USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 THR OG1 : rot 150:sc= 0.128 USER MOD Set 1.2: A 61 THR OG1 : rot 180:sc= 0.151 USER MOD Set 2.1: A 47 GLN : amide:sc= -9.53! C(o=-17!,f=-20!) USER MOD Set 2.2: A 57 HIS : +bothHN:sc= -7.84! C(o=-17!,f=-26!) USER MOD Set 3.1: A 40 THR OG1 : rot 120:sc=0.000443 USER MOD Set 3.2: A 42 THR OG1 : rot -100:sc= 0.378 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.203 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.308 F(o=-1.2,f=-0.31) USER MOD Single : A 31 GLN : amide:sc= -1.41 K(o=-1.4,f=-5.2!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= -1.91! USER MOD Single : A 36 SER OG : rot 88:sc= 0.898 USER MOD Single : A 38 SER OG : rot 65:sc= -0.719 USER MOD Single : A 39 THR OG1 : rot 132:sc= 0.486 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -1.25 USER MOD Single : A 50 SER OG : rot -49:sc= 1.08 USER MOD Single : A 51 SER OG : rot -160:sc= -0.615 USER MOD Single : A 52 MET CE :methyl 132:sc= -20.1! (180deg=-22.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.96! USER MOD Single : A 55 HIS : no HD1:sc= -3.93! C(o=-3.9!,f=-7.7!) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.085 F(o=-0.93,f=-0.085) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.0701! USER MOD Single : A 66 ASN : amide:sc= -0.203 K(o=-0.2,f=-4.4!) USER MOD Single : A 70 THR OG1 : rot 4:sc= -0.438 USER MOD Single : A 72 ASN :FLIP amide:sc= -2.75 F(o=-4.8!,f=-2.8) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -7.38! C(o=-7.4!,f=-9.5!) USER MOD Single : A 82 SER OG : rot 149:sc= -0.384 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 94:sc= -2.29! USER MOD Single : A 88 MET CE :methyl 171:sc= 0 (180deg=-0.159) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc=-0.00706 USER MOD Single : A 98 ASN : amide:sc= -2.29! C(o=-2.3!,f=-5.2!) USER MOD Single : A 100 THR OG1 : rot -92:sc= 0.994 USER MOD Single : A 101 GLN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 358 N ASP A 24 3.619 5.000 2.265 1.00 0.00 N ATOM 359 CA ASP A 24 2.746 4.373 3.296 1.00 0.00 C ATOM 360 C ASP A 24 1.529 5.254 3.599 1.00 0.00 C ATOM 361 O ASP A 24 1.585 6.145 4.423 1.00 0.00 O ATOM 362 CB ASP A 24 3.641 4.276 4.521 1.00 0.00 C ATOM 363 CG ASP A 24 4.079 5.679 4.946 1.00 0.00 C ATOM 364 OD1 ASP A 24 3.878 6.601 4.172 1.00 0.00 O ATOM 365 OD2 ASP A 24 4.607 5.807 6.038 1.00 0.00 O ATOM 0 HA ASP A 24 2.352 3.409 2.974 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.108 3.788 5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.514 3.663 4.299 1.00 0.00 H new ATOM 370 N CYS A 25 0.430 5.012 2.939 1.00 0.00 N ATOM 371 CA CYS A 25 -0.786 5.841 3.194 1.00 0.00 C ATOM 372 C CYS A 25 -2.044 5.131 2.695 1.00 0.00 C ATOM 373 O CYS A 25 -2.004 4.330 1.782 1.00 0.00 O ATOM 374 CB CYS A 25 -0.566 7.122 2.400 1.00 0.00 C ATOM 375 SG CYS A 25 -1.114 8.545 3.367 1.00 0.00 S ATOM 0 H CYS A 25 0.320 4.280 2.237 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.928 6.028 4.259 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.489 7.227 2.148 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.116 7.077 1.460 1.00 0.00 H new ATOM 380 N TYR A 26 -3.165 5.443 3.278 1.00 0.00 N ATOM 381 CA TYR A 26 -4.444 4.817 2.837 1.00 0.00 C ATOM 382 C TYR A 26 -5.621 5.679 3.293 1.00 0.00 C ATOM 383 O TYR A 26 -5.510 6.452 4.223 1.00 0.00 O ATOM 384 CB TYR A 26 -4.484 3.436 3.499 1.00 0.00 C ATOM 385 CG TYR A 26 -4.874 3.562 4.954 1.00 0.00 C ATOM 386 CD1 TYR A 26 -6.205 3.815 5.309 1.00 0.00 C ATOM 387 CD2 TYR A 26 -3.902 3.418 5.947 1.00 0.00 C ATOM 388 CE1 TYR A 26 -6.561 3.922 6.660 1.00 0.00 C ATOM 389 CE2 TYR A 26 -4.256 3.527 7.297 1.00 0.00 C ATOM 390 CZ TYR A 26 -5.586 3.778 7.654 1.00 0.00 C ATOM 391 OH TYR A 26 -5.936 3.883 8.985 1.00 0.00 O ATOM 0 H TYR A 26 -3.253 6.109 4.046 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.509 4.730 1.752 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.197 2.796 2.979 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.508 2.958 3.417 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.957 3.928 4.542 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.876 3.222 5.673 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.587 4.116 6.934 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.503 3.417 8.063 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.141 3.756 9.543 1.00 0.00 H new ATOM 401 N HIS A 27 -6.745 5.556 2.650 1.00 0.00 N ATOM 402 CA HIS A 27 -7.917 6.377 3.060 1.00 0.00 C ATOM 403 C HIS A 27 -9.010 5.481 3.650 1.00 0.00 C ATOM 404 O HIS A 27 -9.574 4.645 2.972 1.00 0.00 O ATOM 405 CB HIS A 27 -8.402 7.044 1.773 1.00 0.00 C ATOM 406 CG HIS A 27 -9.654 7.829 2.055 1.00 0.00 C ATOM 407 ND1 HIS A 27 -10.934 7.437 2.360 1.00 0.00 N flip ATOM 408 CD2 HIS A 27 -9.676 9.215 2.043 1.00 0.00 C flip ATOM 409 CE1 HIS A 27 -11.739 8.559 2.535 1.00 0.00 C flip ATOM 410 NE2 HIS A 27 -10.932 9.603 2.333 1.00 0.00 N flip ATOM 0 H HIS A 27 -6.904 4.927 1.863 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.662 7.109 3.826 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.628 7.703 1.378 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.597 6.289 1.011 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.838 9.865 1.838 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.790 8.580 2.781 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.231 10.577 2.391 1.00 0.00 H new ATOM 418 N GLY A 28 -9.315 5.650 4.907 1.00 0.00 N ATOM 419 CA GLY A 28 -10.372 4.810 5.537 1.00 0.00 C ATOM 420 C GLY A 28 -9.902 3.356 5.612 1.00 0.00 C ATOM 421 O GLY A 28 -9.592 2.849 6.672 1.00 0.00 O ATOM 0 H GLY A 28 -8.878 6.334 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.597 5.181 6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.294 4.875 4.959 1.00 0.00 H new ATOM 425 N ASP A 29 -9.853 2.677 4.497 1.00 0.00 N ATOM 426 CA ASP A 29 -9.410 1.252 4.510 1.00 0.00 C ATOM 427 C ASP A 29 -8.408 0.989 3.397 1.00 0.00 C ATOM 428 O ASP A 29 -8.164 -0.141 3.024 1.00 0.00 O ATOM 429 CB ASP A 29 -10.686 0.438 4.285 1.00 0.00 C ATOM 430 CG ASP A 29 -11.808 0.989 5.167 1.00 0.00 C ATOM 431 OD1 ASP A 29 -12.224 2.111 4.931 1.00 0.00 O ATOM 432 OD2 ASP A 29 -12.234 0.278 6.063 1.00 0.00 O ATOM 0 H ASP A 29 -10.100 3.047 3.579 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.914 0.989 5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.978 0.484 3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.507 -0.611 4.520 1.00 0.00 H new ATOM 437 N GLY A 30 -7.840 2.019 2.841 1.00 0.00 N ATOM 438 CA GLY A 30 -6.878 1.813 1.730 1.00 0.00 C ATOM 439 C GLY A 30 -7.552 0.970 0.646 1.00 0.00 C ATOM 440 O GLY A 30 -6.913 0.504 -0.276 1.00 0.00 O ATOM 0 H GLY A 30 -8.000 2.991 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.563 2.773 1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.981 1.312 2.095 1.00 0.00 H new ATOM 444 N GLN A 31 -8.843 0.768 0.750 1.00 0.00 N ATOM 445 CA GLN A 31 -9.547 -0.047 -0.280 1.00 0.00 C ATOM 446 C GLN A 31 -9.447 0.636 -1.645 1.00 0.00 C ATOM 447 O GLN A 31 -9.444 -0.009 -2.675 1.00 0.00 O ATOM 448 CB GLN A 31 -11.001 -0.107 0.186 1.00 0.00 C ATOM 449 CG GLN A 31 -11.717 -1.253 -0.530 1.00 0.00 C ATOM 450 CD GLN A 31 -12.777 -1.849 0.396 1.00 0.00 C ATOM 451 OE1 GLN A 31 -12.680 -2.993 0.793 1.00 0.00 O ATOM 452 NE2 GLN A 31 -13.794 -1.115 0.760 1.00 0.00 N ATOM 0 H GLN A 31 -9.433 1.130 1.499 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.115 -1.042 -0.388 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.043 -0.255 1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.502 0.838 -0.026 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.182 -0.889 -1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.999 -2.020 -0.820 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.875 -0.154 0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.507 -1.502 1.378 1.00 0.00 H new ATOM 461 N SER A 32 -9.362 1.937 -1.660 1.00 0.00 N ATOM 462 CA SER A 32 -9.257 2.662 -2.956 1.00 0.00 C ATOM 463 C SER A 32 -7.789 2.785 -3.366 1.00 0.00 C ATOM 464 O SER A 32 -7.453 3.471 -4.311 1.00 0.00 O ATOM 465 CB SER A 32 -9.856 4.040 -2.689 1.00 0.00 C ATOM 466 OG SER A 32 -10.597 4.460 -3.827 1.00 0.00 O ATOM 0 H SER A 32 -9.361 2.530 -0.830 1.00 0.00 H new ATOM 0 HA SER A 32 -9.774 2.146 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.503 4.004 -1.813 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.064 4.757 -2.471 1.00 0.00 H new ATOM 0 HG SER A 32 -10.984 5.344 -3.657 1.00 0.00 H new ATOM 472 N TYR A 33 -6.909 2.125 -2.661 1.00 0.00 N ATOM 473 CA TYR A 33 -5.464 2.209 -3.018 1.00 0.00 C ATOM 474 C TYR A 33 -5.246 1.678 -4.435 1.00 0.00 C ATOM 475 O TYR A 33 -4.986 0.508 -4.637 1.00 0.00 O ATOM 476 CB TYR A 33 -4.740 1.329 -1.996 1.00 0.00 C ATOM 477 CG TYR A 33 -3.275 1.699 -1.979 1.00 0.00 C ATOM 478 CD1 TYR A 33 -2.411 1.206 -2.966 1.00 0.00 C ATOM 479 CD2 TYR A 33 -2.785 2.549 -0.981 1.00 0.00 C ATOM 480 CE1 TYR A 33 -1.058 1.568 -2.953 1.00 0.00 C ATOM 481 CE2 TYR A 33 -1.434 2.906 -0.966 1.00 0.00 C ATOM 482 CZ TYR A 33 -0.570 2.418 -1.953 1.00 0.00 C ATOM 483 OH TYR A 33 0.761 2.780 -1.941 1.00 0.00 O ATOM 0 H TYR A 33 -7.127 1.535 -1.858 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.094 3.234 -2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.175 1.466 -1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.860 0.277 -2.253 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.788 0.548 -3.735 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.452 2.930 -0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.391 1.191 -3.714 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.057 3.559 -0.193 1.00 0.00 H new ATOM 0 HH TYR A 33 0.932 3.374 -1.181 1.00 0.00 H new ATOM 493 N ARG A 34 -5.354 2.528 -5.418 1.00 0.00 N ATOM 494 CA ARG A 34 -5.156 2.071 -6.823 1.00 0.00 C ATOM 495 C ARG A 34 -3.671 2.120 -7.191 1.00 0.00 C ATOM 496 O ARG A 34 -3.260 2.872 -8.053 1.00 0.00 O ATOM 497 CB ARG A 34 -5.952 3.058 -7.678 1.00 0.00 C ATOM 498 CG ARG A 34 -7.129 2.334 -8.334 1.00 0.00 C ATOM 499 CD ARG A 34 -8.192 2.027 -7.277 1.00 0.00 C ATOM 500 NE ARG A 34 -9.406 1.651 -8.053 1.00 0.00 N ATOM 501 CZ ARG A 34 -10.410 2.480 -8.136 1.00 0.00 C ATOM 502 NH1 ARG A 34 -10.198 3.736 -8.423 1.00 0.00 N ATOM 503 NH2 ARG A 34 -11.627 2.054 -7.932 1.00 0.00 N ATOM 0 H ARG A 34 -5.571 3.519 -5.310 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.487 1.043 -6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.316 3.879 -7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.309 3.494 -8.442 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.555 2.952 -9.125 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.787 1.410 -8.801 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.875 1.216 -6.622 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.381 2.893 -6.643 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.453 0.745 -8.520 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.247 4.069 -8.582 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.983 4.384 -8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.793 1.073 -7.708 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.412 2.702 -7.997 1.00 0.00 H new ATOM 517 N GLY A 35 -2.862 1.327 -6.544 1.00 0.00 N ATOM 518 CA GLY A 35 -1.406 1.334 -6.860 1.00 0.00 C ATOM 519 C GLY A 35 -0.813 -0.051 -6.597 1.00 0.00 C ATOM 520 O GLY A 35 -1.524 -1.017 -6.405 1.00 0.00 O ATOM 0 H GLY A 35 -3.145 0.676 -5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.252 1.614 -7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.896 2.080 -6.251 1.00 0.00 H new ATOM 524 N SER A 36 0.487 -0.153 -6.589 1.00 0.00 N ATOM 525 CA SER A 36 1.133 -1.474 -6.342 1.00 0.00 C ATOM 526 C SER A 36 2.053 -1.388 -5.122 1.00 0.00 C ATOM 527 O SER A 36 3.255 -1.532 -5.226 1.00 0.00 O ATOM 528 CB SER A 36 1.943 -1.758 -7.606 1.00 0.00 C ATOM 529 OG SER A 36 2.925 -2.745 -7.323 1.00 0.00 O ATOM 0 H SER A 36 1.132 0.622 -6.743 1.00 0.00 H new ATOM 0 HA SER A 36 0.407 -2.261 -6.138 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.285 -2.102 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.421 -0.844 -7.959 1.00 0.00 H new ATOM 0 HG SER A 36 2.540 -3.637 -7.455 1.00 0.00 H new ATOM 535 N PHE A 37 1.499 -1.148 -3.966 1.00 0.00 N ATOM 536 CA PHE A 37 2.342 -1.046 -2.741 1.00 0.00 C ATOM 537 C PHE A 37 2.490 -2.413 -2.071 1.00 0.00 C ATOM 538 O PHE A 37 1.982 -2.640 -0.991 1.00 0.00 O ATOM 539 CB PHE A 37 1.593 -0.083 -1.823 1.00 0.00 C ATOM 540 CG PHE A 37 2.414 0.169 -0.581 1.00 0.00 C ATOM 541 CD1 PHE A 37 3.523 1.020 -0.638 1.00 0.00 C ATOM 542 CD2 PHE A 37 2.067 -0.448 0.627 1.00 0.00 C ATOM 543 CE1 PHE A 37 4.286 1.256 0.511 1.00 0.00 C ATOM 544 CE2 PHE A 37 2.830 -0.212 1.778 1.00 0.00 C ATOM 545 CZ PHE A 37 3.939 0.639 1.720 1.00 0.00 C ATOM 0 H PHE A 37 0.498 -1.018 -3.816 1.00 0.00 H new ATOM 0 HA PHE A 37 3.349 -0.698 -2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.401 0.856 -2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.624 -0.501 -1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.791 1.495 -1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.211 -1.106 0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.142 1.913 0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.562 -0.687 2.710 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.528 0.820 2.607 1.00 0.00 H new ATOM 555 N SER A 38 3.178 -3.326 -2.698 1.00 0.00 N ATOM 556 CA SER A 38 3.356 -4.681 -2.094 1.00 0.00 C ATOM 557 C SER A 38 4.309 -4.660 -0.888 1.00 0.00 C ATOM 558 O SER A 38 5.082 -5.577 -0.695 1.00 0.00 O ATOM 559 CB SER A 38 3.968 -5.515 -3.207 1.00 0.00 C ATOM 560 OG SER A 38 5.378 -5.573 -3.034 1.00 0.00 O ATOM 0 H SER A 38 3.627 -3.194 -3.605 1.00 0.00 H new ATOM 0 HA SER A 38 2.408 -5.071 -1.724 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.548 -6.521 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.727 -5.080 -4.177 1.00 0.00 H new ATOM 0 HG SER A 38 5.586 -6.048 -2.202 1.00 0.00 H new ATOM 566 N THR A 39 4.260 -3.651 -0.063 1.00 0.00 N ATOM 567 CA THR A 39 5.163 -3.632 1.120 1.00 0.00 C ATOM 568 C THR A 39 4.366 -4.046 2.354 1.00 0.00 C ATOM 569 O THR A 39 3.360 -3.450 2.672 1.00 0.00 O ATOM 570 CB THR A 39 5.638 -2.183 1.241 1.00 0.00 C ATOM 571 OG1 THR A 39 5.837 -1.643 -0.058 1.00 0.00 O ATOM 572 CG2 THR A 39 6.952 -2.137 2.023 1.00 0.00 C ATOM 0 H THR A 39 3.640 -2.846 -0.155 1.00 0.00 H new ATOM 0 HA THR A 39 6.007 -4.316 1.024 1.00 0.00 H new ATOM 0 HB THR A 39 4.886 -1.596 1.768 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.408 -0.764 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.289 -1.104 2.108 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.797 -2.551 3.019 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.708 -2.723 1.500 1.00 0.00 H new ATOM 580 N THR A 40 4.793 -5.069 3.040 1.00 0.00 N ATOM 581 CA THR A 40 4.035 -5.524 4.240 1.00 0.00 C ATOM 582 C THR A 40 4.411 -4.692 5.468 1.00 0.00 C ATOM 583 O THR A 40 5.335 -3.904 5.441 1.00 0.00 O ATOM 584 CB THR A 40 4.443 -6.984 4.438 1.00 0.00 C ATOM 585 OG1 THR A 40 5.841 -7.053 4.680 1.00 0.00 O ATOM 586 CG2 THR A 40 4.099 -7.791 3.184 1.00 0.00 C ATOM 0 H THR A 40 5.631 -5.609 2.823 1.00 0.00 H new ATOM 0 HA THR A 40 2.959 -5.412 4.106 1.00 0.00 H new ATOM 0 HB THR A 40 3.904 -7.399 5.290 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.001 -7.457 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.391 -8.831 3.329 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.026 -7.738 3.000 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.634 -7.380 2.328 1.00 0.00 H new ATOM 594 N VAL A 41 3.697 -4.867 6.547 1.00 0.00 N ATOM 595 CA VAL A 41 4.004 -4.094 7.783 1.00 0.00 C ATOM 596 C VAL A 41 5.466 -4.305 8.189 1.00 0.00 C ATOM 597 O VAL A 41 6.157 -3.378 8.564 1.00 0.00 O ATOM 598 CB VAL A 41 3.062 -4.666 8.843 1.00 0.00 C ATOM 599 CG1 VAL A 41 3.521 -4.221 10.232 1.00 0.00 C ATOM 600 CG2 VAL A 41 1.643 -4.155 8.590 1.00 0.00 C ATOM 0 H VAL A 41 2.912 -5.514 6.625 1.00 0.00 H new ATOM 0 HA VAL A 41 3.866 -3.021 7.649 1.00 0.00 H new ATOM 0 HB VAL A 41 3.075 -5.755 8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.848 -4.630 10.986 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.533 -4.583 10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.510 -3.132 10.288 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.970 -4.562 9.345 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.633 -3.066 8.644 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.313 -4.472 7.601 1.00 0.00 H new ATOM 610 N THR A 42 5.942 -5.519 8.116 1.00 0.00 N ATOM 611 CA THR A 42 7.360 -5.791 8.494 1.00 0.00 C ATOM 612 C THR A 42 8.308 -5.108 7.504 1.00 0.00 C ATOM 613 O THR A 42 9.493 -4.994 7.742 1.00 0.00 O ATOM 614 CB THR A 42 7.514 -7.314 8.417 1.00 0.00 C ATOM 615 OG1 THR A 42 6.291 -7.899 7.990 1.00 0.00 O ATOM 616 CG2 THR A 42 7.890 -7.866 9.793 1.00 0.00 C ATOM 0 H THR A 42 5.411 -6.334 7.811 1.00 0.00 H new ATOM 0 HA THR A 42 7.601 -5.409 9.486 1.00 0.00 H new ATOM 0 HB THR A 42 8.301 -7.557 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.809 -8.254 8.766 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.998 -8.949 9.733 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.832 -7.424 10.117 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.108 -7.619 10.510 1.00 0.00 H new ATOM 624 N GLY A 43 7.794 -4.656 6.392 1.00 0.00 N ATOM 625 CA GLY A 43 8.664 -3.985 5.386 1.00 0.00 C ATOM 626 C GLY A 43 9.028 -4.979 4.281 1.00 0.00 C ATOM 627 O GLY A 43 9.794 -4.674 3.388 1.00 0.00 O ATOM 0 H GLY A 43 6.809 -4.723 6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.148 -3.124 4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.569 -3.610 5.865 1.00 0.00 H new ATOM 631 N ARG A 44 8.487 -6.166 4.332 1.00 0.00 N ATOM 632 CA ARG A 44 8.806 -7.174 3.282 1.00 0.00 C ATOM 633 C ARG A 44 8.000 -6.889 2.012 1.00 0.00 C ATOM 634 O ARG A 44 7.373 -5.857 1.882 1.00 0.00 O ATOM 635 CB ARG A 44 8.401 -8.519 3.885 1.00 0.00 C ATOM 636 CG ARG A 44 9.647 -9.382 4.086 1.00 0.00 C ATOM 637 CD ARG A 44 9.925 -9.536 5.583 1.00 0.00 C ATOM 638 NE ARG A 44 9.582 -10.952 5.890 1.00 0.00 N ATOM 639 CZ ARG A 44 10.466 -11.729 6.451 1.00 0.00 C ATOM 640 NH1 ARG A 44 10.669 -11.664 7.738 1.00 0.00 N ATOM 641 NH2 ARG A 44 11.148 -12.571 5.723 1.00 0.00 N ATOM 0 H ARG A 44 7.839 -6.481 5.054 1.00 0.00 H new ATOM 0 HA ARG A 44 9.859 -7.156 3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.894 -8.365 4.838 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.696 -9.027 3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.502 -10.361 3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.503 -8.924 3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.968 -9.322 5.816 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.320 -8.846 6.171 1.00 0.00 H new ATOM 0 HE ARG A 44 8.656 -11.314 5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.136 -11.005 8.306 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.361 -12.272 8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.989 -12.620 4.717 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.840 -13.179 6.160 1.00 0.00 H new ATOM 655 N THR A 45 8.014 -7.797 1.076 1.00 0.00 N ATOM 656 CA THR A 45 7.251 -7.577 -0.186 1.00 0.00 C ATOM 657 C THR A 45 6.042 -8.515 -0.248 1.00 0.00 C ATOM 658 O THR A 45 6.118 -9.667 0.130 1.00 0.00 O ATOM 659 CB THR A 45 8.241 -7.900 -1.306 1.00 0.00 C ATOM 660 OG1 THR A 45 9.201 -6.858 -1.402 1.00 0.00 O ATOM 661 CG2 THR A 45 7.490 -8.027 -2.631 1.00 0.00 C ATOM 0 H THR A 45 8.520 -8.681 1.130 1.00 0.00 H new ATOM 0 HA THR A 45 6.864 -6.561 -0.263 1.00 0.00 H new ATOM 0 HB THR A 45 8.746 -8.840 -1.085 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.837 -7.064 -2.118 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.196 -8.257 -3.429 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.753 -8.827 -2.556 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.984 -7.088 -2.854 1.00 0.00 H new ATOM 669 N CYS A 46 4.926 -8.029 -0.722 1.00 0.00 N ATOM 670 CA CYS A 46 3.715 -8.885 -0.809 1.00 0.00 C ATOM 671 C CYS A 46 3.895 -9.921 -1.926 1.00 0.00 C ATOM 672 O CYS A 46 4.534 -9.663 -2.924 1.00 0.00 O ATOM 673 CB CYS A 46 2.568 -7.892 -1.094 1.00 0.00 C ATOM 674 SG CYS A 46 1.386 -8.558 -2.304 1.00 0.00 S ATOM 0 H CYS A 46 4.804 -7.072 -1.053 1.00 0.00 H new ATOM 0 HA CYS A 46 3.515 -9.461 0.095 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.047 -7.662 -0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.982 -6.955 -1.467 1.00 0.00 H new ATOM 679 N GLN A 47 3.342 -11.092 -1.761 1.00 0.00 N ATOM 680 CA GLN A 47 3.482 -12.138 -2.815 1.00 0.00 C ATOM 681 C GLN A 47 2.311 -12.061 -3.801 1.00 0.00 C ATOM 682 O GLN A 47 1.210 -11.694 -3.441 1.00 0.00 O ATOM 683 CB GLN A 47 3.458 -13.469 -2.064 1.00 0.00 C ATOM 684 CG GLN A 47 3.266 -14.619 -3.056 1.00 0.00 C ATOM 685 CD GLN A 47 1.935 -15.319 -2.777 1.00 0.00 C ATOM 686 OE1 GLN A 47 0.929 -14.672 -2.561 1.00 0.00 O ATOM 687 NE2 GLN A 47 1.885 -16.623 -2.774 1.00 0.00 N ATOM 0 H GLN A 47 2.800 -11.370 -0.943 1.00 0.00 H new ATOM 0 HA GLN A 47 4.396 -12.013 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.389 -13.603 -1.513 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.651 -13.470 -1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.281 -14.238 -4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.088 -15.330 -2.968 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.729 -17.166 -2.955 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.002 -17.099 -2.590 1.00 0.00 H new ATOM 696 N SER A 48 2.531 -12.422 -5.037 1.00 0.00 N ATOM 697 CA SER A 48 1.423 -12.388 -6.030 1.00 0.00 C ATOM 698 C SER A 48 0.243 -13.203 -5.505 1.00 0.00 C ATOM 699 O SER A 48 0.419 -14.188 -4.816 1.00 0.00 O ATOM 700 CB SER A 48 1.998 -13.032 -7.290 1.00 0.00 C ATOM 701 OG SER A 48 1.994 -12.081 -8.346 1.00 0.00 O ATOM 0 H SER A 48 3.430 -12.738 -5.400 1.00 0.00 H new ATOM 0 HA SER A 48 1.063 -11.377 -6.222 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.014 -13.381 -7.103 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.407 -13.905 -7.569 1.00 0.00 H new ATOM 0 HG SER A 48 2.364 -12.490 -9.156 1.00 0.00 H new ATOM 707 N TRP A 49 -0.956 -12.816 -5.829 1.00 0.00 N ATOM 708 CA TRP A 49 -2.126 -13.593 -5.346 1.00 0.00 C ATOM 709 C TRP A 49 -2.133 -14.948 -6.050 1.00 0.00 C ATOM 710 O TRP A 49 -2.365 -15.978 -5.450 1.00 0.00 O ATOM 711 CB TRP A 49 -3.347 -12.766 -5.743 1.00 0.00 C ATOM 712 CG TRP A 49 -3.250 -11.396 -5.147 1.00 0.00 C ATOM 713 CD1 TRP A 49 -2.665 -10.329 -5.731 1.00 0.00 C ATOM 714 CD2 TRP A 49 -3.745 -10.928 -3.863 1.00 0.00 C ATOM 715 NE1 TRP A 49 -2.783 -9.241 -4.890 1.00 0.00 N ATOM 716 CE2 TRP A 49 -3.435 -9.561 -3.726 1.00 0.00 C ATOM 717 CE3 TRP A 49 -4.426 -11.554 -2.820 1.00 0.00 C ATOM 718 CZ2 TRP A 49 -3.790 -8.839 -2.590 1.00 0.00 C ATOM 719 CZ3 TRP A 49 -4.790 -10.839 -1.668 1.00 0.00 C ATOM 720 CH2 TRP A 49 -4.471 -9.480 -1.553 1.00 0.00 C ATOM 0 H TRP A 49 -1.176 -12.002 -6.403 1.00 0.00 H new ATOM 0 HA TRP A 49 -2.109 -13.775 -4.271 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.412 -12.696 -6.829 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -4.257 -13.258 -5.400 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -2.184 -10.327 -6.698 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.428 -8.310 -5.108 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.677 -12.602 -2.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.541 -7.791 -2.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.317 -11.338 -0.868 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.750 -8.930 -0.666 1.00 0.00 H new ATOM 731 N SER A 50 -1.862 -14.944 -7.326 1.00 0.00 N ATOM 732 CA SER A 50 -1.825 -16.215 -8.104 1.00 0.00 C ATOM 733 C SER A 50 -0.496 -16.957 -7.886 1.00 0.00 C ATOM 734 O SER A 50 -0.055 -17.702 -8.738 1.00 0.00 O ATOM 735 CB SER A 50 -1.950 -15.771 -9.558 1.00 0.00 C ATOM 736 OG SER A 50 -1.913 -16.913 -10.404 1.00 0.00 O ATOM 0 H SER A 50 -1.662 -14.104 -7.869 1.00 0.00 H new ATOM 0 HA SER A 50 -2.614 -16.904 -7.802 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.882 -15.226 -9.705 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.139 -15.089 -9.813 1.00 0.00 H new ATOM 0 HG SER A 50 -1.148 -17.475 -10.161 1.00 0.00 H new ATOM 742 N SER A 51 0.149 -16.766 -6.765 1.00 0.00 N ATOM 743 CA SER A 51 1.440 -17.468 -6.526 1.00 0.00 C ATOM 744 C SER A 51 1.182 -18.780 -5.791 1.00 0.00 C ATOM 745 O SER A 51 1.146 -18.829 -4.577 1.00 0.00 O ATOM 746 CB SER A 51 2.258 -16.514 -5.657 1.00 0.00 C ATOM 747 OG SER A 51 3.028 -15.660 -6.493 1.00 0.00 O ATOM 0 H SER A 51 -0.162 -16.156 -6.009 1.00 0.00 H new ATOM 0 HA SER A 51 1.961 -17.713 -7.452 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.596 -15.922 -5.024 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.913 -17.079 -4.993 1.00 0.00 H new ATOM 0 HG SER A 51 3.769 -15.279 -5.977 1.00 0.00 H new ATOM 753 N MET A 52 0.991 -19.844 -6.516 1.00 0.00 N ATOM 754 CA MET A 52 0.724 -21.150 -5.857 1.00 0.00 C ATOM 755 C MET A 52 2.044 -21.873 -5.586 1.00 0.00 C ATOM 756 O MET A 52 2.148 -23.076 -5.723 1.00 0.00 O ATOM 757 CB MET A 52 -0.136 -21.936 -6.852 1.00 0.00 C ATOM 758 CG MET A 52 -1.202 -21.034 -7.508 1.00 0.00 C ATOM 759 SD MET A 52 -1.803 -19.757 -6.363 1.00 0.00 S ATOM 760 CE MET A 52 -2.102 -20.830 -4.944 1.00 0.00 C ATOM 0 H MET A 52 1.008 -19.866 -7.536 1.00 0.00 H new ATOM 0 HA MET A 52 0.219 -21.037 -4.897 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.501 -22.369 -7.623 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.624 -22.765 -6.339 1.00 0.00 H new ATOM 0 HG2 MET A 52 -0.781 -20.559 -8.394 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.040 -21.646 -7.842 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.662 -20.384 -4.052 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.176 -20.950 -4.798 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.649 -21.805 -5.123 1.00 0.00 H new ATOM 770 N THR A 53 3.056 -21.142 -5.207 1.00 0.00 N ATOM 771 CA THR A 53 4.374 -21.778 -4.930 1.00 0.00 C ATOM 772 C THR A 53 4.616 -21.890 -3.416 1.00 0.00 C ATOM 773 O THR A 53 4.657 -22.982 -2.885 1.00 0.00 O ATOM 774 CB THR A 53 5.404 -20.861 -5.592 1.00 0.00 C ATOM 775 OG1 THR A 53 4.806 -19.601 -5.869 1.00 0.00 O ATOM 776 CG2 THR A 53 5.883 -21.495 -6.897 1.00 0.00 C ATOM 0 H THR A 53 3.027 -20.131 -5.077 1.00 0.00 H new ATOM 0 HA THR A 53 4.432 -22.794 -5.320 1.00 0.00 H new ATOM 0 HB THR A 53 6.252 -20.722 -4.922 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.465 -19.012 -6.292 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.617 -20.843 -7.370 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.339 -22.462 -6.686 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.035 -21.633 -7.567 1.00 0.00 H new ATOM 784 N PRO A 54 4.768 -20.763 -2.761 1.00 0.00 N ATOM 785 CA PRO A 54 5.003 -20.773 -1.295 1.00 0.00 C ATOM 786 C PRO A 54 3.707 -21.124 -0.551 1.00 0.00 C ATOM 787 O PRO A 54 3.380 -22.280 -0.374 1.00 0.00 O ATOM 788 CB PRO A 54 5.443 -19.344 -0.991 1.00 0.00 C ATOM 789 CG PRO A 54 4.849 -18.516 -2.086 1.00 0.00 C ATOM 790 CD PRO A 54 4.741 -19.397 -3.303 1.00 0.00 C ATOM 0 HA PRO A 54 5.741 -21.511 -0.981 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.086 -19.020 -0.013 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.530 -19.260 -0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.868 -18.140 -1.795 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.474 -17.648 -2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.820 -19.205 -3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.567 -19.226 -3.993 1.00 0.00 H new ATOM 798 N HIS A 55 2.964 -20.139 -0.114 1.00 0.00 N ATOM 799 CA HIS A 55 1.691 -20.436 0.615 1.00 0.00 C ATOM 800 C HIS A 55 0.528 -20.494 -0.377 1.00 0.00 C ATOM 801 O HIS A 55 0.130 -19.492 -0.938 1.00 0.00 O ATOM 802 CB HIS A 55 1.473 -19.282 1.609 1.00 0.00 C ATOM 803 CG