USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 684 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 48 ASN : amide:sc= -3.77! K(o=-6.7!,f=-3) USER MOD Set 1.2: A 79 GLN : amide:sc= -2.96 K(o=-6.7,f=-3!) USER MOD Set 2.1: A 30 SER OG : rot -170:sc= -0.32 USER MOD Set 2.2: A 33 ASN : amide:sc= -4.67! C(o=-5!,f=-11!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -5.1! C(o=-5.1!,f=-3.1!) USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= -0.0276 (180deg=-0.27) USER MOD Single : A 66 SER OG : rot 118:sc= 1.22 USER MOD Single : A 71 SER OG : rot 85:sc= 0.731 USER MOD Single : A 76 SER OG : rot 176:sc= 1.23 USER MOD Single : A 89 MET CE :methyl 133:sc= -6.91! (180deg=-10.4!) USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= -0.0554 (180deg=-0.341) USER MOD Single : A 95 THR OG1 : rot 171:sc= 0.0812 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 107 TYR OH : rot -148:sc= -0.772 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -2.64 K(o=-2.6,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 347 N ALA A 23 -11.952 0.767 5.375 1.00 0.00 N ATOM 348 CA ALA A 23 -12.020 -0.585 4.837 1.00 0.00 C ATOM 349 C ALA A 23 -10.630 -1.181 4.628 1.00 0.00 C ATOM 350 O ALA A 23 -10.497 -2.272 4.071 1.00 0.00 O ATOM 351 CB ALA A 23 -12.798 -0.588 3.532 1.00 0.00 C ATOM 0 HA ALA A 23 -12.538 -1.208 5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.843 -1.603 3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.809 -0.223 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.300 0.060 2.810 1.00 0.00 H new ATOM 357 N PHE A 24 -9.597 -0.467 5.066 1.00 0.00 N ATOM 358 CA PHE A 24 -8.230 -0.941 4.917 1.00 0.00 C ATOM 359 C PHE A 24 -7.971 -2.230 5.695 1.00 0.00 C ATOM 360 O PHE A 24 -7.349 -3.151 5.178 1.00 0.00 O ATOM 361 CB PHE A 24 -7.233 0.126 5.345 1.00 0.00 C ATOM 362 CG PHE A 24 -5.872 -0.144 4.794 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.674 -0.198 3.426 1.00 0.00 C ATOM 364 CD2 PHE A 24 -4.801 -0.372 5.633 1.00 0.00 C ATOM 365 CE1 PHE A 24 -4.431 -0.469 2.906 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.551 -0.649 5.117 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.366 -0.696 3.751 1.00 0.00 C ATOM 0 H PHE A 24 -9.683 0.440 5.526 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.093 -1.158 3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.577 1.103 5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.185 0.165 6.433 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.506 -0.025 2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.942 -0.333 6.703 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.289 -0.504 1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.719 -0.829 5.782 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.389 -0.910 3.344 1.00 0.00 H new ATOM 377 N GLU A 25 -8.435 -2.288 6.937 1.00 0.00 N ATOM 378 CA GLU A 25 -8.222 -3.472 7.769 1.00 0.00 C ATOM 379 C GLU A 25 -8.692 -4.761 7.081 1.00 0.00 C ATOM 380 O GLU A 25 -7.922 -5.714 6.978 1.00 0.00 O ATOM 381 CB GLU A 25 -8.934 -3.332 9.107 1.00 0.00 C ATOM 382 CG GLU A 25 -7.996 -3.122 10.285 1.00 0.00 C ATOM 383 CD GLU A 25 -8.716 -3.182 11.617 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.010 -4.303 12.084 1.00 0.00 O ATOM 385 OE2 GLU A 25 -8.989 -2.107 12.193 1.00 0.00 O ATOM 0 H GLU A 25 -8.957 -1.538 7.390 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.146 -3.544 7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.627 -2.492 9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.531 -4.227 9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.215 -3.882 10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.503 -2.155 10.185 1.00 0.00 H new ATOM 392 N PRO A 26 -9.967 -4.821 6.620 1.00 0.00 N ATOM 393 CA PRO A 26 -10.514 -6.009 5.947 1.00 0.00 C ATOM 394 C PRO A 26 -9.546 -6.625 4.938 1.00 0.00 C ATOM 395 O PRO A 26 -9.696 -7.781 4.543 1.00 0.00 O ATOM 396 CB PRO A 26 -11.746 -5.461 5.233 1.00 0.00 C ATOM 397 CG PRO A 26 -12.212 -4.341 6.095 1.00 0.00 C ATOM 398 CD PRO A 26 -10.979 -3.748 6.727 1.00 0.00 C ATOM 0 HA PRO A 26 -10.722 -6.813 6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.501 -5.113 4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.515 -6.226 5.126 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.744 -3.594 5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.905 -4.699 6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.659 -2.845 6.207 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.158 -3.471 7.766 1.00 0.00 H new ATOM 406 N LEU A 27 -8.555 -5.843 4.531 1.00 0.00 N ATOM 407 CA LEU A 27 -7.556 -6.295 3.579 1.00 0.00 C ATOM 408 C LEU A 27 -6.504 -7.141 4.279 1.00 0.00 C ATOM 409 O LEU A 27 -6.285 -8.300 3.927 1.00 0.00 O ATOM 410 CB LEU A 27 -6.902 -5.085 2.925 1.00 0.00 C ATOM 411 CG LEU A 27 -7.696 -4.465 1.774 1.00 0.00 C ATOM 412 CD1 LEU A 27 -7.110 -3.118 1.384 1.00 0.00 C ATOM 413 CD2 LEU A 27 -7.714 -5.404 0.577 1.00 0.00 C ATOM 0 H LEU A 27 -8.423 -4.883 4.851 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.038 -6.906 2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.740 -4.322 3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.920 -5.378 2.553 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.722 -4.309 2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.689 -2.693 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.145 -2.444 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.075 -3.249 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.283 -4.949 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.693 -5.589 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.180 -6.348 0.862 1.00 0.00 H new ATOM 425 N LEU A 28 -5.856 -6.547 5.275 1.00 0.00 N ATOM 426 CA LEU A 28 -4.835 -7.242 6.042 1.00 0.00 C ATOM 427 C LEU A 28 -5.465 -8.386 6.824 1.00 0.00 C ATOM 428 O LEU A 28 -4.773 -9.280 7.309 1.00 0.00 O ATOM 429 CB LEU A 28 -4.123 -6.264 6.981 1.00 0.00 C ATOM 430 CG LEU A 28 -4.922 -5.831 8.210 1.00 0.00 C ATOM 431 CD1 LEU A 28 -4.536 -6.668 9.418 1.00 0.00 C ATOM 432 CD2 LEU A 28 -4.702 -4.353 8.493 1.00 0.00 C ATOM 0 H LEU A 28 -6.022 -5.584 5.569 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.094 -7.658 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.193 -6.722 7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.853 -5.374 6.413 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.981 -5.989 8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.115 -6.346 10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.743 -7.719 9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.473 -6.541 9.624 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.278 -4.061 9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.643 -4.171 8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.027 -3.766 7.634 1.00 0.00 H new ATOM 444 N GLU A 29 -6.786 -8.341 6.947 1.00 0.00 N ATOM 445 CA GLU A 29 -7.523 -9.380 7.648 1.00 0.00 C ATOM 446 C GLU A 29 -7.475 -10.675 6.842 1.00 0.00 C ATOM 447 O GLU A 29 -7.497 -11.772 7.400 1.00 0.00 O ATOM 448 CB GLU A 29 -8.974 -8.942 7.867 1.00 0.00 C ATOM 449 CG GLU A 29 -9.828 -9.976 8.583 1.00 0.00 C ATOM 450 CD GLU A 29 -11.236 -9.481 8.852 1.00 0.00 C ATOM 451 OE1 GLU A 29 -11.457 -8.872 9.920 1.00 0.00 O ATOM 452 OE2 GLU A 29 -12.117 -9.702 7.995 1.00 0.00 O ATOM 0 H GLU A 29 -7.368 -7.594 6.569 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.064 -9.551 8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.981 -8.017 8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.426 -8.718 6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.874 -10.884 7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.354 -10.243 9.527 1.00 0.00 H new ATOM 459 N SER A 30 -7.407 -10.528 5.519 1.00 0.00 N ATOM 460 CA SER A 30 -7.343 -11.671 4.615 1.00 0.00 C ATOM 461 C SER A 30 -6.035 -12.437 4.788 1.00 0.00 C ATOM 462 O SER A 30 -5.915 -13.581 4.352 1.00 0.00 O ATOM 463 CB SER A 30 -7.486 -11.210 3.164 1.00 0.00 C ATOM 464 OG SER A 30 -7.195 -12.263 2.262 1.00 0.00 O ATOM 0 H SER A 30 -7.395 -9.622 5.050 1.00 0.00 H new ATOM 0 HA SER A 30 -8.168 -12.339 4.862 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.500 -10.850 2.992 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.814 -10.372 2.978 1.00 0.00 H new ATOM 0 HG SER A 30 -7.139 -11.907 1.351 1.00 0.00 H new ATOM 470 N LEU A 31 -5.055 -11.802 5.423 1.00 0.00 N ATOM 471 CA LEU A 31 -3.755 -12.428 5.648 1.00 0.00 C ATOM 472 C LEU A 31 -3.887 -13.671 6.525 1.00 0.00 C ATOM 473 O LEU A 31 -2.919 -14.405 6.726 1.00 0.00 O ATOM 474 CB LEU A 31 -2.790 -11.433 6.299 1.00 0.00 C ATOM 475 CG LEU A 31 -2.561 -10.139 5.514 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.795 -9.132 6.361 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.814 -10.422 4.219 1.00 0.00 C ATOM 0 H LEU A 31 -5.136 -10.854 5.791 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.358 -12.731 4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.170 -11.177 7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.829 -11.926 6.445 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.533 -9.713 5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.640 -8.218 5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.366 -8.904 7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.829 -9.552 6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.661 -9.489 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.848 -10.872 4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.397 -11.108 3.605 1.00 0.00 H new ATOM 489 N SER A 32 -5.090 -13.900 7.046 1.00 0.00 N ATOM 490 CA SER A 32 -5.344 -15.051 7.910 1.00 0.00 C ATOM 491 C SER A 32 -6.424 -15.962 7.325 1.00 0.00 C ATOM 492 O SER A 32 -7.071 -16.716 8.052 1.00 0.00 O ATOM 493 CB SER A 32 -5.765 -14.580 9.304 1.00 0.00 C ATOM 494 OG SER A 32 -4.799 -13.705 9.859 1.00 0.00 O ATOM 0 H SER A 32 -5.903 -13.305 6.886 1.00 0.00 H new ATOM 0 HA SER A 32 -4.419 -15.623 7.982 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.728 -14.073 9.245 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.898 -15.442 9.958 1.00 0.00 H new ATOM 0 HG SER A 32 -5.092 -13.417 10.749 1.00 0.00 H new ATOM 500 N ASN A 33 -6.609 -15.892 6.010 1.00 0.00 N ATOM 501 CA ASN A 33 -7.615 -16.709 5.336 1.00 0.00 C ATOM 502 C ASN A 33 -7.033 -18.048 4.886 1.00 0.00 C ATOM 503 O ASN A 33 -5.840 -18.153 4.599 1.00 0.00 O ATOM 504 CB ASN A 33 -8.189 -15.955 4.135 1.00 0.00 C ATOM 505 CG ASN A 33 -7.164 -15.738 3.038 1.00 0.00 C ATOM 506 OD1 ASN A 33 -5.972 -15.971 