 NE2 GLN A 91 8.894 -10.285 -5.680 1.00 0.00 N ATOM 0 H GLN A 91 10.770 -9.686 -4.709 1.00 0.00 H new ATOM 0 HA GLN A 91 11.841 -12.189 -4.571 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.096 -10.071 -6.743 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.760 -11.675 -6.982 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.254 -11.151 -7.721 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.651 -12.706 -7.020 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.003 -9.611 -6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.230 -10.103 -4.927 1.00 0.00 H new ATOM 1259 N GLY A 92 14.360 -10.160 -4.238 1.00 0.00 N ATOM 1260 CA GLY A 92 15.800 -10.215 -3.895 1.00 0.00 C ATOM 1261 C GLY A 92 15.916 -9.928 -2.406 1.00 0.00 C ATOM 1262 O GLY A 92 16.721 -9.125 -1.976 1.00 0.00 O ATOM 0 H GLY A 92 13.923 -9.241 -4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.215 -11.195 -4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 92 16.362 -9.482 -4.474 1.00 0.00 H new ATOM 1266 N LEU A 93 15.089 -10.559 -1.609 1.00 0.00 N ATOM 1267 CA LEU A 93 15.130 -10.296 -0.158 1.00 0.00 C ATOM 1268 C LEU A 93 14.244 -11.310 0.558 1.00 0.00 C ATOM 1269 O LEU A 93 13.754 -12.255 -0.027 1.00 0.00 O ATOM 1270 CB LEU A 93 14.597 -8.882 0.098 1.00 0.00 C ATOM 1271 CG LEU A 93 15.735 -7.984 0.586 1.00 0.00 C ATOM 1272 CD1 LEU A 93 15.453 -6.537 0.178 1.00 0.00 C ATOM 1273 CD2 LEU A 93 15.839 -8.073 2.111 1.00 0.00 C ATOM 0 H LEU A 93 14.393 -11.241 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 93 16.152 -10.381 0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.165 -8.474 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.800 -8.912 0.841 1.00 0.00 H new ATOM 0 HG LEU A 93 16.673 -8.312 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 93 16.264 -5.896 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.380 -6.473 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.514 -6.209 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.650 -7.433 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 93 14.901 -7.746 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 93 16.040 -9.104 2.402 1.00 0.00 H new ATOM 1285 N THR A 94 14.025 -11.102 1.817 1.00 0.00 N ATOM 1286 CA THR A 94 13.156 -12.028 2.595 1.00 0.00 C ATOM 1287 C THR A 94 11.946 -11.248 3.109 1.00 0.00 C ATOM 1288 O THR A 94 12.015 -10.057 3.338 1.00 0.00 O ATOM 1289 CB THR A 94 13.934 -12.609 3.778 1.00 0.00 C ATOM 1290 OG1 THR A 94 14.792 -11.614 4.315 1.00 0.00 O ATOM 1291 CG2 THR A 94 14.763 -13.806 3.309 1.00 0.00 C ATOM 0 H THR A 94 14.412 -10.324 2.351 1.00 0.00 H new ATOM 0 HA THR A 94 12.829 -12.848 1.956 1.00 0.00 H new ATOM 0 HB THR A 94 13.234 -12.936 4.547 1.00 0.00 H new ATOM 0 HG1 THR A 94 15.600 -11.547 3.764 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.316 -14.218 4.153 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.101 -14.570 2.901 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.463 -13.484 2.538 1.00 0.00 H new ATOM 1299 N ARG A 95 10.832 -11.903 3.270 1.00 0.00 N ATOM 1300 CA ARG A 95 9.606 -11.176 3.749 1.00 0.00 C ATOM 1301 C ARG A 95 9.960 -10.199 4.870 1.00 0.00 C ATOM 1302 O ARG A 95 9.692 -9.019 4.775 1.00 0.00 O ATOM 1303 CB ARG A 95 8.538 -12.159 4.263 1.00 0.00 C ATOM 1304 CG ARG A 95 7.307 -11.373 4.715 1.00 0.00 C ATOM 1305 CD ARG A 95 7.463 -10.973 6.183 1.00 0.00 C ATOM 1306 NE ARG A 95 6.544 -11.794 7.020 1.00 0.00 N ATOM 1307 CZ ARG A 95 6.852 -12.056 8.260 1.00 0.00 C ATOM 1308 NH1 ARG A 95 6.478 -11.245 9.212 1.00 0.00 N ATOM 1309 NH2 ARG A 95 7.531 -13.133 8.551 1.00 0.00 N ATOM 0 H ARG A 95 10.709 -12.900 3.095 1.00 0.00 H new ATOM 0 HA ARG A 95 9.204 -10.627 2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.266 -12.863 3.477 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.935 -12.745 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.184 -10.484 4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.409 -11.978 4.586 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.494 -11.120 6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.238 -9.914 6.309 1.00 0.00 H new ATOM 0 HE ARG A 95 5.675 -12.151 6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.944 -10.405 8.986 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.719 -11.451 10.181 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.821 -13.769 7.808 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.772 -13.338 9.521 1.00 0.00 H new ATOM 1323 N PHE A 96 10.539 -10.668 5.938 1.00 0.00 N ATOM 1324 CA PHE A 96 10.874 -9.740 7.053 1.00 0.00 C ATOM 1325 C PHE A 96 11.903 -8.717 6.584 1.00 0.00 C ATOM 1326 O PHE A 96 11.653 -7.528 6.598 1.00 0.00 O ATOM 1327 CB PHE A 96 11.429 -10.534 8.236 1.00 0.00 C ATOM 1328 CG PHE A 96 11.281 -9.723 9.501 1.00 0.00 C ATOM 1329 CD1 PHE A 96 10.022 -9.240 9.879 1.00 0.00 C ATOM 1330 CD2 PHE A 96 12.403 -9.454 10.294 1.00 0.00 C ATOM 1331 CE1 PHE A 96 9.885 -8.489 11.053 1.00 0.00 C ATOM 1332 CE2 PHE A 96 12.264 -8.703 11.468 1.00 0.00 C ATOM 1333 CZ PHE A 96 11.006 -8.221 11.847 1.00 0.00 C ATOM 0 H PHE A 96 10.793 -11.644 6.087 1.00 0.00 H new ATOM 0 HA PHE A 96 9.971 -9.216 7.367 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.897 -11.480 8.334 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.479 -10.774 8.066 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.157 -9.447 9.266 1.00 0.00 H new ATOM 0 HD2 PHE A 96 13.374 -9.825 10.001 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.914 -8.117 11.346 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.128 -8.496 12.081 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.900 -7.642 12.753 1.00 0.00 H new ATOM 1343 N GLU A 97 13.055 -9.155 6.164 1.00 0.00 N ATOM 1344 CA GLU A 97 14.071 -8.180 5.699 1.00 0.00 C ATOM 1345 C GLU A 97 13.414 -7.225 4.712 1.00 0.00 C ATOM 1346 O GLU A 97 13.668 -6.039 4.719 1.00 0.00 O ATOM 1347 CB GLU A 97 15.221 -8.912 5.005 1.00 0.00 C ATOM 1348 CG GLU A 97 15.942 -9.802 6.015 1.00 0.00 C ATOM 1349 CD GLU A 97 16.913 -8.957 6.840 1.00 0.00 C ATOM 1350 OE1 GLU A 97 17.873 -8.467 6.267 1.00 0.00 O ATOM 1351 OE2 GLU A 97 16.681 -8.812 8.028 1.00 0.00 O ATOM 0 H GLU A 97 13.333 -10.135 6.123 1.00 0.00 H new ATOM 0 HA GLU A 97 14.466 -7.629 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.838 -9.515 4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.918 -8.192 4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.218 -10.286 6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.483 -10.594 5.497 1.00 0.00 H new ATOM 1358 N ALA A 98 12.568 -7.733 3.860 1.00 0.00 N ATOM 1359 CA ALA A 98 11.900 -6.854 2.865 1.00 0.00 C ATOM 1360 C ALA A 98 11.181 -5.704 3.567 1.00 0.00 C ATOM 1361 O ALA A 98 11.579 -4.563 3.470 1.00 0.00 O ATOM 1362 CB ALA A 98 10.891 -7.671 2.054 1.00 0.00 C ATOM 0 H ALA A 98 12.311 -8.719 3.811 1.00 0.00 H new ATOM 0 HA ALA A 98 12.657 -6.440 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.402 -7.025 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.409 -8.477 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.142 -8.093 2.724 1.00 0.00 H new ATOM 1368 N TRP A 99 10.123 -5.994 4.260 1.00 0.00 N ATOM 1369 CA TRP A 99 9.350 -4.909 4.955 1.00 0.00 C ATOM 1370 C TRP A 99 10.271 -4.039 5.828 1.00 0.00 C ATOM 1371 O TRP A 99 9.898 -2.957 6.237 1.00 0.00 O ATOM 1372 CB TRP A 99 8.270 -5.563 5.824 