HIS A 55 2.782 -18.628 1.960 1.00 0.00 C ATOM 804 ND1 HIS A 55 3.320 -17.609 1.194 1.00 0.00 N ATOM 805 CD2 HIS A 55 3.675 -18.844 2.980 1.00 0.00 C ATOM 806 CE1 HIS A 55 4.485 -17.253 1.755 1.00 0.00 C ATOM 807 NE2 HIS A 55 4.751 -17.973 2.849 1.00 0.00 N ATOM 0 H HIS A 55 3.180 -19.149 -0.229 1.00 0.00 H new ATOM 0 HA HIS A 55 1.745 -21.395 1.130 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.797 -18.545 1.176 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.995 -19.660 2.513 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.560 -19.578 3.764 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.130 -16.478 1.369 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.567 -17.900 3.457 1.00 0.00 H new ATOM 815 N TRP A 56 -0.021 -21.655 -0.604 1.00 0.00 N ATOM 816 CA TRP A 56 -1.155 -21.758 -1.565 1.00 0.00 C ATOM 817 C TRP A 56 -2.455 -21.289 -0.912 1.00 0.00 C ATOM 818 O TRP A 56 -2.674 -21.485 0.267 1.00 0.00 O ATOM 819 CB TRP A 56 -1.250 -23.239 -1.924 1.00 0.00 C ATOM 820 CG TRP A 56 -2.011 -23.373 -3.201 1.00 0.00 C ATOM 821 CD1 TRP A 56 -3.277 -22.950 -3.396 1.00 0.00 C ATOM 822 CD2 TRP A 56 -1.578 -23.946 -4.460 1.00 0.00 C ATOM 823 NE1 TRP A 56 -3.646 -23.219 -4.691 1.00 0.00 N ATOM 824 CE2 TRP A 56 -2.635 -23.837 -5.391 1.00 0.00 C ATOM 825 CE3 TRP A 56 -0.384 -24.539 -4.879 1.00 0.00 C ATOM 826 CZ2 TRP A 56 -2.511 -24.303 -6.696 1.00 0.00 C ATOM 827 CZ3 TRP A 56 -0.252 -25.008 -6.192 1.00 0.00 C ATOM 828 CH2 TRP A 56 -1.313 -24.891 -7.101 1.00 0.00 C ATOM 0 H TRP A 56 0.264 -22.532 -0.169 1.00 0.00 H new ATOM 0 HA TRP A 56 -0.996 -21.134 -2.444 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -0.253 -23.667 -2.031 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.749 -23.790 -1.127 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.901 -22.476 -2.653 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.558 -22.989 -5.086 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.440 -24.636 -4.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.334 -24.210 -7.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 0.675 -25.464 -6.507 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.203 -25.255 -8.112 1.00 0.00 H new ATOM 839 N HIS A 57 -3.324 -20.675 -1.670 1.00 0.00 N ATOM 840 CA HIS A 57 -4.609 -20.205 -1.085 1.00 0.00 C ATOM 841 C HIS A 57 -5.618 -19.872 -2.184 1.00 0.00 C ATOM 842 O HIS A 57 -5.350 -20.020 -3.360 1.00 0.00 O ATOM 843 CB HIS A 57 -4.241 -18.944 -0.305 1.00 0.00 C ATOM 844 CG HIS A 57 -3.626 -17.947 -1.249 1.00 0.00 C ATOM 845 ND1 HIS A 57 -4.327 -17.412 -2.319 1.00 0.00 N ATOM 846 CD2 HIS A 57 -2.371 -17.393 -1.309 1.00 0.00 C ATOM 847 CE1 HIS A 57 -3.497 -16.580 -2.972 1.00 0.00 C ATOM 848 NE2 HIS A 57 -2.292 -16.530 -2.399 1.00 0.00 N ATOM 0 H HIS A 57 -3.199 -20.480 -2.663 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.073 -20.965 -0.457 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.128 -18.520 0.165 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.541 -19.187 0.495 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.296 -17.613 -2.566 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.568 -17.596 -0.616 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.772 -16.020 -3.854 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.487 -15.978 -2.696 1.00 0.00 H new ATOM 856 N GLN A 58 -6.778 -19.413 -1.802 1.00 0.00 N ATOM 857 CA GLN A 58 -7.813 -19.054 -2.810 1.00 0.00 C ATOM 858 C GLN A 58 -7.760 -17.550 -3.089 1.00 0.00 C ATOM 859 O GLN A 58 -6.730 -16.921 -2.945 1.00 0.00 O ATOM 860 CB GLN A 58 -9.145 -19.433 -2.160 1.00 0.00 C ATOM 861 CG GLN A 58 -9.153 -20.930 -1.843 1.00 0.00 C ATOM 862 CD GLN A 58 -9.939 -21.676 -2.924 1.00 0.00 C ATOM 863 OE1 GLN A 58 -10.034 -21.159 -4.118 1.00 0.00 O flip ATOM 864 NE2 GLN A 58 -10.472 -22.740 -2.678 1.00 0.00 N flip ATOM 0 H GLN A 58 -7.054 -19.271 -0.830 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.667 -19.565 -3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.293 -18.857 -1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.970 -19.188 -2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.132 -21.308 -1.795 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -9.604 -21.103 -0.866 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -10.397 -23.144 -1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -10.994 -23.229 -3.405 1.00 0.00 H new ATOM 873 N ARG A 59 -8.859 -16.967 -3.480 1.00 0.00 N ATOM 874 CA ARG A 59 -8.865 -15.503 -3.761 1.00 0.00 C ATOM 875 C ARG A 59 -7.605 -15.104 -4.534 1.00 0.00 C ATOM 876 O ARG A 59 -6.638 -14.637 -3.967 1.00 0.00 O ATOM 877 CB ARG A 59 -8.884 -14.836 -2.385 1.00 0.00 C ATOM 878 CG ARG A 59 -10.285 -14.292 -2.103 1.00 0.00 C ATOM 879 CD ARG A 59 -11.287 -15.449 -2.065 1.00 0.00 C ATOM 880 NE ARG A 59 -12.118 -15.279 -3.289 1.00 0.00 N ATOM 881 CZ ARG A 59 -13.198 -15.995 -3.450 1.00 0.00 C ATOM 882 NH1 ARG A 59 -13.163 -17.284 -3.249 1.00 0.00 N ATOM 883 NH2 ARG A 59 -14.313 -15.422 -3.812 1.00 0.00 N ATOM 0 H ARG A 59 -9.752 -17.440 -3.617 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.717 -15.204 -4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.600 -15.555 -1.616 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.154 -14.027 -2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.294 -13.758 -1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.570 -13.576 -2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.777 -16.413 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.899 -15.412 -1.164 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.843 -14.603 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.292 -17.733 -2.966 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.007 -17.843 -3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.341 -14.415 -3.969 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.157 -15.982 -3.938 1.00 0.00 H new ATOM 897 N THR A 60 -7.612 -15.287 -5.824 1.00 0.00 N ATOM 898 CA THR A 60 -6.416 -14.919 -6.641 1.00 0.00 C ATOM 899 C THR A 60 -6.811 -13.953 -7.744 1.00 0.00 C ATOM 900 O THR A 60 -7.974 -13.790 -8.058 1.00 0.00 O ATOM 901 CB THR A 60 -5.909 -16.221 -7.277 1.00 0.00 C ATOM 902 OG1 THR A 60 -5.320 -15.922 -8.535 1.00 0.00 O ATOM 903 CG2 THR A 60 -7.068 -17.201 -7.486 1.00 0.00 C ATOM 0 H THR A 60 -8.394 -15.676 -6.351 1.00 0.00 H new ATOM 0 HA THR A 60 -5.656 -14.442 -6.023 1.00 0.00 H new ATOM 0 HB THR A 60 -5.175 -16.678 -6.614 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.609 -16.569 -8.725 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.691 -18.119 -7.938 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.527 -17.432 -6.525 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.811 -16.751 -8.144 1.00 0.00 H new ATOM 911 N THR A 61 -5.850 -13.333 -8.357 1.00 0.00 N ATOM 912 CA THR A 61 -6.173 -12.405 -9.462 1.00 0.00 C ATOM 913 C THR A 61 -6.677 -13.215 -10.646 1.00 0.00 C ATOM 914 O THR A 61 -7.250 -12.686 -11.578 1.00 0.00 O ATOM 915 CB THR A 61 -4.865 -11.699 -9.794 1.00 0.00 C ATOM 916 OG1 THR A 61 -3.771 -12.492 -9.351 1.00 0.00 O ATOM 917 CG2 THR A 61 -4.849 -10.353 -9.082 1.00 0.00 C ATOM 0 H THR A 61 -4.858 -13.429 -8.141 1.00 0.00 H new ATOM 0 HA THR A 61 -6.947 -11.682 -9.203 1.00 0.00 H new ATOM 0 HB THR A 61 -4.780 -11.551 -10.870 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.930 -12.038 -9.566 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.918 -9.833 -9.308 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.693 -9.752 -9.421 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.924 -10.510 -8.006 1.00 0.00 H new ATOM 925 N GLU A 62 -6.492 -14.509 -10.606 1.00 0.00 N ATOM 926 CA GLU A 62 -6.986 -15.344 -11.715 1.00 0.00 C ATOM 927 C GLU A 62 -8.496 -15.411 -11.607 1.00 0.00 C ATOM 928 O GLU A 62 -9.207 -15.511 -12.587 1.00 0.00 O ATOM 929 CB GLU A 62 -6.349 -16.719 -11.515 1.00 0.00 C ATOM 930 CG GLU A 62 -5.650 -17.148 -12.806 1.00 0.00 C ATOM 931 CD GLU A 62 -4.243 -17.652 -12.480 1.00 0.00 C ATOM 932 OE1 GLU A 62 -4.102 -18.362 -11.499 1.00 0.00 O ATOM 933 OE2 GLU A 62 -3.330 -17.319 -13.218 1.00 0.00 O ATOM 0 H GLU A 62 -6.022 -15.012 -9.853 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.733 -14.954 -12.701 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.632 -16.684 -10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.111 -17.449 -11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.224 -17.932 -13.300 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.596 -16.309 -13.499 1.00 0.00 H new ATOM 940 N TYR A 63 -8.988 -15.314 -10.409 1.00 0.00 N ATOM 941 CA TYR A 63 -10.450 -15.324 -10.210 1.00 0.00 C ATOM 942 C TYR A 63 -10.922 -13.883 -10.009 1.00 0.00 C ATOM 943 O TYR A 63 -12.089 -13.627 -9.788 1.00 0.00 O ATOM 944 CB TYR A 63 -10.689 -16.161 -8.953 1.00 0.00 C ATOM 945 CG TYR A 63 -11.366 -17.457 -9.334 1.00 0.00 C ATOM 946 CD1 TYR A 63 -12.737 -17.476 -9.619 1.00 0.00 C ATOM 947 CD2 TYR A 63 -10.622 -18.642 -9.401 1.00 0.00 C ATOM 948 CE1 TYR A 63 -13.363 -18.677 -9.972 1.00 0.00 C ATOM 949 CE2 TYR A 63 -11.248 -19.843 -9.753 1.00 0.00 C ATOM 950 CZ TYR A 63 -12.618 -19.861 -10.039 1.00 0.00 C ATOM 951 OH TYR A 63 -13.236 -21.045 -10.385 1.00 0.00 O ATOM 0 H TYR A 63 -8.434 -15.228 -9.557 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.995 -15.740 -11.058 