USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=16 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 76 THR OG1 : rot 95:sc= 1.07 USER MOD Set 1.2: A 92 TYR OH : rot 18:sc= 1.07 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -173:sc= -0.597 (180deg=-0.712) USER MOD Single : A 37 THR OG1 : rot 72:sc= 0.498 USER MOD Single : A 41 LYS NZ :NH3+ -110:sc= 0.371 (180deg=-0.495) USER MOD Single : A 44 SER OG : rot 82:sc= 0.00785 USER MOD Single : A 45 GLN : amide:sc= 0.925 K(o=0.92,f=-6.7!) USER MOD Single : A 49 ASN : amide:sc=-0.000644 X(o=-0.00064,f=-0.41) USER MOD Single : A 52 ASN : amide:sc= -0.0331 K(o=-0.033,f=-0.96) USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00237) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 61 SER OG : rot -50:sc= 0.222 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0718) USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= -0.0211 (180deg=-0.199) USER MOD Single : A 81 ASN : amide:sc=-0.00314 K(o=-0.0031,f=-0.67) USER MOD Single : A 83 THR OG1 : rot -27:sc= 0.363 USER MOD Single : A 85 ASN : amide:sc=-0.00119 X(o=-0.0012,f=-0.26) USER MOD Single : A 86 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.13) USER MOD Single : A 89 SER OG : rot -92:sc= 0.151 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 21:sc= 0.896 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -6.191 8.725 6.116 1.00 65.55 N ATOM 437 CA GLU A 28 -6.015 9.053 4.684 1.00 0.31 C ATOM 438 C GLU A 28 -4.771 9.907 4.483 1.00 4.44 C ATOM 439 O GLU A 28 -3.998 9.653 3.562 1.00 4.34 O ATOM 440 CB GLU A 28 -7.242 9.776 4.065 1.00 62.11 C ATOM 441 CG GLU A 28 -8.424 8.851 3.727 1.00 34.32 C ATOM 442 CD GLU A 28 -9.455 9.524 2.820 1.00 61.30 C ATOM 443 OE1 GLU A 28 -9.921 10.617 3.177 1.00 51.10 O ATOM 444 OE2 GLU A 28 -9.801 8.971 1.749 1.00 73.22 O ATOM 0 HA GLU A 28 -5.906 8.100 4.166 1.00 0.31 H new ATOM 0 HB2 GLU A 28 -7.584 10.543 4.760 1.00 62.11 H new ATOM 0 HB3 GLU A 28 -6.926 10.288 3.156 1.00 62.11 H new ATOM 0 HG2 GLU A 28 -8.049 7.951 3.240 1.00 34.32 H new ATOM 0 HG3 GLU A 28 -8.909 8.535 4.650 1.00 34.32 H new ATOM 451 N ASN A 29 -4.578 10.907 5.370 1.00 30.42 N ATOM 452 CA ASN A 29 -3.432 11.830 5.279 1.00 31.34 C ATOM 453 C ASN A 29 -2.126 11.034 5.362 1.00 24.24 C ATOM 454 O ASN A 29 -1.284 11.146 4.476 1.00 65.11 O ATOM 455 CB ASN A 29 -3.482 12.941 6.376 1.00 42.45 C ATOM 456 CG ASN A 29 -2.255 13.865 6.388 1.00 2.41 C ATOM 457 OD1 ASN A 29 -1.664 14.168 5.353 1.00 41.14 O ATOM 458 ND2 ASN A 29 -1.857 14.309 7.564 1.00 51.24 N ATOM 0 H ASN A 29 -5.202 11.093 6.155 1.00 30.42 H new ATOM 0 HA ASN A 29 -3.483 12.341 4.317 1.00 31.34 H new ATOM 0 HB2 ASN A 29 -4.377 13.545 6.226 1.00 42.45 H new ATOM 0 HB3 ASN A 29 -3.577 12.468 7.353 1.00 42.45 H new ATOM 0 HD21 ASN A 29 -1.042 14.918 7.630 1.00 51.24 H new ATOM 0 HD22 ASN A 29 -2.364 14.043 8.408 1.00 51.24 H new ATOM 465 N GLU A 30 -2.029 10.146 6.365 1.00 4.41 N ATOM 466 CA GLU A 30 -0.779 9.437 6.672 1.00 54.15 C ATOM 467 C GLU A 30 -0.526 8.279 5.679 1.00 63.32 C ATOM 468 O GLU A 30 0.588 8.138 5.166 1.00 64.40 O ATOM 469 CB GLU A 30 -0.792 8.922 8.132 1.00 21.10 C ATOM 470 CG GLU A 30 0.534 8.278 8.592 1.00 12.33 C ATOM 471 CD GLU A 30 1.727 9.247 8.559 1.00 40.13 C ATOM 472 OE1 GLU A 30 1.934 9.979 9.548 1.00 13.35 O ATOM 473 OE2 GLU A 30 2.460 9.292 7.551 1.00 31.54 O ATOM 0 H GLU A 30 -2.806 9.902 6.979 1.00 4.41 H new ATOM 0 HA GLU A 30 0.043 10.145 6.563 1.00 54.15 H new ATOM 0 HB2 GLU A 30 -1.028 9.754 8.796 1.00 21.10 H new ATOM 0 HB3 GLU A 30 -1.594 8.191 8.240 1.00 21.10 H new ATOM 0 HG2 GLU A 30 0.412 7.898 9.606 1.00 12.33 H new ATOM 0 HG3 GLU A 30 0.754 7.421 7.955 1.00 12.33 H new ATOM 480 N LEU A 31 -1.580 7.477 5.394 1.00 25.24 N ATOM 481 CA LEU A 31 -1.464 6.307 4.447 1.00 53.11 C ATOM 482 C LEU A 31 -1.059 6.811 3.057 1.00 21.22 C ATOM 483 O LEU A 31 -0.109 6.305 2.449 1.00 45.12 O ATOM 484 CB LEU A 31 -2.791 5.431 4.307 1.00 72.32 C ATOM 485 CG LEU A 31 -2.893 4.416 3.047 1.00 25.24 C ATOM 486 CD1 LEU A 31 -2.234 3.021 3.264 1.00 62.20 C ATOM 487 CD2 LEU A 31 -4.354 4.237 2.505 1.00 62.21 C ATOM 0 H LEU A 31 -2.511 7.603 5.791 1.00 25.24 H new ATOM 0 HA LEU A 31 -0.706 5.654 4.879 1.00 53.11 H new ATOM 0 HB2 LEU A 31 -2.905 4.846 5.219 1.00 72.32 H new ATOM 0 HB3 LEU A 31 -3.640 6.113 4.258 1.00 72.32 H new