1.00 0.00 C ATOM 1373 CG TRP A 99 7.485 -4.525 6.559 1.00 0.00 C ATOM 1374 CD1 TRP A 99 7.133 -4.608 7.863 1.00 0.00 C ATOM 1375 CD2 TRP A 99 6.938 -3.269 6.066 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.403 -3.485 8.200 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.255 -2.629 7.128 1.00 0.00 C ATOM 1378 CE3 TRP A 99 6.964 -2.626 4.815 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.621 -1.400 6.955 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.329 -1.388 4.640 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.658 -0.776 5.706 1.00 0.00 C ATOM 0 H TRP A 99 9.750 -6.936 4.382 1.00 0.00 H new ATOM 0 HA TRP A 99 8.895 -4.260 4.207 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.603 -6.156 5.199 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.733 -6.247 6.535 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.382 -5.419 8.531 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.020 -3.310 9.129 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.476 -3.089 3.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.105 -0.933 7.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.358 -0.903 3.676 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.170 0.177 5.563 1.00 0.00 H new ATOM 1392 N ASN A 100 11.460 -4.489 6.128 1.00 0.00 N ATOM 1393 CA ASN A 100 12.366 -3.665 6.983 1.00 0.00 C ATOM 1394 C ASN A 100 13.106 -2.605 6.145 1.00 0.00 C ATOM 1395 O ASN A 100 13.165 -1.452 6.522 1.00 0.00 O ATOM 1396 CB ASN A 100 13.379 -4.575 7.687 1.00 0.00 C ATOM 1397 CG ASN A 100 12.740 -5.170 8.942 1.00 0.00 C ATOM 1398 OD1 ASN A 100 12.227 -4.452 9.777 1.00 0.00 O ATOM 1399 ND2 ASN A 100 12.748 -6.464 9.112 1.00 0.00 N ATOM 0 H ASN A 100 11.842 -5.384 5.822 1.00 0.00 H new ATOM 0 HA ASN A 100 11.761 -3.147 7.727 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.697 -5.372 7.015 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.271 -4.008 7.954 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.324 -6.872 9.945 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.178 -7.068 8.412 1.00 0.00 H new ATOM 1406 N ILE A 101 13.676 -2.967 5.019 1.00 0.00 N ATOM 1407 CA ILE A 101 14.400 -1.958 4.195 1.00 0.00 C ATOM 1408 C ILE A 101 13.478 -0.783 3.891 1.00 0.00 C ATOM 1409 O ILE A 101 13.880 0.361 3.939 1.00 0.00 O ATOM 1410 CB ILE A 101 14.822 -2.593 2.874 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.954 -3.573 3.115 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.259 -1.517 1.882 1.00 0.00 C ATOM 1413 CD1 ILE A 101 15.344 -4.967 3.144 1.00 0.00 C ATOM 0 H ILE A 101 13.669 -3.914 4.640 1.00 0.00 H new ATOM 0 HA ILE A 101 15.275 -1.612 4.746 1.00 0.00 H new ATOM 0 HB ILE A 101 13.971 -3.127 2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.703 -3.497 2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.459 -3.354 4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.557 -1.986 0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.430 -0.833 1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.102 -0.963 2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 101 16.129 -5.704 3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.609 -5.026 3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.857 -5.171 2.190 1.00 0.00 H new ATOM 1425 N ILE A 102 12.246 -1.059 3.571 1.00 0.00 N ATOM 1426 CA ILE A 102 11.303 0.045 3.247 1.00 0.00 C ATOM 1427 C ILE A 102 11.298 1.058 4.392 1.00 0.00 C ATOM 1428 O ILE A 102 11.664 2.204 4.231 1.00 0.00 O ATOM 1429 CB ILE A 102 9.916 -0.546 3.097 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.809 -1.302 1.795 1.00 0.00 C ATOM 1431 CG2 ILE A 102 8.844 0.542 3.154 