USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 86 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0.16) USER MOD Set 1.2: A 89 SER OG : rot -160:sc= 0 USER MOD Set 2.1: A 76 THR OG1 : rot -170:sc= 0.785 USER MOD Set 2.2: A 92 TYR OH : rot -149:sc= 0.887 USER MOD Single : A 29 ASN : amide:sc= 0.345 K(o=0.34,f=-4.2!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -146:sc= -0.0563 (180deg=-0.258) USER MOD Single : A 37 THR OG1 : rot 70:sc= 0.282 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc=-0.00739 K(o=-0.0074,f=-0.97) USER MOD Single : A 52 ASN : amide:sc= -0.0182 K(o=-0.018,f=-0.67) USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= -0.019 (180deg=-0.152) USER MOD Single : A 60 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.6!) USER MOD Single : A 61 SER OG : rot -4:sc= 0.0617 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc=-0.00555 (180deg=-0.0902) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 83 THR OG1 : rot -40:sc= 0.365 USER MOD Single : A 85 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.39) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 12:sc= 0.718 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -6.505 8.504 6.603 1.00 13.21 N ATOM 437 CA GLU A 28 -6.584 8.490 5.134 1.00 0.45 C ATOM 438 C GLU A 28 -5.440 9.326 4.527 1.00 13.35 C ATOM 439 O GLU A 28 -4.764 8.880 3.589 1.00 3.22 O ATOM 440 CB GLU A 28 -7.960 9.001 4.614 1.00 62.22 C ATOM 441 CG GLU A 28 -8.061 9.030 3.068 1.00 51.55 C ATOM 442 CD GLU A 28 -9.451 9.398 2.533 1.00 34.30 C ATOM 443 OE1 GLU A 28 -10.313 8.501 2.383 1.00 71.42 O ATOM 444 OE2 GLU A 28 -9.686 10.590 2.247 1.00 24.12 O ATOM 0 HA GLU A 28 -6.481 7.453 4.815 1.00 0.45 H new ATOM 0 HB2 GLU A 28 -8.750 8.363 5.010 1.00 62.22 H new ATOM 0 HB3 GLU A 28 -8.137 10.004 5.001 1.00 62.22 H new ATOM 0 HG2 GLU A 28 -7.335 9.745 2.681 1.00 51.55 H new ATOM 0 HG3 GLU A 28 -7.782 8.051 2.679 1.00 51.55 H new ATOM 451 N ASN A 29 -5.193 10.514 5.124 1.00 1.23 N ATOM 452 CA ASN A 29 -4.234 11.498 4.579 1.00 13.25 C ATOM 453 C ASN A 29 -2.786 10.986 4.709 1.00 1.14 C ATOM 454 O ASN A 29 -2.026 11.021 3.737 1.00 63.43 O ATOM 455 CB ASN A 29 -4.419 12.900 5.223 1.00 55.43 C ATOM 456 CG ASN A 29 -3.532 13.971 4.589 1.00 5.54 C ATOM 457 OD1 ASN A 29 -3.853 14.514 3.536 1.00 31.41 O ATOM 458 ND2 ASN A 29 -2.434 14.301 5.231 1.00 34.12 N ATOM 0 H ASN A 29 -5.647 10.814 5.987 1.00 1.23 H new ATOM 0 HA ASN A 29 -4.444 11.615 3.516 1.00 13.25 H new ATOM 0 HB2 ASN A 29 -5.463 13.200 5.132 1.00 55.43 H new ATOM 0 HB3 ASN A 29 -4.197 12.836 6.288 1.00 55.43 H new ATOM 0 HD21 ASN A 29 -1.822 15.026 4.856 1.00 34.12 H new ATOM 0 HD22 ASN A 29 -2.193 13.832 6.104 1.00 34.12 H new ATOM 465 N GLU A 30 -2.438 10.443 5.895 1.00 34.41 N ATOM 466 CA GLU A 30 -1.077 9.938 6.174 1.00 32.25 C ATOM 467 C GLU A 30 -0.801 8.631 5.404 1.00 12.02 C ATOM 468 O GLU A 30 0.312 8.427 4.924 1.00 43.10 O ATOM 469 CB GLU A 30 -0.858 9.728 7.690 1.00 1.05 C ATOM 470 CG GLU A 30 0.582 9.324 8.070 1.00 41.20 C ATOM 471 CD GLU A 30 0.769 9.101 9.578 1.00 71.45 C ATOM 472 OE1 GLU A 30 1.302 9.994 10.270 1.00 14.44 O ATOM 473 OE2 GLU A 30 0.360 8.034 10.077 1.00 2.25 O ATOM 0 H GLU A 30 -3.084 10.343 6.678 1.00 34.41 H new ATOM 0 HA GLU A 30 -0.371 10.694 5.830 1.00 32.25 H new ATOM 0 HB2 GLU A 30 -1.116 10.648 8.214 1.00 1.05 H new ATOM 0 HB3 GLU A 30 -1.545 8.958 8.042 1.00 1.05 H new ATOM 0 HG2 GLU A 30 0.849 8.411 7.538 1.00 41.20 H new ATOM 0 HG3 GLU A 30 1.271 10.100 7.736 1.00 41.20 H new ATOM 480 N LEU A 31 -1.830 7.764 5.285 1.00 24.32 N ATOM 481 CA LEU A 31 -1.736 6.509 4.454 1.00 30.05 C ATOM 482 C LEU A 31 -1.357 6.877 3.015 1.00 71.03 C ATOM 483 O LEU A 31 -0.368 6.385 2.475 1.00 2.50 O ATOM 484 CB LEU A 31 -3.075 5.670 4.408 1.00 1.34 C ATOM 485 CG LEU A 31 -3.159 4.460 3.342 1.00 33.53 C ATOM 486 CD1 LEU A 31 -2.661 3.093 3.872 1.00 25.21 C ATOM 487 CD2 LEU A 31 -4.582 4.281 2.729 1.00 63.43 C ATOM 0 H LEU A 31 -2.733 7.894 5.742 1.00 24.32 H new ATOM 0 HA LEU A 31 -0.978 5.889 4.931 1.00 30.05 H new ATOM 0 HB2 LEU A 31 -3.247 5.256 5.401 1.00 1.34 H new ATOM 0 HB3 LEU A 31 -3.896 6.357 4.203 1.00 1.34 H new ATOM 0 HG LEU A 31 -2.469 4.778 2.561 1.00 33.53 H new ATOM 0 HD11 LEU A 31 -2.755 2.342 3.087 1.00 25.21 H new ATOM 0 HD12 LEU A 31 -1.616 3.177 4.170 1.00 25.21 H new ATOM 0 HD13 LEU A 31 -3.261 2.796 4.732 1.00 25.21 H new ATOM 0 HD21 LEU A 31 -4.572 3.452 2.021 1.00 63.43 H new ATOM 0 HD22 LEU A 31 -5.297 4.070 3.524 1.00 63.43 H new ATOM 0 HD23 LEU A 31 -4.873 5.196 2.213 1.00 63.43 H new ATOM 499 N ARG A 32 -2.150 7.796 2.454 1.00 12.35 N ATOM 500 CA ARG A 32 -2.035 8.275 1.070 1.00 31.12 C ATOM 501 C ARG A 32 -0.705 9.039 0.848 1.00 52.25 C ATOM 502 O ARG A 32 -0.126 8.993 -0.241 1.00 52.40 O ATOM 503 CB ARG A 32 -3.280 9.151 0.787 1.00 43.12 C ATOM 504 CG ARG A 32 -3.358 9.861 -0.573 1.00 75.53 C ATOM 505 CD ARG A 32 -4.636 10.711 -0.702 1.00 13.10 C ATOM 506 NE ARG A 32 -4.748 11.714 0.375 1.00 61.52 N ATOM 507 CZ ARG A 32 -5.841 11.924 1.127 1.00 53.04 C ATOM 508 NH1 ARG A 32 -6.944 11.199 0.945 1.00 15.20 N ATOM 509 NH2 ARG A 32 -5.823 12.877 2.045 1.00 31.42 N ATOM 0 H ARG A 32 -2.913 8.241 2.965 1.00 12.35 H new ATOM 0 HA ARG A 32 -2.007 7.441 0.369 1.00 31.12 H new ATOM 0 HB2 ARG A 32 -4.164 8.521 0.888 1.00 43.12 H new ATOM 0 HB3 ARG A 32 -3.340 9.911 1.566 1.00 43.12 H new ATOM 0 HG2 ARG A 32 -2.483 10.498 -0.701 1.00 75.53 H new ATOM 0 HG3 ARG A 32 -3.332 9.120 -1.372 1.00 75.53 H new ATOM 0 HD2 ARG A 32 -4.639 11.216 -1.668 1.00 13.10 H new ATOM 0 HD3 ARG A 32 -5.509 10.058 -0.681 1.00 13.10 H new ATOM 0 HE ARG A 32 -3.930 12.294 0.563 1.00 61.52 H new ATOM 0 HH11 ARG A 32 -6.965 10.474 0.228 1.00 15.20 H new ATOM 0 HH12 ARG A 32 -7.767 11.369 1.523 1.00 15.20 H new ATOM 0 HH21 ARG A 32 -4.985 13.443 2.176 1.00 31.42 H new ATOM 0 HH22 ARG A 32 -6.647 13.045 2.622 1.00 31.42 H new ATOM 523 N SER A 33 -0.208 9.696 1.913 1.00 24.53 N ATOM 524 CA SER A 33 1.039 10.480 1.874 1.00 35.43 C ATOM 525 C SER A 33 2.286 9.566 1.926 1.00 13.10 C ATOM 526 O SER A 33 3.276 9.803 1.219 1.00 3.13 O ATOM 527 CB SER A 33 1.048 11.480 3.044 1.00 21.11 C ATOM 528 OG SER A 33 2.212 12.285 3.045 1.00 64.24 O ATOM 0 H SER A 33 -0.662 9.697 2.826 1.00 24.53 H new ATOM 0 HA SER A 33 1.079 11.024 0.930 1.00 35.43 H new ATOM 0 HB2 SER A 33 0.166 12.118 2.982 1.00 21.11 H new ATOM 0 HB3 SER A 33 0.983 10.936 3.986 1.00 21.11 H new ATOM 0 HG SER A 33 2.179 12.907 3.802 1.00 64.24 H new ATOM 534 N MET A 34 2.219 8.507 2.757 1.00 63.22 N ATOM 535 CA MET A 34 3.319 7.515 2.894 1.00 55.35 C ATOM 536 C MET A 34 3.309 6.551 1.690 1.00 62.31 C ATOM 537 O MET A 34 4.336 5.952 1.336 1.00 21.22 O ATOM 538 CB MET A 34 3.212 6.699 4.226 1.00 72.35 C ATOM 539 CG MET A 34 3.341 7.504 5.538 1.00 0.12 C ATOM 540 SD MET A 34 3.447 6.438 7.001 1.00 74.44 S ATOM 541 CE MET A 34 1.941 5.468 6.883 1.00 14.31 C ATOM 0 H MET A 34 1.412 8.311 3.349 1.00 63.22 H new ATOM 0 HA MET A 34 4.258 8.068 2.919 1.00 55.35 H new ATOM 0 HB2 MET A 34 2.251 6.184 4.235 1.00 72.35 H new ATOM 0 HB3 MET A 34 3.986 5.931 4.219 1.00 72.35 H new ATOM 0 HG2 MET A 34 4.228 8.135 5.487 1.00 0.12 H new ATOM 0 HG3 MET A 34 2.483 8.169 5.638 1.00 0.12 H new ATOM 0 HE1 MET A 34 1.565 5.256 7.884 1.00 14.31 H new ATOM 0 HE2 MET A 34 1.191 6.028 6.325 1.00 14.31 H new ATOM 0 HE3 MET A 34 2.152 4.530 6.369 1.00 14.31 H new ATOM 551 N LEU A 35 2.129 6.435 1.059 1.00 23.41 N ATOM 552 CA LEU A 35 1.940 5.614 -0.155 1.00 12.34 C ATOM 553 C LEU A 35 2.517 6.409 -1.349 1.00 10.12 C ATOM 554 O LEU A 35 3.116 5.826 -2.247 1.00 64.45 O ATOM 555 CB LEU A 35 0.413 5.248 -0.366 1.00 2.33 C ATOM 556 CG LEU A 35 0.029 3.925 -1.133 1.00 1.31 C ATOM 557 CD1 LEU A 35 -1.489 3.639 -0.998 1.00 11.32 C ATOM 558 CD2 LEU A 35 0.422 3.977 -2.618 1.00 3.42 C ATOM 0 H LEU A 35 1.280 6.905 1.372 1.00 23.41 H new ATOM 0 HA LEU A 35 2.464 4.663 -0.060 1.00 12.34 H new ATOM 0 HB2 LEU A 35 -0.050 5.200 0.620 1.00 2.33 H new ATOM 0 HB3 LEU A 35 -0.052 6.079 -0.896 1.00 