USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=13 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 Single : A 29 THR OG1 : rot -29:sc= 0.463 USER MOD Single : A 31 CYS SG : rot 180:sc= -7.47! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -116:sc= 0.704 (180deg=-0.253) USER MOD Single : A 45 SER OG : rot -82:sc= -2.67! USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -2.19! C(o=-2.2!,f=-1.7!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -7.04! C(o=-7!,f=-5!) USER MOD Single : A 84 GLN : amide:sc= -7.95! C(o=-8!,f=-15!) USER MOD Single : A 88 THR OG1 : rot -150:sc= -2.28! USER MOD Single : A 90 MET CE :methyl 163:sc= -9.09! (180deg=-11.2!) USER MOD Single : A 91 GLN : amide:sc= -0.777! C(o=-0.78!,f=-0.74!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0764 USER MOD Single : A 100 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3.5!) USER MOD Single : A 103 LYS NZ :NH3+ 155:sc= 0.171 (180deg=-0.167) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 349 N THR A 29 -3.026 -9.407 -13.503 1.00 0.00 N ATOM 350 CA THR A 29 -3.310 -7.948 -13.614 1.00 0.00 C ATOM 351 C THR A 29 -2.289 -7.170 -12.784 1.00 0.00 C ATOM 352 O THR A 29 -1.950 -7.553 -11.681 1.00 0.00 O ATOM 353 CB THR A 29 -4.719 -7.663 -13.088 1.00 0.00 C ATOM 354 OG1 THR A 29 -4.855 -8.206 -11.782 1.00 0.00 O ATOM 355 CG2 THR A 29 -5.754 -8.302 -14.017 1.00 0.00 C ATOM 0 HA THR A 29 -3.243 -7.640 -14.657 1.00 0.00 H new ATOM 0 HB THR A 29 -4.881 -6.586 -13.054 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.273 -8.989 -11.691 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.756 -8.098 -13.640 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.651 -7.885 -15.019 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.593 -9.379 -14.055 1.00 0.00 H new ATOM 363 N VAL A 30 -1.792 -6.078 -13.301 1.00 0.00 N ATOM 364 CA VAL A 30 -0.795 -5.284 -12.532 1.00 0.00 C ATOM 365 C VAL A 30 -1.337 -3.879 -12.282 1.00 0.00 C ATOM 366 O VAL A 30 -2.013 -3.300 -13.109 1.00 0.00 O ATOM 367 CB VAL A 30 0.509 -5.174 -13.328 1.00 0.00 C ATOM 368 CG1 VAL A 30 1.406 -4.092 -12.713 1.00 0.00 C ATOM 369 CG2 VAL A 30 1.243 -6.515 -13.295 1.00 0.00 C ATOM 0 H VAL A 30 -2.033 -5.704 -14.219 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.606 -5.784 -11.582 1.00 0.00 H new ATOM 0 HB VAL A 30 0.276 -4.908 -14.359 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.332 -4.019 -13.284 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.888 -3.133 -12.737 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.636 -4.354 -11.680 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.171 -6.436 -13.862 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.470 -6.780 -12.262 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.612 -7.286 -13.737 1.00 0.00 H new ATOM 379 N CYS A 31 -1.023 -3.324 -11.150 1.00 0.00 N ATOM 380 CA CYS A 31 -1.493 -1.943 -10.838 1.00 0.00 C ATOM 381 C CYS A 31 -0.347 -1.171 -10.178 1.00 0.00 C ATOM 382 O CYS A 31 -0.209 -1.152 -8.972 1.00 0.00 O ATOM 383 CB CYS A 31 -2.699 -1.983 -9.890 1.00 0.00 C ATOM 384 SG CYS A 31 -3.642 -3.508 -10.148 1.00 0.00 S ATOM 0 H CYS A 31 -0.460 -3.765 -10.423 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.798 -1.451 -11.761 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.360 -1.926 -8.855 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.338 -1.117 -10.065 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.659 -3.531 -9.339 1.00 0.00 H new ATOM 390 N THR A 32 0.483 -0.545 -10.969 1.00 0.00 N ATOM 391 CA THR A 32 1.632 0.220 -10.405 1.00 0.00 C ATOM 392 C THR A 32 1.113 1.472 -9.686 1.00 0.00 C ATOM 393 O THR A 32 0.342 2.236 -10.231 1.00 0.00 O ATOM 394 CB THR A 32 2.566 0.627 -11.547 1.00 0.00 C ATOM 395 OG1 THR A 32 2.625 -0.419 -12.509 1.00 0.00 O ATOM 396 CG2 THR A 32 3.966 0.893 -10.998 1.00 0.00 C ATOM 0 H THR A 32 0.414 -0.531 -11.987 1.00 0.00 H new ATOM 0 HA THR A 32 2.175 -0.399 -9.691 1.00 0.00 H new ATOM 0 HB THR A 32 2.185 1.533 -12.017 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.222 -0.157 -13.241 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.628 1.182 -11.814 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.922 1.697 -10.264 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.349 -0.011 -10.524 1.00 0.00 H new ATOM 404 N VAL A 33 1.513 1.676 -8.455 1.00 0.00 N ATOM 405 CA VAL A 33 1.023 2.866 -7.695 1.00 0.00 C ATOM 406 C VAL A 33 2.120 3.402 -6.758 1.00 0.00 C ATOM 407 O VAL A 33 3.059 2.709 -6.424 1.00 0.00 O ATOM 408 CB VAL A 33 -0.180 2.454 -6.838 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.454 3.048 -7.431 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.313 0.927 -6.785 1.00 0.00 C ATOM 0 H VAL A 33 2.156 1.071 -7.945 1.00 0.00 H new ATOM 0 HA VAL A 33 0.746 3.642 -8.409 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.028 2.828 -5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.309 2.755 -6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.375 4.135 -7.448 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.589 2.679 -8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.173 0.658 -6.172 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.451 0.539 -7.794 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.590 0.498 -6.352 1.00 0.00 H new ATOM 420 N THR A 34 1.990 4.631 -6.311 1.00 0.00 N ATOM 421 CA THR A 34 2.995 5.202 -5.371 1.00 0.00 C ATOM 422 C THR A 34 2.323 5.616 -4.067 1.00 0.00 C ATOM 423 O THR A 34 1.320 6.301 -4.062 1.00 0.00 O ATOM 424 CB THR A 34 3.652 6.449 -5.957 1.00 0.00 C ATOM 425 OG1 THR A 34 2.790 7.056 -6.907 1.00 0.00 O ATOM 426 CG2 THR A 34 5.007 6.107 -6.575 1.00 0.00 C ATOM 0 H THR A 34 1.227 5.260 -6.561 1.00 0.00 H new ATOM 0 HA THR A 34 3.745 4.430 -5.197 1.00 0.00 H new ATOM 0 HB THR A 34 3.828 7.163 -5.153 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.220 7.856 -7.275 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.458 7.010 -6.987 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.662 5.692 -5.809 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.870 5.375 -7.371 1.00 0.00 H new ATOM 434 N LEU A 35 2.900 5.251 -2.963 1.00 0.00 N ATOM 435 CA LEU A 35 2.334 5.671 -1.660 1.00 0.00 C ATOM 436 C LEU A 35 3.166 6.852 -1.158 1.00 0.00 C ATOM 437 O LEU A 35 4.266 7.076 -1.618 1.00 0.00 O ATOM 438 CB LEU A 35 2.385 4.513 -0.657 1.00 0.00 C ATOM 439 CG LEU A 35 1.079 3.718 -0.735 1.00 0.00 C ATOM 440 CD1 LEU A 35 -0.073 4.574 -0.203 1.00 0.00 C ATOM 441 CD2 LEU A 35 0.799 3.339 -2.191 1.00 0.00 C ATOM 0 H LEU A 35 3.742 4.678 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 35 1.289 5.961 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.233 3.864 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.530 4.897 0.353 1.00 0.00 H new ATOM 0 HG LEU A 35 1.169 2.814 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.003 4.008 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.125 4.846 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.162 5.478 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.131 2.773 -2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.710 4.244 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.618 2.730 -2.572 1.00 0.00 H new ATOM 453 N GLU A 36 2.668 7.617 -0.239 1.00 0.00 N ATOM 454 CA GLU A 36 3.469 8.768 0.253 1.00 0.00 C ATOM 455 C GLU A 36 3.947 8.464 1.674 1.00 0.00 C ATOM 456 O GLU A 36 3.187 8.526 2.619 1.00 0.00 O ATOM 457 CB GLU A 36 2.606 10.030 0.258 1.00 0.00 C ATOM 458 CG GLU A 36 1.324 9.767 1.051 1.00 0.00 C ATOM 459 CD GLU A 36 1.182 10.814 2.158 1.00 0.00 C ATOM 460 OE1 GLU A 36 1.824 11.848 2.055 1.00 0.00 O ATOM 461 OE2 GLU A 36 0.437 10.564 3.090 1.00 0.00 O ATOM 0 H GLU A 36 1.751 7.501 0.192 1.00 0.00 H new ATOM 0 HA GLU A 36 4.327 8.928 -0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.157 10.859 0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.361 10.320 