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.670 -2.770 2.169 1.00 0.00 C ATOM 0 H ILE A 102 11.852 -1.998 3.520 1.00 0.00 H new ATOM 0 HA ILE A 102 11.605 0.543 2.326 1.00 0.00 H new ATOM 0 HB ILE A 102 9.752 -1.233 3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.948 -0.964 1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.692 -1.139 1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.859 0.088 3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.900 1.058 4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.007 1.256 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.588 -3.370 1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.546 -3.086 2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.776 -2.907 2.777 1.00 0.00 H new ATOM 1444 N LYS A 103 10.869 0.634 5.547 1.00 0.00 N ATOM 1445 CA LYS A 103 10.814 1.561 6.719 1.00 0.00 C ATOM 1446 C LYS A 103 12.067 2.430 6.758 1.00 0.00 C ATOM 1447 O LYS A 103 12.032 3.577 7.160 1.00 0.00 O ATOM 1448 CB LYS A 103 10.732 0.749 8.012 1.00 0.00 C ATOM 1449 CG LYS A 103 9.386 0.033 8.077 1.00 0.00 C ATOM 1450 CD LYS A 103 8.769 0.228 9.463 1.00 0.00 C ATOM 1451 CE LYS A 103 7.407 0.909 9.324 1.00 0.00 C ATOM 1452 NZ LYS A 103 6.560 0.570 10.503 1.00 0.00 N ATOM 0 H LYS A 103 10.552 -0.317 5.734 1.00 0.00 H new ATOM 0 HA LYS A 103 9.934 2.197 6.623 1.00 0.00 H new ATOM 0 HB2 LYS A 103 11.544 0.023 8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.849 1.405 8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.717 0.425 7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.517 -1.030 7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.657 -0.735 9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.429 0.834 10.084 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.534 1.989 9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 103 6.918 0.584 8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.633 1.033 10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 6.429 -0.461 10.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.026 0.901 11.372 1.00 0.00 H new ATOM 1466 N ALA A 104 13.175 1.884 6.363 1.00 0.00 N ATOM 1467 CA ALA A 104 14.448 2.665 6.393 1.00 0.00 C ATOM 1468 C ALA A 104 14.511 3.664 5.231 1.00 0.00 C ATOM 1469 O ALA A 104 15.266 4.616 5.268 1.00 0.00 O ATOM 1470 CB ALA A 104 15.637 1.707 6.302 1.00 0.00 C ATOM 0 H ALA A 104 13.261 0.928 6.018 1.00 0.00 H new ATOM 0 HA ALA A 104 14.486 3.222 7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.566 2.277 6.324 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.614 1.018 7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.579 1.143 5.371 1.00 0.00 H new ATOM 1476 N LEU A 105 13.742 3.464 4.198 1.00 0.00 N ATOM 1477 CA LEU A 105 13.786 4.408 3.047 1.00 0.00 C ATOM 1478 C LEU A 105 13.535 5.841 3.531 1.00 0.00 C ATOM 1479 O LEU A 105 13.245 6.058 4.691 1.00 0.00 O ATOM 1480 CB LEU A 105 12.686 3.999 2.073 1.00 0.00 C ATOM 1481 CG LEU A 105 13.248 3.034 1.034 1.00 0.00 C ATOM 1482 CD1 LEU A 105 14.181 3.779 0.077 1.00 0.00 C ATOM 1483 CD2 LEU A 105 14.025 1.913 1.728 1.00 0.00 C ATOM 0 H LEU A 105 13.086 2.689 4.101 1.00 0.00 H new ATOM 0 HA LEU A 105 14.764 4.373 2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.865 3.528 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.278 4.881 1.580 1.00 0.00 H new ATOM 0 HG LEU A 105 12.419 2.606 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 105 14.577 3.082 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.627 4.569 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.005 4.218 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 105 14.423 1.228 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.847 