3.230 1.00 0.00 O ATOM 507 ND2 ASN A 33 -7.624 -15.275 1.885 1.00 0.00 N ATOM 0 H ASN A 33 -6.078 -15.280 5.391 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.415 -16.911 6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.035 -16.512 3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -8.571 -14.989 4.466 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.981 -15.098 1.113 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.621 -15.095 1.769 1.00 0.00 H new ATOM 514 N GLU A 34 -7.883 -19.069 4.833 1.00 0.00 N ATOM 515 CA GLU A 34 -7.458 -20.402 4.418 1.00 0.00 C ATOM 516 C GLU A 34 -7.034 -20.410 2.952 1.00 0.00 C ATOM 517 O GLU A 34 -6.110 -21.127 2.567 1.00 0.00 O ATOM 518 CB GLU A 34 -8.590 -21.408 4.634 1.00 0.00 C ATOM 519 CG GLU A 34 -9.136 -21.416 6.051 1.00 0.00 C ATOM 520 CD GLU A 34 -10.355 -22.306 6.201 1.00 0.00 C ATOM 521 OE1 GLU A 34 -10.181 -23.538 6.298 1.00 0.00 O ATOM 522 OE2 GLU A 34 -11.482 -21.770 6.220 1.00 0.00 O ATOM 0 H GLU A 34 -8.872 -18.999 5.073 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.600 -20.687 5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.402 -21.182 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.229 -22.406 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.357 -21.754 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.396 -20.398 6.342 1.00 0.00 H new ATOM 529 N ASP A 35 -7.715 -19.609 2.138 1.00 0.00 N ATOM 530 CA ASP A 35 -7.415 -19.529 0.712 1.00 0.00 C ATOM 531 C ASP A 35 -6.149 -18.715 0.459 1.00 0.00 C ATOM 532 O ASP A 35 -5.757 -17.885 1.278 1.00 0.00 O ATOM 533 CB ASP A 35 -8.592 -18.910 -0.043 1.00 0.00 C ATOM 534 CG ASP A 35 -9.849 -19.751 0.059 1.00 0.00 C ATOM 535 OD1 ASP A 35 -10.047 -20.631 -0.805 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.636 -19.531 1.004 1.00 0.00 O ATOM 0 H ASP A 35 -8.479 -19.005 2.442 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.248 -20.543 0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.791 -17.914 0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.324 -18.788 -1.092 1.00 0.00 H new ATOM 541 N TRP A 36 -5.514 -18.964 -0.684 1.00 0.00 N ATOM 542 CA TRP A 36 -4.291 -18.260 -1.052 1.00 0.00 C ATOM 543 C TRP A 36 -4.555 -17.241 -2.158 1.00 0.00 C ATOM 544 O TRP A 36 -3.931 -16.181 -2.199 1.00 0.00 O ATOM 545 CB TRP A 36 -3.221 -19.257 -1.505 1.00 0.00 C ATOM 546 CG TRP A 36 -2.606 -20.023 -0.373 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.803 -21.339 -0.066 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.692 -19.516 0.606 1.00 0.00 C ATOM 549 NE1 TRP A 36 -2.065 -21.680 1.042 1.00 0.00 N ATOM 550 CE2 TRP A 36 -1.375 -20.579 1.472 1.00 0.00 C ATOM 551 CE3 TRP A 36 -1.109 -18.266 0.833 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -0.504 -20.431 2.545 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -0.242 -18.121 1.900 1.00 0.00 C ATOM 554 CH2 TRP A 36 0.052 -19.199 2.745 1.00 0.00 C ATOM 0 H TRP A 36 -5.828 -19.649 -1.371 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.933 -17.725 -0.172 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.664 -19.959 -2.211 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.437 -18.720 -2.039 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.445 -22.013 -0.614 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.036 -22.604 1.474 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.332 -17.429 0.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -0.275 -21.260 3.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.216 -17.161 2.085 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.732 -19.053 3.571 1.00 0.00 H new ATOM 565 N ARG A 37 -5.483 -17.571 -3.052 1.00 0.00 N ATOM 566 CA ARG A 37 -5.832 -16.684 -4.156 1.00 0.00 C ATOM 567 C ARG A 37 -6.344 -15.342 -3.640 1.00 0.00 C ATOM 568 O ARG A 37 -6.021 -14.290 -4.192 1.00 0.00 O ATOM 569 CB ARG A 37 -6.888 -17.340 -5.047 1.00 0.00 C ATOM 570 CG ARG A 37 -8.108 -17.833 -4.285 1.00 0.00 C ATOM 571 CD ARG A 37 -9.077 -18.565 -5.199 1.00 0.00 C ATOM 572 NE ARG A 37 -10.212 -19.117 -4.466 1.00 0.00 N ATOM 573 CZ ARG A 37 -11.087 -19.970 -4.994 1.00 0.00 C ATOM 574 NH1 ARG A 37 -10.956 -20.364 -6.254 1.00 0.00 N ATOM 575 NH2 ARG A 37 -12.094 -20.429 -4.263 1.00 0.00 N ATOM 0 H ARG A 37 -6.006 -18.446 -3.033 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.931 -16.503 -4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.208 -16.624 -5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.435 -18.180 -5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.792 -18.498 -3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.614 -16.987 -3.819 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.439 -17.880 -5.966 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.552 -19.370 -5.713 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.342 -18.833 -3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.184 -20.013 -6.820 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.628 -21.018 -6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.199 -20.128 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.763 -21.083 -4.670 1.00 0.00 H new ATOM 589 N ILE A 38 -7.143 -15.387 -2.579 1.00 0.00 N ATOM 590 CA ILE A 38 -7.697 -14.176 -1.987 1.00 0.00 C ATOM 591 C ILE A 38 -6.651 -13.461 -1.137 1.00 0.00 C ATOM 592 O ILE A 38 -6.590 -12.231 -1.115 1.00 0.00 O ATOM 593 CB ILE A 38 -8.934 -14.489 -1.122 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.980 -15.240 -1.950 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.524 -13.205 -0.552 1.00 0.00 C ATOM 596 CD1 ILE A 38 -11.077 -15.870 -1.118 1.00 0.00 C ATOM 0 H ILE A 38 -7.421 -16.250 -2.112 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.000 -13.525 -2.807 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.628 -15.123 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.429 -14.550 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.482 -16.018 -2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.396 -13.444 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.778 -12.704 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.820 -12.547 -1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.781 -16.384 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.640 -16.586 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.601 -15.094 -0.560 1.00 0.00 H new ATOM 608 N ARG A 39 -5.831 -14.241 -0.438 1.00 0.00 N ATOM 609 CA ARG A 39 -4.776 -13.689 0.407 1.00 0.00 C ATOM 610 C ARG A 39 -3.827 -12.828 -0.422 1.00 0.00 C ATOM 611 O ARG A 39 -3.144 -11.950 0.107 1.00 0.00 O ATOM 612 CB ARG A 39 -3.999 -14.821 1.084 1.00 0.00 C ATOM 613 CG ARG A 39 -3.504 -14.482 2.483 1.00 0.00 C ATOM 614 CD ARG A 39 -2.110 -13.878 2.464 1.00 0.00 C ATOM 615 NE ARG A 39 -1.505 -13.878 3.795 1.00 0.00 N ATOM 616 CZ ARG A 39 -0.282 -13.424 4.053 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.463 -12.920 3.079 1.00 0.00 N ATOM 618 NH2 ARG A 39 0.195 -13.470 5.289 1.00 0.00 N ATOM 0 H ARG A 39 -5.877 -15.260 -0.440 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.235 -13.065 1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.637 -15.703 1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.144 -15.084 0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.196 -13.782 2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.500 -15.384 3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.478 -14.441 1.777 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.161 -12.857 2.087 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.053 -14.248 4.571 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.099 -12.879 2.127 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.401 -12.573 3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.376 -13.854 6.042 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.133 -13.122 5.487 1.00 0.00 H new ATOM 632 N GLY A 40 -3.796 -13.089 -1.727 1.00 0.00 N ATOM 633 CA GLY A 40 -2.936 -12.333 -2.618 1.00 0.00 C ATOM 634 C GLY A 40 -3.518 -10.978 -2.968 1.00 0.00 C ATOM 635 O GLY A 40 -2.838 -9.959 -2.855 1.00 0.00 O ATOM 0 H GLY A 40 -4.353 -13.812 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.961 -12.197 -2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.773 -12.903 -3.533 1.00 0.00 H new ATOM 639 N ALA A 41 -4.781 -10.970 -3.393 1.00 0.00 N ATOM 640 CA ALA A 41 -5.462 -9.731 -3.756 1.00 0.00 C ATOM 641 C ALA A 41 -5.312 -8.689 -2.656 1.00 0.00 C ATOM 642 O ALA A 41 -5.222 -7.491 -2.929 1.00 0.00 O ATOM 643 CB ALA A 41 -6.932 -9.997 -4.035 1.00 0.00 C ATOM 0 H ALA A 41 -5.352 -11.809 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.999 -9.340 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.426 -9.063 -4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.024 -10.706 -4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.402 -10.412 -3.144 1.00 0.00 H new ATOM 649 N ALA A 42 -5.288 -9.153 -1.411 1.00 0.00 N ATOM 650 CA ALA A 42 -5.134 -8.264 -0.270 1.00 0.00 C ATOM 651 C ALA A 42 -3.806 -7.523 -0.356 1.00 0.00 C ATOM 652 O ALA A 42 -3.769 -6.294 -0.328 1.00 0.00 O ATOM 653 CB ALA A 42 -5.228 -9.048 1.030 1.00 0.00 C ATOM 0 H ALA A 42 -5.373 -10.140 -1.169 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.940 -7.531 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.111 -8.368 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.200 -9.537 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.440 -9.801 1.058 1.00 0.00 H new ATOM 659 N ALA A 43 -2.721 -8.284 -0.471 1.00 0.00 N ATOM 660 CA ALA A 43 -1.384 -7.712 -0.575 1.00 0.00 C ATOM 661 C ALA A 43 -1.238 -6.896 -1.855 1.00 0.00 C ATOM 662 O ALA A 43 -0.426 -5.974 -1.929 1.00 0.00 O ATOM 663 CB ALA A 43 -0.349 -8.823 -0.555 1.00 0.00 C ATOM 0 H ALA A 43 -2.743 -9.303 -0.494 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.227 -7.049 0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.649 -8.392 -0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.432 -9.381 0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.520 -9.495 -1.396 1.00 0.00 H new ATOM 669 N TRP A 44 -2.036 -7.245 -2.860 1.00 0.00 N ATOM 670 CA TRP A 44 -1.996 -6.572 -4.155 1.00 0.00 C ATOM 671 C TRP A 44 -2.557 -5.149 -4.086 1.00 0.00 C ATOM 672 O TRP A 44 -2.047 -4.244 -4.745 1.00 0.00 O ATOM 673 CB TRP A 44 -2.777 -7.384 -5.193 1.00 0.00 C ATOM 674 CG TRP A 44 -1.932 -8.376 -5.935 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.208 -9.400 -5.398 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.725 -8.440 -7.352 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.558 -10.092 -6.392 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.861 -9.523 -7.600 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.186 -7.686 -8.437 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.449 -9.872 -8.884 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.776 -8.033 -9.712 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.916 -9.117 -9.925 1.00 0.00 C ATOM 0 H TRP A 44 -2.724 -7.996 -2.801 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.949 -6.501 -4.450 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.589 -7.912 -4.693 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.234 -6.700 -5.909 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.153 -9.633 -4.345 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.051 -10.898 -6.252 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.850 -6.848 -8.