2.33 H new ATOM 0 HG LEU A 35 0.593 3.115 -0.671 1.00 1.31 H new ATOM 0 HD11 LEU A 35 -1.736 2.722 -1.534 1.00 11.32 H new ATOM 0 HD12 LEU A 35 -1.745 3.524 0.055 1.00 11.32 H new ATOM 0 HD13 LEU A 35 -2.055 4.469 -1.421 1.00 11.32 H new ATOM 0 HD21 LEU A 35 0.137 3.043 -3.103 1.00 3.42 H new ATOM 0 HD22 LEU A 35 -0.091 4.808 -3.101 1.00 3.42 H new ATOM 0 HD23 LEU A 35 1.500 4.116 -2.705 1.00 3.42 H new ATOM 570 N ALA A 36 2.351 7.756 -1.313 1.00 22.21 N ATOM 571 CA ALA A 36 2.984 8.677 -2.278 1.00 63.03 C ATOM 572 C ALA A 36 4.512 8.530 -2.255 1.00 14.13 C ATOM 573 O ALA A 36 5.155 8.468 -3.305 1.00 22.45 O ATOM 574 CB ALA A 36 2.598 10.129 -1.980 1.00 23.34 C ATOM 0 H ALA A 36 1.776 8.228 -0.615 1.00 22.21 H new ATOM 0 HA ALA A 36 2.622 8.414 -3.272 1.00 63.03 H new ATOM 0 HB1 ALA A 36 3.076 10.789 -2.704 1.00 23.34 H new ATOM 0 HB2 ALA A 36 1.516 10.239 -2.048 1.00 23.34 H new ATOM 0 HB3 ALA A 36 2.927 10.394 -0.975 1.00 23.34 H new ATOM 580 N THR A 37 5.061 8.455 -1.029 1.00 43.35 N ATOM 581 CA THR A 37 6.487 8.208 -0.797 1.00 40.24 C ATOM 582 C THR A 37 6.902 6.865 -1.431 1.00 32.32 C ATOM 583 O THR A 37 7.894 6.779 -2.161 1.00 34.43 O ATOM 584 CB THR A 37 6.778 8.180 0.744 1.00 31.54 C ATOM 585 OG1 THR A 37 6.203 9.339 1.377 1.00 54.13 O ATOM 586 CG2 THR A 37 8.282 8.118 1.057 1.00 41.13 C ATOM 0 H THR A 37 4.521 8.565 -0.170 1.00 43.35 H new ATOM 0 HA THR A 37 7.064 9.010 -1.257 1.00 40.24 H new ATOM 0 HB THR A 37 6.321 7.272 1.138 1.00 31.54 H new ATOM 0 HG1 THR A 37 5.226 9.265 1.370 1.00 54.13 H new ATOM 0 HG21 THR A 37 8.428 8.101 2.137 1.00 41.13 H new ATOM 0 HG22 THR A 37 8.708 7.216 0.618 1.00 41.13 H new ATOM 0 HG23 THR A 37 8.777 8.994 0.638 1.00 41.13 H new ATOM 594 N ALA A 38 6.073 5.838 -1.173 1.00 50.22 N ATOM 595 CA ALA A 38 6.300 4.468 -1.656 1.00 44.10 C ATOM 596 C ALA A 38 6.203 4.359 -3.199 1.00 14.34 C ATOM 597 O ALA A 38 6.828 3.476 -3.790 1.00 51.25 O ATOM 598 CB ALA A 38 5.324 3.518 -0.959 1.00 1.42 C ATOM 0 H ALA A 38 5.222 5.938 -0.620 1.00 50.22 H new ATOM 0 HA ALA A 38 7.321 4.181 -1.403 1.00 44.10 H new ATOM 0 HB1 ALA A 38 5.489 2.501 -1.315 1.00 1.42 H new ATOM 0 HB2 ALA A 38 5.486 3.556 0.118 1.00 1.42 H new ATOM 0 HB3 ALA A 38 4.301 3.819 -1.183 1.00 1.42 H new ATOM 604 N LEU A 39 5.435 5.273 -3.846 1.00 72.34 N ATOM 605 CA LEU A 39 5.383 5.367 -5.332 1.00 23.35 C ATOM 606 C LEU A 39 6.712 5.950 -5.873 1.00 70.11 C ATOM 607 O LEU A 39 7.164 5.592 -6.967 1.00 0.43 O ATOM 608 CB LEU A 39 4.200 6.272 -5.834 1.00 11.15 C ATOM 609 CG LEU A 39 2.722 5.890 -5.458 1.00 50.15 C ATOM 610 CD1 LEU A 39 1.749 7.043 -5.787 1.00 74.21 C ATOM 611 CD2 LEU A 39 2.259 4.584 -6.146 1.00 33.02 C ATOM 0 H LEU A 39 4.845 5.953 -3.366 1.00 72.34 H new ATOM 0 HA LEU A 39 5.223 4.356 -5.706 1.00 23.35 H new ATOM 0 HB2 LEU A 39 4.381 7.281 -5.464 1.00 11.15 H new ATOM 0 HB3 LEU A 39 4.260 6.315 -6.921 1.00 11.15 H new ATOM 0 HG LEU A 39 2.709 5.716 -4.382 1.00 50.15 H new ATOM 0 HD11 LEU A 39 0.734 6.751 -5.517 1.00 74.21 H new ATOM 0 HD12 LEU A 39 2.033 7.931 -5.223 1.00 74.21 H new ATOM 0 HD13 LEU A 39 1.792 7.262 -6.854 1.00 74.21 H new ATOM 0 HD21 LEU A 39 1.232 4.363 -5.854 1.00 33.02 H new ATOM 0 HD22 LEU A 39 2.311 4.705 -7.228 1.00 33.02 H new ATOM 0 HD23 LEU A 39 2.907 3.763 -5.841 1.00 33.02 H new ATOM 623 N GLU A 40 7.304 6.877 -5.091 1.00 12.11 N ATOM 624 CA GLU A 40 8.586 7.544 -5.431 1.00 15.22 C ATOM 625 C GLU A 40 9.782 6.626 -5.172 1.00 14.00 C ATOM 626 O GLU A 40 10.854 6.827 -5.746 1.00 32.44 O ATOM 627 CB GLU A 40 8.747 8.858 -4.633 1.00 20.12 C ATOM 628 CG GLU A 40 7.652 9.893 -4.917 1.00 44.00 C ATOM 629 CD GLU A 40 7.872 11.204 -4.161 1.00 73.11 C ATOM 630 OE1 GLU A 40 8.854 11.916 -4.470 1.00 22.53 O ATOM 631 OE2 GLU A 40 7.073 11.535 -3.265 1.00 35.24 O ATOM 0 H GLU A 40 6.908 7.187 -4.203 1.00 12.11 H new ATOM 0 HA GLU A 40 8.560 7.776 -6.496 1.00 15.22 H new ATOM 0 HB2 GLU A 40 8.748 8.627 -3.568 1.00 20.12 H new ATOM 0 HB3 GLU A 40 9.717 9.297 -4.865 1.00 20.12 H new ATOM 0 HG2 GLU A 40 7.618 10.096 -5.987 1.00 44.00 H new ATOM 0 HG3 GLU A 40 6.683 9.477 -4.641 1.00 44.00 H new ATOM 638 N LYS A 41 9.587 5.644 -4.287 1.00 61.31 N ATOM 639 CA LYS A 41 10.576 4.588 -4.027 1.00 20.25 C ATOM 640 C LYS A 41 10.550 3.548 -5.162 1.00 24.32 C ATOM 641 O LYS A 41 9.468 3.198 -5.648 1.00 21.52 O ATOM 642 CB LYS A 41 10.277 3.919 -2.664 1.00 2.21 C ATOM 643 CG LYS A 41 10.389 4.859 -1.452 1.00 11.34 C ATOM 644 CD LYS A 41 11.835 5.464 -1.301 1.00 63.35 C ATOM 645 CE LYS A 41 12.044 6.561 -0.208 1.00 32.25 C ATOM 646 NZ LYS A 41 13.465 6.982 -0.197 1.00 5.00 N ATOM 0 H LYS A 41 8.738 5.557 -3.728 1.00 61.31 H new ATOM 0 HA LYS A 41 11.573 5.028 -3.989 1.00 20.25 H new ATOM 0 HB2 LYS A 41 9.270 3.502 -2.692 1.00 2.21 H new ATOM 0 HB3 LYS A 41 10.964 3.085 -2.525 1.00 2.21 H new ATOM 0 HG2 LYS A 41 9.667 5.669 -1.554 1.00 11.34 H new ATOM 0 HG3 LYS A 41 10.129 4.313 -0.545 1.00 11.34 H new ATOM 0 HD2 LYS A 41 12.523 4.645 -1.092 1.00 63.35 H new ATOM 0 HD3 LYS A 41 12.126 5.887 -2.263 1.00 63.35 H new ATOM 0 HE2 LYS A 41 11.401 7.418 -0.410 1.00 32.25 H new ATOM 0 HE3 LYS A 41 11.761 6.173 0.771 1.00 32.25 H new ATOM 0 HZ1 LYS A 41 13.605 7.712 0.530 1.00 5.00 H new ATOM 0 HZ2 LYS A 41 14.068 6.162 0.015 1.00 5.00 H new ATOM 0 HZ3 LYS A 41 13.720 7.368 -1.129 1.00 5.00 H new ATOM 660 N ASP A 42 11.745 3.074 -5.586 1.00 34.04 N ATOM 661 CA ASP A 42 11.879 2.043 -6.634 1.00 32.24 C ATOM 662 C ASP A 42 11.355 0.706 -6.094 1.00 53.12 C ATOM 663 O ASP A 42 11.994 0.064 -5.246 1.00 73.23 O ATOM 664 CB ASP A 42 13.348 1.892 -7.119 1.00 5.35 C ATOM 665 CG ASP A 42 13.855 3.127 -7.893 1.00 3.45 C ATOM 666 OD1 ASP A 42 13.442 3.329 -9.062 1.00 44.43 O ATOM 667 OD2 ASP A 42 14.667 3.905 -7.344 1.00 71.02 O ATOM 0 H ASP A 42 12.637 3.396 -5.211 1.00 34.04 H new ATOM 0 HA ASP A 42 11.289 2.354 -7.496 1.00 32.24 H new ATOM 0 HB2 ASP A 42 13.994 1.719 -6.258 1.00 5.35 H new ATOM 0 HB3 ASP A 42 13.426 1.012 -7.758 1.00 5.35 H new ATOM 672 N ILE A 43 10.189 0.303 -6.589 1.00 43.04 N ATOM 673 CA ILE A 43 9.440 -0.856 -6.087 1.00 2.11 C ATOM 674 C ILE A 43 9.331 -1.925 -7.186 1.00 14.31 C ATOM 675 O ILE A 43 9.188 -1.592 -8.371 1.00 34.12 O ATOM 676 CB ILE A 43 8.027 -0.404 -5.552 1.00 75.55 C ATOM 677 CG1 ILE A 43 7.287 0.504 -6.591 1.00 2.32 C ATOM 678 CG2 ILE A 43 8.183 0.315 -4.198 1.00 22.43 C ATOM 679 CD1 ILE A 43 5.999 1.142 -6.099 1.00 33.24 C ATOM 0 H ILE A 43 9.726 0.777 -7.364 1.00 43.04 H new ATOM 0 HA ILE A 43 9.974 -1.301 -5.248 1.00 2.11 H new ATOM 0 HB ILE A 43 7.413 -1.293 -5.407 1.00 75.55 H new ATOM 0 HG12 ILE A 43 7.967 1.295 -6.906 1.00 2.32 H new ATOM 0 HG13 ILE A 43 7.062 -0.093 -7.475 1.00 2.32 H new ATOM 0 HG21 ILE A 43 7.203 0.624 -3.835 1.00 22.43 H new ATOM 0 HG22 ILE A 43 8.640 -0.363 -3.477 1.00 22.43 H new ATOM 0 HG23 ILE A 43 8.817 1.193 -4.323 1.00 22.43 H new ATOM 0 HD11 ILE A 43 5.567 1.749 -6.894 1.00 33.24 H new ATOM 0 HD12 ILE A 43 5.293 0.362 -5.813 1.00 33.24 H new ATOM 0 HD13 ILE A 43 6.212 1.773 -5.236 1.00 33.24 H new ATOM 691 N SER A 44 9.435 -3.211 -6.771 1.00 31.32 N ATOM 692 CA SER A 44 9.422 -4.393 -7.673 1.00 64.24 C ATOM 693 C SER A 44 8.100 -4.404 -8.484 1.00 44.53 C ATOM 694 O SER A 44 7.096 -3.907 -7.976 1.00 71.11 O ATOM 695 CB SER A 44 9.582 -5.690 -6.817 1.00 32.51 C ATOM 696 OG SER A 44 10.623 -5.563 -5.857 1.00 74.02 O ATOM 0 H SER A 44 9.532 -3.462 -5.787 1.00 31.32 H new ATOM 0 HA SER A 44 10.251 -4.346 -8.379 1.00 64.24 H new ATOM 0 HB2 SER A 44 8.643 -5.908 -6.308 1.00 32.51 H new ATOM 0 HB3 SER A 44 9.793 -6.535 -7.473 1.00 32.51 H new ATOM 0 HG SER A 44 10.693 -6.392 -5.339 1.00 74.02 H new ATOM 702 N GLN A 45 8.110 -4.934 -9.731 1.00 43.24 N ATOM 703 CA GLN A 45 6.974 -4.813 -10.685 1.00 24.34 C ATOM 704 C GLN A 45 5.579 -5.142 -10.065 1.00 64.13 C ATOM 705 O GLN A 45 4.607 -4.432 -10.336 1.00 5.51 O ATOM 706 CB GLN A 45 7.249 -5.666 -11.959 1.00 42.53 C ATOM 707 CG GLN A 45 6.191 -5.521 -13.075 1.00 60.41 C ATOM 708 CD GLN A 45 6.604 -6.153 -14.406 1.00 23.33 C ATOM 