ATOM 0 HG LEU A 31 -2.300 4.926 2.288 1.00 25.24 H new ATOM 0 HD11 LEU A 31 -2.356 2.417 2.365 1.00 62.20 H new ATOM 0 HD12 LEU A 31 -1.172 3.149 3.474 1.00 62.20 H new ATOM 0 HD13 LEU A 31 -2.712 2.520 4.105 1.00 62.20 H new ATOM 0 HD21 LEU A 31 -4.347 3.545 1.663 1.00 62.21 H new ATOM 0 HD22 LEU A 31 -4.989 3.839 3.296 1.00 62.21 H new ATOM 0 HD23 LEU A 31 -4.742 5.202 2.179 1.00 62.21 H new ATOM 499 N ARG A 32 -1.777 7.852 2.591 1.00 41.50 N ATOM 500 CA ARG A 32 -1.651 8.356 1.221 1.00 25.51 C ATOM 501 C ARG A 32 -0.371 9.192 1.042 1.00 22.13 C ATOM 502 O ARG A 32 0.187 9.252 -0.060 1.00 11.32 O ATOM 503 CB ARG A 32 -2.915 9.149 0.829 1.00 21.43 C ATOM 504 CG ARG A 32 -3.009 9.521 -0.656 1.00 20.11 C ATOM 505 CD ARG A 32 -4.364 10.110 -1.035 1.00 21.51 C ATOM 506 NE ARG A 32 -4.401 10.438 -2.455 1.00 13.42 N ATOM 507 CZ ARG A 32 -5.478 10.416 -3.232 1.00 33.10 C ATOM 508 NH1 ARG A 32 -6.673 10.101 -2.740 1.00 55.04 N ATOM 509 NH2 ARG A 32 -5.352 10.682 -4.518 1.00 31.44 N ATOM 0 H ARG A 32 -2.456 8.361 3.156 1.00 41.50 H new ATOM 0 HA ARG A 32 -1.563 7.504 0.547 1.00 25.51 H new ATOM 0 HB2 ARG A 32 -3.793 8.561 1.098 1.00 21.43 H new ATOM 0 HB3 ARG A 32 -2.950 10.064 1.421 1.00 21.43 H new ATOM 0 HG2 ARG A 32 -2.226 10.240 -0.896 1.00 20.11 H new ATOM 0 HG3 ARG A 32 -2.822 8.633 -1.260 1.00 20.11 H new ATOM 0 HD2 ARG A 32 -5.155 9.398 -0.800 1.00 21.51 H new ATOM 0 HD3 ARG A 32 -4.556 11.006 -0.444 1.00 21.51 H new ATOM 0 HE ARG A 32 -3.520 10.709 -2.891 1.00 13.42 H new ATOM 0 HH11 ARG A 32 -6.773 9.871 -1.751 1.00 55.04 H new ATOM 0 HH12 ARG A 32 -7.489 10.089 -3.351 1.00 55.04 H new ATOM 0 HH21 ARG A 32 -4.435 10.902 -4.906 1.00 31.44 H new ATOM 0 HH22 ARG A 32 -6.172 10.668 -5.124 1.00 31.44 H new ATOM 523 N SER A 33 0.097 9.833 2.136 1.00 31.21 N ATOM 524 CA SER A 33 1.385 10.556 2.145 1.00 63.32 C ATOM 525 C SER A 33 2.557 9.562 2.041 1.00 1.21 C ATOM 526 O SER A 33 3.506 9.791 1.295 1.00 42.42 O ATOM 527 CB SER A 33 1.504 11.402 3.426 1.00 52.33 C ATOM 528 OG SER A 33 2.651 12.229 3.436 1.00 61.04 O ATOM 0 H SER A 33 -0.401 9.863 3.026 1.00 31.21 H new ATOM 0 HA SER A 33 1.423 11.222 1.283 1.00 63.32 H new ATOM 0 HB2 SER A 33 0.614 12.023 3.529 1.00 52.33 H new ATOM 0 HB3 SER A 33 1.533 10.740 4.291 1.00 52.33 H new ATOM 0 HG SER A 33 2.676 12.744 4.269 1.00 61.04 H new ATOM 534 N MET A 34 2.459 8.431 2.771 1.00 43.34 N ATOM 535 CA MET A 34 3.491 7.366 2.736 1.00 41.14 C ATOM 536 C MET A 34 3.381 6.547 1.439 1.00 22.10 C ATOM 537 O MET A 34 4.349 5.906 1.023 1.00 14.30 O ATOM 538 CB MET A 34 3.419 6.427 3.980 1.00 2.32 C ATOM 539 CG MET A 34 3.689 7.092 5.345 1.00 25.12 C ATOM 540 SD MET A 34 3.971 5.892 6.665 1.00 40.44 S ATOM 541 CE MET A 34 2.455 4.948 6.636 1.00 15.32 C ATOM 0 H MET A 34 1.676 8.229 3.393 1.00 43.34 H new ATOM 0 HA MET A 34 4.461 7.863 2.763 1.00 41.14 H new ATOM 0 HB2 MET A 34 2.429 5.971 4.010 1.00 2.32 H new ATOM 0 HB3 MET A 34 4.138 5.619 3.843 1.00 2.32 H new ATOM 0 HG2 MET A 34 4.559 7.744 5.261 1.00 25.12 H new ATOM 0 HG3 MET A 34 2.842 7.724 5.610 1.00 25.12 H new ATOM 0 HE1 MET A 34 2.441 4.256 7.478 1.00 15.32 H new ATOM 0 HE2 MET A 34 1.604 5.625 6.708 1.00 15.32 H new ATOM 0 HE3 MET A 34 2.394 4.386 5.704 1.00 15.32 H new ATOM 551 N LEU A 35 2.195 6.579 0.806 1.00 1.11 N ATOM 552 CA LEU A 35 1.982 5.934 -0.514 1.00 34.04 C ATOM 553 C LEU A 35 2.672 6.819 -1.577 1.00 54.03 C ATOM 554 O LEU A 35 3.343 6.296 -2.457 1.00 72.43 O ATOM 555 CB LEU A 35 0.448 5.695 -0.808 1.00 12.00 C ATOM 556 CG LEU A 35 0.023 4.550 -1.812 1.00 52.41 C ATOM 557 CD1 LEU A 35 -1.474 4.185 -1.637 1.00 73.24 C ATOM 558 CD2 LEU A 35 0.314 4.929 -3.280 1.00 52.12 C ATOM 0 H LEU A 35 1.367 7.042 1.181 1.00 1.11 H new ATOM 0 HA LEU A 35 2.425 4.938 -0.532 1.00 34.04 H new ATOM 0 HB2 LEU A 35 -0.041 5.493 0.145 1.00 12.00 H new ATOM 0 HB3 LEU A 35 0.037 6.631 -1.185 1.00 12.00 H new ATOM 0 HG LEU A 35 0.628 3.676 -1.570 1.00 52.41 H new ATOM 0 HD11 LEU A 35 -1.740 3.395 -2.339 1.00 73.24 H new ATOM 0 HD12 LEU A 35 -1.647 3.838 -0.618 1.00 73.24 H new ATOM 0 HD13 LEU A 35 -2.088 5.065 -1.830 1.00 73.24 H new ATOM 0 HD21 LEU A 35 0.006 4.113 -3.934 1.00 52.12 H new ATOM 0 HD22 LEU A 35 -0.240 5.831 -3.540 1.00 52.12 H new ATOM 0 HD23 LEU A 35 1.382 5.110 -3.404 1.00 52.12 H new ATOM 570 N ALA A 36 2.563 8.166 -1.412 1.00 22.41 N