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.460 9.805 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.351 8.767 1.484 1.00 0.00 H new ATOM 468 N LYS A 37 5.196 8.123 1.837 1.00 0.00 N ATOM 469 CA LYS A 37 5.693 7.806 3.215 1.00 0.00 C ATOM 470 C LYS A 37 6.033 9.100 3.962 1.00 0.00 C ATOM 471 O LYS A 37 6.774 9.934 3.481 1.00 0.00 O ATOM 472 CB LYS A 37 6.943 6.899 3.158 1.00 0.00 C ATOM 473 CG LYS A 37 7.694 6.968 4.492 1.00 0.00 C ATOM 474 CD LYS A 37 8.658 5.787 4.602 1.00 0.00 C ATOM 475 CE LYS A 37 10.089 6.310 4.734 1.00 0.00 C ATOM 476 NZ LYS A 37 10.431 6.453 6.178 1.00 0.00 N ATOM 0 H LYS A 37 5.888 8.050 1.091 1.00 0.00 H new ATOM 0 HA LYS A 37 4.902 7.275 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.648 5.871 2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.597 7.215 2.345 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.244 7.906 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.986 6.950 5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.402 5.174 5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.572 5.150 3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.785 5.625 4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.185 7.271 4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.601 7.455 6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.643 6.100 6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.288 5.903 6.388 1.00 0.00 H new ATOM 528 N GLY A 41 4.807 4.134 7.497 1.00 0.00 N ATOM 529 CA GLY A 41 5.191 2.943 6.682 1.00 0.00 C ATOM 530 C GLY A 41 4.154 2.720 5.580 1.00 0.00 C ATOM 531 O GLY A 41 3.410 1.759 5.595 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.177 3.093 6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.256 2.060 7.318 1.00 0.00 H new ATOM 535 N LEU A 42 4.100 3.604 4.620 1.00 0.00 N ATOM 536 CA LEU A 42 3.113 3.461 3.499 1.00 0.00 C ATOM 537 C LEU A 42 1.755 3.019 4.033 1.00 0.00 C ATOM 538 O LEU A 42 0.947 2.471 3.312 1.00 0.00 O ATOM 539 CB LEU A 42 3.607 2.427 2.483 1.00 0.00 C ATOM 540 CG LEU A 42 5.077 2.108 2.736 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.529 1.008 1.777 1.00 0.00 C ATOM 542 CD2 LEU A 42 5.914 3.366 2.501 1.00 0.00 C ATOM 0 H LEU A 42 4.700 4.427 4.560 1.00 0.00 H new ATOM 0 HA LEU A 42 3.013 4.432 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.011 1.518 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.478 2.810 1.471 1.00 0.00 H new ATOM 0 HG LEU A 42 5.208 1.770 3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.579 0.778 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.929 0.113 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.402 1.347 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.966 3.142 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.785 3.702 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.589 4.152 3.182 1.00 0.00 H new ATOM 554 N GLY A 43 1.493 3.246 5.285 1.00 0.00 N ATOM 555 CA GLY A 43 0.186 2.833 5.851 1.00 0.00 C ATOM 556 C GLY A 43 -0.027 1.333 5.634 1.00 0.00 C ATOM 557 O GLY A 43 -1.101 0.818 5.874 1.00 0.00 O ATOM 0 H GLY A 43 2.128 3.700 5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.152 3.063 6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.619 3.395 5.378 1.00 0.00 H new ATOM 561 N PHE A 44 0.979 0.611 5.196 1.00 0.00 N ATOM 562 CA PHE A 44 0.791 -0.840 4.997 1.00 0.00 C ATOM 563 C PHE A 44 2.065 -1.583 5.368 1.00 0.00 C ATOM 564 O PHE A 44 3.160 -1.059 5.319 1.00 0.00 O ATOM 565 CB PHE A 44 0.392 -1.143 3.541 1.00 0.00 C ATOM 566 CG PHE A 44 1.588 -1.079 2.611 1.00 0.00 C ATOM 567 CD1 PHE A 44 2.626 -2.021 2.706 1.00 0.00 C ATOM 568 CD2 PHE A 44 1.643 -0.083 1.630 1.00 0.00 C ATOM 569 CE1 PHE A 44 3.713 -1.957 1.826 1.00 0.00 C ATOM 570 CE2 PHE A 44 2.727 -0.024 0.750 1.00 0.00 C ATOM 571 CZ PHE A 44 3.760 -0.957 0.848 1.00 0.00 C ATOM 0 H PHE A 44 1.908 0.970 4.973 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.016 -1.180 5.645 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.061 -2.133 3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.363 -0.428 3.214 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.585 -2.795 3.458 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.846 0.642 1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.514 -2.678 1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.765 0.745 -0.007 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.597 -0.907 0.168 1.00 0.00 H new ATOM 581 N SER A 45 1.902 -2.811 5.722 1.00 0.00 N ATOM 582 CA SER A 45 3.056 -3.674 6.100 1.00 0.00 C ATOM 583 C SER A 45 3.119 -4.824 5.098 1.00 0.00 C ATOM 584 O SER A 45 2.116 -5.210 4.525 1.00 0.00 O ATOM 585 CB SER A 45 2.843 -4.229 7.508 1.00 0.00 C ATOM 586 OG SER A 45 1.448 -4.328 7.769 1.00 0.00 O ATOM 0 H SER A 45 0.995 -3.275 5.770 1.00 0.00 H new ATOM 0 HA SER A 45 3.984 -3.103 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.312 -5.209 7.600 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.317 -3.578 8.243 1.00 0.00 H new ATOM 0 HG SER A 45 1.104 -3.453 8.046 1.00 0.00 H new ATOM 592 N LEU A 46 4.282 -5.360 4.860 1.00 0.00 N ATOM 593 CA LEU A 46 4.391 -6.462 3.862 1.00 0.00 C ATOM 594 C LEU A 46 4.629 -7.809 4.543 1.00 0.00 C ATOM 595 O LEU A 46 5.337 -7.903 5.526 1.00 0.00 O ATOM 596 CB LEU A 46 5.571 -6.183 2.926 1.00 0.00 C ATOM 597 CG LEU A 46 5.060 -5.812 1.533 1.00 0.00 C ATOM 598 CD1 LEU A 46 3.857 -4.875 1.654 1.00 0.00 C ATOM 599 CD2 LEU A 46 6.180 -5.112 0.761 1.00 0.00 C ATOM 0 H LEU A 46 5.156 -5.087 5.309 1.00 0.00 H new ATOM 0 HA LEU A 46 3.453 -6.506 3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.179 -5.372 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.212 -7.062 2.864 1.00 0.00 H new ATOM 0 HG LEU A 46 4.755 -6.715 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.497 -4.614 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.062 -5.374 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.153 -3.969 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.824 -4.844 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.481 -4.210 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.035 -5.783 0.672 1.00 0.00 H new ATOM 611 N GLU A 47 4.083 -8.864 3.995 1.00 0.00 N ATOM 612 CA GLU A 47 4.333 -10.207 4.583 1.00 0.00 C ATOM 613 C GLU A 47 5.084 -11.026 3.546 1.00 0.00 C ATOM 614 O GLU A 47 5.049 -10.717 2.378 1.00 0.00 O ATOM 615 CB GLU A 47 3.031 -10.901 4.963 1.00 0.00 C ATOM 616 CG GLU A 47 2.712 -10.574 6.424 1.00 0.00 C ATOM 617 CD GLU A 47 1.778 -11.639 6.998 1.00 0.00 C ATOM 618 OE1 GLU A 47 2.281 -12.637 7.486 1.00 0.00 O ATOM 619 OE2 GLU A 47 0.577 -11.437 6.942 1.00 0.00 O ATOM 0 H GLU A 47 3.480 -8.851 3.172 1.00 0.00 H new ATOM 0 HA GLU A 47 4.917 -10.106 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.221 -10.567 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.123 -11.979 4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.632 -10.531 7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.245 -9.591 6.493 1.00 0.00 H new ATOM 771 N LEU A 59 6.215 -11.866 -1.292 1.00 0.00 N ATOM 772 CA LEU A 59 5.712 -10.977 -0.207 1.00 0.00 C ATOM 773 C LEU A 59 4.381 -10.342 -0.621 1.00 0.00 C ATOM 774 O LEU A 59 4.105 -10.158 -1.789 1.00 0.00 O ATOM 775 CB LEU A 59 6.730 -9.878 0.092 1.00 0.00 C ATOM 776 CG LEU A 59 7.842 -10.438 0.980 1.00 0.00 C ATOM 777 CD1 LEU A 59 9.070 -10.758 0.128 1.00 0.00 C ATOM 778 CD2 LEU A 59 8.216 -9.400 2.040 1.00 0.00 C ATOM 0 HA LEU A 59 5.561 -11.578 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.151 -9.495 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.241 -9.040 0.589 1.00 0.00 H new ATOM 0 HG LEU A 59 7.492 -11.349 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.860 -11.157 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.806 -11.497 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.421 -9.849 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.009 -9.797 