709 OE1 GLN A 45 6.338 -7.329 -14.672 1.00 60.41 O ATOM 710 NE2 GLN A 45 7.272 -5.374 -15.247 1.00 54.40 N ATOM 0 H GLN A 45 8.902 -5.456 -10.106 1.00 43.24 H new ATOM 0 HA GLN A 45 6.916 -3.760 -10.961 1.00 24.34 H new ATOM 0 HB2 GLN A 45 8.223 -5.388 -12.362 1.00 42.53 H new ATOM 0 HB3 GLN A 45 7.311 -6.715 -11.670 1.00 42.53 H new ATOM 0 HG2 GLN A 45 5.259 -5.978 -12.741 1.00 60.41 H new ATOM 0 HG3 GLN A 45 5.988 -4.462 -13.234 1.00 60.41 H new ATOM 0 HE21 GLN A 45 7.475 -4.407 -14.995 1.00 54.40 H new ATOM 0 HE22 GLN A 45 7.583 -5.742 -16.146 1.00 54.40 H new ATOM 719 N GLU A 46 5.513 -6.166 -9.177 1.00 22.33 N ATOM 720 CA GLU A 46 4.249 -6.591 -8.517 1.00 22.21 C ATOM 721 C GLU A 46 3.823 -5.573 -7.432 1.00 74.15 C ATOM 722 O GLU A 46 2.640 -5.333 -7.217 1.00 61.02 O ATOM 723 CB GLU A 46 4.389 -8.005 -7.875 1.00 60.33 C ATOM 724 CG GLU A 46 4.655 -9.169 -8.861 1.00 70.43 C ATOM 725 CD GLU A 46 6.094 -9.212 -9.416 1.00 52.42 C ATOM 726 OE1 GLU A 46 6.982 -9.759 -8.735 1.00 24.22 O ATOM 727 OE2 GLU A 46 6.346 -8.706 -10.530 1.00 11.20 O ATOM 0 H GLU A 46 6.325 -6.717 -8.899 1.00 22.33 H new ATOM 0 HA GLU A 46 3.482 -6.633 -9.290 1.00 22.21 H new ATOM 0 HB2 GLU A 46 5.202 -7.975 -7.150 1.00 60.33 H new ATOM 0 HB3 GLU A 46 3.476 -8.224 -7.321 1.00 60.33 H new ATOM 0 HG2 GLU A 46 4.444 -10.112 -8.357 1.00 70.43 H new ATOM 0 HG3 GLU A 46 3.958 -9.090 -9.695 1.00 70.43 H new ATOM 734 N GLU A 47 4.821 -4.961 -6.788 1.00 32.22 N ATOM 735 CA GLU A 47 4.631 -4.030 -5.650 1.00 31.22 C ATOM 736 C GLU A 47 4.112 -2.695 -6.224 1.00 24.33 C ATOM 737 O GLU A 47 3.180 -2.075 -5.687 1.00 74.32 O ATOM 738 CB GLU A 47 5.998 -3.856 -4.871 1.00 13.13 C ATOM 739 CG GLU A 47 5.907 -3.610 -3.345 1.00 34.13 C ATOM 740 CD GLU A 47 5.088 -2.374 -2.942 1.00 2.51 C ATOM 741 OE1 GLU A 47 3.891 -2.511 -2.609 1.00 60.41 O ATOM 742 OE2 GLU A 47 5.647 -1.271 -2.944 1.00 71.30 O ATOM 0 H GLU A 47 5.801 -5.094 -7.039 1.00 32.22 H new ATOM 0 HA GLU A 47 3.905 -4.414 -4.933 1.00 31.22 H new ATOM 0 HB2 GLU A 47 6.599 -4.751 -5.035 1.00 13.13 H new ATOM 0 HB3 GLU A 47 6.539 -3.022 -5.318 1.00 13.13 H new ATOM 0 HG2 GLU A 47 5.468 -4.490 -2.874 1.00 34.13 H new ATOM 0 HG3 GLU A 47 6.916 -3.506 -2.947 1.00 34.13 H new ATOM 749 N ARG A 48 4.697 -2.319 -7.379 1.00 64.14 N ATOM 750 CA ARG A 48 4.243 -1.194 -8.187 1.00 13.33 C ATOM 751 C ARG A 48 2.798 -1.418 -8.642 1.00 33.34 C ATOM 752 O ARG A 48 1.983 -0.508 -8.569 1.00 14.32 O ATOM 753 CB ARG A 48 5.170 -0.976 -9.405 1.00 22.14 C ATOM 754 CG ARG A 48 4.839 0.304 -10.190 1.00 23.31 C ATOM 755 CD ARG A 48 5.705 0.510 -11.440 1.00 63.51 C ATOM 756 NE ARG A 48 5.246 1.655 -12.243 1.00 61.11 N ATOM 757 CZ ARG A 48 4.474 1.572 -13.338 1.00 65.13 C ATOM 758 NH1 ARG A 48 4.065 0.391 -13.789 1.00 1.12 N ATOM 759 NH2 ARG A 48 4.111 2.674 -13.969 1.00 53.10 N ATOM 0 H ARG A 48 5.506 -2.800 -7.772 1.00 64.14 H new ATOM 0 HA ARG A 48 4.281 -0.294 -7.573 1.00 13.33 H new ATOM 0 HB2 ARG A 48 6.204 -0.929 -9.064 1.00 22.14 H new ATOM 0 HB3 ARG A 48 5.093 -1.835 -10.072 1.00 22.14 H new ATOM 0 HG2 ARG A 48 3.791 0.275 -10.487 1.00 23.31 H new ATOM 0 HG3 ARG A 48 4.960 1.164 -9.531 1.00 23.31 H new ATOM 0 HD2 ARG A 48 6.741 0.668 -11.142 1.00 63.51 H new ATOM 0 HD3 ARG A 48 5.683 -0.393 -12.050 1.00 63.51 H new ATOM 0 HE ARG A 48 5.538 2.585 -11.944 1.00 61.11 H new ATOM 0 HH11 ARG A 48 4.337 -0.463 -13.302 1.00 1.12 H new ATOM 0 HH12 ARG A 48 3.479 0.338 -14.622 1.00 1.12 H new ATOM 0 HH21 ARG A 48 4.417 3.584 -13.624 1.00 53.10 H new ATOM 0 HH22 ARG A 48 3.524 2.615 -14.801 1.00 53.10 H new ATOM 773 N ASN A 49 2.495 -2.658 -9.083 1.00 53.53 N ATOM 774 CA ASN A 49 1.129 -3.037 -9.490 1.00 51.34 C ATOM 775 C ASN A 49 0.131 -2.838 -8.331 1.00 41.31 C ATOM 776 O ASN A 49 -0.937 -2.276 -8.532 1.00 72.53 O ATOM 777 CB ASN A 49 1.055 -4.498 -10.031 1.00 33.10 C ATOM 778 CG ASN A 49 1.731 -4.697 -11.392 1.00 23.45 C ATOM 779 OD1 ASN A 49 1.963 -3.747 -12.143 1.00 14.12 O ATOM 780 ND2 ASN A 49 1.995 -5.951 -11.742 1.00 45.24 N ATOM 0 H ASN A 49 3.178 -3.411 -9.165 1.00 53.53 H new ATOM 0 HA ASN A 49 0.850 -2.374 -10.309 1.00 51.34 H new ATOM 0 HB2 ASN A 49 1.519 -5.166 -9.306 1.00 33.10 H new ATOM 0 HB3 ASN A 49 0.008 -4.792 -10.111 1.00 33.10 H new ATOM 0 HD21 ASN A 49 2.402 -6.151 -12.656 1.00 45.24 H new ATOM 0 HD22 ASN A 49 1.791 -6.714 -11.097 1.00 45.24 H new ATOM 787 N ALA A 50 0.531 -3.246 -7.112 1.00 51.43 N ATOM 788 CA ALA A 50 -0.318 -3.152 -5.914 1.00 21.00 C ATOM 789 C ALA A 50 -0.658 -1.686 -5.572 1.00 34.42 C ATOM 790 O ALA A 50 -1.826 -1.355 -5.310 1.00 13.31 O ATOM 791 CB ALA A 50 0.372 -3.855 -4.732 1.00 31.53 C ATOM 0 H ALA A 50 1.451 -3.649 -6.932 1.00 51.43 H new ATOM 0 HA ALA A 50 -1.263 -3.655 -6.120 1.00 21.00 H new ATOM 0 HB1 ALA A 50 -0.260 -3.783 -3.847 1.00 31.53 H new ATOM 0 HB2 ALA A 50 0.535 -4.904 -4.978 1.00 31.53 H new ATOM 0 HB3 ALA A 50 1.331 -3.376 -4.533 1.00 31.53 H new ATOM 797 N LEU A 51 0.359 -0.801 -5.614 1.00 21.50 N ATOM 798 CA LEU A 51 0.181 0.628 -5.259 1.00 55.32 C ATOM 799 C LEU A 51 -0.471 1.444 -6.416 1.00 22.33 C ATOM 800 O LEU A 51 -1.150 2.464 -6.168 1.00 15.34 O ATOM 801 CB LEU A 51 1.530 1.273 -4.804 1.00 40.13 C ATOM 802 CG LEU A 51 2.345 0.578 -3.643 1.00 33.23 C ATOM 803 CD1 LEU A 51 3.596 1.398 -3.262 1.00 12.44 C ATOM 804 CD2 LEU A 51 1.509 0.311 -2.371 1.00 32.02 C ATOM 0 H LEU A 51 1.310 -1.047 -5.889 1.00 21.50 H new ATOM 0 HA LEU A 51 -0.509 0.661 -4.416 1.00 55.32 H new ATOM 0 HB2 LEU A 51 2.180 1.331 -5.677 1.00 40.13 H new ATOM 0 HB3 LEU A 51 1.320 2.297 -4.494 1.00 40.13 H new ATOM 0 HG LEU A 51 2.643 -0.389 -4.049 1.00 33.23 H new ATOM 0 HD11 LEU A 51 4.133 0.891 -2.460 1.00 12.44 H new ATOM 0 HD12 LEU A 51 4.247 1.494 -4.131 1.00 12.44 H new ATOM 0 HD13 LEU A 51 3.293 2.389 -2.925 1.00 12.44 H new ATOM 0 HD21 LEU A 51 2.135 -0.168 -1.618 1.00 32.02 H new ATOM 0 HD22 LEU A 51 1.129 1.255 -1.980 1.00 32.02 H new ATOM 0 HD23 LEU A 51 0.672 -0.343 -2.616 1.00 32.02 H new ATOM 816 N ASN A 52 -0.298 0.994 -7.677 1.00 54.42 N ATOM 817 CA ASN A 52 -0.990 1.615 -8.836 1.00 25.51 C ATOM 818 C ASN A 52 -2.490 1.260 -8.806 1.00 3.03 C ATOM 819 O ASN A 52 -3.356 2.128 -9.009 1.00 63.13 O ATOM 820 CB ASN A 52 -0.370 1.222 -10.208 1.00 52.34 C ATOM 821 CG ASN A 52 0.973 1.907 -10.499 1.00 45.43 C ATOM 822 OD1 ASN A 52 1.820 2.041 -9.616 1.00 34.34 O ATOM 823 ND2 ASN A 52 1.150 2.412 -11.720 1.00 13.05 N ATOM 0 H ASN A 52 0.308 0.211 -7.921 1.00 54.42 H new ATOM 0 HA ASN A 52 -0.860 2.693 -8.738 1.00 25.51 H new ATOM 0 HB2 ASN A 52 -0.230 0.141 -10.237 1.00 52.34 H new ATOM 0 HB3 ASN A 52 -1.075 1.474 -11.000 1.00 52.34 H new ATOM 0 HD21 ASN A 52 2.004 2.924 -11.941 1.00 13.05 H new ATOM 0 HD22 ASN A 52 0.432 2.286 -12.433 1.00 13.05 H new ATOM 830 N ILE A 53 -2.782 -0.024 -8.504 1.00 45.14 N ATOM 831 CA ILE A 53 -4.163 -0.528 -8.343 1.00 60.11 C ATOM 832 C ILE A 53 -4.805 0.123 -7.101 1.00 21.12 C ATOM 833 O ILE A 53 -6.026 0.314 -7.050 1.00 11.12 O ATOM 834 CB ILE A 53 -4.217 -2.114 -8.270 1.00 10.25 C ATOM 835 CG1 ILE A 53 -3.783 -2.747 -9.637 1.00 72.00 C ATOM 836 CG2 ILE A 53 -5.614 -2.640 -7.845 1.00 50.53 C ATOM 837 CD1 ILE A 53 -3.596 -4.255 -9.612 1.00 2.30 C ATOM 0 H ILE A 53 -2.068 -0.739 -8.365 1.00 45.14 H new ATOM 0 HA ILE A 53 -4.738 -0.248 -9.226 1.00 60.11 H new ATOM 0 HB ILE A 53 -3.511 -2.420 -7.498 1.00 10.25 H new ATOM 0 HG12 ILE A 53 -4.532 -2.501 -10.389 1.00 72.00 H new ATOM 0 HG13 ILE A 53 -2.848 -2.285 -9.955 1.00 72.00 H new ATOM 0 HG21 ILE A 53 -5.598 -3.729 -7.810 1.00 50.53 H new ATOM 0 HG22 ILE A 53 -5.865 -2.249 -6.859 1.00 50.53 H new ATOM 0 HG23 ILE A 53 -6.362 -2.311 -8.567 1.00 50.53 H new ATOM 0 HD11 ILE A 53 -3.296 -4.601 -10.601 1.00 2.30 H new ATOM 0 HD12 ILE A 53 -2.824 -4.514 -8.888 1.00 2.30 H new ATOM 0 HD13 ILE A 53 -4.534 -4.733 -9.329 1.00 2.30 H new ATOM 849 N ALA A 54 -3.955 0.507 -6.118 1.00 60.11 N ATOM 850 CA ALA A 54 -4.384 1.338 -4.989 1.00 21.34 C ATOM 851 C ALA A 54 -4.924 2.689 -5.499 1.00 65.31 C ATOM 852 O ALA A 54 -6.075 3.006 -5.221 