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.214 -10.708 -9.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.125 -7.458 -10.557 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.615 -9.362 -10.933 1.00 0.00 H new ATOM 693 N ILE A 45 -3.607 -4.955 -3.288 1.00 0.00 N ATOM 694 CA ILE A 45 -4.245 -3.646 -3.164 1.00 0.00 C ATOM 695 C ILE A 45 -3.779 -2.906 -1.914 1.00 0.00 C ATOM 696 O ILE A 45 -3.904 -1.684 -1.817 1.00 0.00 O ATOM 697 CB ILE A 45 -5.783 -3.785 -3.128 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.267 -4.608 -4.324 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.445 -2.412 -3.121 1.00 0.00 C ATOM 700 CD1 ILE A 45 -7.727 -4.997 -4.244 1.00 0.00 C ATOM 0 H ILE A 45 -4.033 -5.687 -2.719 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.952 -3.067 -4.040 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.064 -4.304 -2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.102 -4.037 -5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.663 -5.512 -4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.528 -2.530 -3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.120 -1.856 -2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.161 -1.866 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.998 -5.578 -5.126 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.895 -5.596 -3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.341 -4.098 -4.200 1.00 0.00 H new ATOM 712 N ILE A 46 -3.234 -3.653 -0.965 1.00 0.00 N ATOM 713 CA ILE A 46 -2.774 -3.085 0.296 1.00 0.00 C ATOM 714 C ILE A 46 -1.741 -1.972 0.095 1.00 0.00 C ATOM 715 O ILE A 46 -1.735 -0.984 0.830 1.00 0.00 O ATOM 716 CB ILE A 46 -2.192 -4.185 1.213 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.369 -3.790 2.675 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.724 -4.447 0.900 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.443 -4.973 3.615 1.00 0.00 C ATOM 0 H ILE A 46 -3.098 -4.661 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.647 -2.640 0.774 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.737 -5.110 1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.538 -3.150 2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.279 -3.199 2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.344 -5.225 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.625 -4.771 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.151 -3.532 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.569 -4.618 4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.290 -5.602 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.523 -5.553 3.543 1.00 0.00 H new ATOM 731 N GLY A 47 -0.883 -2.124 -0.909 1.00 0.00 N ATOM 732 CA GLY A 47 0.145 -1.128 -1.160 1.00 0.00 C ATOM 733 C GLY A 47 -0.376 0.110 -1.867 1.00 0.00 C ATOM 734 O GLY A 47 0.232 1.177 -1.787 1.00 0.00 O ATOM 0 H GLY A 47 -0.880 -2.916 -1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.595 -0.834 -0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.935 -1.576 -1.762 1.00 0.00 H new ATOM 738 N ASN A 48 -1.502 -0.026 -2.554 1.00 0.00 N ATOM 739 CA ASN A 48 -2.090 1.093 -3.286 1.00 0.00 C ATOM 740 C ASN A 48 -2.674 2.148 -2.346 1.00 0.00 C ATOM 741 O ASN A 48 -3.240 3.141 -2.800 1.00 0.00 O ATOM 742 CB ASN A 48 -3.175 0.588 -4.237 1.00 0.00 C ATOM 743 CG ASN A 48 -2.614 -0.296 -5.334 1.00 0.00 C ATOM 744 OD1 ASN A 48 -2.267 0.181 -6.414 1.00 0.00 O ATOM 745 ND2 ASN A 48 -2.520 -1.590 -5.058 1.00 0.00 N ATOM 0 H ASN A 48 -2.028 -0.898 -2.621 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.291 1.564 -3.858 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.921 0.031 -3.670 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.687 1.439 -4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.147 -2.234 -5.755 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.820 -1.941 -4.148 1.00 0.00 H new ATOM 752 N PHE A 49 -2.534 1.937 -1.038 1.00 0.00 N ATOM 753 CA PHE A 49 -3.062 2.885 -0.059 1.00 0.00 C ATOM 754 C PHE A 49 -1.948 3.674 0.632 1.00 0.00 C ATOM 755 O PHE A 49 -2.178 4.784 1.113 1.00 0.00 O ATOM 756 CB PHE A 49 -3.906 2.156 0.986 1.00 0.00 C ATOM 757 CG PHE A 49 -5.313 1.870 0.538 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.601 0.744 -0.218 1.00 0.00 C ATOM 759 CD2 PHE A 49 -6.348 2.727 0.878 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.896 0.480 -0.626 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.643 2.467 0.472 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.918 1.343 -0.281 1.00 0.00 C ATOM 0 H PHE A 49 -2.064 1.126 -0.635 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.687 3.595 -0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.418 1.216 1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.939 2.756 1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.806 0.066 -0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.140 3.608 1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.108 -0.401 -1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.440 3.143 0.744 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.930 1.139 -0.600 1.00 0.00 H new ATOM 772 N GLN A 50 -0.749 3.095 0.684 1.00 0.00 N ATOM 773 CA GLN A 50 0.399 3.747 1.319 1.00 0.00 C ATOM 774 C GLN A 50 0.157 3.945 2.807 1.00 0.00 C ATOM 775 O GLN A 50 0.520 4.974 3.380 1.00 0.00 O ATOM 776 CB GLN A 50 0.692 5.093 0.660 1.00 0.00 C ATOM 777 CG GLN A 50 1.287 4.947 -0.719 1.00 0.00 C ATOM 778 CD GLN A 50 0.237 4.661 -1.776 1.00 0.00 C ATOM 779 OE1 GLN A 50 -0.895 5.137 -1.686 1.00 0.00 O ATOM 780 NE2 GLN A 50 0.599 3.870 -2.778 1.00 0.00 N ATOM 0 H GLN A 50 -0.546 2.175 0.294 1.00 0.00 H new ATOM 0 HA GLN A 50 1.263 3.095 1.188 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.231 5.670 0.594 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.378 5.660 1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.821 5.861 -0.980 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.020 4.140 -0.712 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.547 3.496 -2.816 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.071 3.636 -3.511 1.00 0.00 H new ATOM 789 N ASP A 51 -0.451 2.948 3.425 1.00 0.00 N ATOM 790 CA ASP A 51 -0.759 3.002 4.851 1.00 0.00 C ATOM 791 C ASP A 51 0.251 2.205 5.673 1.00 0.00 C ATOM 792 O ASP A 51 1.066 1.462 5.127 1.00 0.00 O ATOM 793 CB ASP A 51 -2.171 2.479 5.111 1.00 0.00 C ATOM 794 CG ASP A 51 -3.230 3.550 4.927 1.00 0.00 C ATOM 795 OD1 ASP A 51 -3.444 4.339 5.871 1.00 0.00 O ATOM 796 OD2 ASP A 51 -3.844 3.598 3.842 1.00 0.00 O ATOM 0 H ASP A 51 -0.744 2.087 2.964 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.699 4.045 5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.377 1.649 4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.228 2.086 6.126 1.00 0.00 H new ATOM 801 N GLU A 52 0.183 2.371 6.992 1.00 0.00 N ATOM 802 CA GLU A 52 1.085 1.677 7.905 1.00 0.00 C ATOM 803 C GLU A 52 0.839 0.171 7.894 1.00 0.00 C ATOM 804 O GLU A 52 1.781 -0.620 7.934 1.00 0.00 O ATOM 805 CB GLU A 52 0.918 2.225 9.324 1.00 0.00 C ATOM 806 CG GLU A 52 -0.528 2.278 9.790 1.00 0.00 C ATOM 807 CD GLU A 52 -0.669 2.840 11.191 1.00 0.00 C ATOM 808 OE1 GLU A 52 -0.530 2.063 12.159 1.00 0.00 O ATOM 809 OE2 GLU A 52 -0.918 4.057 11.321 1.00 0.00 O ATOM 0 H GLU A 52 -0.491 2.983 7.453 1.00 0.00 H new ATOM 0 HA GLU A 52 2.106 1.853 7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.491 1.605 10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.343 3.228 9.369 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.107 2.889 9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.952 1.274 9.761 1.00 0.00 H new ATOM 816 N ARG A 53 -0.427 -0.225 7.847 1.00 0.00 N ATOM 817 CA ARG A 53 -0.779 -1.644 7.828 1.00 0.00 C ATOM 818 C ARG A 53 -0.373 -2.284 6.503 1.00 0.00 C ATOM 819 O ARG A 53 -0.450 -3.500 6.345 1.00 0.00 O ATOM 820 CB ARG A 53 -2.282 -1.859 8.065 1.00 0.00 C ATOM 821 CG ARG A 53 -3.037 -0.619 8.519 1.00 0.00 C ATOM 822 CD ARG A 53 -4.279 -0.984 9.315 1.00 0.00 C ATOM 823 NE ARG A 53 -4.994 0.200 9.784 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.283 0.428 9.545 1.00 0.00 C ATOM 825 NH1 ARG A 53 -6.992 -0.438 8.834 1.00 0.00 N ATOM 826 NH2 ARG A 53 -6.862 1.524 10.013 1.00 0.00 N ATOM 0 H ARG A 53 -1.225 0.410 7.821 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.232 -2.121 8.641 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.733 -2.225 7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.410 -2.640 8.814 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.383 0.004 9.129 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.322 -0.026 7.650 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.943 -1.587 8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.995 -1.598 10.169 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.476 0.892 10.326 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.549 -1.281 8.469 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.980 -0.261 8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.320 2.195 10.557 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.850 1.697 9.829 1.00 0.00 H new ATOM 840 N ALA A 54 0.045 -1.452 5.550 1.00 0.00 N ATOM 841 CA ALA A 54 0.434 -1.931 4.225 1.00 0.00 C ATOM 842 C ALA A 54 1.905 -2.334 4.135 1.00 0.00 C ATOM 843 O ALA A 54 2.244 -3.287 3.436 1.00 0.00 O ATOM 844 CB ALA A 54 0.142 -0.863 3.185 1.00 0.00 C ATOM 0 H ALA A 54 0.123 -0.442 5.671 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.156 -2.828 4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.434 -1.225 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.924 -0.635 3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.706 