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.742 -16.366 -8.454 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -11.309 -15.608 -8.247 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -13.312 -16.563 -9.566 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.565 -18.629 -9.181 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -14.420 -18.691 -10.193 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.674 -20.756 -9.804 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.577 -21.770 -10.386 1.00 0.00 H new ATOM 961 N TYR A 64 -10.017 -12.934 -10.088 1.00 0.00 N ATOM 962 CA TYR A 64 -10.423 -11.510 -9.903 1.00 0.00 C ATOM 963 C TYR A 64 -9.631 -10.607 -10.851 1.00 0.00 C ATOM 964 O TYR A 64 -8.601 -10.075 -10.488 1.00 0.00 O ATOM 965 CB TYR A 64 -10.088 -11.187 -8.447 1.00 0.00 C ATOM 966 CG TYR A 64 -11.170 -11.741 -7.552 1.00 0.00 C ATOM 967 CD1 TYR A 64 -11.065 -13.043 -7.051 1.00 0.00 C ATOM 968 CD2 TYR A 64 -12.280 -10.952 -7.225 1.00 0.00 C ATOM 969 CE1 TYR A 64 -12.069 -13.558 -6.223 1.00 0.00 C ATOM 970 CE2 TYR A 64 -13.284 -11.467 -6.397 1.00 0.00 C ATOM 971 CZ TYR A 64 -13.179 -12.769 -5.896 1.00 0.00 C ATOM 972 OH TYR A 64 -14.168 -13.277 -5.080 1.00 0.00 O ATOM 0 H TYR A 64 -9.025 -13.085 -10.271 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.479 -11.350 -10.122 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.123 -11.618 -8.180 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.005 -10.109 -8.311 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.209 -13.651 -7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.361 -9.947 -7.612 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.988 -14.563 -5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -14.140 -10.859 -6.145 1.00 0.00 H new ATOM 0 HH TYR A 64 -14.866 -12.601 -4.951 1.00 0.00 H new ATOM 982 N PRO A 65 -10.147 -10.464 -12.042 1.00 0.00 N ATOM 983 CA PRO A 65 -9.486 -9.616 -13.063 1.00 0.00 C ATOM 984 C PRO A 65 -9.689 -8.135 -12.736 1.00 0.00 C ATOM 985 O PRO A 65 -9.175 -7.265 -13.411 1.00 0.00 O ATOM 986 CB PRO A 65 -10.203 -9.989 -14.357 1.00 0.00 C ATOM 987 CG PRO A 65 -11.544 -10.496 -13.928 1.00 0.00 C ATOM 988 CD PRO A 65 -11.383 -11.074 -12.545 1.00 0.00 C ATOM 0 HA PRO A 65 -8.409 -9.772 -13.119 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -10.300 -9.127 -15.016 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.651 -10.751 -14.908 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.277 -9.689 -13.924 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -11.908 -11.254 -14.621 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.235 -10.830 -11.910 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.308 -12.161 -12.574 1.00 0.00 H new ATOM 996 N ASN A 66 -10.436 -7.841 -11.708 1.00 0.00 N ATOM 997 CA ASN A 66 -10.673 -6.415 -11.343 1.00 0.00 C ATOM 998 C ASN A 66 -10.291 -6.168 -9.880 1.00 0.00 C ATOM 999 O ASN A 66 -10.644 -5.160 -9.301 1.00 0.00 O ATOM 1000 CB ASN A 66 -12.172 -6.198 -11.548 1.00 0.00 C ATOM 1001 CG ASN A 66 -12.953 -7.261 -10.774 1.00 0.00 C ATOM 1002 OD1 ASN A 66 -12.847 -8.437 -11.059 1.00 0.00 O ATOM 1003 ND2 ASN A 66 -13.738 -6.894 -9.799 1.00 0.00 N ATOM 0 H ASN A 66 -10.892 -8.525 -11.105 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.074 -5.732 -11.945 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.456 -5.203 -11.207 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -12.416 -6.253 -12.609 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -14.263 -7.595 -9.276 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -13.827 -5.906 -9.560 1.00 0.00 H new ATOM 1010 N GLY A 67 -9.572 -7.076 -9.280 1.00 0.00 N ATOM 1011 CA GLY A 67 -9.170 -6.884 -7.858 1.00 0.00 C ATOM 1012 C GLY A 67 -8.353 -5.599 -7.734 1.00 0.00 C ATOM 1013 O GLY A 67 -8.337 -4.957 -6.702 1.00 0.00 O ATOM 0 H GLY A 67 -9.246 -7.941 -9.712 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.054 -6.830 -7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.583 -7.736 -7.516 1.00 0.00 H new ATOM 1017 N GLY A 68 -7.662 -5.225 -8.774 1.00 0.00 N ATOM 1018 CA GLY A 68 -6.833 -3.993 -8.712 1.00 0.00 C ATOM 1019 C GLY A 68 -5.504 -4.332 -8.045 1.00 0.00 C ATOM 1020 O GLY A 68 -4.631 -3.497 -7.911 1.00 0.00 O ATOM 0 H GLY A 68 -7.636 -5.721 -9.665 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.663 -3.601 -9.715 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.351 -3.217 -8.149 1.00 0.00 H new ATOM 1024 N LEU A 69 -5.344 -5.557 -7.626 1.00 0.00 N ATOM 1025 CA LEU A 69 -4.075 -5.957 -6.970 1.00 0.00 C ATOM 1026 C LEU A 69 -3.362 -6.998 -7.826 1.00 0.00 C ATOM 1027 O LEU A 69 -2.886 -8.009 -7.352 1.00 0.00 O ATOM 1028 CB LEU A 69 -4.488 -6.528 -5.615 1.00 0.00 C ATOM 1029 CG LEU A 69 -5.701 -7.450 -5.752 1.00 0.00 C ATOM 1030 CD1 LEU A 69 -5.391 -8.584 -6.728 1.00 0.00 C ATOM 1031 CD2 LEU A 69 -6.025 -8.040 -4.378 1.00 0.00 C ATOM 0 H LEU A 69 -6.041 -6.297 -7.711 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.380 -5.126 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.655 -7.080 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.722 -5.713 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.550 -6.881 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.261 -9.234 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.147 -8.167 -7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.543 -9.161 -6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.889 -8.700 -4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.168 -8.607 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.250 -7.234 -3.680 1.00 0.00 H new ATOM 1043 N THR A 70 -3.296 -6.738 -9.093 1.00 0.00 N ATOM 1044 CA THR A 70 -2.631 -7.686 -10.035 1.00 0.00 C ATOM 1045 C THR A 70 -1.252 -8.090 -9.512 1.00 0.00 C ATOM 1046 O THR A 70 -0.668 -7.424 -8.681 1.00 0.00 O ATOM 1047 CB THR A 70 -2.494 -6.912 -11.347 1.00 0.00 C ATOM 1048 OG1 THR A 70 -1.761 -5.716 -11.115 1.00 0.00 O ATOM 1049 CG2 THR A 70 -3.882 -6.567 -11.891 1.00 0.00 C ATOM 0 H THR A 70 -3.678 -5.899 -9.529 1.00 0.00 H new ATOM 0 HA THR A 70 -3.203 -8.606 -10.156 1.00 0.00 H new ATOM 0 HB THR A 70 -1.967 -7.527 -12.077 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.455 -5.695 -10.184 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.780 -6.016 -12.826 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.441 -7.485 -12.071 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.415 -5.954 -11.165 1.00 0.00 H new ATOM 1057 N ARG A 71 -0.729 -9.182 -9.999 1.00 0.00 N ATOM 1058 CA ARG A 71 0.612 -9.638 -9.540 1.00 0.00 C ATOM 1059 C ARG A 71 0.688 -9.598 -8.009 1.00 0.00 C ATOM 1060 O ARG A 71 -0.191 -10.081 -7.324 1.00 0.00 O ATOM 1061 CB ARG A 71 1.597 -8.648 -10.165 1.00 0.00 C ATOM 1062 CG ARG A 71 1.467 -8.692 -11.689 1.00 0.00 C ATOM 1063 CD ARG A 71 1.092 -7.303 -12.209 1.00 0.00 C ATOM 1064 NE ARG A 71 0.268 -7.556 -13.423 1.00 0.00 N ATOM 1065 CZ ARG A 71 -0.452 -6.596 -13.937 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -0.401 -5.393 -13.431 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -1.224 -6.839 -14.961 1.00 0.00 N ATOM 0 H ARG A 71 -1.174 -9.779 -10.696 1.00 0.00 H new ATOM 0 HA ARG A 71 0.829 -10.665 -9.835 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.396 -7.640 -9.801 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.616 -8.897 -9.869 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.406 -9.018 -12.136 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.707 -9.418 -11.979 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.532 -6.740 -11.462 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.980 -6.718 -12.449 1.00 0.00 H new ATOM 0 HE ARG A 71 0.266 -8.481 -13.854 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.203 -5.201 -12.632 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.965 -4.645 -13.835 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.264 -7.778 -15.358 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.787 -6.090 -15.364 1.00 0.00 H new ATOM 1081 N ASN A 72 1.733 -9.032 -7.467 1.00 0.00 N ATOM 1082 CA ASN A 72 1.864 -8.969 -5.984 1.00 0.00 C ATOM 1083 C ASN A 72 1.433 -7.596 -5.465 1.00 0.00 C ATOM 1084 O ASN A 72 1.992 -7.085 -4.516 1.00 0.00 O ATOM 1085 CB ASN A 72 3.354 -9.188 -5.723 1.00 0.00 C ATOM 1086 CG ASN A 72 4.156 -8.019 -6.303 1.00 0.00 C ATOM 1087 OD1 ASN A 72 4.032 -6.833 -5.770 1.00 0.00 O flip ATOM 1088 ND2 ASN A 72 4.903 -8.186 -7.246 1.00 0.00 N flip ATOM 0 H ASN A 72 2.502 -8.610 -7.988 1.00 0.00 H new ATOM 0 HA ASN A 72 1.237 -9.706 -5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.537 -9.271 -4.652 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.679 -10.125 -6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.000 -9.112 -7.662 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.434 -7.400 -7.622 1.00 0.00 H new ATOM 1095 N TYR A 73 0.457 -6.985 -6.069 1.00 0.00 N ATOM 1096 CA TYR A 73 0.032 -5.640 -5.582 1.00 0.00 C ATOM 1097 C TYR A 73 -0.775 -5.779 -4.289 1.00 0.00 C ATOM 1098 O TYR A 73 -1.660 -6.603 -4.176 1.00 0.00 O ATOM 1099 CB TYR A 73 -0.832 -5.058 -6.702 1.00 0.00 C ATOM 1100 CG TYR A 73 0.019 -4.764 -7.922 1.00 0.00 C ATOM 1101 CD1 TYR A 73 1.381 -5.100 -7.939 1.00 0.00 C ATOM 1102 CD2 TYR A 73 -0.561 -4.151 -9.040 1.00 0.00 C ATOM 1103 CE1 TYR A 73 2.157 -4.823 -9.071 1.00 0.00 C ATOM 1104 CE2 TYR A 73 0.216 -3.875 -10.172 1.00 0.00 C ATOM 1105 CZ TYR A 73 1.576 -4.210 -10.187 1.00 0.00 C ATOM 1106 OH TYR A 73 2.342 -3.937 -11.301 1.00 0.00 O ATOM 0 H TYR A 73 -0.061 -7.349 -6.868 1.00 0.00 H new ATOM 0 HA TYR A 73 0.882 -4.996 -5.357 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.624 -5.760 -6.963 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.317 -4.144 -6.359 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.831 -5.573 -7.078 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.609 -3.891 -9.029 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.205 -5.083 -9.083 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.233 -3.404 -11.034 1.00 0.00 H new ATOM 0 HH TYR A 73 1.784 -3.512 -11.985 1.00 0.00 H new ATOM 1116 N CYS A 74 -0.462 -4.974 -3.316 1.00 0.00 N ATOM 1117 CA CYS A 74 -1.189 -5.037 -2.014 1.00 0.00 C ATOM 1118 C CYS A 74 -2.583 -4.422 -2.153 1.00 0.00 C ATOM 1119 O CYS A 74 -2.781 -3.468 -2.879 1.00 0.00 O ATOM 1120 CB CYS A 74 -0.335 -4.214 -1.047 1.00 0.00 C ATOM 1121 SG CYS A 74 -0.755 -4.655 0.658 1.00 0.00 S ATOM 0 H CYS A 74 0.272 -4.268 -3.364 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.329 -6.061 -1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 74 0.723 -4.400 -1.232 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.505 -3.150 -1.211 1.00 0.00 H new ATOM 1126 N ARG A 75 -3.552 -4.962 -1.466 1.00 0.00 N ATOM 1127 CA ARG A 75 -4.932 -4.407 -1.566 1.00 0.00 C ATOM 1128 C ARG A 75 -5.771 -4.840 -0.358 1.00 0.00 C ATOM 1129 O ARG A 75 -5.326 -5.603 0.476 1.00 0.00 O ATOM 1130 CB ARG A 75 -5.486 -5.004 -2.856 1.00 0.00 C ATOM 1131 CG ARG A 75 -5.689 -3.888 -3.890 1.00 0.00 C ATOM 1132 CD ARG A 75 -7.094 -3.995 -4.488 1.00 0.00 C ATOM 1133 NE ARG A 75 -7.120 -2.988 -5.585 1.00 0.00 N ATOM 1134 CZ ARG A 75 -7.895 -1.942 -5.493 1.00 0.00 C ATOM 1135 NH1 ARG A 75 -7.877 -1.210 -4.413 1.00 0.00 N ATOM 1136 NH2 ARG A 75 -8.687 -1.628 -6.482 1.00 0.00 N ATOM 0 H ARG A 75 -3.449 -5.762 -0.841 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.948 -3.317 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.799 -5.755 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.432 -5.508 -2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.556 -2.914 -3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.940 -3.967 -4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.287 -4.998 -4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.859 -3.785 -3.740 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.532 -3.116 -6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.257 -1.455 -3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.483 -0.392 -4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.700 -2.200 -7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.293 -0.811 -6.410 1.00 0.00 H new ATOM 1150 N ASN A 76 -6.980 -4.354 -0.253 1.00 0.00 N ATOM 1151 CA ASN A 76 -7.839 -4.734 0.906 1.00 0.00 C ATOM 1152 C ASN A 76 -9.207 -5.221 0.424 1.00 0.00 C ATOM 1153 O ASN A 76 -10.150 -4.458 0.364 1.00 0.00 O ATOM 1154 CB ASN A 76 -7.992 -3.450 1.723 1.00 0.00 C ATOM 1155 CG ASN A 76 -8.244 -3.806 3.189 1.00 0.00 C ATOM 1156 OD1 ASN A 76 -8.027 -4.929 3.599 1.00 0.00 O ATOM 1157 ND2 ASN A 76 -8.695 -2.890 4.003 1.00 0.00 N ATOM 0 H ASN A 76 -7.409 -3.711 -0.919 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.402 -5.545 1.489 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.092 -2.841 1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.819 -2.855 1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.865 -3.117 4.983 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -8.877 -1.947 3.659 1.00 0.00 H new ATOM 1164 N PRO A 77 -9.270 -6.483 0.104 1.00 0.00 N ATOM 1165 CA PRO A 77 -10.539 -7.085 -0.368 1.00 0.00 C ATOM 1166 C PRO A 77 -11.511 -7.262 0.803 1.00 0.00 C ATOM 1167 O PRO A 77 -12.615 -7.741 0.639 1.00 0.00 O ATOM 1168 CB PRO A 77 -10.108 -8.437 -0.927 1.00 0.00 C ATOM 1169 CG PRO A 77 -8.836 -8.766 -0.212 1.00 0.00 C ATOM 1170 CD PRO A 77 -8.177 -7.459 0.150 1.00 0.00 C ATOM 0 HA PRO A 77 -11.058 -6.472 -1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.868 -9.198 -0.749 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.953 -8.387 -2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.039 -9.355 0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.182 -9.364 -0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.723 -7.502 1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.385 -7.204 -0.554 1.00 0.00 H new ATOM 1178 N ASP A 78 -11.107 -6.882 1.986 1.00 0.00 N ATOM 1179 CA ASP A 78 -12.008 -7.032 3.166 1.00 0.00 C ATOM 1180 C ASP A 78 -12.357 -5.659 3.747 1.00 0.00 C ATOM 1181 O ASP A 78 -13.143 -5.545 4.667 1.00 0.00 O ATOM 1182 CB ASP A 78 -11.204 -7.850 4.177 1.00 0.00 C ATOM 1183 CG ASP A 78 -12.050 -9.025 4.669 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -12.863 -9.508 3.899 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -11.871 -9.421 5.810 1.00 0.00 O ATOM 0 H ASP A 78 -10.193 -6.475 2.186 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.950 -7.515 2.905 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.286 -8.216 3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.910 -7.222 5.018 1.00 0.00 H new ATOM 1190 N ALA A 79 -11.778 -4.615 3.220 1.00 0.00 N ATOM 1191 CA ALA A 79 -12.079 -3.253 3.745 1.00 0.00 C ATOM 1192 C ALA A 79 -11.640 -3.140 5.208 1.00 0.00 C ATOM 1193 O ALA A 79 -12.004 -2.214 5.906 1.00 0.00 O ATOM 1194 CB ALA A 79 -13.597 -3.109 3.628 1.00 0.00 C ATOM 0 H ALA A 79 -11.110 -4.646 2.450 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.552 -2.473 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.899 -2.128 3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.893 -3.212 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -14.083 -3.884 4.221 1.00 0.00 H new ATOM 1200 N GLU A 80 -10.861 -4.076 5.678 1.00 0.00 N ATOM 1201 CA GLU A 80 -10.399 -4.020 7.096 1.00 0.00 C ATOM 1202 C GLU A 80 -9.636 -2.717 7.348 1.00 0.00 C ATOM 1203 O GLU A 80 -9.795 -1.747 6.634 1.00 0.00 O ATOM 1204 CB GLU A 80 -9.475 -5.228 7.259 1.00 0.00 C ATOM 1205 CG GLU A 80 -9.674 -5.839 8.648 1.00 0.00 C ATOM 1206 CD GLU A 80 -9.722 -7.365 8.535 1.00 0.00 C ATOM 1207 OE1 GLU A 80 -9.794 -7.855 7.421 1.00 0.00 O ATOM 1208 OE2 GLU A 80 -9.686 -8.017 9.566 1.00 0.00 O ATOM 0 H GLU A 80 -10.524 -4.876 5.143 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.227 -4.045 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.689 -5.970 6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.436 -4.925 7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.861 -5.538 9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.598 -5.468 9.091 1.00 0.00 H new ATOM 1215 N ILE A 81 -8.808 -2.683 8.357 1.00 0.00 N ATOM 1216 CA ILE A 81 -8.040 -1.438 8.643 1.00 0.00 C ATOM 1217 C ILE A 81 -7.359 -0.939 7.367 1.00 0.00 C ATOM 1218 O ILE A 81 -7.245 0.248 7.133 1.00 0.00 O ATOM 1219 CB ILE A 81 -6.994 -1.837 9.684 1.00 0.00 C ATOM 1220 CG1 ILE A 81 -6.238 -3.074 9.206 1.00 0.00 C ATOM 1221 CG2 ILE A 81 -7.677 -2.156 11.009 1.00 0.00 C ATOM 1222 CD1 ILE A 81 -4.865 -2.654 8.689 1.00 0.00 C ATOM 0 H ILE A 81 -8.631 -3.460 8.993 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.681 -0.634 9.003 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.299 -1.009 9.820 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.130 -3.787 10.023 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.799 -3.576 8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.926 -2.440 11.746 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.217 -1.277 11.361 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.377 -2.980 10.869 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.321 -3.534 8.346 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.986 -1.956 7.860 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.306 -2.171 9.491 1.00 0.00 H new ATOM 1234 N SER A 82 -6.906 -1.841 6.539 1.00 0.00 N ATOM 1235 CA SER A 82 -6.234 -1.424 5.277 1.00 0.00 C ATOM 1236 C SER A 82 -5.915 -2.653 4.416 1.00 0.00 C ATOM 1237 O SER A 82 -6.229 -3.768 4.782 1.00 0.00 O ATOM 1238 CB SER A 82 -4.952 -0.724 5.725 1.00 0.00 C ATOM 1239 OG SER A 82 -4.953 0.610 5.235 1.00 0.00 O ATOM 0 H SER A 82 -6.973 -2.849 6.683 1.00 0.00 H new ATOM 0 HA SER A 82 -6.859 -0.770 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.884 -0.725 6.813 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.080 -1.261 5.351 1.00 0.00 H new ATOM 0 HG SER A 82 -4.469 1.189 5.860 1.00 0.00 H new ATOM 1245 N PRO A 83 -5.310 -2.397 3.289 1.00 0.00 N ATOM 1246 CA PRO A 83 -4.951 -3.486 2.345 1.00 0.00 C ATOM 1247 C PRO A 83 -3.778 -4.325 2.863 1.00 0.00 C ATOM 1248 O PRO A 83 -2.867 -3.830 3.498 1.00 0.00 O ATOM 1249 CB PRO A 83 -4.566 -2.738 1.071 1.00 0.00 C ATOM 1250 CG PRO A 83 -4.147 -1.378 1.527 1.00 0.00 C ATOM 1251 CD PRO A 83 -4.909 -1.079 2.792 1.00 0.00 C ATOM 0 HA PRO A 83 -5.766 -4.195 2.199 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.756 -3.245 0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.406 -2.680 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.073 -1.347 1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.363 -0.632 0.762 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.288 -0.552 3.516 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.775 -0.447 2.595 1.00 0.00 H new ATOM 1259 N TRP A 84 -3.804 -5.599 2.577 1.00 0.00 N ATOM 1260 CA TRP A 84 -2.708 -6.512 3.020 1.00 0.00 C ATOM 1261 C TRP A 84 -2.387 -7.499 1.892 1.00 0.00 C ATOM 1262 O TRP A 84 -2.842 -7.336 0.777 1.00 0.00 O ATOM 1263 CB TRP A 84 -3.275 -7.252 4.230 1.00 0.00 C ATOM 1264 CG TRP A 84 -4.624 -7.796 3.886 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -5.798 -7.177 4.148 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -4.959 -9.049 3.221 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -6.833 -7.971 3.688 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -6.367 -9.134 3.109 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -4.188 -10.109 2.709 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -6.988 -10.232 2.511 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -4.811 -11.215 2.106 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -6.208 -11.276 2.008 1.00 0.00 C ATOM 0 H TRP A 84 -4.548 -6.053 2.048 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.789 -5.981 3.267 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -2.607 -8.062 4.522 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -3.349 -6.577 5.083 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -5.909 -6.220 4.636 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.820 -7.727 3.767 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.111 -10.072 2.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -8.065 -10.274 2.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.210 -12.023 1.716 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -6.681 -12.129 1.544 1.00 0.00 H new ATOM 1283 N CYS A 85 -1.616 -8.522 2.157 1.00 0.00 N ATOM 1284 CA CYS A 85 -1.297 -9.493 1.068 1.00 0.00 C ATOM 1285 C CYS A 85 -0.352 -10.590 1.568 1.00 0.00 C ATOM 1286 O CYS A 85 0.276 -10.465 2.600 1.00 0.00 O ATOM 1287 CB CYS A 85 -0.608 -8.657 -0.015 1.00 0.00 C ATOM 1288 SG CYS A 85 0.170 -9.756 -1.229 1.00 0.00 S ATOM 0 H CYS A 85 -1.199 -8.725 3.065 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.192 -9.996 0.702 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.335 -8.011 -0.507 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.142 -8.007 0.435 1.00 0.00 H new ATOM 1293 N TYR A 86 -0.239 -11.657 0.825 1.00 0.00 N ATOM 1294 CA TYR A 86 0.676 -12.760 1.228 1.00 0.00 C ATOM 1295 C TYR A 86 2.127 -12.275 1.138 1.00 0.00 C ATOM 1296 O TYR A 86 2.409 -11.253 0.544 1.00 0.00 O ATOM 1297 CB TYR A 86 0.426 -13.878 0.210 1.00 0.00 C ATOM 1298 CG TYR A 86 -1.059 -14.037 -0.030 1.00 0.00 C ATOM 1299 CD1 TYR A 86 -1.909 -14.365 1.032 1.00 0.00 C ATOM 1300 CD2 TYR A 86 -1.585 -13.858 -1.318 1.00 0.00 C ATOM 1301 CE1 TYR A 86 -3.283 -14.516 0.810 1.00 0.00 C ATOM 1302 CE2 TYR A 86 -2.960 -14.008 -1.539 1.00 0.00 C ATOM 1303 CZ TYR A 86 -3.808 -14.337 -0.475 1.00 0.00 C ATOM 1304 OH TYR A 86 -5.163 -14.486 -0.692 1.00 0.00 O ATOM 0 H TYR A 86 -0.744 -11.812 -0.048 1.00 0.00 H new ATOM 0 HA TYR A 86 0.502 -13.097 2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.932 -13.647 -0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 86 0.846 -14.815 0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -1.505 -14.502 2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.930 -13.605 -2.139 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.938 -14.771 1.630 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.366 -13.870 -2.530 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.362 -14.327 -1.638 1.00 0.00 H new ATOM 1314 N THR A 87 3.051 -12.993 1.713 1.00 0.00 N ATOM 1315 CA THR A 87 4.477 -12.556 1.643 1.00 0.00 C ATOM 1316 C THR A 87 5.229 -13.373 0.596 1.00 0.00 C ATOM 1317 O THR A 87 5.084 -14.576 0.514 1.00 0.00 O ATOM 1318 CB THR A 87 5.056 -12.838 3.028 1.00 0.00 C ATOM 1319 OG1 THR A 87 4.320 -13.882 3.646 1.00 0.00 O ATOM 1320 CG2 THR A 87 4.980 -11.576 3.882 1.00 0.00 C ATOM 0 H THR A 87 2.884 -13.859 2.226 1.00 0.00 H new ATOM 0 HA THR A 87 4.563 -11.505 1.365 1.00 0.00 H new ATOM 0 HB THR A 87 6.098 -13.142 2.931 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.762 -14.740 3.474 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.394 -11.780 4.870 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.552 -10.780 3.406 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.940 -11.266 3.981 1.00 0.00 H new ATOM 1328 N MET A 88 6.042 -12.735 -0.199 1.00 0.00 N ATOM 1329 CA MET A 88 6.812 -13.484 -1.229 1.00 0.00 C ATOM 1330 C MET A 88 7.876 -14.361 -0.559 1.00 0.00 C ATOM 1331 O MET A 88 8.605 -15.073 -1.219 1.00 0.00 O ATOM 1332 CB MET A 88 7.467 -12.410 -2.098 1.00 0.00 C ATOM 1333 CG MET A 88 8.585 -11.727 -1.310 1.00 0.00 C ATOM 1334 SD MET A 88 10.184 -12.393 -1.836 1.00 0.00 S ATOM 1335 CE MET A 88 11.207 -11.489 -0.648 1.00 0.00 C ATOM 0 H MET A 88 6.206 -11.728 -0.180 1.00 0.00 H new ATOM 0 HA MET A 88 6.178 -14.148 -1.817 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.870 -12.858 -3.006 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.724 -11.675 -2.407 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.555 -10.650 -1.474 1.00 0.00 H new ATOM 0 HG3 MET A 88 8.444 -11.890 -0.242 1.00 0.00 H new ATOM 0 HE1 MET A 88 12.228 -11.868 -0.685 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.204 -10.428 -0.899 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.805 -11.626 0.356 1.00 0.00 H new ATOM 1345 N ASP A 89 7.969 -14.327 0.747 1.00 0.00 N ATOM 1346 CA ASP A 89 8.976 -15.167 1.435 1.00 0.00 C ATOM 1347 C ASP A 89 8.272 -16.308 2.166 1.00 0.00 C ATOM 1348 O ASP A 89 7.217 -16.125 2.739 1.00 0.00 O ATOM 1349 CB ASP A 89 9.666 -14.232 2.429 1.00 0.00 C ATOM 1350 CG ASP A 89 11.182 -14.410 2.328 1.00 0.00 C ATOM 1351 OD1 ASP A 89 11.686 -15.364 2.897 1.00 0.00 O ATOM 1352 OD2 ASP A 89 11.813 -13.589 1.684 1.00 0.00 O ATOM 0 H ASP A 89 7.389 -13.753 1.359 1.00 0.00 H new ATOM 0 HA ASP A 89 9.692 -15.615 0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.396 -13.197 2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.330 -14.450 3.443 1.00 0.00 H new ATOM 1357 N PRO A 90 8.890 -17.448 2.119 1.00 0.00 N ATOM 1358 CA PRO A 90 8.334 -18.649 2.784 1.00 0.00 C ATOM 1359 C PRO A 90 8.424 -18.504 4.305 1.00 0.00 C ATOM 1360 O PRO A 90 7.972 -19.352 5.048 1.00 0.00 O ATOM 1361 CB PRO A 90 9.227 -19.781 2.279 1.00 0.00 C ATOM 1362 CG PRO A 90 10.512 -19.114 1.899 1.00 0.00 C ATOM 1363 CD PRO A 90 10.159 -17.720 1.448 1.00 0.00 C ATOM 0 HA PRO A 90 7.280 -18.819 2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 90 9.385 -20.534 3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.777 -20.289 1.426 1.00 0.00 H new ATOM 0 HG2 PRO A 90 11.198 -19.085 2.745 1.00 0.00 H new ATOM 0 HG3 PRO A 90 11.012 -19.664 1.102 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.926 -17.000 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.059 -17.663 0.364 1.00 0.00 H new ATOM 1371 N ASN A 91 8.995 -17.428 4.774 1.00 0.00 N ATOM 1372 CA ASN A 91 9.102 -17.222 6.243 1.00 0.00 C ATOM 1373 C ASN A 91 7.867 -16.476 6.753 1.00 0.00 C ATOM 1374 O ASN A 91 7.665 -16.331 7.942 1.00 0.00 O ATOM 1375 CB ASN A 91 10.359 -16.370 6.435 1.00 0.00 C ATOM 1376 CG ASN A 91 11.345 -17.106 7.345 1.00 0.00 C ATOM 1377 OD1 ASN A 91 11.471 -16.784 8.510 1.00 0.00 O ATOM 1378 ND2 ASN A 91 12.056 -18.087 6.860 1.00 0.00 N ATOM 0 H ASN A 91 9.392 -16.683 4.201 1.00 0.00 H new ATOM 0 HA ASN A 91 9.162 -18.162 6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 91 10.823 -16.165 5.470 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.095 -15.407 6.872 1.00 0.00 H new ATOM 0 HD21 ASN A 91 12.717 -18.583 7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.951 -18.358 5.882 1.00 0.00 H new ATOM 1385 N VAL A 92 7.041 -15.994 5.862 1.00 0.00 N ATOM 1386 CA VAL A 92 5.828 -15.253 6.304 1.00 0.00 C ATOM 1387 C VAL A 92 4.585 -15.756 5.565 1.00 0.00 C ATOM 1388 O VAL A 92 4.631 -16.066 4.391 1.00 0.00 O ATOM 1389 CB VAL A 92 6.109 -13.797 5.938 1.00 0.00 C ATOM 1390 CG1 VAL A 92 4.896 -12.942 6.308 1.00 0.00 C ATOM 1391 CG2 VAL A 92 7.331 -13.308 6.717 1.00 0.00 C ATOM 0 H VAL A 92 7.155 -16.082 4.852 1.00 0.00 H new ATOM 0 HA VAL A 92 5.633 -15.386 7.368 1.00 0.00 H new ATOM 0 HB VAL A 92 6.301 -13.717 4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.092 -11.902 6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.022 -13.294 5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.709 -13.020 7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.535 -12.269 6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.135 -13.384 7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 92 8.195 -13.922 6.462 1.00 0.00 H new ATOM 1401 N ARG A 93 3.473 -15.828 6.243 1.00 0.00 N ATOM 1402 CA ARG A 93 2.228 -16.293 5.588 1.00 0.00 C ATOM 1403 C ARG A 93 1.526 -15.109 4.918 1.00 0.00 C ATOM 1404 O ARG A 93 1.287 -15.102 3.726 1.00 0.00 O ATOM 1405 CB ARG A 93 1.371 -16.858 6.722 1.00 0.00 C ATOM 1406 CG ARG A 93 0.558 -18.045 6.205 1.00 0.00 C ATOM 1407 CD ARG A 93 -0.793 -18.090 6.923 1.00 0.00 C ATOM 1408 NE ARG A 93 -1.005 -19.528 7.247 1.00 0.00 N ATOM 1409 CZ ARG A 93 -1.243 -20.387 6.293 1.00 0.00 C ATOM 1410 NH1 ARG A 93 -1.321 -19.985 5.053 1.00 0.00 N ATOM 1411 NH2 ARG A 93 -1.402 -21.650 6.578 1.00 0.00 N ATOM 0 H ARG A 93 3.377 -15.582 7.228 1.00 0.00 H new ATOM 0 HA ARG