2.341 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.359 1.370 2.399 1.00 0.00 H new ATOM 1495 N PRO A 106 13.633 6.779 2.617 1.00 0.00 N ATOM 1496 CA PRO A 106 13.401 8.199 2.916 1.00 0.00 C ATOM 1497 C PRO A 106 11.899 8.506 2.904 1.00 0.00 C ATOM 1498 O PRO A 106 11.080 7.640 2.673 1.00 0.00 O ATOM 1499 CB PRO A 106 14.119 8.927 1.777 1.00 0.00 C ATOM 1500 CG PRO A 106 14.223 7.917 0.608 1.00 0.00 C ATOM 1501 CD PRO A 106 14.014 6.516 1.213 1.00 0.00 C ATOM 0 HA PRO A 106 13.764 8.498 3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.565 9.816 1.474 1.00 0.00 H new ATOM 0 HB3 PRO A 106 15.108 9.260 2.092 1.00 0.00 H new ATOM 0 HG2 PRO A 106 13.470 8.126 -0.152 1.00 0.00 H new ATOM 0 HG3 PRO A 106 15.196 7.987 0.121 1.00 0.00 H new ATOM 0 HD2 PRO A 106 13.234 5.967 0.685 1.00 0.00 H new ATOM 0 HD3 PRO A 106 14.923 5.917 1.153 1.00 0.00 H new ATOM 1509 N ASP A 107 11.537 9.733 3.153 1.00 0.00 N ATOM 1510 CA ASP A 107 10.098 10.106 3.159 1.00 0.00 C ATOM 1511 C ASP A 107 9.725 10.718 1.808 1.00 0.00 C ATOM 1512 O ASP A 107 9.975 11.880 1.554 1.00 0.00 O ATOM 1513 CB ASP A 107 9.849 11.125 4.273 1.00 0.00 C ATOM 1514 CG ASP A 107 10.560 10.670 5.549 1.00 0.00 C ATOM 1515 OD1 ASP A 107 11.776 10.572 5.524 1.00 0.00 O ATOM 1516 OD2 ASP A 107 9.876 10.428 6.530 1.00 0.00 O ATOM 0 H ASP A 107 12.182 10.498 3.354 1.00 0.00 H new ATOM 0 HA ASP A 107 9.488 9.220 3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.214 12.107 3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.779 11.225 4.456 1.00 0.00 H new ATOM 1521 N GLY A 108 9.135 9.950 0.938 1.00 0.00 N ATOM 1522 CA GLY A 108 8.755 10.504 -0.399 1.00 0.00 C ATOM 1523 C GLY A 108 7.763 9.565 -1.100 1.00 0.00 C ATOM 1524 O GLY A 108 6.951 8.930 -0.457 1.00 0.00 O ATOM 0 H GLY A 108 8.899 8.969 1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.309 11.491 -0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.645 10.630 -1.015 1.00 0.00 H new ATOM 1528 N PRO A 109 7.864 9.514 -2.408 1.00 0.00 N ATOM 1529 CA PRO A 109 6.992 8.670 -3.251 1.00 0.00 C ATOM 1530 C PRO A 109 7.398 7.199 -3.164 1.00 0.00 C ATOM 1531 O PRO A 109 8.313 6.755 -3.830 1.00 0.00 O ATOM 1532 CB PRO A 109 7.220 9.217 -4.664 1.00 0.00 C ATOM 1533 CG PRO A 109 8.585 9.939 -4.640 1.00 0.00 C ATOM 1534 CD PRO A 109 8.865 10.294 -3.168 1.00 0.00 C ATOM 0 HA PRO A 109 5.947 8.706 -2.944 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.221 8.410 -5.397 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.423 9.904 -4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.370 9.298 -5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.560 10.837 -5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.881 10.025 -2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.756 11.364 -2.989 1.00 0.00 H new ATOM 1542 N VAL A 110 6.701 6.430 -2.371 1.00 0.00 N ATOM 1543 CA VAL A 110 7.023 4.985 -2.275 1.00 0.00 C ATOM 1544 C VAL A 110 6.246 4.297 -3.374 1.00 0.00 C ATOM 1545 O VAL A 110 5.035 4.249 -3.358 1.00 0.00 O ATOM 1546 CB VAL A 110 6.597 4.440 -0.913 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.289 5.086 -0.487 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.387 2.922 -0.972 1.00 0.00 C ATOM 0 H VAL A 110 5.925 6.743 -1.788 1.00 0.00 H new ATOM 0 HA VAL A 110 8.094 4.813 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 110 7.388 4.669 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.989 4.694 0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.422 6.166 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.516 4.862 -1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.084 2.558 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.610 