0.039 3.422 1.00 0.00 H new ATOM 850 N VAL A 55 2.776 -1.614 4.833 1.00 0.00 N ATOM 851 CA VAL A 55 4.210 -1.894 4.778 1.00 0.00 C ATOM 852 C VAL A 55 4.578 -3.265 5.345 1.00 0.00 C ATOM 853 O VAL A 55 5.439 -3.952 4.796 1.00 0.00 O ATOM 854 CB VAL A 55 5.030 -0.815 5.511 1.00 0.00 C ATOM 855 CG1 VAL A 55 4.832 0.541 4.853 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.663 -0.755 6.985 1.00 0.00 C ATOM 0 H VAL A 55 2.519 -0.836 5.441 1.00 0.00 H new ATOM 0 HA VAL A 55 4.459 -1.888 3.717 1.00 0.00 H new ATOM 0 HB VAL A 55 6.084 -1.085 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.418 1.292 5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.159 0.493 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.777 0.812 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.257 0.015 7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.604 -0.517 7.087 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.864 -1.720 7.450 1.00 0.00 H new ATOM 866 N GLU A 56 3.932 -3.666 6.436 1.00 0.00 N ATOM 867 CA GLU A 56 4.239 -4.951 7.066 1.00 0.00 C ATOM 868 C GLU A 56 4.018 -6.130 6.111 1.00 0.00 C ATOM 869 O GLU A 56 4.925 -6.940 5.920 1.00 0.00 O ATOM 870 CB GLU A 56 3.426 -5.146 8.349 1.00 0.00 C ATOM 871 CG GLU A 56 3.919 -6.306 9.197 1.00 0.00 C ATOM 872 CD GLU A 56 5.021 -5.899 10.154 1.00 0.00 C ATOM 873 OE1 GLU A 56 4.699 -5.393 11.250 1.00 0.00 O ATOM 874 OE2 GLU A 56 6.207 -6.085 9.809 1.00 0.00 O ATOM 0 H GLU A 56 3.200 -3.128 6.900 1.00 0.00 H new ATOM 0 HA GLU A 56 5.298 -4.929 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.465 -4.230 8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.381 -5.313 8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.084 -6.718 9.764 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.284 -7.099 8.545 1.00 0.00 H new ATOM 881 N PRO A 57 2.817 -6.263 5.506 1.00 0.00 N ATOM 882 CA PRO A 57 2.526 -7.358 4.572 1.00 0.00 C ATOM 883 C PRO A 57 3.637 -7.563 3.551 1.00 0.00 C ATOM 884 O PRO A 57 4.145 -8.671 3.385 1.00 0.00 O ATOM 885 CB PRO A 57 1.251 -6.889 3.876 1.00 0.00 C ATOM 886 CG PRO A 57 0.564 -6.048 4.891 1.00 0.00 C ATOM 887 CD PRO A 57 1.653 -5.374 5.682 1.00 0.00 C ATOM 0 HA PRO A 57 2.430 -8.316 5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.477 -6.319 2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.631 -7.732 3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.083 -5.312 4.414 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.068 -6.656 5.538 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.856 -4.370 5.309 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.381 -5.274 6.733 1.00 0.00 H new ATOM 895 N LEU A 58 4.017 -6.483 2.881 1.00 0.00 N ATOM 896 CA LEU A 58 5.056 -6.532 1.860 1.00 0.00 C ATOM 897 C LEU A 58 6.346 -7.162 2.388 1.00 0.00 C ATOM 898 O LEU A 58 7.103 -7.766 1.630 1.00 0.00 O ATOM 899 CB LEU A 58 5.339 -5.120 1.338 1.00 0.00 C ATOM 900 CG LEU A 58 4.097 -4.247 1.128 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.487 -2.861 0.642 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.137 -4.902 0.147 1.00 0.00 C ATOM 0 H LEU A 58 3.618 -5.556 3.028 1.00 0.00 H new ATOM 0 HA LEU A 58 4.692 -7.159 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.005 -4.616 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.874 -5.199 0.391 1.00 0.00 H new ATOM 0 HG LEU A 58 3.591 -4.145 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.589 -2.259 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.130 -2.384 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.021 -2.944 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.263 -4.265 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.635 -5.040 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.824 -5.871 0.536 1.00 0.00 H new ATOM 914 N ILE A 59 6.590 -7.022 3.688 1.00 0.00 N ATOM 915 CA ILE A 59 7.798 -7.572 4.300 1.00 0.00 C ATOM 916 C ILE A 59 7.848 -9.100 4.210 1.00 0.00 C ATOM 917 O ILE A 59 8.763 -9.666 3.611 1.00 0.00 O ATOM 918 CB ILE A 59 7.914 -7.153 5.783 1.00 0.00 C ATOM 919 CG1 ILE A 59 7.997 -5.628 5.908 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.122 -7.811 6.436 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.223 -5.021 5.256 1.00 0.00 C ATOM 0 H ILE A 59 5.971 -6.535 4.336 1.00 0.00 H new ATOM 0 HA ILE A 59 8.637 -7.163 3.737 1.00 0.00 H new ATOM 0 HB ILE A 59 7.018 -7.492 6.304 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.105 -5.188 5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.990 -5.360 6.964 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.185 -7.502 7.480 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.019 -8.895 6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.029 -7.507 5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.208 -3.939 5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.121 -5.430 5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.223 -5.256 4.192 1.00 0.00 H new ATOM 933 N LYS A 60 6.861 -9.757 4.810 1.00 0.00 N ATOM 934 CA LYS A 60 6.794 -11.220 4.823 1.00 0.00 C ATOM 935 C LYS A 60 6.475 -11.803 3.448 1.00 0.00 C ATOM 936 O LYS A 60 6.577 -13.012 3.244 1.00 0.00 O ATOM 937 CB LYS A 60 5.744 -11.689 5.833 1.00 0.00 C ATOM 938 CG LYS A 60 6.227 -11.678 7.275 1.00 0.00 C ATOM 939 CD LYS A 60 6.604 -10.279 7.733 1.00 0.00 C ATOM 940 CE LYS A 60 7.083 -10.277 9.174 1.00 0.00 C ATOM 941 NZ LYS A 60 6.025 -10.750 10.110 1.00 0.00 N ATOM 0 H LYS A 60 6.091 -9.299 5.297 1.00 0.00 H new ATOM 0 HA LYS A 60 7.781 -11.581 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.864 -11.051 5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.430 -12.700 5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.445 -12.074 7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.089 -12.338 7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.387 -9.882 7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.743 -9.618 7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.961 -10.916 9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.391 -9.269 9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.295 -10.515 11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.124 -10.285 9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.917 -11.780 10.019 1.00 0.00 H new ATOM 955 N LEU A 61 6.095 -10.946 2.511 1.00 0.00 N ATOM 956 CA LEU A 61 5.732 -11.390 1.166 1.00 0.00 C ATOM 957 C LEU A 61 6.947 -11.585 0.266 1.00 0.00 C ATOM 958 O LEU A 61 7.083 -12.621 -0.386 1.00 0.00 O ATOM 959 CB LEU A 61 4.783 -10.376 0.535 1.00 0.00 C ATOM 960 CG LEU A 61 3.296 -10.558 0.860 1.00 0.00 C ATOM 961 CD1 LEU A 61 3.092 -11.190 2.234 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.582 -9.220 0.784 1.00 0.00 C ATOM 0 H LEU A 61 6.029 -9.938 2.654 1.00 0.00 H new ATOM 0 HA LEU A 61 5.244 -12.360 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.085 -9.378 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.906 -10.417 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 61 2.872 -11.237 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.025 -11.303 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.571 -12.169 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.534 -10.550 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.526 -9.357 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.025 -8.530 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.682 -8.811 -0.221 1.00 0.00 H new ATOM 974 N LEU A 62 7.821 -10.587 0.226 1.00 0.00 N ATOM 975 CA LEU A 62 9.018 -10.642 -0.607 1.00 0.00 C ATOM 976 C LEU A 62 9.868 -11.867 -0.284 1.00 0.00 C ATOM 977 O LEU A 62 10.818 -12.180 -1.003 1.00 0.00 O ATOM 978 CB LEU A 62 9.834 -9.366 -0.416 1.00 0.00 C ATOM 979 CG LEU A 62 9.068 -8.074 -0.700 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.704 -6.903 0.032 1.00 0.00 C ATOM 981 CD2 LEU A 62 9.018 -7.810 -2.199 1.00 0.00 C ATOM 0 H LEU A 62 7.723 -9.725 0.763 1.00 0.00 H new ATOM 0 HA LEU A 62 8.707 -10.723 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.203 -9.336 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.706 -9.407 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 62 8.047 -8.187 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.145 -5.993 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.689 -7.093 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.735 -6.782 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.470 -6.887 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.033 -7.715 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.516 -8.639 -2.698 1.00 0.00 H new ATOM 993 N GLU A 63 9.525 -12.557 0.798 1.00 0.00 N ATOM 994 CA GLU A 63 10.253 -13.750 1.206 1.00 0.00 C ATOM 995 C GLU A 63 9.316 -14.950 1.325 1.00 0.00 C ATOM 996 O GLU A 63 9.764 -16.082 1.511 1.00 0.00 O ATOM 997 CB GLU A 63 10.968 -13.500 2.534 1.00 0.00 C ATOM 998 CG GLU A 63 12.467 -13.289 2.386 1.00 0.00 C ATOM 999 CD GLU A 63 13.147 -12.969 3.703 1.00 0.00 C ATOM 1000 OE1 GLU A 63 13.203 -11.774 4.067 1.00 0.00 O ATOM 1001 OE2 GLU A 63 13.626 -13.910 4.369 1.00 0.00 O ATOM 0 H GLU A 63 8.746 -12.309 1.408 1.00 0.00 H new ATOM 0 HA GLU A 63 10.995 -13.977 0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.531 -12.624 3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.792 -14.347 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.915 -14.186 1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.647 -12.477 1.682 1.00 0.00 H new ATOM 1008 N ASP A 64 8.014 -14.695 1.222 1.00 0.00 N ATOM 1009 CA ASP A 64 7.014 -15.756 1.318 1.00 0.00 C ATOM 1010 C ASP A 64 7.198 -16.789 0.217 1.00 0.00 C ATOM 1011 O ASP A 64 7.031 -17.989 0.437 1.00 0.00 O ATOM 1012 CB ASP A 64 5.602 -15.173 1.259 1.00 0.00 C ATOM 1013 CG ASP A 64 4.594 -16.030 1.999 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.178 -17.069 1.446 1.00 0.00 O ATOM 1015 OD2 ASP A 64 4.224 -15.665 3.135 1.00 0.00 O ATOM 0 H ASP A 64 7.627 -13.763 1.072 1.00 0.00 H new ATOM 0 HA ASP A 64 7.151 -16.253 2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.607 -14.171 1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.296 -15.073 0.218 1.00 0.00 H new ATOM 1020 N ASP A 65 7.535 -16.301 -0.963 1.00 0.00 N ATOM 1021 CA ASP A 65 7.752 -17.152 -2.131 1.00 0.00 C ATOM 1022 C ASP A 65 6.469 -17.867 -2.540 1.00 0.00 C ATOM 1023 O ASP A 65 6.514 -18.921 -3.175 1.00 0.00 O ATOM 1024 CB ASP A 65 8.853 -18.181 -1.854 1.00 0.00 C ATOM 1025 CG ASP A 65 10.202 -17.536 -1.605 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.739 -16.904 -2.538 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.721 -17.665 -0.477 1.00 0.00 O ATOM 0 H ASP A 65 7.667 -15.306 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 65 8.065 -16.508 -2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.575 -18.781 -0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.931 -18.862 -2.701 1.00 0.00 H new ATOM 1032 N SER A 66 5.326 -17.288 -2.184 1.00 0.00 N ATOM 1033 CA SER A 66 4.041 -17.886 -2.523 1.00 0.00 C ATOM 1034 C SER A 66 3.609 -17.507 -3.938 1.00 0.00 C ATOM 1035 O SER A 66 2.490 -17.808 -4.355 1.00 0.00 O ATOM 1036 CB SER A 66 2.976 -17.458 -1.514 1.00 0.00 C ATOM 1037 OG SER A 66 2.852 -18.408 -0.471 1.00 0.00 O ATOM 0 H SER A 66 5.264 -16.412 -1.665 1.00 0.00 H new ATOM 0 HA SER A 66 4.154 -18.969 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.237 -16.486 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.017 -17.341 -2.020 1.00 0.00 H new ATOM 0 HG SER A 66 3.077 -17.986 0.384 1.00 0.00 H new ATOM 1043 N GLY A 67 4.504 -16.854 -4.673 1.00 0.00 N ATOM 1044 CA GLY A 67 4.196 -16.447 -6.034 1.00 0.00 C ATOM 1045 C GLY A 67 3.218 -15.292 -6.086 1.00 0.00 C ATOM 1046 O GLY A 67 3.611 -14.149 -6.308 1.00 0.00 O ATOM 0 H GLY A 67 5.438 -16.599 -4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.117 -16.162 -6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.781 -17.295 -6.578 1.00 0.00 H new ATOM 1050 N PHE A 68 1.939 -15.591 -5.890 1.00 0.00 N ATOM 1051 CA PHE A 68 0.901 -14.567 -5.903 1.00 0.00 C ATOM 1052 C PHE A 68 1.122 -13.588 -4.758 1.00 0.00 C ATOM 1053 O PHE A 68 1.148 -12.373 -4.952 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.477 -15.221 -5.760 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.616 -14.428 -6.349 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.700 -13.048 -6.195 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -2.616 -15.078 -7.054 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.759 -12.342 -6.735 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -3.674 -14.376 -7.595 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.746 -13.006 -7.436 1.00 0.00 C ATOM 0 H PHE A 68 1.595 -16.536 -5.720 1.00 0.00 H new ATOM 0 HA PHE A 68 0.948 -14.028 -6.849 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.450 -16.201 -6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.677 -15.387 -4.701 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.931 -12.523 -5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.567 -16.149 -7.182 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.814 -11.271 -6.608 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.445 -14.898 -8.142 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.573 -12.455 -7.859 1.00 0.00 H new ATOM 1070 N VAL A 69 1.285 -14.140 -3.562 1.00 0.00 N ATOM 1071 CA VAL A 69 1.502 -13.345 -2.364 1.00 0.00 C ATOM 1072 C VAL A 69 2.798 -12.544 -2.455 1.00 0.00 C ATOM 1073 O VAL A 69 2.835 -11.364 -2.106 1.00 0.00 O ATOM 1074 CB VAL A 69 1.546 -14.242 -1.113 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.580 -13.406 0.153 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.361 -15.195 -1.097 1.00 0.00 C ATOM 0 H VAL A 69 1.270 -15.147 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 69 0.666 -12.651 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 69 2.461 -14.833 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.611 -14.063 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.466 -12.771 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.687 -12.782 0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.409 -15.821 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.566 -14.622 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.390 -15.826 -1.985 1.00 0.00 H new ATOM 1086 N ARG A 70 3.858 -13.190 -2.930 1.00 0.00 N ATOM 1087 CA ARG A 70 5.157 -12.537 -3.060 1.00 0.00 C ATOM 1088 C ARG A 70 5.119 -11.435 -4.117 1.00 0.00 C ATOM 1089 O ARG A 70 5.374 -10.269 -3.818 1.00 0.00 O ATOM 1090 CB ARG A 70 6.235 -13.564 -3.415 1.00 0.00 C ATOM 1091 CG ARG A 70 7.642 -12.987 -3.415 1.00 0.00 C ATOM 1092 CD ARG A 70 8.672 -14.023 -3.832 1.00 0.00 C ATOM 1093 NE ARG A 70 8.395 -14.567 -5.159 1.00 0.00 N ATOM 1094 CZ ARG A 70 9.297 -15.212 -5.893 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.529 -15.384 -5.434 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.968 -15.683 -7.087 1.00 0.00 N ATOM 0 H ARG A 70 3.844 -14.164 -3.231 1.00 0.00 H new ATOM 0 HA ARG A 70 5.399 -12.081 -2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.189 -14.389 -2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.021 -13.979 -4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.686 -12.135 -4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.883 -12.614 -2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.664 -13.571 -3.825 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.686 -14.834 -3.104 1.00 0.00 H new ATOM 0 HE ARG A 70 7.458 -14.445 -5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.787 -15.021 -4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.219 -15.879 -5.999 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.022 -15.551 -7.444 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.661 -16.178 -7.649 1.00 0.00 H new ATOM 1110 N SER A 71 4.803 -11.816 -5.353 1.00 0.00 N ATOM 1111 CA SER A 71 4.732 -10.865 -6.459 1.00 0.00 C ATOM 1112 C SER A 71 3.850 -9.674 -6.105 1.00 0.00 C ATOM 1113 O SER A 71 4.042 -8.573 -6.621 1.00 0.00 O ATOM 1114 CB SER A 71 4.200 -11.549 -7.719 1.00 0.00 C ATOM 1115 OG SER A 71 5.049 -12.611 -8.119 1.00 0.00 O ATOM 0 H SER A 71 4.592 -12.779 -5.614 1.00 0.00 H new ATOM 0 HA SER A 71 5.742 -10.501 -6.650 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.196 -11.932 -7.533 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.119 -10.820 -8.526 1.00 0.00 H new ATOM 0 HG SER A 71 4.810 -13.424 -7.627 1.00 0.00 H new ATOM 1121 N GLY A 72 2.882 -9.899 -5.223 1.00 0.00 N ATOM 1122 CA GLY A 72 1.992 -8.831 -4.814 1.00 0.00 C ATOM 1123 C GLY A 72 2.735 -7.690 -4.150 1.00 0.00 C ATOM 1124 O GLY A 72 2.498 -6.522 -4.456 1.00 0.00 O ATOM 0 H GLY A 72 2.699 -10.802 -4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.455 -8.455 -5.684 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.246 -9.226 -4.125 1.00 0.00 H new ATOM 1128 N ALA A 73 3.634 -8.032 -3.235 1.00 0.00 N ATOM 1129 CA ALA A 73 4.421 -7.031 -2.529 1.00 0.00 C ATOM 1130 C ALA A 73 5.379 -6.319 -3.476 1.00 0.00 C ATOM 1131 O ALA A 73 5.629 -5.123 -3.336 1.00 0.00 O ATOM 1132 CB ALA A 73 5.197 -7.676 -1.394 1.00 0.00 C ATOM 0 H ALA A 73 3.835 -8.995 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 73 3.734 -6.292 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.781 -6.916 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.501 -8.140 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.867 -8.436 -1.797 1.00 0.00 H new ATOM 1138 N ALA A 74 5.911 -7.066 -4.439 1.00 0.00 N ATOM 1139 CA ALA A 74 6.848 -6.513 -5.409 1.00 0.00 C ATOM 1140 C ALA A 74 6.269 -5.289 -6.108 1.00 0.00 C ATOM 1141 O ALA A 74 6.935 -4.260 -6.234 1.00 0.00 O ATOM 1142 CB ALA A 74 7.228 -7.571 -6.433 1.00 0.00 C ATOM 0 H ALA A 74 5.708 -8.057 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 74 7.741 -6.199 -4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.928 -7.146 -7.152 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.695 -8.416 -5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.333 -7.910 -6.955 1.00 0.00 H new ATOM 1148 N ARG A 75 5.025 -5.405 -6.561 1.00 0.00 N ATOM 1149 CA ARG A 75 4.358 -4.309 -7.254 1.00 0.00 C ATOM 1150 C ARG A 75 3.839 -3.261 -6.272 1.00 0.00 C ATOM 1151 O ARG A 75 3.874 -2.066 -6.559 1.00 0.00 O ATOM 1152 CB ARG A 75 3.205 -4.845 -8.107 1.00 0.00 C ATOM 1153 CG ARG A 75 2.296 -5.815 -7.370 1.00 0.00 C ATOM 1154 CD ARG A 75 1.085 -6.192 -8.209 1.00 0.00 C ATOM 1155 NE ARG A 75 1.464 -6.663 -9.540 1.00 0.00 N ATOM 1156 CZ ARG A 75 0.905 -6.224 -10.665 1.00 0.00 C ATOM 1157 NH1 ARG A 75 -0.052 -5.307 -10.622 1.00 0.00 N ATOM 1158 NH2 ARG A 75 1.303 -6.704 -11.836 1.00 0.00 N ATOM 0 H ARG A 75 4.458 -6.247 -6.461 1.00 0.00 H new ATOM 0 HA ARG A 75 5.092 -3.829 -7.902 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.610 -4.005 -8.466 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.616 -5.343 -8.985 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.855 -6.714 -7.112 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.965 -5.365 -6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.518 -6.970 -7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.427 -5.328 -8.304 1.00 0.00 H new ATOM 0 HE ARG A 75 2.198 -7.368 -9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.362 -4.935 -9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.478 -4.973 -11.487 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.038 -7.410 -11.875 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.874 -6.367 -12.698 1.00 0.00 H new ATOM 1172 N SER A 76 3.368 -3.712 -5.115 1.00 0.00 N ATOM 1173 CA SER A 76 2.832 -2.808 -4.099 1.00 0.00 C ATOM 1174 C SER A 76 3.870 -1.787 -3.639 1.00 0.00 C ATOM 1175 O SER A 76 3.554 -0.611 -3.460 1.00 0.00 O ATOM 1176 CB SER A 76 2.315 -3.603 -2.901 1.00 0.00 C ATOM 1177 OG SER A 76 1.150 -4.332 -3.240 1.00 0.00 O ATOM 0 H SER A 76 3.346 -4.698 -4.855 1.00 0.00 H new ATOM 0 HA SER A 76 2.007 -2.260 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.088 -4.288 -2.553 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.096 -2.924 -2.077 1.00 0.00 H new ATOM 0 HG SER A 76 0.874 -4.882 -2.477 1.00 0.00 H new ATOM 1183 N LEU A 77 5.107 -2.237 -3.443 1.00 0.00 N ATOM 1184 CA LEU A 77 6.176 -1.345 -2.998 1.00 0.00 C ATOM 1185 C LEU A 77 6.408 -0.234 -4.013 1.00 0.00 C ATOM 1186 O LEU A 77 6.263 0.947 -3.698 1.00 0.00 O ATOM 1187 CB LEU A 77 7.465 -2.135 -2.783 1.00 0.00 C ATOM 1188 CG LEU A 77 7.383 -3.220 -1.711 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.372 -4.326 -2.012 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.649 -2.635 -0.333 1.00 0.00 C ATOM 0 H LEU A 77 5.393 -3.206 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 77 5.874 -0.892 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.752 -2.598 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.260 -1.439 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 77 6.376 -3.636 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.305 -5.094 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.142 -4.765 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.382 -3.916 