1.00 72.41 O ATOM 853 CB ALA A 54 -3.258 1.524 -3.956 1.00 25.44 C ATOM 0 H ALA A 54 -2.968 0.249 -6.093 1.00 60.11 H new ATOM 0 HA ALA A 54 -5.193 0.821 -4.473 1.00 21.34 H new ATOM 0 HB1 ALA A 54 -3.616 2.146 -3.135 1.00 25.44 H new ATOM 0 HB2 ALA A 54 -2.955 0.551 -3.569 1.00 25.44 H new ATOM 0 HB3 ALA A 54 -2.404 2.007 -4.431 1.00 25.44 H new ATOM 859 N GLU A 55 -4.126 3.429 -6.329 1.00 4.11 N ATOM 860 CA GLU A 55 -4.564 4.772 -6.853 1.00 60.55 C ATOM 861 C GLU A 55 -5.915 4.684 -7.601 1.00 33.33 C ATOM 862 O GLU A 55 -6.868 5.418 -7.267 1.00 1.25 O ATOM 863 CB GLU A 55 -3.525 5.483 -7.805 1.00 34.44 C ATOM 864 CG GLU A 55 -2.426 6.347 -7.148 1.00 33.04 C ATOM 865 CD GLU A 55 -2.986 7.328 -6.103 1.00 23.52 C ATOM 866 OE1 GLU A 55 -3.634 8.327 -6.501 1.00 5.42 O ATOM 867 OE2 GLU A 55 -2.775 7.115 -4.894 1.00 24.55 O ATOM 0 H GLU A 55 -3.202 3.133 -6.645 1.00 4.11 H new ATOM 0 HA GLU A 55 -4.656 5.379 -5.952 1.00 60.55 H new ATOM 0 HB2 GLU A 55 -3.035 4.713 -8.402 1.00 34.44 H new ATOM 0 HB3 GLU A 55 -4.081 6.116 -8.496 1.00 34.44 H new ATOM 0 HG2 GLU A 55 -1.693 5.695 -6.672 1.00 33.04 H new ATOM 0 HG3 GLU A 55 -1.900 6.907 -7.921 1.00 33.04 H new ATOM 874 N LYS A 56 -5.990 3.775 -8.600 1.00 74.52 N ATOM 875 CA LYS A 56 -7.187 3.645 -9.461 1.00 14.43 C ATOM 876 C LYS A 56 -8.449 3.311 -8.627 1.00 54.42 C ATOM 877 O LYS A 56 -9.565 3.739 -8.956 1.00 22.22 O ATOM 878 CB LYS A 56 -6.973 2.599 -10.589 1.00 32.42 C ATOM 879 CG LYS A 56 -6.935 1.122 -10.137 1.00 43.42 C ATOM 880 CD LYS A 56 -6.785 0.135 -11.309 1.00 31.21 C ATOM 881 CE LYS A 56 -8.003 0.123 -12.243 1.00 45.53 C ATOM 882 NZ LYS A 56 -9.254 -0.262 -11.529 1.00 70.31 N ATOM 0 H LYS A 56 -5.239 3.124 -8.829 1.00 74.52 H new ATOM 0 HA LYS A 56 -7.346 4.613 -9.937 1.00 14.43 H new ATOM 0 HB2 LYS A 56 -7.771 2.715 -11.322 1.00 32.42 H new ATOM 0 HB3 LYS A 56 -6.037 2.828 -11.098 1.00 32.42 H new ATOM 0 HG2 LYS A 56 -6.106 0.982 -9.443 1.00 43.42 H new ATOM 0 HG3 LYS A 56 -7.850 0.892 -9.591 1.00 43.42 H new ATOM 0 HD2 LYS A 56 -5.896 0.395 -11.884 1.00 31.21 H new ATOM 0 HD3 LYS A 56 -6.627 -0.868 -10.914 1.00 31.21 H new ATOM 0 HE2 LYS A 56 -8.129 1.111 -12.687 1.00 45.53 H new ATOM 0 HE3 LYS A 56 -7.824 -0.574 -13.062 1.00 45.53 H new ATOM 0 HZ1 LYS A 56 -10.009 -0.439 -12.222 1.00 70.31 H new ATOM 0 HZ2 LYS A 56 -9.085 -1.125 -10.973 1.00 70.31 H new ATOM 0 HZ3 LYS A 56 -9.542 0.509 -10.893 1.00 70.31 H new ATOM 896 N ALA A 57 -8.235 2.594 -7.504 1.00 12.33 N ATOM 897 CA ALA A 57 -9.305 2.176 -6.603 1.00 2.14 C ATOM 898 C ALA A 57 -9.728 3.310 -5.649 1.00 63.43 C ATOM 899 O ALA A 57 -10.917 3.447 -5.366 1.00 13.23 O ATOM 900 CB ALA A 57 -8.867 0.937 -5.827 1.00 61.13 C ATOM 0 H ALA A 57 -7.308 2.293 -7.204 1.00 12.33 H new ATOM 0 HA ALA A 57 -10.181 1.929 -7.203 1.00 2.14 H new ATOM 0 HB1 ALA A 57 -9.667 0.627 -5.155 1.00 61.13 H new ATOM 0 HB2 ALA A 57 -8.646 0.130 -6.525 1.00 61.13 H new ATOM 0 HB3 ALA A 57 -7.974 1.168 -5.246 1.00 61.13 H new ATOM 906 N LEU A 58 -8.756 4.134 -5.150 1.00 14.44 N ATOM 907 CA LEU A 58 -9.072 5.284 -4.249 1.00 72.43 C ATOM 908 C LEU A 58 -9.951 6.300 -5.018 1.00 73.31 C ATOM 909 O LEU A 58 -10.894 6.876 -4.461 1.00 14.31 O ATOM 910 CB LEU A 58 -7.791 6.046 -3.698 1.00 64.14 C ATOM 911 CG LEU A 58 -6.531 5.225 -3.100 1.00 44.25 C ATOM 912 CD1 LEU A 58 -5.415 6.118 -2.457 1.00 54.51 C ATOM 913 CD2 LEU A 58 -6.892 4.077 -2.108 1.00 63.23 C ATOM 0 H LEU A 58 -7.763 4.024 -5.354 1.00 14.44 H new ATOM 0 HA LEU A 58 -9.588 4.864 -3.386 1.00 72.43 H new ATOM 0 HB2 LEU A 58 -7.413 6.665 -4.511 1.00 64.14 H new ATOM 0 HB3 LEU A 58 -8.133 6.722 -2.915 1.00 64.14 H new ATOM 0 HG LEU A 58 -6.132 4.769 -4.006 1.00 44.25 H new ATOM 0 HD11 LEU A 58 -4.611 5.483 -2.083 1.00 54.51 H new ATOM 0 HD12 LEU A 58 -5.018 6.801 -3.208 1.00 54.51 H new ATOM 0 HD13 LEU A 58 -5.838 6.691 -1.632 1.00 54.51 H new ATOM 0 HD21 LEU A 58 -5.978 3.591 -1.766 1.00 63.23 H new ATOM 0 HD22 LEU A 58 -7.425 4.490 -1.252 1.00 63.23 H new ATOM 0 HD23 LEU A 58 -7.525 3.347 -2.612 1.00 63.23 H new ATOM 925 N ASP A 59 -9.625 6.475 -6.309 1.00 41.41 N ATOM 926 CA ASP A 59 -10.342 7.388 -7.224 1.00 65.34 C ATOM 927 C ASP A 59 -11.802 6.938 -7.440 1.00 33.54 C ATOM 928 O ASP A 59 -12.723 7.754 -7.416 1.00 64.44 O ATOM 929 CB ASP A 59 -9.605 7.463 -8.581 1.00 55.31 C ATOM 930 CG ASP A 59 -10.281 8.407 -9.597 1.00 24.04 C ATOM 931 OD1 ASP A 59 -10.077 9.638 -9.507 1.00 23.45 O ATOM 932 OD2 ASP A 59 -11.004 7.929 -10.493 1.00 64.21 O ATOM 0 H ASP A 59 -8.850 5.984 -6.754 1.00 41.41 H new ATOM 0 HA ASP A 59 -10.360 8.377 -6.766 1.00 65.34 H new ATOM 0 HB2 ASP A 59 -8.581 7.797 -8.412 1.00 55.31 H new ATOM 0 HB3 ASP A 59 -9.547 6.463 -9.010 1.00 55.31 H new ATOM 937 N ASN A 60 -11.998 5.630 -7.666 1.00 0.34 N ATOM 938 CA ASN A 60 -13.345 5.041 -7.811 1.00 54.11 C ATOM 939 C ASN A 60 -13.990 4.786 -6.430 1.00 71.41 C ATOM 940 O ASN A 60 -15.182 4.479 -6.357 1.00 53.25 O ATOM 941 CB ASN A 60 -13.295 3.737 -8.663 1.00 72.22 C ATOM 942 CG ASN A 60 -12.965 3.986 -10.139 1.00 0.21 C ATOM 943 OD1 ASN A 60 -12.236 4.916 -10.483 1.00 73.11 O ATOM 944 ND2 ASN A 60 -13.491 3.158 -11.024 1.00 74.02 N ATOM 0 H ASN A 60 -11.239 4.954 -7.753 1.00 0.34 H new ATOM 0 HA ASN A 60 -13.972 5.759 -8.341 1.00 54.11 H new ATOM 0 HB2 ASN A 60 -12.549 3.064 -8.240 1.00 72.22 H new ATOM 0 HB3 ASN A 60 -14.257 3.230 -8.594 1.00 72.22 H new ATOM 0 HD21 ASN A 60 -13.296 3.282 -12.017 1.00 74.02 H new ATOM 0 HD22 ASN A 60 -14.092 2.395 -10.714 1.00 74.02 H new ATOM 951 N SER A 61 -13.180 4.935 -5.350 1.00 24.14 N ATOM 952 CA SER A 61 -13.619 4.776 -3.952 1.00 74.12 C ATOM 953 C SER A 61 -14.175 3.367 -3.718 1.00 72.20 C ATOM 954 O SER A 61 -15.318 3.186 -3.285 1.00 5.14 O ATOM 955 CB SER A 61 -14.617 5.885 -3.536 1.00 61.34 C ATOM 956 OG SER A 61 -14.023 7.163 -3.640 1.00 30.35 O ATOM 0 H SER A 61 -12.192 5.172 -5.434 1.00 24.14 H new ATOM 0 HA SER A 61 -12.749 4.893 -3.305 1.00 74.12 H new ATOM 0 HB2 SER A 61 -15.503 5.839 -4.169 1.00 61.34 H new ATOM 0 HB3 SER A 61 -14.948 5.716 -2.511 1.00 61.34 H new ATOM 0 HG SER A 61 -13.079 7.066 -3.886 1.00 30.35 H new ATOM 962 N GLU A 62 -13.336 2.361 -4.008 1.00 13.25 N ATOM 963 CA GLU A 62 -13.683 0.937 -3.847 1.00 21.24 C ATOM 964 C GLU A 62 -13.395 0.442 -2.410 1.00 5.22 C ATOM 965 O GLU A 62 -12.922 -0.676 -2.203 1.00 30.42 O ATOM 966 CB GLU A 62 -12.936 0.111 -4.922 1.00 2.25 C ATOM 967 CG GLU A 62 -13.344 0.456 -6.378 1.00 15.21 C ATOM 968 CD GLU A 62 -14.855 0.326 -6.640 1.00 32.13 C ATOM 969 OE1 GLU A 62 -15.370 -0.813 -6.645 1.00 3.02 O ATOM 970 OE2 GLU A 62 -15.534 1.357 -6.861 1.00 4.42 O ATOM 0 H GLU A 62 -12.392 2.511 -4.363 1.00 13.25 H new ATOM 0 HA GLU A 62 -14.755 0.804 -3.995 1.00 21.24 H new ATOM 0 HB2 GLU A 62 -11.864 0.271 -4.808 1.00 2.25 H new ATOM 0 HB3 GLU A 62 -13.121 -0.949 -4.745 1.00 2.25 H new ATOM 0 HG2 GLU A 62 -13.031 1.476 -6.603 1.00 15.21 H new ATOM 0 HG3 GLU A 62 -12.807 -0.201 -7.063 1.00 15.21 H new ATOM 977 N TYR A 63 -13.691 1.334 -1.450 1.00 24.40 N ATOM 978 CA TYR A 63 -13.832 1.057 -0.003 1.00 23.23 C ATOM 979 C TYR A 63 -12.486 0.958 0.730 1.00 54.52 C ATOM 980 O TYR A 63 -11.522 0.399 0.223 1.00 25.25 O ATOM 981 CB TYR A 63 -14.737 -0.179 0.290 1.00 63.15 C ATOM 982 CG TYR A 63 -16.227 0.041 -0.008 1.00 50.31 C ATOM 983 CD1 TYR A 63 -17.121 0.420 1.001 1.00 73.13 C ATOM 984 CD2 TYR A 63 -16.741 -0.125 -1.296 1.00 64.24 C ATOM 985 CE1 TYR A 63 -18.465 0.636 0.726 1.00 1.12 C ATOM 986 CE2 TYR A 63 -18.083 0.088 -1.571 1.00 12.21 C ATOM 987 CZ TYR A 63 -18.940 0.466 -0.557 1.00 11.11 C ATOM 988 OH TYR A 63 -20.279 0.687 -0.832 1.00 13.20 O ATOM 0 H TYR A 63 -13.847 2.318 -1.669 1.00 24.40 H new ATOM 0 HA TYR A 63 -14.342 1.930 0.404 1.00 23.23 H new ATOM 0 HB2 TYR A 63 -14.381 -1.023 -0.301 1.00 63.15 H new ATOM 0 HB3 TYR A 63 -14.626 -0.455 1.339 1.00 63.15 H new ATOM 0 HD1 TYR A 63 -16.759 0.547 2.011 1.00 73.13 H new ATOM 0 HD2 TYR A 63 -16.079 -0.426 -2.095 1.00 64.24 H new ATOM 0 HE1 TYR A 63 -19.137 0.937 1.516 1.00 1.12 H new ATOM 