ATOM 571 CA ALA A 36 3.288 9.157 -2.241 1.00 64.23 C ATOM 572 C ALA A 36 4.806 8.936 -2.147 1.00 32.34 C ATOM 573 O ALA A 36 5.517 8.973 -3.157 1.00 31.43 O ATOM 574 CB ALA A 36 2.934 10.592 -1.805 1.00 35.35 C ATOM 0 H ALA A 36 1.969 8.590 -0.700 1.00 22.41 H new ATOM 0 HA ALA A 36 2.980 9.021 -3.278 1.00 64.23 H new ATOM 0 HB1 ALA A 36 3.476 11.305 -2.426 1.00 35.35 H new ATOM 0 HB2 ALA A 36 1.862 10.753 -1.920 1.00 35.35 H new ATOM 0 HB3 ALA A 36 3.213 10.734 -0.761 1.00 35.35 H new ATOM 580 N THR A 37 5.267 8.694 -0.902 1.00 53.51 N ATOM 581 CA THR A 37 6.664 8.351 -0.594 1.00 1.40 C ATOM 582 C THR A 37 7.081 7.078 -1.336 1.00 54.21 C ATOM 583 O THR A 37 8.103 7.057 -1.998 1.00 53.22 O ATOM 584 CB THR A 37 6.858 8.140 0.941 1.00 41.33 C ATOM 585 OG1 THR A 37 6.421 9.317 1.627 1.00 53.21 O ATOM 586 CG2 THR A 37 8.321 7.817 1.335 1.00 61.44 C ATOM 0 H THR A 37 4.670 8.733 -0.076 1.00 53.51 H new ATOM 0 HA THR A 37 7.290 9.181 -0.921 1.00 1.40 H new ATOM 0 HB THR A 37 6.263 7.274 1.229 1.00 41.33 H new ATOM 0 HG1 THR A 37 5.444 9.376 1.585 1.00 53.21 H new ATOM 0 HG21 THR A 37 8.386 7.682 2.415 1.00 61.44 H new ATOM 0 HG22 THR A 37 8.639 6.902 0.835 1.00 61.44 H new ATOM 0 HG23 THR A 37 8.969 8.639 1.032 1.00 61.44 H new ATOM 594 N ALA A 38 6.229 6.035 -1.240 1.00 25.14 N ATOM 595 CA ALA A 38 6.514 4.701 -1.798 1.00 20.40 C ATOM 596 C ALA A 38 6.447 4.685 -3.340 1.00 63.32 C ATOM 597 O ALA A 38 7.031 3.801 -3.962 1.00 70.42 O ATOM 598 CB ALA A 38 5.586 3.651 -1.171 1.00 54.40 C ATOM 0 H ALA A 38 5.324 6.097 -0.773 1.00 25.14 H new ATOM 0 HA ALA A 38 7.541 4.444 -1.539 1.00 20.40 H new ATOM 0 HB1 ALA A 38 5.808 2.671 -1.593 1.00 54.40 H new ATOM 0 HB2 ALA A 38 5.742 3.626 -0.092 1.00 54.40 H new ATOM 0 HB3 ALA A 38 4.548 3.910 -1.382 1.00 54.40 H new ATOM 604 N LEU A 39 5.744 5.667 -3.946 1.00 12.11 N ATOM 605 CA LEU A 39 5.750 5.866 -5.419 1.00 50.15 C ATOM 606 C LEU A 39 7.094 6.493 -5.863 1.00 12.33 C ATOM 607 O LEU A 39 7.551 6.264 -6.989 1.00 14.21 O ATOM 608 CB LEU A 39 4.571 6.782 -5.888 1.00 1.23 C ATOM 609 CG LEU A 39 3.095 6.345 -5.561 1.00 22.32 C ATOM 610 CD1 LEU A 39 2.117 7.527 -5.743 1.00 23.12 C ATOM 611 CD2 LEU A 39 2.633 5.117 -6.386 1.00 44.33 C ATOM 0 H LEU A 39 5.164 6.336 -3.441 1.00 12.11 H new ATOM 0 HA LEU A 39 5.623 4.887 -5.881 1.00 50.15 H new ATOM 0 HB2 LEU A 39 4.727 7.769 -5.453 1.00 1.23 H new ATOM 0 HB3 LEU A 39 4.650 6.894 -6.969 1.00 1.23 H new ATOM 0 HG LEU A 39 3.087 6.040 -4.515 1.00 22.32 H new ATOM 0 HD11 LEU A 39 1.103 7.200 -5.511 1.00 23.12 H new ATOM 0 HD12 LEU A 39 2.399 8.339 -5.072 1.00 23.12 H new ATOM 0 HD13 LEU A 39 2.158 7.878 -6.774 1.00 23.12 H new ATOM 0 HD21 LEU A 39 1.608 4.863 -6.117 1.00 44.33 H new ATOM 0 HD22 LEU A 39 2.681 5.354 -7.449 1.00 44.33 H new ATOM 0 HD23 LEU A 39 3.285 4.270 -6.173 1.00 44.33 H new ATOM 623 N GLU A 40 7.700 7.313 -4.980 1.00 34.54 N ATOM 624 CA GLU A 40 9.047 7.888 -5.196 1.00 32.32 C ATOM 625 C GLU A 40 10.126 6.853 -4.843 1.00 40.12 C ATOM 626 O GLU A 40 11.228 6.881 -5.405 1.00 34.42 O ATOM 627 CB GLU A 40 9.244 9.172 -4.341 1.00 5.44 C ATOM 628 CG GLU A 40 8.194 10.267 -4.579 1.00 22.42 C ATOM 629 CD GLU A 40 8.175 10.815 -6.016 1.00 61.30 C ATOM 630 OE1 GLU A 40 8.941 11.755 -6.317 1.00 61.31 O ATOM 631 OE2 GLU A 40 7.385 10.318 -6.844 1.00 63.11 O ATOM 0 H GLU A 40 7.272 7.596 -4.098 1.00 34.54 H new ATOM 0 HA GLU A 40 9.139 8.157 -6.248 1.00 32.32 H new ATOM 0 HB2 GLU A 40 9.229 8.896 -3.287 1.00 5.44 H new ATOM 0 HB3 GLU A 40 10.232 9.583 -4.549 1.00 5.44 H new ATOM 0 HG2 GLU A 40 7.208 9.868 -4.340 1.00 22.42 H new ATOM 0 HG3 GLU A 40 8.380 11.091 -3.890 1.00 22.42 H new ATOM 638 N LYS A 41 9.792 5.950 -3.901 1.00 14.13 N ATOM 639 CA LYS A 41 10.679 4.866 -3.471 1.00 30.24 C ATOM 640 C LYS A 41 10.681 3.778 -4.536 1.00 24.22 C ATOM 641 O LYS A 41 9.618 3.389 -5.026 1.00 11.14 O ATOM 642 CB LYS A 41 10.229 4.271 -2.113 1.00 74.22 C ATOM 643 CG LYS A 41 10.439 5.183 -0.887 1.00 22.42 C ATOM 644 CD LYS A 41 11.926 5.636 -0.716 1.00 70.01 C ATOM 645 CE LYS A 41 12.332 5.974 0.738 1.00 72.42 C ATOM 646 NZ LYS A 41 12.085 4.835 1.655 1.00 33.31 N ATOM 0 H LYS A 41 8.894 5.957 -3.418 1.00 14.13 H new ATOM 0 HA LYS A 41 11.683 5.269 -3.340 1.00 30.24 H new ATOM 0 HB2 LYS A 41 9.171 4.019 -2.179 1.00 74.22 H new ATOM 0 HB3 LYS A 41 10.769 3.339 -1.948 