A 93 2.413 -17.038 4.814 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.006 -17.172 7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.704 -16.087 7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.407 -17.955 5.129 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.103 -18.974 6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.782 -17.479 7.825 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.591 -17.706 6.288 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.964 -19.843 8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.196 -18.998 4.828 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.507 -20.658 4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.340 -21.966 7.546 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.588 -22.321 5.833 1.00 0.00 H new ATOM 1425 N TRP A 94 1.204 -14.104 5.684 1.00 0.00 N ATOM 1426 CA TRP A 94 0.528 -12.902 5.117 1.00 0.00 C ATOM 1427 C TRP A 94 0.708 -11.722 6.074 1.00 0.00 C ATOM 1428 O TRP A 94 1.093 -11.897 7.213 1.00 0.00 O ATOM 1429 CB TRP A 94 -0.947 -13.289 5.002 1.00 0.00 C ATOM 1430 CG TRP A 94 -1.554 -13.354 6.367 1.00 0.00 C ATOM 1431 CD1 TRP A 94 -1.766 -14.490 7.070 1.00 0.00 C ATOM 1432 CD2 TRP A 94 -2.028 -12.260 7.204 1.00 0.00 C ATOM 1433 NE1 TRP A 94 -2.341 -14.163 8.286 1.00 0.00 N ATOM 1434 CE2 TRP A 94 -2.522 -12.800 8.415 1.00 0.00 C ATOM 1435 CE3 TRP A 94 -2.076 -10.865 7.032 1.00 0.00 C ATOM 1436 CZ2 TRP A 94 -3.045 -11.985 9.420 1.00 0.00 C ATOM 1437 CZ3 TRP A 94 -2.603 -10.042 8.041 1.00 0.00 C ATOM 1438 CH2 TRP A 94 -3.086 -10.601 9.232 1.00 0.00 C ATOM 0 H TRP A 94 1.382 -14.063 6.688 1.00 0.00 H new ATOM 0 HA TRP A 94 0.936 -12.603 4.152 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -1.479 -12.560 4.391 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -1.043 -14.254 4.504 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -1.526 -15.489 6.737 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -2.599 -14.845 8.999 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.705 -10.424 6.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -3.415 -12.421 10.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.636 -8.972 7.898 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.490 -9.963 10.004 1.00 0.00 H new ATOM 1449 N GLU A 95 0.439 -10.523 5.634 1.00 0.00 N ATOM 1450 CA GLU A 95 0.610 -9.357 6.549 1.00 0.00 C ATOM 1451 C GLU A 95 0.025 -8.089 5.926 1.00 0.00 C ATOM 1452 O GLU A 95 -0.167 -8.005 4.729 1.00 0.00 O ATOM 1453 CB GLU A 95 2.122 -9.214 6.723 1.00 0.00 C ATOM 1454 CG GLU A 95 2.421 -8.491 8.038 1.00 0.00 C ATOM 1455 CD GLU A 95 2.941 -9.497 9.067 1.00 0.00 C ATOM 1456 OE1 GLU A 95 2.198 -10.401 9.410 1.00 0.00 O ATOM 1457 OE2 GLU A 95 4.073 -9.345 9.495 1.00 0.00 O ATOM 0 H GLU A 95 0.112 -10.301 4.694 1.00 0.00 H new ATOM 0 HA GLU A 95 0.095 -9.505 7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.593 -10.197 6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.544 -8.657 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.160 -7.707 7.874 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.519 -8.006 8.412 1.00 0.00 H new ATOM 1464 N TYR A 96 -0.248 -7.096 6.730 1.00 0.00 N ATOM 1465 CA TYR A 96 -0.808 -5.830 6.180 1.00 0.00 C ATOM 1466 C TYR A 96 0.312 -5.023 5.522 1.00 0.00 C ATOM 1467 O TYR A 96 1.472 -5.371 5.617 1.00 0.00 O ATOM 1468 CB TYR A 96 -1.380 -5.084 7.387 1.00 0.00 C ATOM 1469 CG TYR A 96 -2.789 -5.560 7.646 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -3.869 -4.927 7.018 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -3.016 -6.638 8.511 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -5.175 -5.372 7.254 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -4.323 -7.082 8.747 1.00 0.00 C ATOM 1474 CZ TYR A 96 -5.402 -6.449 8.119 1.00 0.00 C ATOM 1475 OH TYR A 96 -6.690 -6.889 8.349 1.00 0.00 O ATOM 0 H TYR A 96 -0.108 -7.108 7.740 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.572 -6.002 5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -0.758 -5.258 8.265 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -1.375 -4.010 7.201 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.694 -4.095 6.352 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -2.184 -7.126 8.996 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.008 -4.884 6.769 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -4.499 -7.913 9.414 1.00 0.00 H new ATOM 0 HH TYR A 96 -6.671 -7.645 8.973 1.00 0.00 H new ATOM 1485 N CYS A 97 -0.016 -3.960 4.845 1.00 0.00 N ATOM 1486 CA CYS A 97 1.051 -3.163 4.178 1.00 0.00 C ATOM 1487 C CYS A 97 1.301 -1.847 4.920 1.00 0.00 C ATOM 1488 O CYS A 97 0.397 -1.246 5.466 1.00 0.00 O ATOM 1489 CB CYS A 97 0.523 -2.900 2.768 1.00 0.00 C ATOM 1490 SG CYS A 97 0.943 -4.296 1.694 1.00 0.00 S ATOM 0 H CYS A 97 -0.967 -3.610 4.725 1.00 0.00 H new ATOM 0 HA CYS A 97 2.005 -3.690 4.168 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -0.558 -2.760 2.793 1.00 0.00 H new ATOM 0 HB3 CYS A 97 0.955 -1.981 2.372 1.00 0.00 H new ATOM 1495 N ASN A 98 2.529 -1.395 4.936 1.00 0.00 N ATOM 1496 CA ASN A 98 2.849 -0.116 5.634 1.00 0.00 C ATOM 1497 C ASN A 98 1.947 0.998 5.116 1.00 0.00 C ATOM 1498 O ASN A 98 2.305 1.723 4.212 1.00 0.00 O ATOM 1499 CB ASN A 98 4.300 0.189 5.270 1.00 0.00 C ATOM 1500 CG ASN A 98 5.238 -0.583 6.199 1.00 0.00 C ATOM 1501 OD1 ASN A 98 4.792 -1.280 7.088 1.00 0.00 O ATOM 1502 ND2 ASN A 98 6.529 -0.488 6.030 1.00 0.00 N ATOM 0 H ASN A 98 3.324 -1.858 4.495 1.00 0.00 H new ATOM 0 HA ASN A 98 2.701 -0.192 6.711 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.491 -0.088 4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.489 1.259 5.354 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.163 -0.999 6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.904 0.097 5.283 1.00 0.00 H new ATOM 1509 N LEU A 99 0.781 1.140 5.669 1.00 0.00 N ATOM 1510 CA LEU A 99 -0.128 2.212 5.182 1.00 0.00 C ATOM 1511 C LEU A 99 -0.689 3.028 6.348 1.00 0.00 C ATOM 1512 O LEU A 99 -1.087 2.495 7.365 1.00 0.00 O ATOM 1513 CB LEU A 99 -1.248 1.472 4.453 1.00 0.00 C ATOM 1514 CG LEU A 99 -0.659 0.705 3.269 1.00 0.00 C ATOM 1515 CD1 LEU A 99 -1.370 -0.639 3.127 1.00 0.00 C ATOM 1516 CD2 LEU A 99 -0.847 1.520 1.988 1.00 0.00 C ATOM 0 H LEU A 99 0.418 0.567 6.431 1.00 0.00 H new ATOM 0 HA LEU A 99 0.388 2.921 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.748 0.784 5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.001 2.179 4.105 1.00 0.00 H new ATOM 0 HG LEU A 99 0.404 0.536 3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.950 -1.186 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.235 -1.220 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.434 -0.472 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.427 0.973 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.910 1.690 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.338 2.479 2.089 1.00 0.00 H new ATOM 1528 N THR A 100 -0.734 4.322 6.191 1.00 0.00 N ATOM 1529 CA THR A 100 -1.277 5.198 7.262 1.00 0.00 C ATOM 1530 C THR A 100 -2.577 5.847 6.788 1.00 0.00 C ATOM 1531 O THR A 100 -2.834 5.947 5.608 1.00 0.00 O ATOM 1532 CB THR A 100 -0.212 6.263 7.481 1.00 0.00 C ATOM 1533 OG1 THR A 100 -0.184 7.141 6.364 1.00 0.00 O ATOM 1534 CG2 THR A 100 1.150 5.594 7.642 1.00 0.00 C ATOM 0 H THR A 100 -0.414 4.813 5.356 1.00 0.00 H new ATOM 0 HA THR A 100 -1.498 4.647 8.176 1.00 0.00 H new ATOM 0 HB THR A 100 -0.444 6.831 8.382 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.470 6.817 5.710 1.00 0.00 H new ATOM 0 HG21 THR A 100 1.913 6.356 7.799 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.126 4.922 8.500 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.385 5.025 6.742 1.00 0.00 H new ATOM 1542 N GLN A 101 -3.395 6.294 7.694 1.00 0.00 N ATOM 1543 CA GLN A 101 -4.674 6.940 7.277 1.00 0.00 C ATOM 1544 C GLN A 101 -4.381 8.273 6.582 1.00 0.00 C ATOM 1545 O GLN A 101 -4.379 9.317 7.203 1.00 0.00 O ATOM 1546 CB GLN A 101 -5.446 7.167 8.576 1.00 0.00 C ATOM 1547 CG GLN A 101 -6.927 6.852 8.352 1.00 0.00 C ATOM 1548 CD GLN A 101 -7.719 7.212 9.610 1.00 0.00 C ATOM 1549 OE1 GLN A 101 -8.449 6.397 10.137 1.00 0.00 O ATOM 1550 NE2 GLN A 101 -7.603 8.409 10.117 1.00 0.00 N ATOM 0 H GLN A 101 -3.239 6.243 8.701 1.00 0.00 H new ATOM 0 HA GLN A 101 -5.240 6.330 6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -5.044 6.533 9.366 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -5.329 8.199 8.905 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -7.305 7.414 7.498 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -7.054 5.795 8.119 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -6.990 9.093 9.674 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.126 8.660 10.956 1.00 0.00 H new ATOM 1559 N CYS A 102 -4.120 8.246 5.300 1.00 0.00 N ATOM 1560 CA CYS A 102 -3.814 9.508 4.577 1.00 0.00 C ATOM 1561 C CYS A 102 -4.725 10.651 5.040 1.00 0.00 C ATOM 1562 O CYS A 102 -4.250 11.709 5.400 1.00 0.00 O ATOM 1563 CB CYS A 102 -4.054 9.192 3.103 1.00 0.00 C ATOM 1564 SG CYS A 102 -2.508 9.417 2.191 1.00 0.00 S ATOM 0 H CYS A 102 -4.107 7.403 4.726 1.00 0.00 H new ATOM 0 HA CYS A 102 -2.793 9.839 4.766 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -4.411 8.168 2.991 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.827 9.845 2.699 1.00 0.00 H new