0 HE2 TYR A 63 -18.457 -0.041 -2.576 1.00 12.21 H new ATOM 0 HH TYR A 63 -20.449 0.524 -1.783 1.00 13.20 H new ATOM 998 N LEU A 64 -12.481 1.422 1.986 1.00 61.24 N ATOM 999 CA LEU A 64 -11.223 1.588 2.768 1.00 5.43 C ATOM 1000 C LEU A 64 -10.783 0.214 3.308 1.00 3.02 C ATOM 1001 O LEU A 64 -9.652 -0.192 3.048 1.00 14.34 O ATOM 1002 CB LEU A 64 -11.278 2.690 3.926 1.00 24.02 C ATOM 1003 CG LEU A 64 -10.700 4.144 3.685 1.00 0.20 C ATOM 1004 CD1 LEU A 64 -9.155 4.138 3.553 1.00 51.24 C ATOM 1005 CD2 LEU A 64 -11.364 4.941 2.523 1.00 13.03 C ATOM 0 H LEU A 64 -13.325 1.692 2.492 1.00 61.24 H new ATOM 0 HA LEU A 64 -10.478 1.983 2.077 1.00 5.43 H new ATOM 0 HB2 LEU A 64 -12.324 2.804 4.211 1.00 24.02 H new ATOM 0 HB3 LEU A 64 -10.755 2.276 4.788 1.00 24.02 H new ATOM 0 HG LEU A 64 -10.973 4.690 4.588 1.00 0.20 H new ATOM 0 HD11 LEU A 64 -8.800 5.155 3.389 1.00 51.24 H new ATOM 0 HD12 LEU A 64 -8.713 3.743 4.468 1.00 51.24 H new ATOM 0 HD13 LEU A 64 -8.864 3.512 2.710 1.00 51.24 H new ATOM 0 HD21 LEU A 64 -10.897 5.922 2.441 1.00 13.03 H new ATOM 0 HD22 LEU A 64 -11.232 4.398 1.587 1.00 13.03 H new ATOM 0 HD23 LEU A 64 -12.428 5.062 2.726 1.00 13.03 H new ATOM 1017 N PRO A 65 -11.665 -0.553 4.041 1.00 14.52 N ATOM 1018 CA PRO A 65 -11.346 -1.946 4.439 1.00 63.51 C ATOM 1019 C PRO A 65 -11.048 -2.866 3.245 1.00 53.24 C ATOM 1020 O PRO A 65 -10.305 -3.831 3.396 1.00 12.52 O ATOM 1021 CB PRO A 65 -12.616 -2.413 5.176 1.00 3.02 C ATOM 1022 CG PRO A 65 -13.696 -1.462 4.763 1.00 61.33 C ATOM 1023 CD PRO A 65 -13.003 -0.150 4.573 1.00 60.31 C ATOM 0 HA PRO A 65 -10.441 -1.986 5.046 1.00 63.51 H new ATOM 0 HB2 PRO A 65 -12.872 -3.437 4.905 1.00 3.02 H new ATOM 0 HB3 PRO A 65 -12.471 -2.396 6.256 1.00 3.02 H new ATOM 0 HG2 PRO A 65 -14.180 -1.790 3.843 1.00 61.33 H new ATOM 0 HG3 PRO A 65 -14.473 -1.392 5.524 1.00 61.33 H new ATOM 0 HD2 PRO A 65 -13.539 0.492 3.874 1.00 60.31 H new ATOM 0 HD3 PRO A 65 -12.916 0.400 5.510 1.00 60.31 H new ATOM 1031 N LYS A 66 -11.630 -2.555 2.064 1.00 34.54 N ATOM 1032 CA LYS A 66 -11.465 -3.392 0.869 1.00 44.24 C ATOM 1033 C LYS A 66 -10.054 -3.212 0.289 1.00 45.24 C ATOM 1034 O LYS A 66 -9.406 -4.191 -0.061 1.00 32.42 O ATOM 1035 CB LYS A 66 -12.554 -3.094 -0.204 1.00 43.40 C ATOM 1036 CG LYS A 66 -12.365 -3.844 -1.549 1.00 52.01 C ATOM 1037 CD LYS A 66 -12.370 -5.385 -1.392 1.00 41.34 C ATOM 1038 CE LYS A 66 -11.935 -6.112 -2.671 1.00 51.33 C ATOM 1039 NZ LYS A 66 -11.931 -7.596 -2.492 1.00 52.54 N ATOM 0 H LYS A 66 -12.215 -1.732 1.920 1.00 34.54 H new ATOM 0 HA LYS A 66 -11.592 -4.432 1.168 1.00 44.24 H new ATOM 0 HB2 LYS A 66 -13.530 -3.354 0.207 1.00 43.40 H new ATOM 0 HB3 LYS A 66 -12.566 -2.022 -0.401 1.00 43.40 H new ATOM 0 HG2 LYS A 66 -13.160 -3.552 -2.235 1.00 52.01 H new ATOM 0 HG3 LYS A 66 -11.423 -3.534 -2.002 1.00 52.01 H new ATOM 0 HD2 LYS A 66 -11.704 -5.665 -0.576 1.00 41.34 H new ATOM 0 HD3 LYS A 66 -13.371 -5.715 -1.114 1.00 41.34 H new ATOM 0 HE2 LYS A 66 -12.607 -5.846 -3.487 1.00 51.33 H new ATOM 0 HE3 LYS A 66 -10.938 -5.778 -2.958 1.00 51.33 H new ATOM 0 HZ1 LYS A 66 -11.632 -8.052 -3.378 1.00 52.54 H new ATOM 0 HZ2 LYS A 66 -11.271 -7.852 -1.731 1.00 52.54 H new ATOM 0 HZ3 LYS A 66 -12.888 -7.918 -2.243 1.00 52.54 H new ATOM 1053 N ILE A 67 -9.580 -1.956 0.225 1.00 24.22 N ATOM 1054 CA ILE A 67 -8.251 -1.624 -0.317 1.00 10.20 C ATOM 1055 C ILE A 67 -7.148 -1.934 0.706 1.00 65.02 C ATOM 1056 O ILE A 67 -6.019 -2.240 0.329 1.00 25.52 O ATOM 1057 CB ILE A 67 -8.211 -0.122 -0.793 1.00 61.33 C ATOM 1058 CG1 ILE A 67 -9.328 0.084 -1.859 1.00 42.20 C ATOM 1059 CG2 ILE A 67 -6.821 0.279 -1.355 1.00 45.44 C ATOM 1060 CD1 ILE A 67 -9.503 1.495 -2.379 1.00 11.23 C ATOM 0 H ILE A 67 -10.106 -1.144 0.547 1.00 24.22 H new ATOM 0 HA ILE A 67 -8.062 -2.250 -1.189 1.00 10.20 H new ATOM 0 HB ILE A 67 -8.388 0.526 0.065 1.00 61.33 H new ATOM 0 HG12 ILE A 67 -9.118 -0.570 -2.706 1.00 42.20 H new ATOM 0 HG13 ILE A 67 -10.275 -0.243 -1.430 1.00 42.20 H new ATOM 0 HG21 ILE A 67 -6.843 1.322 -1.670 1.00 45.44 H new ATOM 0 HG22 ILE A 67 -6.064 0.149 -0.581 1.00 45.44 H new ATOM 0 HG23 ILE A 67 -6.578 -0.353 -2.209 1.00 45.44 H new ATOM 0 HD11 ILE A 67 -10.308 1.515 -3.114 1.00 11.23 H new ATOM 0 HD12 ILE A 67 -9.751 2.160 -1.551 1.00 11.23 H new ATOM 0 HD13 ILE A 67 -8.576 1.828 -2.846 1.00 11.23 H new ATOM 1072 N ILE A 68 -7.500 -1.903 2.007 1.00 52.35 N ATOM 1073 CA ILE A 68 -6.584 -2.300 3.086 1.00 33.22 C ATOM 1074 C ILE A 68 -6.398 -3.831 3.054 1.00 60.24 C ATOM 1075 O ILE A 68 -5.271 -4.320 3.151 1.00 71.30 O ATOM 1076 CB ILE A 68 -7.077 -1.802 4.503 1.00 65.35 C ATOM 1077 CG1 ILE A 68 -6.936 -0.244 4.612 1.00 41.02 C ATOM 1078 CG2 ILE A 68 -6.323 -2.518 5.651 1.00 44.34 C ATOM 1079 CD1 ILE A 68 -7.555 0.370 5.853 1.00 25.23 C ATOM 0 H ILE A 68 -8.419 -1.605 2.333 1.00 52.35 H new ATOM 0 HA ILE A 68 -5.621 -1.818 2.918 1.00 33.22 H new ATOM 0 HB ILE A 68 -8.131 -2.059 4.605 1.00 65.35 H new ATOM 0 HG12 ILE A 68 -5.877 0.013 4.588 1.00 41.02 H new ATOM 0 HG13 ILE A 68 -7.394 0.210 3.733 1.00 41.02 H new ATOM 0 HG21 ILE A 68 -6.688 -2.151 6.610 1.00 44.34 H new ATOM 0 HG22 ILE A 68 -6.495 -3.592 5.585 1.00 44.34 H new ATOM 0 HG23 ILE A 68 -5.255 -2.315 5.567 1.00 44.34 H new ATOM 0 HD11 ILE A 68 -7.406 1.450 5.838 1.00 25.23 H new ATOM 0 HD12 ILE A 68 -8.623 0.151 5.873 1.00 25.23 H new ATOM 0 HD13 ILE A 68 -7.082 -0.049 6.741 1.00 25.23 H new ATOM 1091 N LEU A 69 -7.520 -4.569 2.852 1.00 31.22 N ATOM 1092 CA LEU A 69 -7.500 -6.049 2.732 1.00 14.13 C ATOM 1093 C LEU A 69 -6.746 -6.452 1.460 1.00 3.13 C ATOM 1094 O LEU A 69 -5.859 -7.286 1.515 1.00 22.34 O ATOM 1095 CB LEU A 69 -8.937 -6.695 2.721 1.00 24.55 C ATOM 1096 CG LEU A 69 -9.627 -6.988 4.134 1.00 10.52 C ATOM 1097 CD1 LEU A 69 -10.941 -7.831 4.038 1.00 30.45 C ATOM 1098 CD2 LEU A 69 -8.646 -7.642 5.140 1.00 50.23 C ATOM 0 H LEU A 69 -8.451 -4.161 2.769 1.00 31.22 H new ATOM 0 HA LEU A 69 -6.992 -6.428 3.618 1.00 14.13 H new ATOM 0 HB2 LEU A 69 -9.597 -6.038 2.155 1.00 24.55 H new ATOM 0 HB3 LEU A 69 -8.878 -7.636 2.174 1.00 24.55 H new ATOM 0 HG LEU A 69 -9.911 -6.004 4.508 1.00 10.52 H new ATOM 0 HD11 LEU A 69 -11.347 -7.986 5.037 1.00 30.45 H new ATOM 0 HD12 LEU A 69 -11.671 -7.299 3.428 1.00 30.45 H new ATOM 0 HD13 LEU A 69 -10.722 -8.796 3.581 1.00 30.45 H new ATOM 0 HD21 LEU A 69 -9.160 -7.822 6.084 1.00 50.23 H new ATOM 0 HD22 LEU A 69 -8.288 -8.589 4.736 1.00 50.23 H new ATOM 0 HD23 LEU A 69 -7.800 -6.976 5.308 1.00 50.23 H new ATOM 1110 N ASN A 70 -7.098 -5.810 0.339 1.00 3.20 N ATOM 1111 CA ASN A 70 -6.575 -6.150 -0.997 1.00 22.15 C ATOM 1112 C ASN A 70 -5.075 -5.824 -1.103 1.00 14.43 C ATOM 1113 O ASN A 70 -4.317 -6.579 -1.721 1.00 73.44 O ATOM 1114 CB ASN A 70 -7.424 -5.433 -2.088 1.00 73.02 C ATOM 1115 CG ASN A 70 -6.972 -5.699 -3.524 1.00 43.11 C ATOM 1116 OD1 ASN A 70 -7.326 -6.713 -4.120 1.00 10.11 O ATOM 1117 ND2 ASN A 70 -6.227 -4.776 -4.094 1.00 74.13 N ATOM 0 H ASN A 70 -7.759 -5.033 0.330 1.00 3.20 H new ATOM 0 HA ASN A 70 -6.664 -7.224 -1.160 1.00 22.15 H new ATOM 0 HB2 ASN A 70 -8.463 -5.745 -1.984 1.00 73.02 H new ATOM 0 HB3 ASN A 70 -7.394 -4.359 -1.905 1.00 73.02 H new ATOM 0 HD21 ASN A 70 -5.925 -4.890 -5.061 1.00 74.13 H new ATOM 0 HD22 ASN A 70 -5.952 -3.946 -3.568 1.00 74.13 H new ATOM 1124 N LEU A 71 -4.637 -4.728 -0.449 1.00 4.04 N ATOM 1125 CA LEU A 71 -3.209 -4.372 -0.387 1.00 74.34 C ATOM 1126 C LEU A 71 -2.485 -5.341 0.567 1.00 14.24 C ATOM 1127 O LEU A 71 -1.366 -5.749 0.309 1.00 2.03 O ATOM 1128 CB LEU A 71 -3.013 -2.899 0.073 1.00 65.15 C ATOM 1129 CG LEU A 71 -1.542 -2.335 0.113 1.00 52.11 C ATOM 1130 CD1 LEU A 71 -0.941 -2.123 -1.299 1.00 21.14 C ATOM 1131 CD2 LEU A 71 -1.465 -1.033 0.951 1.00 23.30 C ATOM 0 H LEU A 71 -5.251 -4.078 0.041 1.00 4.04 H new ATOM 0 HA LEU A 71 -2.782 -4.459 -1.386 1.00 74.34 H new ATOM 0 HB2 LEU A 71 -3.599 -2.260 -0.587 1.00 65.15 H new ATOM 0 HB3 LEU A 71 -3.438 -2.800 1.072 1.00 65.15 H new ATOM 0 HG LEU A 71 -0.932 -3.096 0.600 1.00 52.11 H new ATOM 0 HD11 LEU A 71 0.073 -1.733 -1.208 1.00 21.14 H new ATOM 0 HD12 LEU A 71 -0.918 -3.074 -1.831 1.00 21.14 H new ATOM 0 HD13 LEU A 71 -1.555 -1.412 -1.853 1.00 21.14 H new ATOM 0 HD21 LEU A 71 -0.438 -0.667 0.961 1.00 23.30 H new ATOM 0 HD22 LEU A 71 -2.115 -0.278 0.510 1.00 23.30 H new ATOM 0 HD23 LEU A 71 -1.787 -1.238 1.972 1.00 23.30 H new ATOM 1143 N ARG A 72 -3.178 -5.750 1.647 1.00 11.14 N ATOM 1144 CA ARG A 72 -2.641 -6.735 2.621 1.00 4.22 C ATOM 1145 C ARG A 72 -2.606 -8.150 1.987 1.00 51.55 C ATOM 1146 O ARG A 72 -1.818 -8.992 2.381 1.00 13.52 O ATOM 1147 CB ARG A 72 -3.464 -6.717 3.961 1.00 64.14 C ATOM 1148 CG ARG A 72 -2.853 -7.541 5.105 1.00 54.15 C ATOM 1149 CD ARG A 72 -3.774 -7.625 6.332 1.00 3.43 C ATOM 1150 NE ARG A 72 -4.964 -8.447 6.087 1.00 51.33 N ATOM 1151 CZ ARG A 72 -5.784 -8.916 7.037 1.00 21.21 C ATOM 1152 NH1 ARG A 72 -5.583 -8.639 8.324 1.00 22.31 N ATOM 1153 NH2 ARG A 72 -6.787 -9.701 6.694 1.00 62.11 N ATOM 0 H ARG A 72 -4.115 -5.415 1.872 1.00 11.14 H new ATOM 0 HA ARG A 72 -1.619 -6.453 2.873 1.00 4.22 H new ATOM 0 HB2 ARG A 72 -3.569 -5.684 4.292 1.00 64.14 H new ATOM 0 HB3 ARG A 72 -4.468 -7.091 3.759 1.00 64.14 H new ATOM 0 HG2 ARG A 72 -2.638 -8.548 4.747 1.00 54.15 H new ATOM 0 HG3 ARG A 72 -1.902 -7.097 5.399 1.00 54.15 H new ATOM 0 HD2 ARG A 72 -3.217 -8.039 7.172 1.00 3.43 H new ATOM 0 HD3 ARG A 72 -4.084 -6.620 6.619 1.00 3.43 H new ATOM 0 HE ARG A 72 -5.184 -8.679 5.119 1.00 51.33 H new ATOM 0 HH11 ARG A 72 -4.792 -8.059 8.603 1.00 22.31 H new ATOM 0 HH12 ARG A 72 -6.220 -9.007 9.030 1.00 22.31 H new ATOM 0 HH21 ARG A 72 -6.932 -9.945 5.714 1.00 62.11 H new ATOM 0 HH22 ARG A 72 -7.418 -10.064 7.409 1.00 62.11 H new ATOM 1167 N LYS A 73 -3.452 -8.389 0.959 1.00 61.53 N ATOM 1168 CA LYS A 73 -3.446 -9.643 0.182 1.00 4.15 C ATOM 1169 C LYS A 73 -2.422 -9.548 -0.955 1.00 54.35 C ATOM 1170 O LYS A 73 -2.007 -10.562 -1.517 1.00 15.45 O ATOM 1171 CB LYS A 73 -4.869 -9.945 -0.367 1.00 13.21 C ATOM 1172 CG LYS A 73 -5.895 -10.265 0.739 1.00 63.41 C ATOM 1173 CD LYS A 73 -7.347 -10.396 0.232 1.00 2.42 C ATOM 1174 CE LYS A 73 -8.339 -10.595 1.388 1.00 55.43 C ATOM 1175 NZ LYS A 73 -8.002 -11.781 2.226 1.00 70.54 N ATOM 0 H LYS A 73 -4.155 -7.718 0.648 1.00 61.53 H new ATOM 0 HA LYS A 73 -3.157 -10.467 0.834 1.00 4.15 H new ATOM 0 HB2 LYS A 73 -5.219 -9.087 -0.940 1.00 13.21 H new ATOM 0 HB3 LYS A 73 -4.814 -10.788 -1.056 1.00 13.21 H new ATOM 0 HG2 LYS A 73 -5.607 -11.195 1.229 1.00 63.41 H new ATOM 0 HG3 LYS A 73 -5.855 -9.481 1.495 1.00 63.41 H new ATOM 0 HD2 LYS A 73 -7.618 -9.502 -0.330 1.00 2.42 H new ATOM 0 HD3 LYS A 73 -7.417 -11.238 -0.456 1.00 2.42 H new ATOM 0 HE2 LYS A 73 -8.348 -9.702 2.013 1.00 55.43 H new ATOM 0 HE3 LYS A 73 -9.345 -10.712 0.984 1.00 55.43 H new ATOM 0 HZ1 LYS A 73 -8.769 -11.954 2.907 1.00 70.54 H new ATOM 0 HZ2 LYS A 73 -7.885 -12.615 1.616 1.00 70.54 H new ATOM 0 HZ3 LYS A 73 -7.116 -11.602 2.741 1.00 70.54 H new ATOM 1189 N ALA A 74 -2.058 -8.306 -1.299 1.00 1.30 N ATOM 1190 CA ALA A 74 -0.999 -8.008 -2.265 1.00 4.34 C ATOM 1191 C ALA A 74 0.393 -7.946 -1.598 1.00 71.22 C ATOM 1192 O ALA A 74 1.386 -8.087 -2.299 1.00 51.45 O ATOM 1193 CB ALA A 74 -1.320 -6.696 -2.998 1.00 41.04 C ATOM 0 H ALA A 74 -2.497 -7.472 -0.909 1.00 1.30 H new ATOM 0 HA ALA A 74 -0.962 -8.822 -2.989 1.00 4.34 H new ATOM 0 HB1 ALA A 74 -0.530 -6.478 -3.716 1.00 41.04 H new ATOM 0 HB2 ALA A 74 -2.270 -6.796 -3.523 1.00 41.04 H new ATOM 0 HB3 ALA A 74 -1.389 -5.883 -2.275 1.00 41.04 H new ATOM 1199 N LEU A 75 0.483 -7.723 -0.255 1.00 71.31 N ATOM 1200 CA LEU A 75 1.807 -7.612 0.434 1.00 41.11 C ATOM 1201 C LEU A 75 2.106 -8.785 1.405 1.00 10.23 C ATOM 1202 O LEU A 75 3.272 -9.204 1.491 1.00 1.52 O ATOM 1203 CB LEU A 75 1.981 -6.236 1.180 1.00 62.32 C ATOM 1204 CG LEU A 75 1.630 -4.902 0.413 1.00 53.42 C ATOM 1205 CD1 LEU A 75 1.997 -3.647 1.243 1.00 2.23 C ATOM 1206 CD2 LEU A 75 2.242 -4.828 -1.007 1.00 12.11 C ATOM 0 H LEU A 75 -0.323 -7.618 0.361 1.00 71.31 H new ATOM 0 HA LEU A 75 2.540 -7.667 -0.371 1.00 41.11 H new ATOM 0 HB2 LEU A 75 1.367 -6.270 2.080 1.00 62.32 H new ATOM 0 HB3 LEU A 75 3.019 -6.166 1.504 1.00 62.32 H new ATOM 0 HG LEU A 75 0.548 -4.918 0.281 1.00 53.42 H new ATOM 0 HD11 LEU A 75 1.740 -2.750 0.680 1.00 2.23 H new ATOM 0 HD12 LEU A 75 1.443 -3.657 2.182 1.00 2.23 H new ATOM 0 HD13 LEU A 75 3.067 -3.649 1.452 1.00 2.23 H new ATOM 0 HD21 LEU A 75 1.960 -3.885 -1.476 1.00 12.11 H new ATOM 0 HD22 LEU A 75 3.328 -4.889 -0.939 1.00 12.11 H new ATOM 0 HD23 LEU A 75 1.869 -5.658 -1.608 1.00 12.11 H new ATOM 1218 N THR A 76 1.091 -9.322 2.134 1.00 12.31 N ATOM 1219 CA THR A 76 1.337 -10.383 3.147 1.00 12.43 C ATOM 1220 C THR A 76 1.906 -11.695 2.516 1.00 22.10 C ATOM 1221 O THR A 76 2.926 -12.173 3.014 1.00 23.24 O ATOM 1222 CB THR A 76 0.089 -10.674 4.070 1.00 64.00 C ATOM 1223 OG1 THR A 76 -0.196 -9.527 4.869 1.00 14.43 O ATOM 1224 CG2 THR A 76 0.273 -11.901 4.987 1.00 31.41 C ATOM 0 H THR A 76 0.114 -9.044 2.042 1.00 12.31 H new ATOM 0 HA THR A 76 2.110 -9.978 3.800 1.00 12.43 H new ATOM 0 HB THR A 76 -0.742 -10.900 3.402 1.00 64.00 H new ATOM 0 HG1 THR A 76 -0.863 -9.759 5.548 1.00 14.43 H new ATOM 0 HG21 THR A 76 -0.623 -12.041 5.592 1.00 31.41 H new ATOM 0 HG22 THR A 76 0.441 -12.789 4.377 1.00 31.41 H new ATOM 0 HG23 THR A 76 1.131 -11.742 5.640 1.00 31.41 H new ATOM 1232 N PRO A 77 1.319 -12.307 1.409 1.00 1.32 N ATOM 1233 CA PRO A 77 1.915 -13.532 0.794 1.00 75.04 C ATOM 1234 C PRO A 77 3.343 -13.309 0.238 1.00 45.12 C ATOM 1235 O PRO A 77 4.173 -14.231 0.266 1.00 31.21 O ATOM 1236 CB PRO A 77 0.920 -13.911 -0.332 1.00 2.31 C ATOM 1237 CG PRO A 77 -0.355 -13.242 0.056 1.00 50.33 C ATOM 1238 CD PRO A 77 0.064 -11.933 0.690 1.00 42.31 C ATOM 0 HA PRO A 77 2.045 -14.321 1.534 1.00 75.04 H new ATOM 0 HB2 PRO A 77 1.270 -13.565 -1.304 1.00 2.31 H new ATOM 0 HB3 PRO A 77 0.795 -14.991 -0.405 1.00 2.31 H new ATOM 0 HG2 PRO A 77 -0.992 -13.073 -0.812 1.00 50.33 H new ATOM 0 HG3 PRO A 77 -0.925 -13.854 0.755 1.00 50.33 H new ATOM 0 HD2 PRO A 77 0.240 -11.159 -0.057 1.00 42.31 H new ATOM 0 HD3 PRO A 77 -0.696 -11.551 1.372 1.00 42.31 H new ATOM 1246 N LEU A 78 3.621 -12.077 -0.256 1.00 43.52 N ATOM 1247 CA LEU A 78 4.976 -11.703 -0.748 1.00 23.14 C ATOM 1248 C LEU A 78 5.971 -11.594 0.430 1.00 34.30 C ATOM 1249 O LEU A 78 7.169 -11.886 0.276 1.00 25.31 O ATOM 1250 CB LEU A 78 4.988 -10.364 -1.578 1.00 30.02 C ATOM 1251 CG LEU A 78 3.947 -10.212 -2.762 1.00 64.22 C ATOM 1252 CD1 LEU A 78 4.145 -8.898 -3.564 1.00 1.34 C ATOM 1253 CD2 LEU A 78 3.943 -11.416 -3.739 1.00 23.14 C ATOM 0 H LEU A 78 2.932 -11.328 -0.325 1.00 43.52 H new ATOM 0 HA LEU A 78 5.284 -12.502 -1.423 1.00 23.14 H new ATOM 0 HB2 LEU A 78 4.826 -9.540 -0.884 1.00 30.02 H new ATOM 0 HB3 LEU A 78 5.987 -10.239 -1.994 1.00 30.02 H new ATOM 0 HG LEU A 78 2.977 -10.180 -2.267 1.00 64.22 H new ATOM 0 HD11 LEU A 78 3.406 -8.845 -4.363 1.00 1.34 H new ATOM 0 HD12 LEU A 78 4.022 -8.044 -2.898 1.00 1.34 H new ATOM 0 HD13 LEU A 78 5.146 -8.882 -3.994 1.00 1.34 H new ATOM 0 HD21 LEU A 78 3.207 -11.245 -4.525 1.00 23.14 H new ATOM 0 HD22 LEU A 78 4.931 -11.526 -4.185 1.00 23.14 H new ATOM 0 HD23 LEU A 78 3.688 -12.325 -3.195 1.00 23.14 H new ATOM 1265 N ALA A 79 5.460 -11.178 1.603 1.00 54.52 N ATOM 1266 CA ALA A 79 6.246 -11.082 2.842 1.00 43.54 C ATOM 1267 C ALA A 79 6.589 -12.484 3.381 1.00 10.43 C ATOM 1268 O ALA A 79 7.747 -12.759 3.713 1.00 44.22 O ATOM 1269 CB ALA A 79 5.481 -10.259 3.887 1.00 54.44 C ATOM 0 H ALA A 79 4.486 -10.898 1.716 1.00 54.52 H new ATOM 0 HA ALA A 79 7.185 -10.573 2.624 1.00 43.54 H new ATOM 0 HB1 ALA A 79 6.071 -10.193 4.801 1.00 54.44 H new ATOM 0 HB2 ALA A 79 5.300 -9.257 3.499 1.00 54.44 H new ATOM 0 HB3 ALA A 79 4.528 -10.742 4.104 1.00 54.44 H new ATOM 1275 N ILE A 80 5.574 -13.375 3.396 1.00 44.54 N ATOM 1276 CA ILE A 80 5.697 -14.760 3.908 1.00 64.11 C ATOM 1277 C ILE A 80 6.691 -15.564 3.046 1.00 4.44 C ATOM 1278 O ILE A 80 7.526 -16.316 3.565 1.00 32.34 O ATOM 1279 CB ILE A 80 4.287 -15.486 3.959 1.00 70.12 C ATOM 1280 