1.00 74.22 H new ATOM 0 HG2 LYS A 41 9.804 6.064 -0.982 1.00 22.42 H new ATOM 0 HG3 LYS A 41 10.119 4.655 0.012 1.00 22.42 H new ATOM 0 HD2 LYS A 41 12.578 4.845 -1.087 1.00 70.01 H new ATOM 0 HD3 LYS A 41 12.100 6.512 -1.341 1.00 70.01 H new ATOM 0 HE2 LYS A 41 13.388 6.243 0.768 1.00 72.42 H new ATOM 0 HE3 LYS A 41 11.772 6.844 1.079 1.00 72.42 H new ATOM 0 HZ1 LYS A 41 11.294 5.066 2.290 1.00 33.31 H new ATOM 0 HZ2 LYS A 41 11.848 3.988 1.100 1.00 33.31 H new ATOM 0 HZ3 LYS A 41 12.940 4.651 2.219 1.00 33.31 H new ATOM 660 N ASP A 42 11.879 3.306 -4.880 1.00 34.43 N ATOM 661 CA ASP A 42 12.086 2.339 -5.964 1.00 43.14 C ATOM 662 C ASP A 42 11.413 0.996 -5.607 1.00 30.32 C ATOM 663 O ASP A 42 11.968 0.173 -4.873 1.00 15.12 O ATOM 664 CB ASP A 42 13.607 2.177 -6.261 1.00 45.54 C ATOM 665 CG ASP A 42 13.916 1.189 -7.400 1.00 51.32 C ATOM 666 OD1 ASP A 42 14.379 0.064 -7.125 1.00 72.23 O ATOM 667 OD2 ASP A 42 13.706 1.538 -8.577 1.00 43.42 O ATOM 0 H ASP A 42 12.741 3.585 -4.412 1.00 34.43 H new ATOM 0 HA ASP A 42 11.618 2.708 -6.877 1.00 43.14 H new ATOM 0 HB2 ASP A 42 14.024 3.152 -6.515 1.00 45.54 H new ATOM 0 HB3 ASP A 42 14.111 1.841 -5.355 1.00 45.54 H new ATOM 672 N ILE A 43 10.165 0.851 -6.074 1.00 75.12 N ATOM 673 CA ILE A 43 9.329 -0.343 -5.862 1.00 51.42 C ATOM 674 C ILE A 43 9.396 -1.242 -7.104 1.00 62.34 C ATOM 675 O ILE A 43 9.545 -0.761 -8.238 1.00 64.11 O ATOM 676 CB ILE A 43 7.818 0.035 -5.510 1.00 42.32 C ATOM 677 CG1 ILE A 43 7.215 1.067 -6.536 1.00 34.22 C ATOM 678 CG2 ILE A 43 7.705 0.542 -4.050 1.00 74.54 C ATOM 679 CD1 ILE A 43 5.862 1.670 -6.172 1.00 51.41 C ATOM 0 H ILE A 43 9.697 1.574 -6.621 1.00 75.12 H new ATOM 0 HA ILE A 43 9.722 -0.885 -5.002 1.00 51.42 H new ATOM 0 HB ILE A 43 7.221 -0.873 -5.596 1.00 42.32 H new ATOM 0 HG12 ILE A 43 7.929 1.881 -6.663 1.00 34.22 H new ATOM 0 HG13 ILE A 43 7.120 0.573 -7.503 1.00 34.22 H new ATOM 0 HG21 ILE A 43 6.667 0.794 -3.832 1.00 74.54 H new ATOM 0 HG22 ILE A 43 8.041 -0.238 -3.367 1.00 74.54 H new ATOM 0 HG23 ILE A 43 8.328 1.428 -3.923 1.00 74.54 H new ATOM 0 HD11 ILE A 43 5.551 2.364 -6.953 1.00 51.41 H new ATOM 0 HD12 ILE A 43 5.123 0.875 -6.078 1.00 51.41 H new ATOM 0 HD13 ILE A 43 5.944 2.203 -5.225 1.00 51.41 H new ATOM 691 N SER A 44 9.311 -2.547 -6.855 1.00 51.01 N ATOM 692 CA SER A 44 9.326 -3.597 -7.889 1.00 13.12 C ATOM 693 C SER A 44 7.948 -3.637 -8.590 1.00 22.02 C ATOM 694 O SER A 44 6.956 -3.216 -7.983 1.00 31.15 O ATOM 695 CB SER A 44 9.693 -4.949 -7.210 1.00 75.34 C ATOM 696 OG SER A 44 10.809 -4.772 -6.350 1.00 3.10 O ATOM 0 H SER A 44 9.228 -2.920 -5.909 1.00 51.01 H new ATOM 0 HA SER A 44 10.072 -3.393 -8.657 1.00 13.12 H new ATOM 0 HB2 SER A 44 8.841 -5.323 -6.642 1.00 75.34 H new ATOM 0 HB3 SER A 44 9.923 -5.696 -7.969 1.00 75.34 H new ATOM 0 HG SER A 44 10.507 -4.403 -5.494 1.00 3.10 H new ATOM 702 N GLN A 45 7.917 -4.089 -9.875 1.00 61.45 N ATOM 703 CA GLN A 45 6.706 -4.125 -10.738 1.00 34.42 C ATOM 704 C GLN A 45 5.404 -4.549 -10.000 1.00 61.21 C ATOM 705 O GLN A 45 4.362 -3.911 -10.181 1.00 4.42 O ATOM 706 CB GLN A 45 6.985 -5.028 -11.990 1.00 45.41 C ATOM 707 CG GLN A 45 5.778 -5.329 -12.927 1.00 61.35 C ATOM 708 CD GLN A 45 5.196 -4.127 -13.685 1.00 42.03 C ATOM 709 OE1 GLN A 45 5.216 -2.984 -13.226 1.00 45.32 O ATOM 710 NE2 GLN A 45 4.642 -4.392 -14.856 1.00 52.41 N ATOM 0 H GLN A 45 8.749 -4.444 -10.346 1.00 61.45 H new ATOM 0 HA GLN A 45 6.513 -3.101 -11.057 1.00 34.42 H new ATOM 0 HB2 GLN A 45 7.765 -4.552 -12.584 1.00 45.41 H new ATOM 0 HB3 GLN A 45 7.387 -5.979 -11.639 1.00 45.41 H new ATOM 0 HG2 GLN A 45 6.088 -6.077 -13.656 1.00 61.35 H new ATOM 0 HG3 GLN A 45 4.983 -5.776 -12.330 1.00 61.35 H new ATOM 0 HE21 GLN A 45 4.638 -5.347 -15.214 1.00 52.41 H new ATOM 0 HE22 GLN A 45 4.218 -3.641 -15.401 1.00 52.41 H new ATOM 719 N GLU A 46 5.493 -5.570 -9.126 1.00 13.34 N ATOM 720 CA GLU A 46 4.330 -6.131 -8.399 1.00 62.24 C ATOM 721 C GLU A 46 3.812 -5.174 -7.301 1.00 51.33 C ATOM 722 O GLU A 46 2.601 -5.085 -7.062 1.00 60.23 O ATOM 723 CB GLU A 46 4.682 -7.513 -7.775 1.00 23.22 C ATOM 724 CG GLU A 46 4.924 -8.659 -8.788 1.00 14.31 C ATOM 725 CD GLU A 46 6.227 -8.532 -9.597 1.00 43.33 C ATOM 726 OE1 GLU A 46 6.178 -8.189 -10.799 1.00 55.14 O ATOM 727 OE2 GLU A 46 7.310 -8.779 -9.033 1.00 51.23 O ATOM 0 H GLU A 46 6.374 -6.032 -8.901 