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.564 -8.490 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.342 -9.173 2.651 1.00 0.00 H new ATOM 790 N THR A 60 3.549 -10.026 0.337 1.00 0.00 N ATOM 791 CA THR A 60 2.221 -9.424 0.013 1.00 0.00 C ATOM 792 C THR A 60 1.780 -8.462 1.143 1.00 0.00 C ATOM 793 O THR A 60 2.241 -8.585 2.260 1.00 0.00 O ATOM 794 CB THR A 60 1.221 -10.565 -0.083 1.00 0.00 C ATOM 795 OG1 THR A 60 1.628 -11.602 0.797 1.00 0.00 O ATOM 796 CG2 THR A 60 1.210 -11.067 -1.515 1.00 0.00 C ATOM 0 H THR A 60 3.732 -10.159 1.332 1.00 0.00 H new ATOM 0 HA THR A 60 2.278 -8.862 -0.919 1.00 0.00 H new ATOM 0 HB THR A 60 0.221 -10.233 0.195 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.990 -12.344 0.746 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.498 -11.887 -1.608 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.918 -10.256 -2.183 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.206 -11.418 -1.785 1.00 0.00 H new ATOM 804 N ILE A 61 0.878 -7.521 0.896 1.00 0.00 N ATOM 805 CA ILE A 61 0.442 -6.623 2.009 1.00 0.00 C ATOM 806 C ILE A 61 -0.590 -7.347 2.860 1.00 0.00 C ATOM 807 O ILE A 61 -1.657 -7.711 2.407 1.00 0.00 O ATOM 808 CB ILE A 61 -0.183 -5.355 1.453 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.897 -4.446 0.877 1.00 0.00 C ATOM 810 CG2 ILE A 61 -0.904 -4.597 2.564 1.00 0.00 C ATOM 811 CD1 ILE A 61 0.233 -3.230 0.226 1.00 0.00 C ATOM 0 H ILE A 61 0.441 -7.347 -0.009 1.00 0.00 H new ATOM 0 HA ILE A 61 1.312 -6.359 2.610 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.889 -5.637 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.578 -4.125 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.492 -4.988 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.349 -3.689 2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.687 -5.227 2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.192 -4.332 3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.000 -2.575 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.431 -3.562 -0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.343 -2.686 0.974 1.00 0.00 H new ATOM 823 N ASN A 62 -0.263 -7.556 4.089 1.00 0.00 N ATOM 824 CA ASN A 62 -1.217 -8.271 5.014 1.00 0.00 C ATOM 825 C ASN A 62 -1.709 -7.363 6.152 1.00 0.00 C ATOM 826 O ASN A 62 -2.493 -7.791 6.977 1.00 0.00 O ATOM 827 CB ASN A 62 -0.552 -9.509 5.622 1.00 0.00 C ATOM 828 CG ASN A 62 -1.418 -10.739 5.347 1.00 0.00 C ATOM 829 OD1 ASN A 62 -2.597 -10.743 5.641 1.00 0.00 O ATOM 830 ND2 ASN A 62 -0.879 -11.789 4.791 1.00 0.00 N ATOM 0 H ASN A 62 0.620 -7.270 4.513 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.076 -8.566 4.411 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.442 -9.648 5.196 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.422 -9.375 6.696 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.447 -12.615 4.603 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.111 -11.784 4.545 1.00 0.00 H new ATOM 837 N ARG A 63 -1.289 -6.129 6.222 1.00 0.00 N ATOM 838 CA ARG A 63 -1.785 -5.262 7.325 1.00 0.00 C ATOM 839 C ARG A 63 -1.803 -3.811 6.858 1.00 0.00 C ATOM 840 O ARG A 63 -0.857 -3.073 7.054 1.00 0.00 O ATOM 841 CB ARG A 63 -0.878 -5.406 8.546 1.00 0.00 C ATOM 842 CG ARG A 63 -1.632 -6.160 9.644 1.00 0.00 C ATOM 843 CD ARG A 63 -0.761 -6.250 10.896 1.00 0.00 C ATOM 844 NE ARG A 63 -0.955 -7.580 11.538 1.00 0.00 N ATOM 845 CZ ARG A 63 -2.080 -7.856 12.140 1.00 0.00 C ATOM 846 NH1 ARG A 63 -2.266 -7.487 13.378 1.00 0.00 N ATOM 847 NH2 ARG A 63 -3.018 -8.504 11.506 1.00 0.00 N ATOM 0 H ARG A 63 -0.635 -5.690 5.574 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.795 -5.566 7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.032 -5.943 8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.573 -4.423 8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.566 -5.648 9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.894 -7.160 9.298 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.288 -6.110 10.634 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.024 -5.455 11.594 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.209 -8.275 11.507 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.532 -6.983 13.876 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.145 -7.703 13.848 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.873 -8.795 10.539 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.897 -8.719 11.977 1.00 0.00 H new ATOM 861 N ILE A 64 -2.868 -3.397 6.232 1.00 0.00 N ATOM 862 CA ILE A 64 -2.937 -1.999 5.745 1.00 0.00 C ATOM 863 C ILE A 64 -3.651 -1.126 6.759 1.00 0.00 C ATOM 864 O ILE A 64 -4.560 -1.548 7.445 1.00 0.00 O ATOM 865 CB ILE A 64 -3.654 -1.964 4.403 1.00 0.00 C ATOM 866 CG1 ILE A 64 -2.815 -2.794 3.434 1.00 0.00 C ATOM 867 CG2 ILE A 64 -3.770 -0.515 3.907 1.00 0.00 C ATOM 868 CD1 ILE A 64 -2.821 -2.180 2.037 1.00 0.00 C ATOM 0 H ILE A 64 -3.691 -3.968 6.038 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.927 -1.610 5.615 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.664 -2.367 4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.791 -2.861 3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.205 -3.811 3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.284 -0.499 2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.335 0.073 4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.773 -0.089 3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.216 -2.792 1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.844 -2.137 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.408 -1.172 2.081 1.00 0.00 H new ATOM 880 N PHE A 65 -3.225 0.091 6.860 1.00 0.00 N ATOM 881 CA PHE A 65 -3.848 1.023 7.842 1.00 0.00 C ATOM 882 C PHE A 65 -4.657 2.092 7.108 1.00 0.00 C ATOM 883 O PHE A 65 -5.854 2.207 7.286 1.00 0.00 O ATOM 884 CB PHE A 65 -2.752 1.690 8.676 1.00 0.00 C ATOM 885 CG PHE A 65 -1.629 0.694 8.922 1.00 0.00 C ATOM 886 CD1 PHE A 65 -1.929 -0.639 9.248 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.287 1.098 8.819 1.00 0.00 C ATOM 888 CE1 PHE A 65 -0.892 -1.562 9.468 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.746 0.172 9.041 1.00 0.00 C ATOM 890 CZ PHE A 65 0.441 -1.153 9.364 1.00 0.00 C ATOM 0 H PHE A 65 -2.468 0.490 6.305 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.514 0.461 8.497 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.367 2.568 8.156 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.161 2.035 9.625 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.958 -0.955 9.330 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.049 2.121 8.569 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.125 -2.587 9.717 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.777 0.484 8.962 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.237 -1.863 9.534 1.00 0.00 H new ATOM 1003 N GLU A 74 -7.532 4.387 -4.187 1.00 0.00 N ATOM 1004 CA GLU A 74 -7.117 3.150 -3.464 1.00 0.00 C ATOM 1005 C GLU A 74 -5.785 2.654 -4.028 1.00 0.00 C ATOM 1006 O GLU A 74 -5.746 1.801 -4.893 1.00 0.00 O ATOM 1007 CB GLU A 74 -8.184 2.069 -3.649 1.00 0.00 C ATOM 1008 CG GLU A 74 -8.997 1.931 -2.362 1.00 0.00 C ATOM 1009 CD GLU A 74 -10.424 2.427 -2.606 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -10.898 2.279 -3.720 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -11.018 2.947 -1.674 1.00 0.00 O ATOM 0 HA GLU A 74 -7.003 3.370 -2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.840 2.329 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.714 1.118 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.012 0.890 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.532 2.507 -1.562 1.00 0.00 H new ATOM 1018 N THR A 75 -4.692 3.185 -3.553 1.00 0.00 N ATOM 1019 CA THR A 75 -3.367 2.747 -4.070 1.00 0.00 C ATOM 1020 C THR A 75 -2.820 1.614 -3.206 1.00 0.00 C ATOM 1021 O THR A 75 -1.628 1.390 -3.133 1.00 0.00 O ATOM 1022 CB THR A 75 -2.403 3.931 -4.047 1.00 0.00 C ATOM 1023 OG1 THR A 75 -2.208 4.361 -2.705 1.00 0.00 O ATOM 1024 CG2 THR A 75 -2.996 5.071 -4.870 1.00 0.00 C ATOM 0 H THR A 75 -4.660 3.903 -2.829 1.00 0.00 H new ATOM 0 HA THR A 75 -3.476 2.386 -5.093 1.00 0.00 H new ATOM 0 HB THR A 75 -1.443 3.633 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.588 5.120 -2.691 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.314 5.921 -4.859 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.145 4.739 -5.897 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.953 5.369 -4.442 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.687 0.894 -2.564 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.235 -0.240 -1.708 1.00 0.00 C ATOM 1034 C VAL A 76 -4.201 -1.412 -1.872 1.00 0.00 C ATOM 1035 O VAL A 76 -5.332 -1.241 -2.281 1.00 0.00 O ATOM 1036 CB VAL A 76 -3.208 0.184 -0.238 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -1.830 0.747 0.116 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -4.279 1.245 0.014 1.00 0.00 C ATOM 0 H VAL A 76 -4.696 1.039 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.231 -0.536 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.410 -0.686 0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.818 1.047 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.071 -0.017 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.618 1.613 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.256 1.544 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.086 2.114 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.260 0.835 -0.225 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.767 -2.598 -1.557 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.670 -3.778 -1.698 1.00 0.00 C ATOM 1050 C GLN A 77 -4.282 -4.839 -0.663 1.00 0.00 C ATOM 1051 O GLN A 77 -3.114 -5.028 -0.388 1.00 0.00 O ATOM 1052 CB GLN A 77 -4.552 -4.375 -3.110 1.00 0.00 C ATOM 1053 CG GLN A 77 -3.346 -3.776 -3.843 1.00 0.00 C ATOM 1054 CD GLN A 77 -3.752 -2.451 -4.488 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -4.756 -2.375 -5.166 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -3.010 -1.394 -4.303 1.00 0.00 N ATOM 0 H GLN A 77 -2.831 -2.804 -1.209 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.699 -3.459 -1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.446 -5.458 -3.046 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.464 -4.176 -3.673 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.524 -3.617 -3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.988 -4.469 -4.604 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.166 -1.457 -3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.274 -0.505 -4.728 1.00 0.00 H new ATOM 1065 N PRO A 78 -5.270 -5.504 -0.120 1.00 0.00 N ATOM 1066 CA PRO A 78 -5.054 -6.555 0.887 1.00 0.00 C ATOM 1067 C PRO A 78 -4.638 -7.864 0.207 1.00 0.00 C ATOM 1068 O PRO A 78 -5.382 -8.439 -0.562 1.00 0.00 O ATOM 1069 CB PRO A 78 -6.423 -6.698 1.557 1.00 0.00 C ATOM 1070 CG PRO A 78 -7.463 -6.157 0.546 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.692 -5.271 -0.451 1.00 0.00 C ATOM 0 HA PRO A 78 -4.262 -6.315 1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.627 -7.740 1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.459 -6.136 2.490 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.963 -6.976 0.029 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.236 -5.583 1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.911 -5.548 -1.482 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.960 -4.220 -0.340 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.459 -8.344 0.493 1.00 0.00 N ATOM 1080 CA GLY A 79 -3.006 -9.632 -0.138 1.00 0.00 C ATOM 1081 C GLY A 79 -2.385 -9.379 -1.521 1.00 0.00 C ATOM 1082 O GLY A 79 -2.025 -10.309 -2.215 1.00 0.00 O ATOM 0 H GLY A 79 -2.790 -7.910 1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.277 -10.121 0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.853 -10.312 -0.234 1.00 0.00 H new ATOM 1086 N ASP A 80 -2.253 -8.146 -1.940 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.658 -7.885 -3.278 1.00 0.00 C ATOM 1088 C ASP A 80 -0.246 -8.494 -3.336 1.00 0.00 C ATOM 1089 O ASP A 80 0.519 -8.369 -2.400 1.00 0.00 O ATOM 1090 CB ASP A 80 -1.569 -6.374 -3.494 1.00 0.00 C ATOM 1091 CG ASP A 80 -0.952 -5.718 -2.259 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -0.572 -6.444 -1.355 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -0.873 -4.502 -2.239 1.00 0.00 O ATOM 0 H ASP A 80 -2.530 -7.317 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.278 -8.334 -4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.964 -6.157 -4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.561 -5.963 -3.680 1.00 0.00 H new ATOM 1098 N GLU A 81 0.125 -9.138 -4.422 1.00 0.00 N ATOM 1099 CA GLU A 81 1.511 -9.720 -4.487 1.00 0.00 C ATOM 1100 C GLU A 81 2.486 -8.625 -4.943 1.00 0.00 C ATOM 1101 O GLU A 81 3.076 -8.714 -6.000 1.00 0.00 O ATOM 1102 CB GLU A 81 1.567 -10.895 -5.486 1.00 0.00 C ATOM 1103 CG GLU A 81 2.781 -11.772 -5.173 1.00 0.00 C ATOM 1104 CD GLU A 81 3.369 -12.311 -6.480 1.00 0.00 C ATOM 1105 OE1 GLU A 81 2.761 -12.092 -7.515 1.00 0.00 O ATOM 1106 OE2 GLU A 81 4.416 -12.934 -6.424 1.00 0.00 O ATOM 0 H GLU A 81 -0.455 -9.284 -5.248 1.00 0.00 H new ATOM 0 HA GLU A 81 1.785 -10.091 -3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.653 -11.485 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.632 -10.516 -6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.532 -11.194 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.489 -12.598 -4.525 1.00 0.00 H new ATOM 1113 N ILE A 82 2.659 -7.591 -4.157 1.00 0.00 N ATOM 1114 CA ILE A 82 3.603 -6.491 -4.556 1.00 0.00 C ATOM 1115 C ILE A 82 5.023 -7.070 -4.703 1.00 0.00 C ATOM 1116 O ILE A 82 5.567 -7.616 -3.763 1.00 0.00 O ATOM 1117 CB ILE A 82 3.603 -5.409 -3.469 1.00 0.00 C ATOM 1118 CG1 ILE A 82 2.180 -5.232 -2.924 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.086 -4.086 -4.066 1.00 0.00 C ATOM 1120 CD1 ILE A 82 2.077 -3.914 -2.153 1.00 0.00 C ATOM 0 H ILE A 82 2.192 -7.458 -3.260 1.00 0.00 H new ATOM 0 HA ILE A 82 3.286 -6.057 -5.504 1.00 0.00 H new ATOM 0 HB ILE A 82 4.269 -5.708 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.463 -5.240 -3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.925 -6.066 -2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.086 -3.317 -3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.097 -4.210 -4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.420 -3.787 -4.875 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.064 -3.795 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.781 -3.923 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.312 -3.084 -2.819 1.00 0.00 H new ATOM 1132 N LEU A 83 5.631 -6.983 -5.869 1.00 0.00 N ATOM 1133 CA LEU A 83 7.005 -7.563 -6.024 1.00 0.00 C ATOM 1134 C LEU A 83 8.080 -6.619 -5.453 1.00 0.00 C ATOM 1135 O LEU A 83 9.034 -7.065 -4.847 1.00 0.00 O ATOM 1136 CB LEU A 83 7.300 -7.825 -7.505 1.00 0.00 C ATOM 1137 CG LEU A 83 6.582 -9.098 -7.954 1.00 0.00 C ATOM 1138 CD1 LEU A 83 7.223 -10.310 -7.277 1.00 0.00 C ATOM 1139 CD2 LEU A 83 5.108 -9.015 -7.556 1.00 0.00 C ATOM 0 H LEU A 83 5.242 -6.544 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 83 7.034 -8.500 -5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.971 -6.978 -8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.374 -7.928 -7.660 1.00 0.00 H new ATOM 0 HG LEU A 83 6.664 -9.200 -9.036 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.712 -11.218 -7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.275 -10.369 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.140 -10.209 -6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.593 -9.921 -7.875 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.029 -8.914 -6.474 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.650 -8.150 -8.035 1.00 0.00 H new ATOM 1151 N GLN A 84 7.955 -5.327 -5.635 1.00 0.00 N ATOM 1152 CA GLN A 84 8.998 -4.408 -5.087 1.00 0.00 C ATOM 1153 C GLN A 84 8.360 -3.089 -4.652 1.00 0.00 C ATOM 1154 O GLN A 84 7.307 -2.709 -5.123 1.00 0.00 O ATOM 1155 CB GLN A 84 10.084 -4.156 -6.146 1.00 0.00 C ATOM 1156 CG GLN A 84 9.627 -3.108 -7.170 1.00 0.00 C ATOM 1157 CD GLN A 84 8.896 -3.798 -8.321 1.00 0.00 C ATOM 1158 OE1 GLN A 84 8.244 -4.804 -8.126 1.00 0.00 O ATOM 1159 NE2 GLN A 84 8.974 -3.292 -9.521 1.00 0.00 N ATOM 0 H GLN A 84 7.187 -4.875 -6.132 1.00 0.00 H new ATOM 0 HA GLN A 84 9.460 -4.873 -4.216 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.999 -3.818 -5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.321 -5.089 -6.657 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.970 -2.381 -6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.488 -2.558 -7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.522 -2.447 -9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.487 -3.741 -10.297 1.00 0.00 H new ATOM 1168 N LEU A 85 8.991 -2.391 -3.746 1.00 0.00 N ATOM 1169 CA LEU A 85 8.425 -1.100 -3.271 1.00 0.00 C ATOM 1170 C LEU A 85 9.350 0.049 -3.680 1.00 0.00 C ATOM 1171 O LEU A 85 10.368 -0.149 -4.312 1.00 0.00 O ATOM 1172 CB LEU A 85 8.308 -1.138 -1.746 1.00 0.00 C ATOM 1173 CG LEU A 85 6.853 -1.360 -1.336 1.00 0.00 C ATOM 1174 CD1 LEU A 85 6.298 -2.571 -2.083 1.00 0.00 C ATOM 1175 CD2 LEU A 85 6.784 -1.621 0.170 1.00 0.00 C ATOM 0 H LEU A 85 9.875 -2.661 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 85 7.442 -0.946 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.933 -1.936 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.675 -0.203 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 85 6.265 -0.475 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.260 -2.733 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.351 -2.392 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.886 -3.454 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.747 -1.780 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.370 -2.508 0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.186 -0.762 0.707 1.00 0.00 H new ATOM 1187 N GLY A 86 8.994 1.251 -3.319 1.00 0.00 N ATOM 1188 CA GLY A 86 9.832 2.432 -3.675 1.00 0.00 C ATOM 1189 C GLY A 86 11.309 2.157 -3.384 1.00 0.00 C ATOM 1190 O GLY A 86 12.181 2.808 -3.927 1.00 0.00 O ATOM 0 H GLY A 86 8.151 1.468 -2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.703 2.670 -4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.501 3.303 -3.109 1.00 0.00 H new ATOM 1194 N GLY A 87 11.614 1.215 -2.531 1.00 0.00 N ATOM 1195 CA GLY A 87 13.062 0.951 -2.234 1.00 0.00 C ATOM 1196 C GLY A 87 13.257 -0.460 -1.672 1.00 0.00 C ATOM 1197 O GLY A 87 14.028 -0.664 -0.757 1.00 0.00 O ATOM 0 H GLY A 87 10.945 0.627 -2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.651 1.069 -3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 87 13.430 1.686 -1.518 1.00 0.00 H new ATOM 1201 N THR A 88 12.597 -1.441 -2.222 1.00 0.00 N ATOM 1202 CA THR A 88 12.788 -2.824 -1.723 1.00 0.00 C ATOM 1203 C THR A 88 12.155 -3.797 -2.713 1.00 0.00 C ATOM 1204 O THR A 88 11.095 -3.549 -3.255 1.00 0.00 O ATOM 1205 CB THR A 88 12.160 -3.001 -0.317 1.00 0.00 C ATOM 1206 OG1 THR A 88 12.926 -3.952 0.402 1.00 0.00 O ATOM 1207 CG2 THR A 88 10.713 -3.511 -0.394 1.00 0.00 C ATOM 0 H THR A 88 11.936 -1.342 -2.993 1.00 0.00 H new ATOM 0 HA THR A 88 13.855 -3.027 -1.635 1.00 0.00 H new ATOM 0 HB THR A 88 12.156 -2.028 0.175 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.348 -4.426 1.036 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.312 -3.621 0.614 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.105 -2.798 -0.951 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.694 -4.477 -0.899 1.00 0.00 H new ATOM 1215 N ALA A 89 12.779 -4.905 -2.937 1.00 0.00 N ATOM 1216 CA ALA A 89 12.197 -5.900 -3.867 1.00 0.00 C ATOM 1217 C ALA A 89 11.905 -7.188 -3.099 1.00 0.00 C ATOM 1218 O ALA A 89 12.775 -7.775 -2.491 1.00 0.00 O ATOM 1219 CB ALA A 89 13.165 -6.172 -4.997 1.00 0.00 C ATOM 0 H ALA A 89 13.670 -5.169 -2.517 1.00 0.00 H new ATOM 0 HA ALA A 89 11.270 -5.513 -4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.732 -6.905 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.363 -5.246 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.098 -6.561 -4.591 1.00 0.00 H new ATOM 1225 N MET A 90 10.676 -7.613 -3.108 1.00 0.00 N ATOM 1226 CA MET A 90 10.284 -8.839 -2.370 1.00 0.00 C ATOM 1227 C MET A 90 11.059 -10.054 -2.871 1.00 0.00 C ATOM 1228 O MET A 90 11.805 -10.669 -2.136 1.00 0.00 O ATOM 1229 CB MET A 90 8.789 -9.099 -2.586 1.00 0.00 C ATOM 1230 CG MET A 90 7.967 -7.858 -2.215 1.00 0.00 C ATOM 1231 SD MET A 90 8.563 -7.158 -0.657 1.00 0.00 S ATOM 1232 CE MET A 90 8.501 -5.424 -1.167 1.00 0.00 C ATOM 0 H MET A 90 9.913 -7.153 -3.605 1.00 0.00 H new ATOM 0 HA MET A 90 10.506 -8.686 -1.314 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.607 -9.365 -3.627 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.470 -9.947 -1.980 1.00 0.00 H new ATOM 0 HG2 MET A 90 8.040 -7.114 -3.008 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.914 -8.124 -2.123 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.536 -4.784 -0.285 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.353 -5.203 -1.810 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.577 -5.238 -1.714 1.00 0.00 H new ATOM 1242 N GLN A 91 10.836 -10.443 -4.096 1.00 0.00 N ATOM 1243 CA GLN A 91 11.521 -11.681 -4.621 1.00 0.00 C ATOM 1244 C GLN A 91 12.950 -11.854 -4.073 1.00 0.00 C ATOM 1245 O GLN A 91 13.409 -12.970 -3.932 1.00 0.00 O ATOM 1246 CB GLN A 91 11.524 -11.708 -6.171 1.00 0.00 C ATOM 1247 CG GLN A 91 10.228 -12.341 -6.721 1.00 0.00 C ATOM 1248 CD GLN A 91 9.902 -13.622 -5.951 1.00 0.00 C ATOM 1249 OE1 GLN A 91 10.610 -14.605 -6.053 1.00 0.00 O ATOM 1250 NE2 GLN A 91 8.850 -13.655 -5.178 1.00 0.00 N ATOM 0 H GLN A 91 10.219 -9.971 -4.757 1.00 0.00 H new ATOM 0 HA GLN A 91 10.938 -12.527 -4.258 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.627 -10.693 -6.555 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.386 -12.272 -6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.403 -11.634 -6.633 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.345 -12.564 -7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.255 -12.831 -5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.623 -14.505 -4.661 1.00 0.00 H new ATOM 1259 N GLY A 92 13.654 -10.818 -3.724 1.00 0.00 N ATOM 1260 CA GLY A 92 15.007 -11.032 -3.158 1.00 0.00 C ATOM 1261 C GLY A 92 14.985 -10.496 -1.736 1.00 0.00 C ATOM 1262 O GLY A 92 15.845 -9.741 -1.336 1.00 0.00 O ATOM 0 H GLY A 92 13.356 -9.846 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.265 -12.091 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.760 -10.515 -3.753 1.00 0.00 H new ATOM 1266 N LEU A 93 13.985 -10.861 -0.969 1.00 0.00 N ATOM 1267 CA LEU A 93 13.900 -10.331 0.415 1.00 0.00 C ATOM 1268 C LEU A 93 12.974 -11.204 1.259 1.00 0.00 C ATOM 1269 O LEU A 93 11.919 -11.620 0.823 1.00 0.00 O ATOM 1270 CB LEU A 93 13.308 -8.912 0.367 1.00 0.00 C ATOM 1271 CG LEU A 93 14.314 -7.865 0.864 1.00 0.00 C ATOM 1272 CD1 LEU A 93 15.096 -8.402 2.063 1.00 0.00 C ATOM 1273 CD2 LEU A 93 15.280 -7.510 -0.268 1.00 0.00 C ATOM 0 H LEU A 93 13.235 -11.496 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 93 14.898 -10.324 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.010 -8.675 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.407 -8.872 0.979 1.00 0.00 H new ATOM 0 HG LEU A 93 13.771 -6.972 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.805 -7.647 2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.405 -8.640 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 93 15.637 -9.302 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.995 -6.766 