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.586 -3.425 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.645 -2.193 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.907 -1.867 -0.114 1.00 0.00 H new ATOM 1202 N GLU A 78 6.777 -0.618 -5.233 1.00 0.00 N ATOM 1203 CA GLU A 78 7.003 0.348 -6.301 1.00 0.00 C ATOM 1204 C GLU A 78 5.786 1.249 -6.474 1.00 0.00 C ATOM 1205 O GLU A 78 5.916 2.425 -6.816 1.00 0.00 O ATOM 1206 CB GLU A 78 7.324 -0.370 -7.612 1.00 0.00 C ATOM 1207 CG GLU A 78 8.535 -1.285 -7.518 1.00 0.00 C ATOM 1208 CD GLU A 78 9.021 -1.752 -8.876 1.00 0.00 C ATOM 1209 OE1 GLU A 78 8.458 -2.735 -9.402 1.00 0.00 O ATOM 1210 OE2 GLU A 78 9.964 -1.135 -9.415 1.00 0.00 O ATOM 0 H GLU A 78 6.925 -1.590 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 78 7.856 0.969 -6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.458 -0.956 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.498 0.372 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.343 -0.761 -7.008 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.283 -2.153 -6.908 1.00 0.00 H new ATOM 1217 N GLN A 79 4.602 0.691 -6.236 1.00 0.00 N ATOM 1218 CA GLN A 79 3.366 1.455 -6.343 1.00 0.00 C ATOM 1219 C GLN A 79 3.365 2.575 -5.311 1.00 0.00 C ATOM 1220 O GLN A 79 2.975 3.706 -5.601 1.00 0.00 O ATOM 1221 CB GLN A 79 2.153 0.544 -6.135 1.00 0.00 C ATOM 1222 CG GLN A 79 1.742 -0.218 -7.385 1.00 0.00 C ATOM 1223 CD GLN A 79 0.977 -1.493 -7.074 1.00 0.00 C ATOM 1224 OE1 GLN A 79 1.037 -2.463 -7.828 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.254 -1.498 -5.960 1.00 0.00 N ATOM 0 H GLN A 79 4.474 -0.285 -5.969 1.00 0.00 H new ATOM 0 HA GLN A 79 3.304 1.887 -7.342 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.377 -0.169 -5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.311 1.146 -5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.125 0.427 -8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.632 -0.466 -7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.232 -0.672 -5.363 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.279 -2.328 -5.702 1.00 0.00 H new ATOM 1234 N ILE A 80 3.809 2.243 -4.103 1.00 0.00 N ATOM 1235 CA ILE A 80 3.887 3.204 -3.018 1.00 0.00 C ATOM 1236 C ILE A 80 4.889 4.313 -3.333 1.00 0.00 C ATOM 1237 O ILE A 80 4.526 5.487 -3.396 1.00 0.00 O ATOM 1238 CB ILE A 80 4.279 2.503 -1.701 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.140 1.595 -1.232 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.616 3.530 -0.634 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.524 0.671 -0.096 1.00 0.00 C ATOM 0 H ILE A 80 4.122 1.305 -3.853 1.00 0.00 H new ATOM 0 HA ILE A 80 2.901 3.654 -2.903 1.00 0.00 H new ATOM 0 HB ILE A 80 5.164 1.891 -1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.300 2.214 -0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.795 0.996 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.890 3.019 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.451 4.144 -0.971 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.749 4.165 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.666 0.059 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.343 0.025 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.841 1.263 0.763 1.00 0.00 H new ATOM 1253 N GLY A 81 6.148 3.934 -3.535 1.00 0.00 N ATOM 1254 CA GLY A 81 7.180 4.909 -3.846 1.00 0.00 C ATOM 1255 C GLY A 81 7.500 5.823 -2.677 1.00 0.00 C ATOM 1256 O GLY A 81 6.597 6.352 -2.029 1.00 0.00 O ATOM 0 H GLY A 81 6.473 2.968 -3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.087 4.386 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.859 5.512 -4.695 1.00 0.00 H new ATOM 1260 N GLY A 82 8.791 6.008 -2.410 1.00 0.00 N ATOM 1261 CA GLY A 82 9.208 6.866 -1.316 1.00 0.00 C ATOM 1262 C GLY A 82 10.281 6.229 -0.452 1.00 0.00 C ATOM 1263 O GLY A 82 10.506 5.021 -0.520 1.00 0.00 O ATOM 0 H GLY A 82 9.555 5.579 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.582 7.807 -1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.343 7.106 -0.697 1.00 0.00 H new ATOM 1267 N GLU A 83 10.945 7.047 0.362 1.00 0.00 N ATOM 1268 CA GLU A 83 11.999 6.559 1.246 1.00 0.00 C ATOM 1269 C GLU A 83 11.428 5.611 2.295 1.00 0.00 C ATOM 1270 O GLU A 83 12.150 4.791 2.863 1.00 0.00 O ATOM 1271 CB GLU A 83 12.706 7.732 1.931 1.00 0.00 C ATOM 1272 CG GLU A 83 11.790 8.570 2.810 1.00 0.00 C ATOM 1273 CD GLU A 83 12.491 9.780 3.394 1.00 0.00 C ATOM 1274 OE1 GLU A 83 13.087 9.653 4.485 1.00 0.00 O ATOM 1275 OE2 GLU A 83 12.444 10.856 2.760 1.00 0.00 O ATOM 0 H GLU A 83 10.771 8.050 0.427 1.00 0.00 H new ATOM 0 HA GLU A 83 12.723 6.013 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.525 7.346 2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.149 8.373 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.932 8.899 2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.404 7.952 3.621 1.00 0.00 H new ATOM 1282 N ARG A 84 10.130 5.734 2.550 1.00 0.00 N ATOM 1283 CA ARG A 84 9.460 4.889 3.531 1.00 0.00 C ATOM 1284 C ARG A 84 9.559 3.415 3.147 1.00 0.00 C ATOM 1285 O ARG A 84 9.997 2.587 3.946 1.00 0.00 O ATOM 1286 CB ARG A 84 7.991 5.311 3.699 1.00 0.00 C ATOM 1287 CG ARG A 84 7.289 5.696 2.400 1.00 0.00 C ATOM 1288 CD ARG A 84 6.544 4.525 1.793 1.00 0.00 C ATOM 1289 NE ARG A 84 5.659 3.882 2.763 1.00 0.00 N ATOM 1290 CZ ARG A 84 4.431 4.311 3.039 1.00 0.00 C ATOM 1291 NH1 ARG A 84 3.939 5.372 2.413 1.00 0.00 N ATOM 1292 NH2 ARG A 84 3.694 3.680 3.942 1.00 0.00 N ATOM 0 H ARG A 84 9.521 6.411 2.091 1.00 0.00 H new ATOM 0 HA ARG A 84 9.966 5.020 4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.442 4.492 4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.946 6.156 4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.591 6.511 2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.024 6.068 1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.959 4.869 0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.260 3.795 1.415 1.00 0.00 H new ATOM 0 HE ARG A 84 6.003 3.058 3.256 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.503 5.861 1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.997 5.699 2.627 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.069 2.864 4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.752 4.010 4.153 1.00 0.00 H new ATOM 1306 N VAL A 85 9.151 3.093 1.928 1.00 0.00 N ATOM 1307 CA VAL A 85 9.207 1.722 1.443 1.00 0.00 C ATOM 1308 C VAL A 85 10.653 1.306 1.204 1.00 0.00 C ATOM 1309 O VAL A 85 10.994 0.124 1.273 1.00 0.00 O ATOM 1310 CB VAL A 85 8.383 1.550 0.145 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.945 0.438 -0.729 1.00 0.00 C ATOM 1312 CG2 VAL A 85 6.926 1.269 0.479 1.00 0.00 C ATOM 0 H VAL A 85 8.777 3.763 1.256 1.00 0.00 H new ATOM 0 HA VAL A 85 8.771 1.079 2.207 1.00 0.00 H new ATOM 0 HB VAL A 85 8.448 2.482 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.342 0.345 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.973 0.675 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.923 -0.503 -0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.358 1.150 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.858 0.354 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.517 2.101 1.052 1.00 0.00 H new ATOM 1322 N ARG A 86 11.502 2.294 0.936 1.00 0.00 N ATOM 1323 CA ARG A 86 12.915 2.041 0.683 1.00 0.00 C ATOM 1324 C ARG A 86 13.524 1.208 1.805 1.00 0.00 C ATOM 1325 O ARG A 86 14.430 0.410 1.574 1.00 0.00 O ATOM 1326 CB ARG A 86 13.674 3.361 0.536 1.00 0.00 C ATOM 1327 CG ARG A 86 15.153 3.185 0.240 1.00 0.00 C ATOM 1328 CD ARG A 86 15.855 4.526 0.105 1.00 0.00 C ATOM 1329 NE ARG A 86 17.269 4.375 -0.226 1.00 0.00 N ATOM 1330 CZ ARG A 86 18.164 5.352 -0.110 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.796 6.541 0.348 1.00 0.00 N ATOM 1332 NH2 ARG A 86 19.428 5.139 -0.447 1.00 0.00 N ATOM 0 H ARG A 86 11.235 3.277 0.889 1.00 0.00 H new ATOM 0 HA ARG A 86 12.999 1.480 -0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.219 3.944 -0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.562 3.938 1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.619 2.607 1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.276 2.614 -0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.363 5.116 -0.668 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.759 5.081 1.038 1.00 0.00 H new ATOM 0 HE ARG A 86 17.589 3.468 -0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.825 6.708 0.612 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.484 7.289 0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.716 4.225 -0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 86 20.113 5.889 -0.357 1.00 0.00 H new ATOM 1346 N ALA A 87 13.012 1.393 3.019 1.00 0.00 N ATOM 1347 CA ALA A 87 13.499 0.655 4.176 1.00 0.00 C ATOM 1348 C ALA A 87 13.235 -0.833 4.005 1.00 0.00 C ATOM 1349 O ALA A 87 14.104 -1.663 4.266 1.00 0.00 O ATOM 1350 CB ALA A 87 12.840 1.169 5.448 1.00 0.00 C ATOM 0 H ALA A 87 12.259 2.049 3.225 1.00 0.00 H new ATOM 0 HA ALA A 87 14.575 0.808 4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.214 0.608 6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.073 2.226 5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.760 1.042 5.375 1.00 0.00 H new ATOM 1356 N ALA A 88 12.024 -1.162 3.564 1.00 0.00 N ATOM 1357 CA ALA A 88 11.648 -2.549 3.344 1.00 0.00 C ATOM 1358 C ALA A 88 12.548 -3.177 2.290 1.00 0.00 C ATOM 1359 O ALA A 88 12.896 -4.355 2.375 1.00 0.00 O ATOM 1360 CB ALA A 88 10.188 -2.647 2.929 1.00 0.00 C ATOM 0 H ALA A 88 11.290 -0.486 3.353 1.00 0.00 H new ATOM 0 HA ALA A 88 11.774 -3.096 4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.925 -3.693 2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.558 -2.230 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.034 -2.088 2.006 1.00 0.00 H new ATOM 1366 N MET A 89 12.921 -2.377 1.295 1.00 0.00 N ATOM 1367 CA MET A 89 13.798 -2.846 0.232 1.00 0.00 C ATOM 1368 C MET A 89 15.179 -3.115 0.795 1.00 0.00 C ATOM 1369 O MET A 89 15.813 -4.109 0.458 1.00 0.00 O ATOM 1370 CB MET A 89 13.891 -1.815 -0.887 1.00 0.00 C ATOM 1371 CG MET A 89 12.577 -1.130 -1.187 1.00 0.00 C ATOM 1372 SD MET A 89 11.198 -2.285 -1.330 1.00 0.00 S ATOM 1373 CE MET A 89 11.055 -2.438 -3.109 1.00 0.00 C ATOM 0 H MET A 89 12.629 -1.404 1.205 1.00 0.00 H new ATOM 0 HA MET A 89 13.384 -3.766 -0.180 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.631 -1.062 -0.616 1.00 0.00 H new ATOM 0 HB3 MET A 89 14.251 -2.304 -1.792 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.360 -0.410 -0.398 