1.00 13.34 H new ATOM 0 HA GLU A 46 3.533 -6.261 -9.131 1.00 62.24 H new ATOM 0 HB2 GLU A 46 5.576 -7.398 -7.162 1.00 23.22 H new ATOM 0 HB3 GLU A 46 3.873 -7.807 -7.107 1.00 23.22 H new ATOM 0 HG2 GLU A 46 4.937 -9.606 -8.249 1.00 14.31 H new ATOM 0 HG3 GLU A 46 4.083 -8.698 -9.481 1.00 14.31 H new ATOM 734 N GLU A 47 4.746 -4.464 -6.651 1.00 64.53 N ATOM 735 CA GLU A 47 4.443 -3.488 -5.584 1.00 5.41 C ATOM 736 C GLU A 47 3.846 -2.212 -6.199 1.00 54.13 C ATOM 737 O GLU A 47 2.956 -1.586 -5.605 1.00 73.40 O ATOM 738 CB GLU A 47 5.729 -3.137 -4.778 1.00 30.21 C ATOM 739 CG GLU A 47 6.449 -4.311 -4.087 1.00 51.11 C ATOM 740 CD GLU A 47 7.755 -3.868 -3.409 1.00 1.13 C ATOM 741 OE1 GLU A 47 8.747 -3.650 -4.135 1.00 13.13 O ATOM 742 OE2 GLU A 47 7.805 -3.748 -2.161 1.00 54.03 O ATOM 0 H GLU A 47 5.743 -4.549 -6.850 1.00 64.53 H new ATOM 0 HA GLU A 47 3.719 -3.933 -4.902 1.00 5.41 H new ATOM 0 HB2 GLU A 47 6.435 -2.655 -5.454 1.00 30.21 H new ATOM 0 HB3 GLU A 47 5.465 -2.403 -4.017 1.00 30.21 H new ATOM 0 HG2 GLU A 47 5.787 -4.755 -3.343 1.00 51.11 H new ATOM 0 HG3 GLU A 47 6.667 -5.086 -4.822 1.00 51.11 H new ATOM 749 N ARG A 48 4.344 -1.840 -7.407 1.00 51.15 N ATOM 750 CA ARG A 48 3.806 -0.702 -8.174 1.00 11.05 C ATOM 751 C ARG A 48 2.365 -1.010 -8.608 1.00 11.23 C ATOM 752 O ARG A 48 1.507 -0.136 -8.531 1.00 42.32 O ATOM 753 CB ARG A 48 4.703 -0.340 -9.392 1.00 20.22 C ATOM 754 CG ARG A 48 4.235 0.913 -10.177 1.00 13.20 C ATOM 755 CD ARG A 48 5.201 1.344 -11.303 1.00 54.24 C ATOM 756 NE ARG A 48 5.494 0.269 -12.274 1.00 43.35 N ATOM 757 CZ ARG A 48 6.340 0.379 -13.320 1.00 64.14 C ATOM 758 NH1 ARG A 48 7.017 1.509 -13.560 1.00 23.23 N ATOM 759 NH2 ARG A 48 6.524 -0.657 -14.131 1.00 40.01 N ATOM 0 H ARG A 48 5.120 -2.318 -7.866 1.00 51.15 H new ATOM 0 HA ARG A 48 3.802 0.175 -7.527 1.00 11.05 H new ATOM 0 HB2 ARG A 48 5.722 -0.176 -9.042 1.00 20.22 H new ATOM 0 HB3 ARG A 48 4.733 -1.191 -10.073 1.00 20.22 H new ATOM 0 HG2 ARG A 48 3.255 0.713 -10.610 1.00 13.20 H new ATOM 0 HG3 ARG A 48 4.113 1.742 -9.480 1.00 13.20 H new ATOM 0 HD2 ARG A 48 4.772 2.194 -11.833 1.00 54.24 H new ATOM 0 HD3 ARG A 48 6.136 1.685 -10.858 1.00 54.24 H new ATOM 0 HE ARG A 48 5.020 -0.625 -12.144 1.00 43.35 H new ATOM 0 HH11 ARG A 48 6.900 2.314 -12.945 1.00 23.23 H new ATOM 0 HH12 ARG A 48 7.650 1.565 -14.358 1.00 23.23 H new ATOM 0 HH21 ARG A 48 6.027 -1.531 -13.962 1.00 40.01 H new ATOM 0 HH22 ARG A 48 7.162 -0.578 -14.923 1.00 40.01 H new ATOM 773 N ASN A 49 2.105 -2.279 -9.005 1.00 33.33 N ATOM 774 CA ASN A 49 0.736 -2.763 -9.292 1.00 13.51 C ATOM 775 C ASN A 49 -0.169 -2.539 -8.062 1.00 3.04 C ATOM 776 O ASN A 49 -1.196 -1.882 -8.166 1.00 61.35 O ATOM 777 CB ASN A 49 0.714 -4.278 -9.678 1.00 74.33 C ATOM 778 CG ASN A 49 1.176 -4.617 -11.101 1.00 42.44 C ATOM 779 OD1 ASN A 49 2.021 -3.953 -11.695 1.00 12.42 O ATOM 780 ND2 ASN A 49 0.609 -5.673 -11.661 1.00 54.12 N ATOM 0 H ASN A 49 2.829 -2.986 -9.134 1.00 33.33 H new ATOM 0 HA ASN A 49 0.364 -2.194 -10.144 1.00 13.51 H new ATOM 0 HB2 ASN A 49 1.344 -4.821 -8.974 1.00 74.33 H new ATOM 0 HB3 ASN A 49 -0.302 -4.651 -9.549 1.00 74.33 H new ATOM 0 HD21 ASN A 49 0.871 -5.951 -12.607 1.00 54.12 H new ATOM 0 HD22 ASN A 49 -0.091 -6.209 -11.147 1.00 54.12 H new ATOM 787 N ALA A 50 0.294 -3.036 -6.893 1.00 35.43 N ATOM 788 CA ALA A 50 -0.478 -3.040 -5.631 1.00 63.45 C ATOM 789 C ALA A 50 -0.899 -1.623 -5.182 1.00 42.44 C ATOM 790 O ALA A 50 -2.059 -1.402 -4.806 1.00 40.54 O ATOM 791 CB ALA A 50 0.336 -3.732 -4.522 1.00 5.35 C ATOM 0 H ALA A 50 1.222 -3.449 -6.799 1.00 35.43 H new ATOM 0 HA ALA A 50 -1.397 -3.596 -5.817 1.00 63.45 H new ATOM 0 HB1 ALA A 50 -0.238 -3.732 -3.595 1.00 5.35 H new ATOM 0 HB2 ALA A 50 0.551 -4.760 -4.816 1.00 5.35 H new ATOM 0 HB3 ALA A 50 1.272 -3.195 -4.369 1.00 5.35 H new ATOM 797 N LEU A 51 0.051 -0.663 -5.226 1.00 0.01 N ATOM 798 CA LEU A 51 -0.202 0.729 -4.786 1.00 50.12 C ATOM 799 C LEU A 51 -0.988 1.537 -5.855 1.00 43.43 C ATOM 800 O LEU A 51 -1.717 2.480 -5.504 1.00 13.22 O ATOM 801 CB LEU A 51 1.132 1.449 -4.397 1.00 74.41 C ATOM 802 CG LEU A 51 2.046 0.788 -3.289 1.00 13.33 C ATOM 803 CD1 LEU A 51 3.288 1.667 -3.009 1.00 13.11 C ATOM 804 CD2 LEU A 51 1.300 0.491 -1.958 1.00 44.54 C ATOM 0 H LEU A 51 1.000 -0.826 -5.562 1.00 0.01 H new ATOM 0 HA LEU A 51 -0.828 0.680 -3.895 1.00 50.12 