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 93 15.814 -8.406 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.720 -7.105 -1.111 1.00 0.00 H new ATOM 1285 N THR A 94 13.348 -11.448 2.477 1.00 0.00 N ATOM 1286 CA THR A 94 12.482 -12.256 3.382 1.00 0.00 C ATOM 1287 C THR A 94 11.397 -11.332 3.937 1.00 0.00 C ATOM 1288 O THR A 94 11.488 -10.126 3.817 1.00 0.00 O ATOM 1289 CB THR A 94 13.316 -12.827 4.533 1.00 0.00 C ATOM 1290 OG1 THR A 94 14.693 -12.581 4.287 1.00 0.00 O ATOM 1291 CG2 THR A 94 13.076 -14.334 4.641 1.00 0.00 C ATOM 0 H THR A 94 14.221 -11.122 2.892 1.00 0.00 H new ATOM 0 HA THR A 94 12.035 -13.087 2.837 1.00 0.00 H new ATOM 0 HB THR A 94 13.023 -12.347 5.467 1.00 0.00 H new ATOM 0 HG1 THR A 94 15.227 -12.945 5.024 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.670 -14.739 5.460 1.00 0.00 H new ATOM 0 HG22 THR A 94 12.019 -14.521 4.832 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.368 -14.817 3.708 1.00 0.00 H new ATOM 1299 N ARG A 95 10.359 -11.866 4.515 1.00 0.00 N ATOM 1300 CA ARG A 95 9.276 -10.961 5.031 1.00 0.00 C ATOM 1301 C ARG A 95 9.857 -9.817 5.869 1.00 0.00 C ATOM 1302 O ARG A 95 9.688 -8.659 5.542 1.00 0.00 O ATOM 1303 CB ARG A 95 8.248 -11.724 5.886 1.00 0.00 C ATOM 1304 CG ARG A 95 7.043 -10.815 6.137 1.00 0.00 C ATOM 1305 CD ARG A 95 7.382 -9.748 7.178 1.00 0.00 C ATOM 1306 NE ARG A 95 6.341 -9.757 8.244 1.00 0.00 N ATOM 1307 CZ ARG A 95 6.067 -8.663 8.900 1.00 0.00 C ATOM 1308 NH1 ARG A 95 5.412 -7.696 8.315 1.00 0.00 N ATOM 1309 NH2 ARG A 95 6.446 -8.537 10.141 1.00 0.00 N ATOM 0 H ARG A 95 10.207 -12.865 4.654 1.00 0.00 H new ATOM 0 HA ARG A 95 8.776 -10.554 4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.934 -12.634 5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.695 -12.027 6.832 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.740 -10.338 5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.197 -11.410 6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.364 -9.943 7.610 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.430 -8.766 6.708 1.00 0.00 H new ATOM 0 HE ARG A 95 5.842 -10.620 8.461 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.114 -7.796 7.345 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.198 -6.841 8.829 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.956 -9.293 10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.233 -7.682 10.655 1.00 0.00 H new ATOM 1323 N PHE A 96 10.506 -10.111 6.965 1.00 0.00 N ATOM 1324 CA PHE A 96 11.039 -9.008 7.814 1.00 0.00 C ATOM 1325 C PHE A 96 12.082 -8.206 7.043 1.00 0.00 C ATOM 1326 O PHE A 96 12.000 -6.997 6.960 1.00 0.00 O ATOM 1327 CB PHE A 96 11.662 -9.580 9.089 1.00 0.00 C ATOM 1328 CG PHE A 96 11.052 -8.897 10.291 1.00 0.00 C ATOM 1329 CD1 PHE A 96 9.662 -8.878 10.453 1.00 0.00 C ATOM 1330 CD2 PHE A 96 11.876 -8.281 11.241 1.00 0.00 C ATOM 1331 CE1 PHE A 96 9.095 -8.245 11.566 1.00 0.00 C ATOM 1332 CE2 PHE A 96 11.309 -7.647 12.354 1.00 0.00 C ATOM 1333 CZ PHE A 96 9.917 -7.629 12.516 1.00 0.00 C ATOM 0 H PHE A 96 10.688 -11.055 7.305 1.00 0.00 H new ATOM 0 HA PHE A 96 10.215 -8.348 8.086 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.490 -10.655 9.141 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.742 -9.430 9.079 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.026 -9.352 9.719 1.00 0.00 H new ATOM 0 HD2 PHE A 96 12.949 -8.295 11.116 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.022 -8.232 11.691 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.944 -7.172 13.087 1.00 0.00 H new ATOM 0 HZ PHE A 96 9.479 -7.140 13.374 1.00 0.00 H new ATOM 1343 N GLU A 97 13.060 -8.850 6.477 1.00 0.00 N ATOM 1344 CA GLU A 97 14.082 -8.084 5.723 1.00 0.00 C ATOM 1345 C GLU A 97 13.377 -7.194 4.702 1.00 0.00 C ATOM 1346 O GLU A 97 13.742 -6.055 4.504 1.00 0.00 O ATOM 1347 CB GLU A 97 15.033 -9.038 5.000 1.00 0.00 C ATOM 1348 CG GLU A 97 15.753 -9.920 6.023 1.00 0.00 C ATOM 1349 CD GLU A 97 16.945 -9.161 6.609 1.00 0.00 C ATOM 1350 OE1 GLU A 97 17.930 -9.011 5.907 1.00 0.00 O ATOM 1351 OE2 GLU A 97 16.853 -8.744 7.752 1.00 0.00 O ATOM 0 H GLU A 97 13.195 -9.861 6.503 1.00 0.00 H new ATOM 0 HA GLU A 97 14.661 -7.474 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.477 -9.659 4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.760 -8.471 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.065 -10.207 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.093 -10.841 5.549 1.00 0.00 H new ATOM 1358 N ALA A 98 12.367 -7.704 4.051 1.00 0.00 N ATOM 1359 CA ALA A 98 11.649 -6.887 3.034 1.00 0.00 C ATOM 1360 C ALA A 98 11.037 -5.639 3.670 1.00 0.00 C ATOM 1361 O ALA A 98 11.438 -4.528 3.388 1.00 0.00 O ATOM 1362 CB ALA A 98 10.540 -7.729 2.400 1.00 0.00 C ATOM 0 H ALA A 98 12.009 -8.650 4.180 1.00 0.00 H new ATOM 0 HA ALA A 98 12.364 -6.573 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.012 -7.134 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 98 10.977 -8.605 1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.840 -8.049 3.172 1.00 0.00 H new ATOM 1368 N TRP A 99 10.056 -5.812 4.501 1.00 0.00 N ATOM 1369 CA TRP A 99 9.391 -4.623 5.135 1.00 0.00 C ATOM 1370 C TRP A 99 10.420 -3.742 5.862 1.00 0.00 C ATOM 1371 O TRP A 99 10.133 -2.615 6.212 1.00 0.00 O ATOM 1372 CB TRP A 99 8.323 -5.128 6.116 1.00 0.00 C ATOM 1373 CG TRP A 99 7.561 -3.990 6.724 1.00 0.00 C ATOM 1374 CD1 TRP A 99 7.199 -3.922 8.026 1.00 0.00 C ATOM 1375 CD2 TRP A 99 7.045 -2.781 6.094 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.497 -2.751 8.237 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.376 -2.013 7.078 1.00 0.00 C ATOM 1378 CE3 TRP A 99 7.089 -2.278 4.783 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.774 -0.793 6.770 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.487 -1.049 4.470 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.831 -0.308 5.463 1.00 0.00 C ATOM 0 H TRP A 99 9.678 -6.719 4.776 1.00 0.00 H new ATOM 0 HA TRP A 99 8.925 -4.011 4.363 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.634 -5.793 5.596 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.797 -5.713 6.904 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.423 -4.663 8.779 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.115 -2.467 9.139 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.590 -2.841 4.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.267 -0.228 7.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.529 -0.672 3.459 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.370 0.637 5.217 1.00 0.00 H new ATOM 1392 N ASN A 100 11.612 -4.228 6.095 1.00 0.00 N ATOM 1393 CA ASN A 100 12.628 -3.389 6.796 1.00 0.00 C ATOM 1394 C ASN A 100 13.330 -2.438 5.805 1.00 0.00 C ATOM 1395 O ASN A 100 13.447 -1.256 6.058 1.00 0.00 O ATOM 1396 CB ASN A 100 13.667 -4.291 7.473 1.00 0.00 C ATOM 1397 CG ASN A 100 13.000 -5.080 8.600 1.00 0.00 C ATOM 1398 OD1 ASN A 100 12.083 -4.599 9.235 1.00 0.00 O ATOM 1399 ND2 ASN A 100 13.426 -6.282 8.877 1.00 0.00 N ATOM 0 H ASN A 100 11.924 -5.163 5.832 1.00 0.00 H new ATOM 0 HA ASN A 100 12.120 -2.789 7.550 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.101 -4.975 6.744 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.484 -3.688 7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.989 -6.818 9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.196 -6.686 8.344 1.00 0.00 H new ATOM 1406 N ILE A 101 13.804 -2.933 4.683 1.00 0.00 N ATOM 1407 CA ILE A 101 14.495 -2.041 3.704 1.00 0.00 C ATOM 1408 C ILE A 101 13.603 -0.856 3.354 1.00 0.00 C ATOM 1409 O ILE A 101 14.055 0.268 3.258 1.00 0.00 O ATOM 1410 CB ILE A 101 14.771 -2.823 2.424 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.831 -3.878 2.679 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.225 -1.881 1.313 1.00 0.00 C ATOM 1413 CD1 ILE A 101 15.149 -5.233 2.576 1.00 0.00 C ATOM 0 H ILE A 101 13.741 -3.913 4.407 1.00 0.00 H new ATOM 0 HA