2.690 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.317 2.437 -1.267 1.00 0.00 H new ATOM 1558 N THR A 111 6.934 3.798 -4.344 1.00 0.00 N ATOM 1559 CA THR A 111 6.235 3.151 -5.480 1.00 0.00 C ATOM 1560 C THR A 111 6.003 1.672 -5.193 1.00 0.00 C ATOM 1561 O THR A 111 6.918 0.924 -4.908 1.00 0.00 O ATOM 1562 CB THR A 111 7.079 3.296 -6.747 1.00 0.00 C ATOM 1563 OG1 THR A 111 7.684 4.580 -6.768 1.00 0.00 O ATOM 1564 CG2 THR A 111 6.190 3.129 -7.981 1.00 0.00 C ATOM 0 H THR A 111 7.952 3.807 -4.405 1.00 0.00 H new ATOM 0 HA THR A 111 5.270 3.637 -5.620 1.00 0.00 H new ATOM 0 HB THR A 111 7.853 2.529 -6.755 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.226 4.673 -7.579 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.795 3.233 -8.882 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.728 2.142 -7.966 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.413 3.893 -7.976 1.00 0.00 H new ATOM 1572 N ILE A 112 4.778 1.251 -5.291 1.00 0.00 N ATOM 1573 CA ILE A 112 4.442 -0.166 -5.057 1.00 0.00 C ATOM 1574 C ILE A 112 4.128 -0.809 -6.402 1.00 0.00 C ATOM 1575 O ILE A 112 3.722 -0.144 -7.335 1.00 0.00 O ATOM 1576 CB ILE A 112 3.214 -0.263 -4.150 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.334 0.971 -4.333 1.00 0.00 C ATOM 1578 CG2 ILE A 112 3.654 -0.366 -2.689 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.093 0.839 -3.460 1.00 0.00 C ATOM 0 H ILE A 112 3.983 1.845 -5.528 1.00 0.00 H new ATOM 0 HA ILE A 112 5.278 -0.675 -4.577 1.00 0.00 H new ATOM 0 HB ILE A 112 2.645 -1.153 -4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 112 2.888 1.870 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.047 1.075 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 112 2.775 -0.435 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.270 -1.255 -2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.231 0.519 -2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.463 1.719 -3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.536 -0.052 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.391 0.755 -2.415 1.00 0.00 H new ATOM 1591 N VAL A 113 4.306 -2.088 -6.516 1.00 0.00 N ATOM 1592 CA VAL A 113 4.004 -2.750 -7.807 1.00 0.00 C ATOM 1593 C VAL A 113 3.569 -4.177 -7.523 1.00 0.00 C ATOM 1594 O VAL A 113 4.368 -5.020 -7.168 1.00 0.00 O ATOM 1595 CB VAL A 113 5.250 -2.782 -8.697 1.00 0.00 C ATOM 1596 CG1 VAL A 113 4.840 -2.569 -10.155 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.228 -1.680 -8.276 1.00 0.00 C ATOM 0 H VAL A 113 4.646 -2.702 -5.776 1.00 0.00 H new ATOM 0 HA VAL A 113 3.217 -2.197 -8.320 1.00 0.00 H new ATOM 0 HB VAL A 113 5.738 -3.751 -8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.726 -2.592 -10.789 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.155 -3.361 -10.460 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.346 -1.603 -10.257 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.110 -1.712 -8.916 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.745 -0.708 -8.373 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.526 -1.835 -7.239 1.00 0.00 H new ATOM 1607 N ILE A 114 2.316 -4.463 -7.672 1.00 0.00 N ATOM 1608 CA ILE A 114 1.859 -5.847 -7.402 1.00 0.00 C ATOM 1609 C ILE A 114 1.229 -6.432 -8.659 1.00 0.00 C ATOM 1610 O ILE A 114 1.153 -5.798 -9.693 1.00 0.00 O ATOM 1611 CB ILE A 114 0.857 -5.871 -6.228 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -0.597 -5.744 -6.722 1.00 0.00 C ATOM 1613 CG2 ILE A 114 1.166 -4.716 -5.275 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -0.870 -4.327 -7.225 1.00 0.00 C ATOM 0 H ILE A 114 1.592 -3.807 -7.966 1.00 0.00 H new ATOM 0 HA ILE A 114 2.719 -6.455 -7.121 