CG1 ILE A 80 3.284 -14.708 4.888 1.00 41.33 C ATOM 1281 CG2 ILE A 80 4.426 -16.963 4.406 1.00 50.44 C ATOM 1282 CD1 ILE A 80 1.890 -15.316 4.983 1.00 43.15 C ATOM 0 H ILE A 80 4.640 -13.153 3.051 1.00 44.54 H new ATOM 0 HA ILE A 80 6.079 -14.708 4.928 1.00 64.11 H new ATOM 0 HB ILE A 80 3.880 -15.485 2.948 1.00 70.12 H new ATOM 0 HG12 ILE A 80 3.709 -14.653 5.890 1.00 41.33 H new ATOM 0 HG13 ILE A 80 3.194 -13.685 4.523 1.00 41.33 H new ATOM 0 HG21 ILE A 80 3.441 -17.430 4.430 1.00 50.44 H new ATOM 0 HG22 ILE A 80 5.064 -17.498 3.702 1.00 50.44 H new ATOM 0 HG23 ILE A 80 4.870 -17.002 5.401 1.00 50.44 H new ATOM 0 HD11 ILE A 80 1.273 -14.709 5.645 1.00 43.15 H new ATOM 0 HD12 ILE A 80 1.438 -15.346 3.992 1.00 43.15 H new ATOM 0 HD13 ILE A 80 1.961 -16.329 5.380 1.00 43.15 H new ATOM 1294 N ASN A 81 6.602 -15.369 1.725 1.00 4.12 N ATOM 1295 CA ASN A 81 7.535 -15.978 0.758 1.00 13.04 C ATOM 1296 C ASN A 81 8.884 -15.217 0.703 1.00 1.21 C ATOM 1297 O ASN A 81 9.812 -15.684 0.044 1.00 2.03 O ATOM 1298 CB ASN A 81 6.873 -16.074 -0.637 1.00 4.02 C ATOM 1299 CG ASN A 81 5.768 -17.139 -0.711 1.00 54.42 C ATOM 1300 OD1 ASN A 81 5.886 -18.215 -0.146 1.00 60.31 O ATOM 1301 ND2 ASN A 81 4.683 -16.836 -1.395 1.00 71.31 N ATOM 0 H ASN A 81 5.885 -14.787 1.293 1.00 4.12 H new ATOM 0 HA ASN A 81 7.763 -16.989 1.096 1.00 13.04 H new ATOM 0 HB2 ASN A 81 6.451 -15.104 -0.899 1.00 4.02 H new ATOM 0 HB3 ASN A 81 7.638 -16.301 -1.380 1.00 4.02 H new ATOM 0 HD21 ASN A 81 3.918 -17.507 -1.461 1.00 71.31 H new ATOM 0 HD22 ASN A 81 4.608 -15.930 -1.858 1.00 71.31 H new ATOM 1308 N ARG A 82 8.971 -14.045 1.389 1.00 12.14 N ATOM 1309 CA ARG A 82 10.264 -13.340 1.682 1.00 54.40 C ATOM 1310 C ARG A 82 10.925 -12.776 0.385 1.00 75.21 C ATOM 1311 O ARG A 82 12.162 -12.781 0.258 1.00 61.31 O ATOM 1312 CB ARG A 82 11.299 -14.292 2.434 1.00 24.22 C ATOM 1313 CG ARG A 82 10.859 -15.087 3.729 1.00 42.24 C ATOM 1314 CD ARG A 82 11.213 -14.448 5.111 1.00 74.33 C ATOM 1315 NE ARG A 82 11.286 -15.480 6.163 1.00 32.35 N ATOM 1316 CZ ARG A 82 11.905 -15.348 7.344 1.00 33.14 C ATOM 1317 NH1 ARG A 82 12.517 -14.214 7.696 1.00 74.23 N ATOM 1318 NH2 ARG A 82 11.948 -16.379 8.169 1.00 2.10 N ATOM 0 H ARG A 82 8.153 -13.558 1.756 1.00 12.14 H new ATOM 0 HA ARG A 82 10.014 -12.506 2.338 1.00 54.40 H new ATOM 0 HB2 ARG A 82 11.648 -15.026 1.708 1.00 24.22 H new ATOM 0 HB3 ARG A 82 12.159 -13.681 2.708 1.00 24.22 H new ATOM 0 HG2 ARG A 82 9.779 -15.229 3.688 1.00 42.24 H new ATOM 0 HG3 ARG A 82 11.312 -16.078 3.688 1.00 42.24 H new ATOM 0 HD2 ARG A 82 12.167 -13.925 5.041 1.00 74.33 H new ATOM 0 HD3 ARG A 82 10.461 -13.705 5.376 1.00 74.33 H new ATOM 0 HE ARG A 82 10.826 -16.371 5.975 1.00 32.35 H new ATOM 0 HH11 ARG A 82 12.522 -13.418 7.058 1.00 74.23 H new ATOM 0 HH12 ARG A 82 12.980 -14.144 8.602 1.00 74.23 H new ATOM 0 HH21 ARG A 82 11.513 -17.263 7.904 1.00 2.10 H new ATOM 0 HH22 ARG A 82 12.416 -16.291 9.071 1.00 2.10 H new ATOM 1332 N THR A 83 10.116 -12.242 -0.549 1.00 12.03 N ATOM 1333 CA THR A 83 10.630 -11.665 -1.818 1.00 75.04 C ATOM 1334 C THR A 83 10.103 -10.226 -2.027 1.00 70.43 C ATOM 1335 O THR A 83 10.197 -9.669 -3.130 1.00 54.43 O ATOM 1336 CB THR A 83 10.286 -12.596 -3.043 1.00 34.13 C ATOM 1337 OG1 THR A 83 10.974 -12.174 -4.242 1.00 1.50 O ATOM 1338 CG2 THR A 83 8.784 -12.646 -3.328 1.00 51.54 C ATOM 0 H THR A 83 9.102 -12.195 -0.454 1.00 12.03 H new ATOM 0 HA THR A 83 11.716 -11.607 -1.748 1.00 75.04 H new ATOM 0 HB THR A 83 10.624 -13.594 -2.763 1.00 34.13 H new ATOM 0 HG1 THR A 83 10.974 -11.195 -4.292 1.00 1.50 H new ATOM 0 HG21 THR A 83 8.597 -13.300 -4.180 1.00 51.54 H new ATOM 0 HG22 THR A 83 8.260 -13.031 -2.453 1.00 51.54 H new ATOM 0 HG23 THR A 83 8.423 -11.643 -3.554 1.00 51.54 H new ATOM 1346 N LEU A 84 9.562 -9.621 -0.954 1.00 42.44 N ATOM 1347 CA LEU A 84 9.137 -8.207 -0.960 1.00 14.15 C ATOM 1348 C LEU A 84 10.364 -7.305 -0.700 1.00 34.30 C ATOM 1349 O LEU A 84 11.361 -7.759 -0.123 1.00 51.41 O ATOM 1350 CB LEU A 84 8.040 -7.991 0.130 1.00 45.12 C ATOM 1351 CG LEU A 84 7.309 -6.600 0.189 1.00 2.11 C ATOM 1352 CD1 LEU A 84 6.239 -6.451 -0.912 1.00 74.02 C ATOM 1353 CD2 LEU A 84 6.694 -6.354 1.586 1.00 34.42 C ATOM 0 H LEU A 84 9.407 -10.094 -0.063 1.00 42.44 H new ATOM 0 HA LEU A 84 8.714 -7.945 -1.930 1.00 14.15 H new ATOM 0 HB2 LEU A 84 7.280 -8.760 -0.007 1.00 45.12 H new ATOM 0 HB3 LEU A 84 8.499 -8.166 1.103 1.00 45.12 H new ATOM 0 HG LEU A 84 8.067 -5.839 0.005 1.00 2.11 H new ATOM 0 HD11 LEU A 84 5.764 -5.474 -0.828 1.00 74.02 H new ATOM 0 HD12 LEU A 84 6.709 -6.543 -1.891 1.00 74.02 H new ATOM 0 HD13 LEU A 84 5.487 -7.231 -0.796 1.00 74.02 H new ATOM 0 HD21 LEU A 84 6.195 -5.385 1.598 1.00 34.42 H new ATOM 0 HD22 LEU A 84 5.970 -7.138 1.808 1.00 34.42 H new ATOM 0 HD23 LEU A 84 7.483 -6.365 2.338 1.00 34.42 H new ATOM 1365 N ASN A 85 10.278 -6.028 -1.110 1.00 10.13 N ATOM 1366 CA ASN A 85 11.397 -5.049 -0.960 1.00 50.11 C ATOM 1367 C ASN A 85 11.563 -4.644 0.518 1.00 4.24 C ATOM 1368 O ASN A 85 12.678 -4.341 0.958 1.00 40.53 O ATOM 1369 CB ASN A 85 11.212 -3.779 -1.862 1.00 63.33 C ATOM 1370 CG ASN A 85 12.390 -2.787 -1.802 1.00 13.55 C ATOM 1371 OD1 ASN A 85 13.533 -3.159 -1.540 1.00 45.34 O ATOM 1372 ND2 ASN A 85 12.127 -1.524 -2.088 1.00 13.22 N ATOM 0 H ASN A 85 9.446 -5.637 -1.551 1.00 10.13 H new ATOM 0 HA ASN A 85 12.305 -5.548 -1.299 1.00 50.11 H new ATOM 0 HB2 ASN A 85 11.072 -4.098 -2.895 1.00 63.33 H new ATOM 0 HB3 ASN A 85 10.301 -3.263 -1.561 1.00 63.33 H new ATOM 0 HD21 ASN A 85 12.879 -0.835 -2.095 1.00 13.22 H new ATOM 0 HD22 ASN A 85 11.172 -1.238 -2.302 1.00 13.22 H new ATOM 1379 N HIS A 86 10.427 -4.606 1.261 1.00 54.34 N ATOM 1380 CA HIS A 86 10.392 -4.350 2.730 1.00 2.41 C ATOM 1381 C HIS A 86 10.740 -2.873 3.079 1.00 52.33 C ATOM 1382 O HIS A 86 10.676 -2.469 4.238 1.00 23.03 O ATOM 1383 CB HIS A 86 11.306 -5.389 3.473 1.00 50.32 C ATOM 1384 CG HIS A 86 11.486 -5.195 4.960 1.00 2.04 C ATOM 1385 ND1 HIS A 86 10.548 -5.569 5.900 1.00 22.33 N ATOM 1386 CD2 HIS A 86 12.524 -4.673 5.669 1.00 73.44 C ATOM 1387 CE1 HIS A 86 11.000 -5.288 7.107 1.00 72.12 C ATOM 1388 NE2 HIS A 86 12.195 -4.746 6.995 1.00 30.43 N ATOM 0 H HIS A 86 9.502 -4.753 0.858 1.00 54.34 H new ATOM 0 HA HIS A 86 9.371 -4.492 3.084 1.00 2.41 H new ATOM 0 HB2 HIS A 86 10.893 -6.384 3.308 1.00 50.32 H new ATOM 0 HB3 HIS A 86 12.291 -5.371 3.006 1.00 50.32 H new ATOM 0 HD2 HIS A 86 13.440 -4.274 5.260 1.00 73.44 H new ATOM 0 HE1 HIS A 86 10.477 -5.472 8.034 1.00 72.12 H new ATOM 0 HE2 HIS A 86 12.779 -4.432 7.770 1.00 30.43 H new ATOM 1397 N ASP A 87 11.038 -2.049 2.061 1.00 15.45 N ATOM 1398 CA ASP A 87 11.481 -0.645 2.262 1.00 43.32 C ATOM 1399 C ASP A 87 10.280 0.319 2.548 1.00 0.11 C ATOM 1400 O ASP A 87 10.480 1.502 2.835 1.00 73.40 O ATOM 1401 CB ASP A 87 12.385 -0.196 1.062 1.00 31.41 C ATOM 1402 CG ASP A 87 12.941 1.237 1.187 1.00 11.43 C ATOM 1403 OD1 ASP A 87 13.881 1.457 1.980 1.00 71.42 O ATOM 1404 OD2 ASP A 87 12.465 2.145 0.462 1.00 25.13 O ATOM 0 H ASP A 87 10.982 -2.327 1.081 1.00 15.45 H new ATOM 0 HA ASP A 87 12.093 -0.591 3.162 1.00 43.32 H new ATOM 0 HB2 ASP A 87 13.220 -0.891 0.972 1.00 31.41 H new ATOM 0 HB3 ASP A 87 11.808 -0.270 0.140 1.00 31.41 H new ATOM 1409 N LEU A 88 9.030 -0.211 2.537 1.00 71.13 N ATOM 1410 CA LEU A 88 7.831 0.511 3.052 1.00 11.01 C ATOM 1411 C LEU A 88 7.151 -0.337 4.135 1.00 35.23 C ATOM 1412 O LEU A 88 5.919 -0.339 4.281 1.00 73.40 O ATOM 1413 CB LEU A 88 6.827 0.939 1.935 1.00 42.35 C ATOM 1414 CG LEU A 88 6.436 -0.121 0.846 1.00 11.02 C ATOM 1415 CD1 LEU A 88 4.984 0.070 0.363 1.00 63.54 C ATOM 1416 CD2 LEU A 88 7.387 -0.030 -0.355 1.00 63.23 C ATOM 0 H LEU A 88 8.823 -1.142 2.175 1.00 71.13 H new ATOM 0 HA LEU A 88 8.178 1.448 3.488 1.00 11.01 H new ATOM 0 HB2 LEU A 88 5.910 1.272 2.421 1.00 42.35 H new ATOM 0 HB3 LEU A 88 7.248 1.804 1.422 1.00 42.35 H new ATOM 0 HG LEU A 88 6.519 -1.105 1.307 1.00 11.02 H new ATOM 0 HD11 LEU A 88 4.749 -0.682 -0.390 1.00 63.54 H new ATOM 0 HD12 LEU A 88 4.303 -0.037 1.207 