ILE A 101 15.425 -1.685 4.148 1.00 0.00 H new ATOM 0 HB ILE A 101 13.850 -3.314 2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.638 -3.797 1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.277 -3.745 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.418 -2.454 0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.445 -1.145 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.137 -1.369 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 101 15.879 -6.022 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.356 -5.299 3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.722 -5.351 1.580 1.00 0.00 H new ATOM 1425 N ILE A 102 12.343 -1.098 3.144 1.00 0.00 N ATOM 1426 CA ILE A 102 11.431 0.021 2.779 1.00 0.00 C ATOM 1427 C ILE A 102 11.548 1.121 3.827 1.00 0.00 C ATOM 1428 O ILE A 102 11.900 2.246 3.533 1.00 0.00 O ATOM 1429 CB ILE A 102 10.013 -0.512 2.764 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.776 -1.302 1.504 1.00 0.00 C ATOM 1431 CG2 ILE A 102 8.996 0.627 2.855 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.553 -2.745 1.931 1.00 0.00 C ATOM 0 H ILE A 102 11.905 -2.017 3.208 1.00 0.00 H new ATOM 0 HA ILE A 102 11.692 0.425 1.801 1.00 0.00 H new ATOM 0 HB ILE A 102 9.884 -1.159 3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.910 -0.919 0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.630 -1.225 0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.987 0.216 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.151 1.180 3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.125 1.299 2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.376 -3.362 1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.435 -3.109 2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.688 -2.799 2.592 1.00 0.00 H new ATOM 1444 N LYS A 103 11.244 0.793 5.048 1.00 0.00 N ATOM 1445 CA LYS A 103 11.324 1.810 6.139 1.00 0.00 C ATOM 1446 C LYS A 103 12.588 2.648 5.967 1.00 0.00 C ATOM 1447 O LYS A 103 12.615 3.826 6.261 1.00 0.00 O ATOM 1448 CB LYS A 103 11.381 1.110 7.499 1.00 0.00 C ATOM 1449 CG LYS A 103 10.105 0.304 7.727 1.00 0.00 C ATOM 1450 CD LYS A 103 10.043 -0.137 9.190 1.00 0.00 C ATOM 1451 CE LYS A 103 8.814 0.479 9.857 1.00 0.00 C ATOM 1452 NZ LYS A 103 7.581 -0.096 9.254 1.00 0.00 N ATOM 0 H LYS A 103 10.943 -0.136 5.343 1.00 0.00 H new ATOM 0 HA LYS A 103 10.443 2.450 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 103 12.249 0.452 7.542 1.00 0.00 H new ATOM 0 HB3 LYS A 103 11.501 1.848 8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.231 0.906 7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.089 -0.567 7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.996 -1.224 9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.948 0.173 9.713 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.833 0.283 10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.823 1.562 9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 6.798 -0.031 9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.336 0.434 8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.746 -1.094 9.011 1.00 0.00 H new ATOM 1466 N ALA A 104 13.636 2.038 5.508 1.00 0.00 N ATOM 1467 CA ALA A 104 14.921 2.777 5.327 1.00 0.00 C ATOM 1468 C ALA A 104 14.776 3.846 4.242 1.00 0.00 C ATOM 1469 O ALA A 104 15.448 4.858 4.262 1.00 0.00 O ATOM 1470 CB ALA A 104 16.023 1.793 4.931 1.00 0.00 C ATOM 0 H ALA A 104 13.665 1.052 5.247 1.00 0.00 H new ATOM 0 HA ALA A 104 15.181 3.265 6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.961 2.332 4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 104 16.141 1.045 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.753 1.300 3.997 1.00 0.00 H new ATOM 1476 N LEU A 105 13.915 3.629 3.293 1.00 0.00 N ATOM 1477 CA LEU A 105 13.735 4.631 2.204 1.00 0.00 C ATOM 1478 C LEU A 105 13.406 6.001 2.819 1.00 0.00 C ATOM 1479 O LEU A 105 13.240 6.111 4.017 1.00 0.00 O ATOM 1480 CB LEU A 105 12.578 4.153 1.323 1.00 0.00 C ATOM 1481 CG LEU A 105 13.110 3.192 0.256 1.00 0.00 C ATOM 1482 CD1 LEU A 105 13.862 3.980 -0.817 1.00 0.00 C ATOM 1483 CD2 LEU A 105 14.061 2.181 0.903 1.00 0.00 C ATOM 0 H LEU A 105 13.325 2.800 3.221 1.00 0.00 H new ATOM 0 HA LEU A 105 14.644 4.731 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.825 3.655 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.092 5.006 0.849 1.00 0.00 H new ATOM 0 HG LEU A 105 12.273 2.664 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 105 14.239 3.294 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.186 4.698 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 105 14.697 4.511 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 105 14.438 1.498 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.896 2.710 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.526 1.615 1.666 1.00 0.00 H new ATOM 1495 N PRO A 106 13.310 7.008 1.978 1.00 0.00 N ATOM 1496 CA PRO A 106 12.990 8.379 2.414 1.00 0.00 C ATOM 1497 C PRO A 106 11.476 8.562 2.554 1.00 0.00 C ATOM 1498 O PRO A 106 10.703 7.672 2.259 1.00 0.00 O ATOM 1499 CB PRO A 106 13.540 9.249 1.281 1.00 0.00 C ATOM 1500 CG PRO A 106 13.616 8.341 0.029 1.00 0.00 C ATOM 1501 CD PRO A 106 13.539 6.885 0.524 1.00 0.00 C ATOM 0 HA PRO A 106 13.414 8.629 3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 106 12.892 10.106 1.100 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.524 9.642 1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 106 12.797 8.559 -0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 106 14.543 8.514 -0.517 1.00 0.00 H new ATOM 0 HD2 PRO A 106 12.729 6.341 0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 106 14.460 6.343 0.310 1.00 0.00 H new ATOM 1509 N ASP A 107 11.048 9.713 3.000 1.00 0.00 N ATOM 1510 CA ASP A 107 9.588 9.959 3.160 1.00 0.00 C ATOM 1511 C ASP A 107 9.053 10.689 1.926 1.00 0.00 C ATOM 1512 O ASP A 107 9.040 11.902 1.867 1.00 0.00 O ATOM 1513 CB ASP A 107 9.352 10.818 4.404 1.00 0.00 C ATOM 1514 CG ASP A 107 10.176 10.264 5.568 1.00 0.00 C ATOM 1515 OD1 ASP A 107 10.642 9.143 5.457 1.00 0.00 O ATOM 1516 OD2 ASP A 107 10.328 10.972 6.550 1.00 0.00 O ATOM 0 H ASP A 107 11.649 10.494 3.261 1.00 0.00 H new ATOM 0 HA ASP A 107 9.069 9.007 3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 107 9.634 11.852 4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.293 10.820 4.662 1.00 0.00 H new ATOM 1521 N GLY A 108 8.612 9.958 0.939 1.00 0.00 N ATOM 1522 CA GLY A 108 8.077 10.615 -0.295 1.00 0.00 C ATOM 1523 C GLY A 108 7.170 9.634 -1.049 1.00 0.00 C ATOM 1524 O GLY A 108 6.414 8.903 -0.440 1.00 0.00 O ATOM 0 H GLY A 108 8.597 8.938 0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.517 11.512 -0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 108 8.900 10.932 -0.936 1.00 0.00 H new ATOM 1528 N PRO A 109 7.274 9.647 -2.357 1.00 0.00 N ATOM 1529 CA PRO A 109 6.474 8.767 -3.231 1.00 0.00 C ATOM 1530 C PRO A 109 7.039 7.351 -3.231 1.00 0.00 C ATOM 1531 O PRO A 109 7.972 7.039 -3.943 1.00 0.00 O ATOM 1532 CB PRO A 109 6.613 9.411 -4.614 1.00 0.00 C ATOM 1533 CG PRO A 109 7.901 10.266 -4.572 1.00 0.00 C ATOM 1534 CD PRO A 109 8.203 10.535 -3.087 1.00 0.00 C ATOM 0 HA PRO A 109 5.436 8.676 -2.910 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.678 8.650 -5.392 1.00 0.00 H new ATOM 0 HB3 PRO A 109 5.745 10.028 -4.844 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.730 9.741 -5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.763 11.201 -5.115 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.242 10.309 -2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.037 11.581 -2.831 1.00 0.00 H new ATOM 1542 N VAL A 110 6.459 6.486 -2.451 1.00 0.00 N ATOM 1543 CA VAL A 110 6.931 5.083 -2.416 1.00 0.00 C ATOM 1544 C VAL A 110 6.206 4.345 -3.530 1.00 0.00 C ATOM 1545 O VAL A 110 5.000 4.262 -3.547 1.00 0.00 O ATOM 1546 CB VAL A 110 6.594 4.460 -1.055 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.261 