H new ATOM 0 HB2 LEU A 51 1.730 1.553 -5.302 1.00 74.41 H new ATOM 0 HB3 LEU A 51 0.881 2.456 -4.064 1.00 74.41 H new ATOM 0 HG LEU A 51 2.355 -0.175 -3.696 1.00 13.33 H new ATOM 0 HD11 LEU A 51 3.903 1.194 -2.244 1.00 13.11 H new ATOM 0 HD12 LEU A 51 3.869 1.778 -3.925 1.00 13.11 H new ATOM 0 HD13 LEU A 51 2.968 2.649 -2.661 1.00 13.11 H new ATOM 0 HD21 LEU A 51 1.991 0.039 -1.247 1.00 44.54 H new ATOM 0 HD22 LEU A 51 0.910 1.421 -1.544 1.00 44.54 H new ATOM 0 HD23 LEU A 51 0.475 -0.195 -2.149 1.00 44.54 H new ATOM 816 N ASN A 52 -0.857 1.159 -7.152 1.00 65.45 N ATOM 817 CA ASN A 52 -1.703 1.733 -8.233 1.00 31.34 C ATOM 818 C ASN A 52 -3.164 1.269 -8.078 1.00 35.42 C ATOM 819 O ASN A 52 -4.098 2.051 -8.295 1.00 42.51 O ATOM 820 CB ASN A 52 -1.173 1.390 -9.659 1.00 33.42 C ATOM 821 CG ASN A 52 0.069 2.197 -10.056 1.00 23.35 C ATOM 822 OD1 ASN A 52 0.963 2.453 -9.243 1.00 40.35 O ATOM 823 ND2 ASN A 52 0.106 2.663 -11.297 1.00 55.23 N ATOM 0 H ASN A 52 -0.181 0.466 -7.474 1.00 65.45 H new ATOM 0 HA ASN A 52 -1.655 2.817 -8.129 1.00 31.34 H new ATOM 0 HB2 ASN A 52 -0.937 0.327 -9.705 1.00 33.42 H new ATOM 0 HB3 ASN A 52 -1.964 1.573 -10.386 1.00 33.42 H new ATOM 0 HD21 ASN A 52 0.885 3.247 -11.599 1.00 55.23 H new ATOM 0 HD22 ASN A 52 -0.645 2.437 -11.949 1.00 55.23 H new ATOM 830 N ILE A 53 -3.334 -0.001 -7.648 1.00 34.32 N ATOM 831 CA ILE A 53 -4.653 -0.601 -7.368 1.00 22.11 C ATOM 832 C ILE A 53 -5.294 0.136 -6.179 1.00 10.52 C ATOM 833 O ILE A 53 -6.479 0.483 -6.216 1.00 23.14 O ATOM 834 CB ILE A 53 -4.540 -2.152 -7.070 1.00 10.31 C ATOM 835 CG1 ILE A 53 -4.109 -2.932 -8.360 1.00 24.33 C ATOM 836 CG2 ILE A 53 -5.854 -2.728 -6.473 1.00 73.24 C ATOM 837 CD1 ILE A 53 -3.857 -4.414 -8.154 1.00 54.42 C ATOM 0 H ILE A 53 -2.555 -0.639 -7.485 1.00 34.32 H new ATOM 0 HA ILE A 53 -5.282 -0.493 -8.252 1.00 22.11 H new ATOM 0 HB ILE A 53 -3.766 -2.286 -6.314 1.00 10.31 H new ATOM 0 HG12 ILE A 53 -4.885 -2.812 -9.116 1.00 24.33 H new ATOM 0 HG13 ILE A 53 -3.202 -2.476 -8.757 1.00 24.33 H new ATOM 0 HG21 ILE A 53 -5.731 -3.794 -6.284 1.00 73.24 H new ATOM 0 HG22 ILE A 53 -6.083 -2.218 -5.537 1.00 73.24 H new ATOM 0 HG23 ILE A 53 -6.671 -2.576 -7.178 1.00 73.24 H new ATOM 0 HD11 ILE A 53 -3.564 -4.868 -9.101 1.00 54.42 H new ATOM 0 HD12 ILE A 53 -3.059 -4.549 -7.424 1.00 54.42 H new ATOM 0 HD13 ILE A 53 -4.767 -4.890 -7.789 1.00 54.42 H new ATOM 849 N ALA A 54 -4.454 0.406 -5.155 1.00 15.55 N ATOM 850 CA ALA A 54 -4.852 1.133 -3.941 1.00 53.34 C ATOM 851 C ALA A 54 -5.424 2.525 -4.287 1.00 32.10 C ATOM 852 O ALA A 54 -6.585 2.797 -3.990 1.00 61.14 O ATOM 853 CB ALA A 54 -3.663 1.249 -2.963 1.00 74.05 C ATOM 0 H ALA A 54 -3.475 0.121 -5.153 1.00 15.55 H new ATOM 0 HA ALA A 54 -5.642 0.565 -3.450 1.00 53.34 H new ATOM 0 HB1 ALA A 54 -3.977 1.790 -2.071 1.00 74.05 H new ATOM 0 HB2 ALA A 54 -3.324 0.252 -2.682 1.00 74.05 H new ATOM 0 HB3 ALA A 54 -2.847 1.787 -3.445 1.00 74.05 H new ATOM 859 N GLU A 55 -4.623 3.350 -5.013 1.00 31.51 N ATOM 860 CA GLU A 55 -4.950 4.778 -5.271 1.00 62.40 C ATOM 861 C GLU A 55 -6.140 4.938 -6.230 1.00 64.32 C ATOM 862 O GLU A 55 -7.021 5.783 -5.993 1.00 42.22 O ATOM 863 CB GLU A 55 -3.723 5.539 -5.826 1.00 62.04 C ATOM 864 CG GLU A 55 -3.983 7.030 -6.158 1.00 33.44 C ATOM 865 CD GLU A 55 -2.760 7.719 -6.759 1.00 42.10 C ATOM 866 OE1 GLU A 55 -2.799 8.113 -7.948 1.00 32.20 O ATOM 867 OE2 GLU A 55 -1.736 7.838 -6.054 1.00 70.43 O ATOM 0 H GLU A 55 -3.743 3.048 -5.431 1.00 31.51 H new ATOM 0 HA GLU A 55 -5.233 5.210 -4.311 1.00 62.40 H new ATOM 0 HB2 GLU A 55 -2.915 5.479 -5.097 1.00 62.04 H new ATOM 0 HB3 GLU A 55 -3.377 5.035 -6.728 1.00 62.04 H new ATOM 0 HG2 GLU A 55 -4.817 7.103 -6.857 1.00 33.44 H new ATOM 0 HG3 GLU A 55 -4.281 7.554 -5.250 1.00 33.44 H new ATOM 874 N LYS A 56 -6.165 4.112 -7.305 1.00 13.11 N ATOM 875 CA LYS A 56 -7.262 4.136 -8.298 1.00 72.24 C ATOM 876 C LYS A 56 -8.601 3.789 -7.620 1.00 5.42 C ATOM 877 O LYS A 56 -9.666 4.257 -8.038 1.00 14.55 O ATOM 878 CB LYS A 56 -6.996 3.175 -9.494 1.00 3.23 C ATOM 879 CG LYS A 56 -5.896 3.613 -10.489 1.00 12.22 C ATOM 880 CD LYS A 56 -5.652 2.564 -11.612 1.00 12.22 C ATOM 881 CE LYS A 56 -6.912 2.249 -12.445 1.00 10.45 C ATOM 882 NZ LYS A 56 -7.493 3.465 -13.078 1.00 71.54 N ATOM 0 H LYS A 56 -5.439 3.424 -7.504 1.00 13.11 H new ATOM 0 HA LYS A 56 -7.312 5.147 -8.702 1.00 72.24 H new ATOM 0 HB2 LYS A 56 -6.727 2.197 -9.095 1.00 3.23 H new ATOM 0 HB3 LYS A 56 -7.927 3.049 -10.046 1.00 3.23 H new ATOM 0 HG2 LYS A 56 -6.178 4.564 -10.941 1.00 12.22 H new ATOM 0 HG3 LYS A 56 -4.966 3.781 -9.946 1.00 12.22 H new ATOM 0 HD2 LYS A 56 -4.869 2.930 -12.276 1.00 12.22 H new ATOM 0 HD3 LYS A 56 -5.283 1.642 -11.163 1.00 12.22 H new ATOM 0 HE2 LYS A 56 -6.660 1.525 -13.220 1.00 10.45 H new ATOM 0 HE3 LYS A 56 -7.661 1.783 -11.804 1.00 10.45 H new ATOM 0 HZ1 LYS A 56 -8.327 3.199 -13.640 1.00 71.54 H new ATOM 0 HZ2 LYS A 56 -7.775 4.140 -12.339 1.00 71.54 H new ATOM 0 HZ3 LYS A 56 -6.784 3.906 -13.698 1.00 71.54 H new ATOM 896 N ALA A 57 -8.515 2.970 -6.552 1.00 21.43 N ATOM 897 CA ALA A 57 -9.670 2.537 -5.768 1.00 11.24 C ATOM 898 C ALA A 57 -10.038 3.566 -4.682 1.00 25.44 C ATOM 899 O ALA A 57 -11.207 3.659 -4.315 1.00 61.35 O ATOM 900 CB ALA A 57 -9.399 1.158 -5.159 1.00 2.12 C ATOM 0 H ALA A 57 -7.630 2.592 -6.214 1.00 21.43 H new ATOM 0 HA ALA A 57 -10.529 2.462 -6.435 1.00 11.24 H new ATOM 0 HB1 ALA A 57 -10.264 0.841 -4.576 1.00 2.12 H new ATOM 0 HB2 ALA A 57 -9.215 0.438 -5.956 1.00 2.12 H new ATOM 0 HB3 ALA A 57 -8.524 1.212 -4.511 1.00 2.12 H new ATOM 906 N LEU A 58 -9.042 4.328 -4.154 1.00 52.41 N ATOM 907 CA LEU A 58 -9.319 5.439 -3.195 1.00 33.52 C ATOM 908 C LEU A 58 -10.127 6.540 -3.926 1.00 41.25 C ATOM 909 O LEU A 58 -11.028 7.156 -3.338 1.00 34.33 O ATOM 910 CB LEU A 58 -8.007 6.079 -2.577 1.00 31.35 C ATOM 911 CG LEU A 58 -6.867 5.134 -1.915 1.00 50.52 C ATOM 912 CD1 LEU A 58 -5.669 5.920 -1.272 1.00 75.24 C ATOM 913 CD2 LEU A 58 -7.384 4.061 -0.893 1.00 74.32 C ATOM 0 H LEU A 58 -8.054 4.198 -4.370 1.00 52.41 H new ATOM 0 HA LEU A 58 -9.883 5.014 -2.365 1.00 33.52 H new ATOM 0 HB2 LEU A 58 -7.528 6.657 -3.367 1.00 31.35 H new ATOM 0 HB3 LEU A 58 -8.324 6.787 -1.811 1.00 31.35 H new ATOM 0 HG LEU A 58 -6.505 4.597 -2.792 1.00 50.52 H new ATOM 0 HD11 LEU A 58 -4.953 5.213 -0.853 1.00 75.24 H new ATOM 0 HD12 LEU A 58 -5.178 6.524 -2.035 1.00 75.24 H new ATOM 0 HD13 LEU A 58 -6.043 6.570 -0.481 1.00 75.24 H new ATOM 0 HD21 LEU A 58 -6.540 3.485 -0.512 1.00 74.32 H new ATOM 0 HD22 LEU A 58 -7.887 4.560 -0.064 1.00 74.32 H new ATOM 0 HD23 LEU A 58 -8.085 3.391 -1.392 1.00 74.32 H new ATOM 925 N ASP A 59 -9.795 6.754 -5.221 1.00 52.30 N ATOM 926 CA ASP A 59 -10.481 7.735 -6.089 1.00 34.13 C ATOM 927 C ASP A 59 -11.914 7.286 -6.389 1.00 75.22 C ATOM 928 O ASP A 59 -12.833 8.103 -6.397 1.00 1.14 O ATOM 929 CB ASP A 59 -9.711 7.954 -7.417 1.00 34.33 C ATOM 930 CG ASP A 59 -10.323 9.079 -8.287 1.00 25.40 C ATOM 931 OD1 ASP A 59 -11.118 8.790 -9.205 1.00 23.34 O ATOM 932 OD2 ASP A 59 -10.027 10.266 -8.041 1.00 70.05 O ATOM 0 H ASP A 59 -9.043 6.250 -5.692 1.00 52.30 H new ATOM 0 HA ASP A 59 -10.510 8.681 -5.549 1.00 34.13 H new ATOM 0 HB2 ASP A 59 -8.672 8.198 -7.193 1.00 34.33 H new ATOM 0 HB3 ASP A 59 -9.705 7.024 -7.986 1.00 34.33 H new ATOM 937 N ASN A 60 -12.086 5.972 -6.647 1.00 44.23 N ATOM 938 CA ASN A 60 -13.416 5.370 -6.900 1.00 72.42 C ATOM 939 C ASN A 60 -14.144 5.052 -5.574 1.00 25.25 C ATOM 940 O ASN A 60 -15.331 4.700 -5.587 1.00 53.31 O ATOM 941 CB ASN A 60 -13.303 4.093 -7.791 1.00 5.54 C ATOM 942 CG ASN A 60 -12.704 4.356 -9.178 1.00 11.12 C ATOM 943 OD1 ASN A 60 -12.720 5.477 -9.692 1.00 15.55 O ATOM 944 ND2 ASN A 60 -12.217 3.308 -9.821 1.00 10.14 N ATOM 0 H ASN A 60 -11.317 5.303 -6.686 1.00 44.23 H new ATOM 0 HA ASN A 60 -14.010 6.104 -7.445 1.00 72.42 H new ATOM 0 HB2 ASN A 60 -12.690 3.355 -7.275 1.00 5.54 H new ATOM 0 HB3 ASN A 60 -14.294 3.656 -7.911 1.00 5.54 H new ATOM 0 HD21 ASN A 60 -11.843 3.417 -10.764 1.00 10.14 H new ATOM 0 HD22 ASN A 60 -12.215 2.391 -9.374 1.00 10.14 H new ATOM 951 N SER A 61 -13.407 5.181 -4.439 1.00 11.35 N ATOM 952 CA SER A 61 -13.932 4.980 -3.076 1.00 63.41 C ATOM 953 C SER A 61 -14.552 3.568 -2.913 1.00 60.34 C ATOM 954 O SER A 61 -15.695 3.410 -2.473 1.00 63.51 O ATOM 955 CB SER A 61 -14.916 6.122 -2.704 1.00 11.33 C ATOM 956 OG SER A 61 -15.379 6.011 -1.369 1.00 24.24 O ATOM 0 H SER A 61 -12.418 5.431 -4.453 1.00 11.35 H new ATOM 0 HA SER A 61 -13.105 5.027 -2.368 1.00 63.41 H new ATOM 0 HB2 SER A 61 -14.421 7.084 -2.837 1.00 11.33 H new ATOM 0 HB3 SER A 61 -15.767 6.104 -3.385 1.00 11.33 H new ATOM 0 HG SER A 61 -15.704 5.100 -1.210 1.00 