1.00 63.54 H new ATOM 0 HD13 LEU A 88 4.872 1.064 -0.070 1.00 63.54 H new ATOM 0 HD21 LEU A 88 7.102 -0.772 -1.101 1.00 63.23 H new ATOM 0 HD22 LEU A 88 7.327 0.967 -0.792 1.00 63.23 H new ATOM 0 HD23 LEU A 88 8.408 -0.220 -0.026 1.00 63.23 H new ATOM 1428 N SER A 89 7.997 -0.993 4.949 1.00 64.40 N ATOM 1429 CA SER A 89 7.564 -1.873 6.053 1.00 71.13 C ATOM 1430 C SER A 89 6.719 -1.118 7.107 1.00 70.12 C ATOM 1431 O SER A 89 5.859 -1.718 7.762 1.00 23.54 O ATOM 1432 CB SER A 89 8.797 -2.509 6.717 1.00 12.25 C ATOM 1433 OG SER A 89 8.450 -3.421 7.752 1.00 63.22 O ATOM 0 H SER A 89 9.011 -0.928 4.859 1.00 64.40 H new ATOM 0 HA SER A 89 6.928 -2.650 5.630 1.00 71.13 H new ATOM 0 HB2 SER A 89 9.385 -3.029 5.961 1.00 12.25 H new ATOM 0 HB3 SER A 89 9.430 -1.723 7.128 1.00 12.25 H new ATOM 0 HG SER A 89 9.220 -3.554 8.343 1.00 63.22 H new ATOM 1439 N GLU A 90 6.975 0.202 7.237 1.00 3.20 N ATOM 1440 CA GLU A 90 6.242 1.098 8.153 1.00 44.24 C ATOM 1441 C GLU A 90 4.756 1.200 7.726 1.00 52.53 C ATOM 1442 O GLU A 90 3.872 1.240 8.579 1.00 23.43 O ATOM 1443 CB GLU A 90 6.939 2.507 8.201 1.00 53.32 C ATOM 1444 CG GLU A 90 8.318 2.574 8.942 1.00 13.52 C ATOM 1445 CD GLU A 90 9.102 3.876 8.671 1.00 72.23 C ATOM 1446 OE1 GLU A 90 8.817 4.909 9.311 1.00 31.23 O ATOM 1447 OE2 GLU A 90 10.009 3.872 7.808 1.00 21.42 O ATOM 0 H GLU A 90 7.703 0.678 6.704 1.00 3.20 H new ATOM 0 HA GLU A 90 6.264 0.685 9.161 1.00 44.24 H new ATOM 0 HB2 GLU A 90 7.083 2.852 7.177 1.00 53.32 H new ATOM 0 HB3 GLU A 90 6.258 3.210 8.681 1.00 53.32 H new ATOM 0 HG2 GLU A 90 8.150 2.477 10.015 1.00 13.52 H new ATOM 0 HG3 GLU A 90 8.927 1.723 8.637 1.00 13.52 H new ATOM 1454 N LEU A 91 4.500 1.175 6.399 1.00 50.03 N ATOM 1455 CA LEU A 91 3.132 1.233 5.835 1.00 51.43 C ATOM 1456 C LEU A 91 2.353 -0.064 6.153 1.00 52.35 C ATOM 1457 O LEU A 91 1.167 -0.022 6.558 1.00 14.23 O ATOM 1458 CB LEU A 91 3.207 1.459 4.300 1.00 44.15 C ATOM 1459 CG LEU A 91 1.846 1.609 3.551 1.00 13.50 C ATOM 1460 CD1 LEU A 91 1.086 2.863 4.019 1.00 55.53 C ATOM 1461 CD2 LEU A 91 2.053 1.610 2.019 1.00 24.30 C ATOM 0 H LEU A 91 5.232 1.114 5.691 1.00 50.03 H new ATOM 0 HA LEU A 91 2.599 2.067 6.292 1.00 51.43 H new ATOM 0 HB2 LEU A 91 3.799 2.356 4.116 1.00 44.15 H new ATOM 0 HB3 LEU A 91 3.749 0.623 3.858 1.00 44.15 H new ATOM 0 HG LEU A 91 1.230 0.745 3.800 1.00 13.50 H new ATOM 0 HD11 LEU A 91 0.142 2.939 3.479 1.00 55.53 H new ATOM 0 HD12 LEU A 91 0.887 2.790 5.088 1.00 55.53 H new ATOM 0 HD13 LEU A 91 1.690 3.749 3.822 1.00 55.53 H new ATOM 0 HD21 LEU A 91 1.089 1.716 1.522 1.00 24.30 H new ATOM 0 HD22 LEU A 91 2.699 2.443 1.740 1.00 24.30 H new ATOM 0 HD23 LEU A 91 2.518 0.672 1.714 1.00 24.30 H new ATOM 1473 N TYR A 92 3.046 -1.213 5.991 1.00 60.41 N ATOM 1474 CA TYR A 92 2.471 -2.535 6.266 1.00 12.12 C ATOM 1475 C TYR A 92 2.098 -2.660 7.764 1.00 74.13 C ATOM 1476 O TYR A 92 1.034 -3.197 8.111 1.00 45.12 O ATOM 1477 CB TYR A 92 3.435 -3.673 5.843 1.00 72.32 C ATOM 1478 CG TYR A 92 2.916 -5.081 6.170 1.00 73.40 C ATOM 1479 CD1 TYR A 92 3.674 -5.977 6.928 1.00 61.22 C ATOM 1480 CD2 TYR A 92 1.655 -5.508 5.732 1.00 54.13 C ATOM 1481 CE1 TYR A 92 3.195 -7.235 7.237 1.00 5.14 C ATOM 1482 CE2 TYR A 92 1.176 -6.761 6.040 1.00 74.23 C ATOM 1483 CZ TYR A 92 1.949 -7.625 6.787 1.00 30.21 C ATOM 1484 OH TYR A 92 1.469 -8.885 7.091 1.00 13.21 O ATOM 0 H TYR A 92 4.013 -1.243 5.668 1.00 60.41 H new ATOM 0 HA TYR A 92 1.564 -2.636 5.671 1.00 12.12 H new ATOM 0 HB2 TYR A 92 3.616 -3.603 4.770 1.00 72.32 H new ATOM 0 HB3 TYR A 92 4.395 -3.526 6.338 1.00 72.32 H new ATOM 0 HD1 TYR A 92 4.652 -5.681 7.278 1.00 61.22 H new ATOM 0 HD2 TYR A 92 1.047 -4.840 5.141 1.00 54.13 H new ATOM 0 HE1 TYR A 92 3.793 -7.912 7.829 1.00 5.14 H new ATOM 0 HE2 TYR A 92 0.198 -7.067 5.698 1.00 74.23 H new ATOM 0 HH TYR A 92 0.890 -9.198 6.365 1.00 13.21 H new ATOM 1494 N LYS A 93 2.984 -2.129 8.626 1.00 23.33 N ATOM 1495 CA LYS A 93 2.791 -2.086 10.081 1.00 55.10 C ATOM 1496 C LYS A 93 1.597 -1.166 10.409 1.00 33.33 C ATOM 1497 O LYS A 93 0.794 -1.476 11.286 1.00 2.40 O ATOM 1498 CB LYS A 93 4.117 -1.587 10.750 1.00 35.02 C ATOM 1499 CG LYS A 93 4.246 -1.736 12.301 1.00 54.42 C ATOM 1500 CD LYS A 93 3.360 -0.784 13.142 1.00 5.11 C ATOM 1501 CE LYS A 93 3.516 0.699 12.755 1.00 45.01 C ATOM 1502 NZ LYS A 93 4.896 1.197 12.962 1.00 24.30 N ATOM 0 H LYS A 93 3.865 -1.713 8.324 1.00 23.33 H new ATOM 0 HA LYS A 93 2.563 -3.077 10.474 1.00 55.10 H new ATOM 0 HB2 LYS A 93 4.947 -2.123 10.291 1.00 35.02 H new ATOM 0 HB3 LYS A 93 4.242 -0.533 10.502 1.00 35.02 H new ATOM 0 HG2 LYS A 93 4.001 -2.763 12.571 1.00 54.42 H new ATOM 0 HG3 LYS A 93 5.288 -1.573 12.578 1.00 54.42 H new ATOM 0 HD2 LYS A 93 2.316 -1.074 13.026 1.00 5.11 H new ATOM 0 HD3 LYS A 93 3.609 -0.905 14.196 1.00 5.11 H new ATOM 0 HE2 LYS A 93 3.239 0.829 11.709 1.00 45.01 H new ATOM 0 HE3 LYS A 93 2.824 1.300 13.345 1.00 45.01 H new ATOM 0 HZ1 LYS A 93 4.948 2.199 12.687 1.00 24.30 H new ATOM 0 HZ2 LYS A 93 5.154 1.099 13.965 1.00 24.30 H new ATOM 0 HZ3 LYS A 93 5.556 0.643 12.379 1.00 24.30 H new ATOM 1516 N PHE A 94 1.513 -0.031 9.691 1.00 4.21 N ATOM 1517 CA PHE A 94 0.494 1.015 9.915 1.00 61.20 C ATOM 1518 C PHE A 94 -0.930 0.450 9.764 1.00 2.34 C ATOM 1519 O PHE A 94 -1.776 0.636 10.653 1.00 65.31 O ATOM 1520 CB PHE A 94 0.740 2.198 8.930 1.00 13.20 C ATOM 1521 CG PHE A 94 -0.326 3.297 8.920 1.00 13.44 C ATOM 1522 CD1 PHE A 94 -0.450 4.189 9.984 1.00 62.14 C ATOM 1523 CD2 PHE A 94 -1.195 3.448 7.832 1.00 32.24 C ATOM 1524 CE1 PHE A 94 -1.413 5.182 9.965 1.00 52.01 C ATOM 1525 CE2 PHE A 94 -2.154 4.443 7.819 1.00 41.43 C ATOM 1526 CZ PHE A 94 -2.260 5.310 8.885 1.00 33.33 C ATOM 0 H PHE A 94 2.156 0.189 8.931 1.00 4.21 H new ATOM 0 HA PHE A 94 0.584 1.382 10.938 1.00 61.20 H new ATOM 0 HB2 PHE A 94 1.700 2.653 9.173 1.00 13.20 H new ATOM 0 HB3 PHE A 94 0.825 1.793 7.922 1.00 13.20 H new ATOM 0 HD1 PHE A 94 0.213 4.104 10.832 1.00 62.14 H new ATOM 0 HD2 PHE A 94 -1.114 2.776 6.990 1.00 32.24 H new ATOM 0 HE1 PHE A 94 -1.502 5.860 10.801 1.00 52.01 H new ATOM 0 HE2 PHE A 94 -2.820 4.541 6.974 1.00 41.43 H new ATOM 0 HZ PHE A 94 -3.007 6.090 8.874 1.00 33.33 H new ATOM 1536 N ILE A 95 -1.172 -0.300 8.666 1.00 24.11 N ATOM 1537 CA ILE A 95 -2.520 -0.866 8.381 1.00 54.23 C ATOM 1538 C ILE A 95 -2.841 -2.076 9.307 1.00 15.14 C ATOM 1539 O ILE A 95 -3.952 -2.605 9.269 1.00 45.35 O ATOM 1540 CB ILE A 95 -2.741 -1.210 6.840 1.00 4.04 C ATOM 1541 CG1 ILE A 95 -2.113 -2.585 6.416 1.00 52.00 C ATOM 1542 CG2 ILE A 95 -2.254 -0.041 5.943 1.00 74.30 C ATOM 1543 CD1 ILE A 95 -2.007 -2.839 4.909 1.00 31.52 C ATOM 0 H ILE A 95 -0.465 -0.528 7.967 1.00 24.11 H new ATOM 0 HA ILE A 95 -3.239 -0.080 8.613 1.00 54.23 H new ATOM 0 HB ILE A 95 -3.814 -1.327 6.691 1.00 4.04 H new ATOM 0 HG12 ILE A 95 -1.114 -2.654 6.847 1.00 52.00 H new ATOM 0 HG13 ILE A 95 -2.707 -3.385 6.858 1.00 52.00 H new ATOM 0 HG21 ILE A 95 -2.414 -0.296 4.895 1.00 74.30 H new ATOM 0 HG22 ILE A 95 -2.814 0.862 6.186 1.00 74.30 H new ATOM 0 HG23 ILE A 95 -1.192 0.133 6.117 1.00 74.30 H new ATOM 0 HD11 ILE A 95 -1.559 -3.817 4.736 1.00 31.52 H new ATOM 0 HD12 ILE A 95 -3.002 -2.811 4.464 1.00 31.52 H new ATOM 0 HD13 ILE A 95 -1.384 -2.069 4.453 1.00 31.52 H new ATOM 1555 N THR A 96 -1.860 -2.493 10.155 1.00 71.02 N ATOM 1556 CA THR A 96 -2.050 -3.559 11.172 1.00 14.43 C ATOM 1557 C THR A 96 -1.829 -3.024 12.608 1.00 75.54 C ATOM 1558 O THR A 96 -1.833 -3.825 13.562 1.00 11.33 O ATOM 1559 CB THR A 96 -1.066 -4.759 10.948 1.00 43.21 C ATOM 1560 OG1 THR A 96 0.278 -4.272 10.827 1.00 0.24 O ATOM 1561 CG2 THR A 96 -1.406 -5.596 9.716 1.00 15.42 C ATOM 0 H THR A 96 -0.919 -2.099 10.151 1.00 71.02 H new ATOM 0 HA THR A 96 -3.079 -3.900 11.057 1.00 14.43 H new ATOM 0 HB THR A 96 -1.167 -5.407 11.818 1.00 43.21 H new ATOM 0 HG1 THR A 96 0.311 -3.332 11.102 1.00 0.24 H new ATOM 0 HG21 THR A 96 -0.687 -6.409 9.619 1.00 15.42 H new ATOM 0 HG22 THR A 96 -2.409 -6.009 9.822 1.00 15.42 H new ATOM 0 HG23 THR A 96 -1.365 -4.967 8.826 1.00 15.42 H new