1.00 0.00 H new ATOM 0 HB ILE A 114 0.961 -6.827 -5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.779 -6.462 -7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -1.285 -5.988 -5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.460 -4.730 -4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.180 -4.823 -4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.078 -3.770 -5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.902 -4.256 -7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.708 -3.616 -6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.195 -4.097 -8.049 1.00 0.00 H new ATOM 1626 N ARG A 115 0.779 -7.639 -8.564 1.00 0.00 N ATOM 1627 CA ARG A 115 0.146 -8.306 -9.726 1.00 0.00 C ATOM 1628 C ARG A 115 -0.874 -9.305 -9.183 1.00 0.00 C ATOM 1629 O ARG A 115 -0.519 -10.362 -8.702 1.00 0.00 O ATOM 1630 CB ARG A 115 1.226 -9.037 -10.535 1.00 0.00 C ATOM 1631 CG ARG A 115 0.640 -9.552 -11.850 1.00 0.00 C ATOM 1632 CD ARG A 115 0.270 -11.027 -11.703 1.00 0.00 C ATOM 1633 NE ARG A 115 1.389 -11.761 -11.045 1.00 0.00 N ATOM 1634 CZ ARG A 115 1.193 -12.961 -10.570 1.00 0.00 C ATOM 1635 NH1 ARG A 115 0.959 -13.954 -11.384 1.00 0.00 N ATOM 1636 NH2 ARG A 115 1.234 -13.169 -9.283 1.00 0.00 N ATOM 0 H ARG A 115 0.822 -8.205 -7.717 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.346 -7.583 -10.377 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.058 -8.363 -10.738 1.00 0.00 H new ATOM 0 HB3 ARG A 115 1.625 -9.869 -9.955 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.242 -8.971 -12.119 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.363 -9.427 -12.656 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -0.641 -11.127 -11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 115 0.064 -11.460 -12.682 1.00 0.00 H new ATOM 0 HE ARG A 115 2.308 -11.325 -10.966 1.00 0.00 H new ATOM 0 HH11 ARG A 115 0.929 -13.792 -12.391 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.806 -14.892 -11.014 1.00 0.00 H new ATOM 0 HH21 ARG A 115 1.419 -12.394 -8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 115 1.081 -14.107 -8.913 1.00 0.00 H new ATOM 1650 N ARG A 116 -2.132 -8.976 -9.225 1.00 0.00 N ATOM 1651 CA ARG A 116 -3.153 -9.908 -8.678 1.00 0.00 C ATOM 1652 C ARG A 116 -3.604 -10.869 -9.780 1.00 0.00 C ATOM 1653 O ARG A 116 -3.676 -10.510 -10.938 1.00 0.00 O ATOM 1654 CB ARG A 116 -4.356 -9.104 -8.180 1.00 0.00 C ATOM 1655 CG ARG A 116 -4.746 -9.579 -6.780 1.00 0.00 C ATOM 1656 CD ARG A 116 -5.567 -10.865 -6.887 1.00 0.00 C ATOM 1657 NE ARG A 116 -5.094 -11.841 -5.864 1.00 0.00 N ATOM 1658 CZ ARG A 116 -5.723 -11.949 -4.724 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -6.841 -12.621 -4.656 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -5.231 -11.387 -3.655 1.00 0.00 N ATOM 0 H ARG A 116 -2.497 -8.106 -9.613 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.726 -10.476 -7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.113 -8.042 -8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -5.196 -9.226 -8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -3.852 -9.755 -6.182 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -5.324 -8.808 -6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.625 -10.648 -6.737 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -5.468 -11.291 -7.885 1.00 0.00 H new ATOM 0 HE ARG A 116 -4.279 -12.424 -6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -7.223 -13.061 -5.493 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -7.332 -12.705 -3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -4.357 -10.864 -3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -5.720 -11.470 -2.764 1.00 0.00 H new