4.994 -0.544 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.486 2.941 -1.175 1.00 0.00 C ATOM 0 H VAL A 110 5.674 6.695 -1.834 1.00 0.00 H new ATOM 0 HA VAL A 110 8.010 5.023 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 110 7.393 4.722 -0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.035 4.543 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.321 6.077 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.473 4.744 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.247 2.515 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.699 2.687 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.435 2.535 -1.525 1.00 0.00 H new ATOM 1558 N THR A 111 6.930 3.845 -4.481 1.00 0.00 N ATOM 1559 CA THR A 111 6.262 3.159 -5.621 1.00 0.00 C ATOM 1560 C THR A 111 6.035 1.686 -5.312 1.00 0.00 C ATOM 1561 O THR A 111 6.875 1.005 -4.759 1.00 0.00 O ATOM 1562 CB THR A 111 7.116 3.284 -6.884 1.00 0.00 C ATOM 1563 OG1 THR A 111 6.444 2.660 -7.969 1.00 0.00 O ATOM 1564 CG2 THR A 111 8.469 2.607 -6.667 1.00 0.00 C ATOM 0 H THR A 111 7.949 3.878 -4.524 1.00 0.00 H new ATOM 0 HA THR A 111 5.296 3.638 -5.782 1.00 0.00 H new ATOM 0 HB THR A 111 7.276 4.339 -7.107 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.988 2.740 -8.780 1.00 0.00 H new ATOM 0 HG21 THR A 111 9.072 2.700 -7.571 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.986 3.085 -5.835 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.316 1.552 -6.440 1.00 0.00 H new ATOM 1572 N ILE A 112 4.890 1.199 -5.680 1.00 0.00 N ATOM 1573 CA ILE A 112 4.552 -0.217 -5.443 1.00 0.00 C ATOM 1574 C ILE A 112 4.131 -0.853 -6.762 1.00 0.00 C ATOM 1575 O ILE A 112 3.653 -0.188 -7.659 1.00 0.00 O ATOM 1576 CB ILE A 112 3.393 -0.307 -4.455 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.515 0.939 -4.566 1.00 0.00 C ATOM 1578 CG2 ILE A 112 3.934 -0.431 -3.030 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.309 0.786 -3.642 1.00 0.00 C ATOM 0 H ILE A 112 4.160 1.739 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 112 5.419 -0.737 -5.036 1.00 0.00 H new ATOM 0 HB ILE A 112 2.795 -1.187 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.086 1.827 -4.294 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.185 1.075 -5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.102 -0.495 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.546 -1.330 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.541 0.443 -2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.679 1.672 -3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.735 -0.093 -3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.651 0.670 -2.614 1.00 0.00 H new ATOM 1591 N VAL A 113 4.281 -2.136 -6.879 1.00 0.00 N ATOM 1592 CA VAL A 113 3.867 -2.815 -8.132 1.00 0.00 C ATOM 1593 C VAL A 113 3.084 -4.059 -7.748 1.00 0.00 C ATOM 1594 O VAL A 113 3.643 -5.101 -7.469 1.00 0.00 O ATOM 1595 CB VAL A 113 5.085 -3.225 -8.957 1.00 0.00 C ATOM 1596 CG1 VAL A 113 4.802 -2.979 -10.441 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.308 -2.409 -8.530 1.00 0.00 C ATOM 0 H VAL A 113 4.673 -2.746 -6.161 1.00 0.00 H new ATOM 0 HA VAL A 113 3.262 -2.136 -8.733 1.00 0.00 H new ATOM 0 HB VAL A 113 5.287 -4.283 -8.792 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.671 -3.271 -11.030 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.939 -3.569 -10.750 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.594 -1.921 -10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.171 -2.709 -9.124 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.111 -1.349 -8.687 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.514 -2.588 -7.475 1.00 0.00 H new ATOM 1607 N ILE A 114 1.796 -3.953 -7.720 1.00 0.00 N ATOM 1608 CA ILE A 114 0.970 -5.125 -7.339 1.00 0.00 C ATOM 1609 C ILE A 114 0.546 -5.876 -8.596 1.00 0.00 C ATOM 1610 O ILE A 114 0.025 -5.304 -9.533 1.00 0.00 O ATOM 1611 CB ILE A 114 -0.268 -4.660 -6.567 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -1.286 -4.046 -7.530 1.00 0.00 C ATOM 1613 CG2 ILE A 114 0.144 -3.616 -5.527 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -2.195 -5.143 -8.085 1.00 0.00 C ATOM 0 H ILE A 114 1.274 -3.106 -7.944 1.00 0.00 H new ATOM 0 HA ILE A 114 1.555 -5.788 -6.702 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.721 -5.517 -6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.882 -3.293 -7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.770 -3.540 -8.346 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.736 -3.284 -4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.861 -4.056 -4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.601 -2.763 -6.029 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.919 -4.703 -8.771 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.593 -5.880 -8.617 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.722 -5.629 -7.264 1.00 0.00 H new ATOM 1626 N ARG A 115 0.751 -7.157 -8.611 1.00 0.00 N ATOM 1627 CA ARG A 115 0.346 -7.961 -9.793 1.00 0.00 C ATOM 1628 C ARG A 115 -0.501 -9.122 -9.280 1.00 0.00 C ATOM 1629 O ARG A 115 0.015 -10.109 -8.792 1.00 0.00 O ATOM 1630 CB ARG A 115 1.592 -8.491 -10.525 1.00 0.00 C ATOM 1631 CG ARG A 115 1.192 -9.573 -11.535 1.00 0.00 C ATOM 1632 CD ARG A 115 2.129 -10.775 -11.389 1.00 0.00 C ATOM 1633 NE ARG A 115 2.378 -11.382 -12.727 1.00 0.00 N ATOM 1634 CZ ARG A 115 3.579 -11.779 -13.047 1.00 0.00 C ATOM 1635 NH1 ARG A 115 4.404 -12.176 -12.117 1.00 0.00 N ATOM 1636 NH2 ARG A 115 3.954 -11.783 -14.298 1.00 0.00 N ATOM 0 H ARG A 115 1.183 -7.686 -7.854 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.221 -7.354 -10.499 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.097 -7.673 -11.038 1.00 0.00 H new ATOM 0 HB3 ARG A 115 2.300 -8.900 -9.804 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.160 -9.880 -11.366 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.245 -9.177 -12.549 1.00 0.00 H new ATOM 0 HD2 ARG A 115 3.071 -10.461 -10.940 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.687 -11.514 -10.720 1.00 0.00 H new ATOM 0 HE ARG A 115 1.611 -11.487 -13.391 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.110 -12.176 -11.140 1.00 0.00 H new ATOM 0 HH12 ARG A 115 5.343 -12.486 -12.367 1.00 0.00 H new ATOM 0 HH21 ARG A 115 3.308 -11.476 -15.025 1.00 0.00 H new ATOM 0 HH22 ARG A 115 4.893 -12.093 -14.548 1.00 0.00 H new ATOM 1650 N ARG A 116 -1.796 -9.007 -9.358 1.00 0.00 N ATOM 1651 CA ARG A 116 -2.661 -10.103 -8.840 1.00 0.00 C ATOM 1652 C ARG A 116 -2.919 -11.123 -9.950 1.00 0.00 C ATOM 1653 O ARG A 116 -3.322 -10.777 -11.042 1.00 0.00 O ATOM 1654 CB ARG A 116 -3.995 -9.522 -8.370 1.00 0.00 C ATOM 1655 CG ARG A 116 -3.752 -8.533 -7.229 1.00 0.00 C ATOM 1656 CD ARG A 116 -4.889 -7.510 -7.188 1.00 0.00 C ATOM 1657 NE ARG A 116 -6.037 -8.075 -6.428 1.00 0.00 N ATOM 1658 CZ ARG A 116 -6.897 -7.278 -5.857 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -7.450 -6.317 -6.544 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -7.203 -7.441 -4.599 1.00 0.00 N ATOM 0 H ARG A 116 -2.291 -8.208 -9.755 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.159 -10.592 -8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.497 -9.021 -9.198 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.654 -10.323 -8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -3.693 -9.065 -6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -2.798 -8.026 -7.370 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -4.546 -6.588 -6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -5.200 -7.255 -8.201 1.00 0.00 H new ATOM 0 HE ARG A 116 -6.151 -9.086 -6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -7.210 -6.189 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -8.123 -5.693 -6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -6.770 -8.192 -4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -7.876 -6.817 -4.153 1.00 0.00 H new