1.00 0.00 H new ATOM 0 HG3 MET A 89 12.670 -0.567 -2.116 1.00 0.00 H new ATOM 0 HE1 MET A 89 10.973 -3.491 -3.378 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.167 -1.906 -3.450 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.938 -2.010 -3.583 1.00 0.00 H new ATOM 1383 N GLU A 90 15.644 -2.203 1.639 1.00 0.00 N ATOM 1384 CA GLU A 90 16.944 -2.350 2.281 1.00 0.00 C ATOM 1385 C GLU A 90 16.988 -3.657 3.058 1.00 0.00 C ATOM 1386 O GLU A 90 18.019 -4.327 3.117 1.00 0.00 O ATOM 1387 CB GLU A 90 17.214 -1.179 3.228 1.00 0.00 C ATOM 1388 CG GLU A 90 17.376 0.158 2.524 1.00 0.00 C ATOM 1389 CD GLU A 90 18.594 0.202 1.622 1.00 0.00 C ATOM 1390 OE1 GLU A 90 18.468 -0.165 0.436 1.00 0.00 O ATOM 1391 OE2 GLU A 90 19.673 0.608 2.103 1.00 0.00 O ATOM 0 H GLU A 90 15.140 -1.354 1.895 1.00 0.00 H new ATOM 0 HA GLU A 90 17.713 -2.358 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.394 -1.105 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 90 18.117 -1.389 3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.484 0.363 1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.453 0.949 3.270 1.00 0.00 H new ATOM 1398 N LYS A 91 15.853 -4.012 3.655 1.00 0.00 N ATOM 1399 CA LYS A 91 15.747 -5.244 4.431 1.00 0.00 C ATOM 1400 C LYS A 91 15.655 -6.466 3.521 1.00 0.00 C ATOM 1401 O LYS A 91 16.066 -7.562 3.901 1.00 0.00 O ATOM 1402 CB LYS A 91 14.524 -5.189 5.351 1.00 0.00 C ATOM 1403 CG LYS A 91 14.564 -4.048 6.354 1.00 0.00 C ATOM 1404 CD LYS A 91 15.591 -4.297 7.448 1.00 0.00 C ATOM 1405 CE LYS A 91 15.497 -3.250 8.546 1.00 0.00 C ATOM 1406 NZ LYS A 91 14.189 -3.307 9.256 1.00 0.00 N ATOM 0 H LYS A 91 14.994 -3.464 3.616 1.00 0.00 H new ATOM 0 HA LYS A 91 16.649 -5.335 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.626 -5.093 4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.444 -6.133 5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.800 -3.118 5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.578 -3.922 6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.437 -5.288 7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.593 -4.287 7.018 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.305 -3.400 9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.633 -2.258 8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.271 -2.826 10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.462 -2.835 8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.919 -4.300 9.408 1.00 0.00 H new ATOM 1420 N LEU A 92 15.107 -6.279 2.326 1.00 0.00 N ATOM 1421 CA LEU A 92 14.970 -7.368 1.374 1.00 0.00 C ATOM 1422 C LEU A 92 16.239 -7.501 0.528 1.00 0.00 C ATOM 1423 O LEU A 92 16.531 -8.568 -0.011 1.00 0.00 O ATOM 1424 CB LEU A 92 13.734 -7.124 0.500 1.00 0.00 C ATOM 1425 CG LEU A 92 13.864 -7.538 -0.963 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.834 -9.053 -1.097 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.754 -6.906 -1.789 1.00 0.00 C ATOM 0 H LEU A 92 14.751 -5.382 1.996 1.00 0.00 H new ATOM 0 HA LEU A 92 14.836 -8.308 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.892 -7.661 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.489 -6.062 0.537 1.00 0.00 H new ATOM 0 HG LEU A 92 14.823 -7.183 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.928 -9.327 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.662 -9.485 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.891 -9.434 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.858 -7.209 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.786 -7.235 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.821 -5.820 -1.719 1.00 0.00 H new ATOM 1439 N ALA A 93 16.990 -6.410 0.432 1.00 0.00 N ATOM 1440 CA ALA A 93 18.227 -6.384 -0.343 1.00 0.00 C ATOM 1441 C ALA A 93 19.288 -7.292 0.272 1.00 0.00 C ATOM 1442 O ALA A 93 20.134 -7.837 -0.437 1.00 0.00 O ATOM 1443 CB ALA A 93 18.748 -4.958 -0.450 1.00 0.00 C ATOM 0 H ALA A 93 16.762 -5.525 0.885 1.00 0.00 H new ATOM 0 HA ALA A 93 18.007 -6.759 -1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.671 -4.950 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 93 18.003 -4.335 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.944 -4.566 0.548 1.00 0.00 H new ATOM 1449 N GLU A 94 19.239 -7.453 1.593 1.00 0.00 N ATOM 1450 CA GLU A 94 20.199 -8.303 2.291 1.00 0.00 C ATOM 1451 C GLU A 94 19.797 -9.767 2.166 1.00 0.00 C ATOM 1452 O GLU A 94 20.630 -10.666 2.290 1.00 0.00 O ATOM 1453 CB GLU A 94 20.302 -7.905 3.765 1.00 0.00 C ATOM 1454 CG GLU A 94 18.976 -7.956 4.503 1.00 0.00 C ATOM 1455 CD GLU A 94 19.109 -7.574 5.965 1.00 0.00 C ATOM 1456 OE1 GLU A 94 19.092 -6.362 6.265 1.00 0.00 O ATOM 1457 OE2 GLU A 94 19.228 -8.487 6.809 1.00 0.00 O ATOM 0 H GLU A 94 18.549 -7.008 2.198 1.00 0.00 H new ATOM 0 HA GLU A 94 21.177 -8.167 1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 94 21.011 -8.567 4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 94 20.707 -6.895 3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.268 -7.284 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.562 -8.962 4.430 1.00 0.00 H new ATOM 1464 N THR A 95 18.511 -9.995 1.920 1.00 0.00 N ATOM 1465 CA THR A 95 17.987 -11.342 1.750 1.00 0.00 C ATOM 1466 C THR A 95 17.555 -11.532 0.307 1.00 0.00 C ATOM 1467 O THR A 95 16.769 -12.425 -0.015 1.00 0.00 O ATOM 1468 CB THR A 95 16.786 -11.610 2.678 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.730 -10.684 2.394 1.00 0.00 O ATOM 1470 CG2 THR A 95 17.192 -11.491 4.139 1.00 0.00 C ATOM 0 H THR A 95 17.811 -9.259 1.834 1.00 0.00 H new ATOM 0 HA THR A 95 18.778 -12.046 2.010 1.00 0.00 H new ATOM 0 HB THR A 95 16.436 -12.626 2.497 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.924 -10.946 2.886 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.327 -11.684 4.774 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.974 -12.218 4.360 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.566 -10.486 4.332 1.00 0.00 H new ATOM 1478 N GLY A 96 18.087 -10.671 -0.556 1.00 0.00 N ATOM 1479 CA GLY A 96 17.760 -10.712 -1.965 1.00 0.00 C ATOM 1480 C GLY A 96 17.942 -12.081 -2.582 1.00 0.00 C ATOM 1481 O GLY A 96 19.042 -12.635 -2.584 1.00 0.00 O ATOM 0 H GLY A 96 18.747 -9.938 -0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.726 -10.395 -2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.386 -9.995 -2.497 1.00 0.00 H new ATOM 1485 N THR A 97 16.851 -12.624 -3.104 1.00 0.00 N ATOM 1486 CA THR A 97 16.874 -13.930 -3.748 1.00 0.00 C ATOM 1487 C THR A 97 15.922 -13.969 -4.940 1.00 0.00 C ATOM 1488 O THR A 97 14.759 -13.581 -4.831 1.00 0.00 O ATOM 1489 CB THR A 97 16.499 -15.052 -2.761 1.00 0.00 C ATOM 1490 OG1 THR A 97 16.407 -16.305 -3.451 1.00 0.00 O ATOM 1491 CG2 THR A 97 15.178 -14.749 -2.069 1.00 0.00 C ATOM 0 H THR A 97 15.934 -12.177 -3.094 1.00 0.00 H new ATOM 0 HA THR A 97 17.894 -14.095 -4.096 1.00 0.00 H new ATOM 0 HB THR A 97 17.281 -15.112 -2.004 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.170 -17.012 -2.815 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.936 -15.556 -1.378 1.00 0.00 H new ATOM 0 HG22 THR A 97 15.262 -13.812 -1.518 1.00 0.00 H new ATOM 0 HG23 THR A 97 14.388 -14.661 -2.815 1.00 0.00 H new ATOM 1499 N GLY A 98 16.427 -14.438 -6.077 1.00 0.00 N ATOM 1500 CA GLY A 98 15.611 -14.522 -7.276 1.00 0.00 C ATOM 1501 C GLY A 98 15.069 -13.175 -7.717 1.00 0.00 C ATOM 1502 O GLY A 98 15.812 -12.199 -7.816 1.00 0.00 O ATOM 0 H GLY A 98 17.388 -14.762 -6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.204 -14.951 -8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.778 -15.202 -7.096 1.00 0.00 H new ATOM 1506 N PHE A 99 13.766 -13.128 -7.985 1.00 0.00 N ATOM 1507 CA PHE A 99 13.108 -11.900 -8.424 1.00 0.00 C ATOM 1508 C PHE A 99 12.870 -10.949 -7.252 1.00 0.00 C ATOM 1509 O PHE A 99 12.818 -9.733 -7.430 1.00 0.00 O ATOM 1510 CB PHE A 99 11.780 -12.242 -9.111 1.00 0.00 C ATOM 1511 CG PHE A 99 10.844 -11.075 -9.259 1.00 0.00 C ATOM 1512 CD1 PHE A 99 11.017 -10.153 -10.278 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.787 -10.903 -8.378 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.155 -9.081 -10.417 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.923 -9.834 -8.511 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.107 -8.922 -9.531 1.00 0.00 C ATOM 0 H PHE A 99 13.142 -13.931 -7.905 1.00 0.00 H new ATOM 0 HA PHE A 99 13.762 -11.394 -9.134 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.990 -12.652 -10.099 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.280 -13.025 -8.540 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.835 -10.273 -10.973 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.638 -11.613 -7.578 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.301 -8.370 -11.216 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.104 -9.711 -7.818 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.432 -8.085 -9.636 1.00 0.00 H new ATOM 1526 N ALA A 100 12.729 -11.515 -6.058 1.00 0.00 N ATOM 1527 CA ALA A 100 12.488 -10.724 -4.855 1.00 0.00 C ATOM 1528 C ALA A 100 13.544 -9.637 -4.674 1.00 0.00 C ATOM 1529 O ALA A 100 13.257 -8.571 -4.139 1.00 0.00 O ATOM 1530 CB ALA A 100 12.451 -11.630 -3.634 1.00 0.00 C ATOM 0 H ALA A 100 12.778 -12.521 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 100 11.523 -10.231 -4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.271 -11.031 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.651 -12.361 -3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.405 -12.148 -3.536 1.00 0.00 H new ATOM 1536 N ARG A 101 14.760 -9.911 -5.126 1.00 0.00 N ATOM 1537 CA ARG A 101 15.854 -8.951 -5.001 1.00 0.00 C ATOM 1538 C ARG A 101 15.716 -7.818 -6.009 1.00 0.00 C ATOM 1539 O ARG A 101 15.766 -6.643 -5.642 1.00 0.00 O ATOM 1540 CB ARG A 101 17.189 -9.652 -5.207 1.00 0.00 C ATOM 1541 CG ARG A 101 18.387 -8.729 -5.065 1.00 0.00 C ATOM 1542 CD ARG A 101 19.654 -9.508 -4.761 1.00 0.00 C ATOM 1543 NE ARG A 101 20.817 -8.634 -4.628 1.00 0.00 N ATOM 1544 CZ ARG A 101 22.072 -9.051 -4.767 1.00 0.00 C ATOM 1545 NH1 ARG A 101 22.327 -10.322 -5.046 1.00 0.00 N ATOM 1546 NH2 ARG A 101 23.075 -8.194 -4.626 1.00 0.00 N ATOM 0 H ARG A 101 15.016 -10.787 -5.582 1.00 0.00 H new ATOM 0 HA ARG A 101 15.811 -8.526 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.279 -10.464 -4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.204 -10.103 -6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.520 -8.159 -5.985 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.201 -8.009 -4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.519 -10.074 -3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.834 -10.232 -5.556 1.00 0.00 H new ATOM 0 HE ARG A 101 20.657 -7.649 -4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.559 -10.984 -5.155 1.00 0.00 H new ATOM 0 HH12 ARG A 101 23.291 -10.637 -5.152 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.883 -7.216 -4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 101 24.038 -8.514 -4.733 1.00 0.00 H new ATOM 1560 N LYS A 102 15.559 -8.181 -7.280 1.00 0.00 N ATOM 1561 CA LYS A 102 15.407 -7.199 -8.350 1.00 0.00 C ATOM 1562 C LYS A 102 14.366 -6.153 -7.969 1.00 0.00 C ATOM 1563 O LYS A 102 14.356 -5.041 -8.495 1.00 0.00 O ATOM 1564 CB LYS A 102 15.000 -7.902 -9.647 1.00 0.00 C ATOM 1565 CG LYS A 102 14.793 -6.960 -10.821 1.00 0.00 C ATOM 1566 CD LYS A 102 14.450 -7.724 -12.090 1.00 0.00 C ATOM 1567 CE LYS A 102 14.133 -6.781 -13.240 1.00 0.00 C ATOM 1568 NZ LYS A 102 13.780 -7.522 -14.482 1.00 0.00 N ATOM 0 H LYS A 102 15.534 -9.151 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 102 16.362 -6.696 -8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.767 -8.630 -9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.079 -8.458 -9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 102 13.992 -6.258 -10.589 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.696 -6.372 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.286 -8.367 -12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.595 -8.374 -11.905 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.306 -6.129 -12.958 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.993 -6.140 -13.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.571 -6.845 -15.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.579 -8.125 -14.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.944 -8.115 -14.307 1.00 0.00 H new ATOM 1582 N VAL A 103 13.497 -6.527 -7.041 1.00 0.00 N ATOM 1583 CA VAL A 103 12.445 -5.648 -6.561 1.00 0.00 C ATOM 1584 C VAL A 103 13.014 -4.485 -5.744 1.00 0.00 C ATOM 1585 O VAL A 103 12.834 -3.322 -6.099 1.00 0.00 O ATOM 1586 CB VAL A 103 11.448 -6.443 -5.698 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.502 -5.511 -4.953 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.667 -7.421 -6.561 1.00 0.00 C ATOM 0 H VAL A 103 13.503 -7.447 -6.601 1.00 0.00 H new ATOM 0 HA VAL A 103 11.934 -5.236 -7.431 1.00 0.00 H new ATOM 0 HB VAL A 103 12.014 -7.006 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.809 -6.100 -4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.077 -4.852 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.941 -4.912 -5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.966 -7.976 -5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.117 -6.873 -7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.357 -8.116 -7.039 1.00 0.00 H new ATOM 1598 N ALA A 104 13.702 -4.812 -4.653 1.00 0.00 N ATOM 1599 CA ALA A 104 14.292 -3.802 -3.778 1.00 0.00 C ATOM 1600 C ALA A 104 15.271 -2.896 -4.520 1.00 0.00 C ATOM 1601 O ALA A 104 15.231 -1.673 -4.390 1.00 0.00 O ATOM 1602 CB ALA A 104 15.004 -4.482 -2.616 1.00 0.00 C ATOM 0 H ALA A 104 13.865 -5.773 -4.353 1.00 0.00 H new ATOM 0 HA ALA A 104 13.481 -3.176 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.443 -3.726 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.288 -5.077 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.791 -5.130 -3.001 1.00 0.00 H new ATOM 1608 N VAL A 105 16.144 -3.518 -5.292 1.00 0.00 N ATOM 1609 CA VAL A 105 17.178 -2.810 -6.041 1.00 0.00 C ATOM 1610 C VAL A 105 16.617 -1.884 -7.122 1.00 0.00 C ATOM 1611 O VAL A 105 16.807 -0.671 -7.068 1.00 0.00 O ATOM 1612 CB VAL A 105 18.157 -3.804 -6.698 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.259 -3.065 -7.444 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.747 -4.741 -5.654 1.00 0.00 C ATOM 0 H VAL A 105 16.160 -4.530 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 105 17.698 -2.191 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 105 17.603 -4.402 -7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 105 19.937 -3.787 -7.899 1.00 0.00 H new ATOM 0 HG12 VAL A 105 18.817 -2.442 -8.222 1.00 0.00 H new ATOM 0 HG13 VAL A 105 19.813 -2.437 -6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.435 -5.435 -6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.284 -4.159 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 105 17.945 -5.301 -5.173 1.00 0.00 H new ATOM 1624 N ASN A 106 15.937 -2.464 -8.106 1.00 0.00 N ATOM 1625 CA ASN A 106 15.383 -1.695 -9.220 1.00 0.00 C ATOM 1626 C ASN A 106 14.467 -0.563 -8.757 1.00 0.00 C ATOM 1627 O ASN A 106 14.462 0.517 -9.347 1.00 0.00 O ATOM 1628 CB ASN A 106 14.616 -2.623 -10.164 1.00 0.00 C ATOM 1629 CG ASN A 106 14.119 -1.909 -11.406 1.00 0.00 C ATOM 1630 OD1 ASN A 106 13.023 -1.348 -11.417 1.00 0.00 O ATOM 1631 ND2 ASN A 106 14.924 -1.929 -12.461 1.00 0.00 N ATOM 0 H ASN A 106 15.755 -3.466 -8.156 1.00 0.00 H new ATOM 0 HA ASN A 106 16.224 -1.239 -9.742 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.262 -3.450 -10.459 1.00 0.00 H new ATOM 0 HB3 ASN A 106 13.767 -3.055 -9.633 1.00 0.00 H new ATOM 0 HD21 ASN A 106 14.643 -1.467 -13.326 1.00 0.00 H new ATOM 0 HD22 ASN A 106 15.824 -2.406 -12.407 1.00 0.00 H new ATOM 1638 N TYR A 107 13.696 -0.810 -7.705 1.00 0.00 N ATOM 1639 CA TYR A 107 12.766 0.180 -7.193 1.00 0.00 C ATOM 1640 C TYR A 107 13.493 1.438 -6.724 1.00 0.00 C ATOM 1641 O TYR A 107 12.912 2.521 -6.667 1.00 0.00 O ATOM 1642 CB TYR A 107 11.953 -0.431 -6.057 1.00 0.00 C ATOM 1643 CG TYR A 107 11.285 0.589 -5.176 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.249 1.384 -5.640 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.709 0.758 -3.877 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.653 2.322 -4.820 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.126 1.689 -3.048 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.096 2.470 -3.522 1.00 0.00 C ATOM 1649 OH TYR A 107 9.510 3.401 -2.697 1.00 0.00 O ATOM 0 H TYR A 107 13.699 -1.691 -7.191 1.00 0.00 H new ATOM 0 HA TYR A 107 12.094 0.478 -7.998 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.192 -1.088 -6.479 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.608 -1.052 -5.446 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.903 1.268 -6.657 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.516 0.147 -3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.846 2.935 -5.192 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.474 1.806 -2.032 1.00 0.00 H new ATOM 0 HH TYR A 107 10.177 3.745 -2.066 1.00 0.00 H new ATOM 1659 N LEU A 108 14.767 1.283 -6.387 1.00 0.00 N ATOM 1660 CA LEU A 108 15.579 2.397 -5.911 1.00 0.00 C ATOM 1661 C LEU A 108 15.634 3.531 -6.932 1.00 0.00 C ATOM 1662 O LEU A 108 15.848 4.689 -6.574 1.00 0.00 O ATOM 1663 CB LEU A 108 16.993 1.912 -5.597 1.00 0.00 C ATOM 1664 CG LEU A 108 17.122 1.064 -4.330 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.512 0.454 -4.237 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.823 1.902 -3.096 1.00 0.00 C ATOM 0 H LEU A 108 15.263 0.393 -6.435 1.00 0.00 H new ATOM 0 HA LEU A 108 15.114 2.786 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.357 1.330 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.646 2.780 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 108 16.394 0.254 -4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.586 -0.146 -3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.690 -0.179 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.257 1.249 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.919 1.283 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.528 2.732 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.807 2.292 -3.159 1.00 0.00 H new ATOM 1678 N GLU A 109 15.442 3.194 -8.203 1.00 0.00 N ATOM 1679 CA GLU A 109 15.480 4.189 -9.270 1.00 0.00 C ATOM 1680 C GLU A 109 14.124 4.870 -9.450 1.00 0.00 C ATOM 1681 O GLU A 109 13.968 5.736 -10.310 1.00 0.00 O ATOM 1682 CB GLU A 109 15.913 3.540 -10.587 1.00 0.00 C ATOM 1683 CG GLU A 109 17.381 3.144 -10.623 1.00 0.00 C ATOM 1684 CD GLU A 109 17.725 2.072 -9.607 1.00 0.00 C ATOM 1685 OE1 GLU A 109 17.406 0.891 -9.859 1.00 0.00 O ATOM 1686 OE2 GLU A 109 18.314 2.413 -8.561 1.00 0.00 O ATOM 0 H GLU A 109 15.259 2.242 -8.519 1.00 0.00 H new ATOM 0 HA GLU A 109 16.207 4.950 -8.985 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.303 2.654 -10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.713 4.232 -11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.632 2.786 -11.621 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.995 4.025 -10.437 1.00 0.00 H new ATOM 1693 N THR A 110 13.148 4.479 -8.634 1.00 0.00 N ATOM 1694 CA THR A 110 11.807 5.053 -8.719 1.00 0.00 C ATOM 1695 C THR A 110 11.147 5.162 -7.345 1.00 0.00 C ATOM 1696 O THR A 110 9.921 5.103 -7.234 1.00 0.00 O ATOM 1697 CB THR A 110 10.896 4.215 -9.636 1.00 0.00 C ATOM 1698 OG1 THR A 110 10.867 2.855 -9.186 1.00 0.00 O ATOM 1699 CG2 THR A 110 11.378 4.265 -11.078 1.00 0.00 C ATOM 0 H THR A 110 13.259 3.770 -7.909 1.00 0.00 H new ATOM 0 HA THR A 110 11.929 6.052 -9.137 1.00 0.00 H new ATOM 0 HB THR A 110 9.892 4.636 -9.592 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.285 2.329 -9.773 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.717 3.665 -11.704 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.371 5.297 -11.428 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.392 3.869 -11.137 1.00 0.00 H new ATOM 1707 N HIS A 111 11.955 5.328 -6.301 1.00 0.00 N ATOM 1708 CA HIS A 111 11.425 5.445 -4.944 1.00 0.00 C ATOM 1709 C HIS A 111 11.071 6.896 -4.616 1.00 0.00 C ATOM 1710 O HIS A 111 10.445 7.557 -5.470 1.00 0.00 O ATOM 1711 CB HIS A 111 12.433 4.897 -3.927 1.00 0.00 C ATOM 1712 CG HIS A 111 13.739 5.640 -3.888 1.00 0.00 C ATOM 1713 ND1 HIS A 111 14.673 5.460 -2.891 1.00 0.00 N ATOM 1714 CD2 HIS A 111 14.264 6.567 -4.727 1.00 0.00 C ATOM 1715 CE1 HIS A 111 15.714 6.242 -3.116 1.00 0.00 C ATOM 1716 NE2 HIS A 111 15.490 6.923 -4.224 1.00 0.00 N ATOM 1717 OXT HIS A 111 11.410 7.355 -3.504 1.00 0.00 O ATOM 0 H HIS A 111 12.971 5.384 -6.366 1.00 0.00 H new ATOM 0 HA HIS A 111 10.512 4.853 -4.885 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.982 4.926 -2.935 1.00 0.00 H new ATOM 0 HB3 HIS A 111 12.631 3.850 -4.157 1.00 0.00 H new ATOM 0 HD2 HIS A 111 13.803 6.953 -5.624 1.00 0.00 H new ATOM 0 HE1 HIS A 111 16.597 6.312 -2.499 1.00 0.00 H new ATOM 0 HE2 HIS A 111 16.126 7.604 -4.639 1.00 0.00 H new