24.24 H new ATOM 962 N GLU A 62 -13.754 2.538 -3.257 1.00 1.11 N ATOM 963 CA GLU A 62 -14.161 1.113 -3.175 1.00 53.42 C ATOM 964 C GLU A 62 -13.865 0.505 -1.780 1.00 63.34 C ATOM 965 O GLU A 62 -13.400 -0.636 -1.663 1.00 31.51 O ATOM 966 CB GLU A 62 -13.479 0.305 -4.312 1.00 12.45 C ATOM 967 CG GLU A 62 -13.949 0.674 -5.741 1.00 73.10 C ATOM 968 CD GLU A 62 -15.462 0.480 -5.963 1.00 53.51 C ATOM 969 OE1 GLU A 62 -15.920 -0.683 -6.038 1.00 1.34 O ATOM 970 OE2 GLU A 62 -16.197 1.486 -6.073 1.00 23.42 O ATOM 0 H GLU A 62 -12.803 2.667 -3.602 1.00 1.11 H new ATOM 0 HA GLU A 62 -15.241 1.056 -3.309 1.00 53.42 H new ATOM 0 HB2 GLU A 62 -12.401 0.454 -4.249 1.00 12.45 H new ATOM 0 HB3 GLU A 62 -13.664 -0.756 -4.146 1.00 12.45 H new ATOM 0 HG2 GLU A 62 -13.691 1.714 -5.942 1.00 73.10 H new ATOM 0 HG3 GLU A 62 -13.404 0.065 -6.462 1.00 73.10 H new ATOM 977 N TYR A 63 -14.150 1.315 -0.753 1.00 34.03 N ATOM 978 CA TYR A 63 -14.273 0.916 0.668 1.00 42.33 C ATOM 979 C TYR A 63 -12.910 0.704 1.361 1.00 55.21 C ATOM 980 O TYR A 63 -12.020 0.037 0.838 1.00 44.31 O ATOM 981 CB TYR A 63 -15.217 -0.319 0.868 1.00 75.24 C ATOM 982 CG TYR A 63 -16.697 -0.048 0.526 1.00 72.31 C ATOM 983 CD1 TYR A 63 -17.204 -0.258 -0.761 1.00 40.44 C ATOM 984 CD2 TYR A 63 -17.581 0.436 1.491 1.00 24.41 C ATOM 985 CE1 TYR A 63 -18.525 -0.003 -1.070 1.00 62.24 C ATOM 986 CE2 TYR A 63 -18.907 0.691 1.185 1.00 41.11 C ATOM 987 CZ TYR A 63 -19.373 0.476 -0.096 1.00 63.35 C ATOM 988 OH TYR A 63 -20.698 0.744 -0.396 1.00 11.41 O ATOM 0 H TYR A 63 -14.310 2.313 -0.889 1.00 34.03 H new ATOM 0 HA TYR A 63 -14.744 1.765 1.164 1.00 42.33 H new ATOM 0 HB2 TYR A 63 -14.857 -1.141 0.248 1.00 75.24 H new ATOM 0 HB3 TYR A 63 -15.150 -0.649 1.905 1.00 75.24 H new ATOM 0 HD1 TYR A 63 -16.545 -0.629 -1.532 1.00 40.44 H new ATOM 0 HD2 TYR A 63 -17.224 0.615 2.495 1.00 24.41 H new ATOM 0 HE1 TYR A 63 -18.892 -0.178 -2.071 1.00 62.24 H new ATOM 0 HE2 TYR A 63 -19.577 1.058 1.949 1.00 41.11 H new ATOM 0 HH TYR A 63 -21.155 1.074 0.406 1.00 11.41 H new ATOM 998 N LEU A 64 -12.825 1.187 2.607 1.00 62.04 N ATOM 999 CA LEU A 64 -11.544 1.216 3.377 1.00 5.32 C ATOM 1000 C LEU A 64 -11.233 -0.191 3.939 1.00 53.43 C ATOM 1001 O LEU A 64 -10.072 -0.614 3.864 1.00 1.41 O ATOM 1002 CB LEU A 64 -11.464 2.317 4.536 1.00 60.32 C ATOM 1003 CG LEU A 64 -10.750 3.715 4.294 1.00 54.00 C ATOM 1004 CD1 LEU A 64 -9.233 3.567 4.004 1.00 62.52 C ATOM 1005 CD2 LEU A 64 -11.440 4.636 3.253 1.00 1.52 C ATOM 0 H LEU A 64 -13.622 1.567 3.117 1.00 62.04 H new ATOM 0 HA LEU A 64 -10.783 1.519 2.658 1.00 5.32 H new ATOM 0 HB2 LEU A 64 -12.488 2.531 4.843 1.00 60.32 H new ATOM 0 HB3 LEU A 64 -10.968 1.849 5.386 1.00 60.32 H new ATOM 0 HG LEU A 64 -10.863 4.231 5.247 1.00 54.00 H new ATOM 0 HD11 LEU A 64 -8.795 4.553 3.846 1.00 62.52 H new ATOM 0 HD12 LEU A 64 -8.746 3.085 4.851 1.00 62.52 H new ATOM 0 HD13 LEU A 64 -9.091 2.960 3.110 1.00 62.52 H new ATOM 0 HD21 LEU A 64 -10.877 5.565 3.159 1.00 1.52 H new ATOM 0 HD22 LEU A 64 -11.473 4.133 2.287 1.00 1.52 H new ATOM 0 HD23 LEU A 64 -12.456 4.859 3.581 1.00 1.52 H new ATOM 1017 N PRO A 65 -12.247 -0.947 4.518 1.00 32.32 N ATOM 1018 CA PRO A 65 -12.068 -2.379 4.839 1.00 25.44 C ATOM 1019 C PRO A 65 -11.529 -3.174 3.641 1.00 35.21 C ATOM 1020 O PRO A 65 -10.588 -3.960 3.781 1.00 5.45 O ATOM 1021 CB PRO A 65 -13.489 -2.859 5.212 1.00 60.52 C ATOM 1022 CG PRO A 65 -14.191 -1.641 5.714 1.00 31.24 C ATOM 1023 CD PRO A 65 -13.602 -0.474 4.953 1.00 62.45 C ATOM 0 HA PRO A 65 -11.340 -2.527 5.637 1.00 25.44 H new ATOM 0 HB2 PRO A 65 -14.002 -3.282 4.348 1.00 60.52 H new ATOM 0 HB3 PRO A 65 -13.455 -3.637 5.975 1.00 60.52 H new ATOM 0 HG2 PRO A 65 -15.266 -1.713 5.546 1.00 31.24 H new ATOM 0 HG3 PRO A 65 -14.044 -1.521 6.787 1.00 31.24 H new ATOM 0 HD2 PRO A 65 -14.222 -0.206 4.097 1.00 62.45 H new ATOM 0 HD3 PRO A 65 -13.528 0.413 5.583 1.00 62.45 H new ATOM 1031 N LYS A 66 -12.100 -2.887 2.452 1.00 73.21 N ATOM 1032 CA LYS A 66 -11.851 -3.663 1.237 1.00 0.32 C ATOM 1033 C LYS A 66 -10.425 -3.446 0.718 1.00 34.01 C ATOM 1034 O LYS A 66 -9.748 -4.412 0.380 1.00 2.24 O ATOM 1035 CB LYS A 66 -12.888 -3.310 0.131 1.00 20.12 C ATOM 1036 CG LYS A 66 -12.721 -4.102 -1.189 1.00 14.23 C ATOM 1037 CD LYS A 66 -12.884 -5.632 -1.013 1.00 3.31 C ATOM 1038 CE LYS A 66 -14.290 -6.037 -0.549 1.00 20.13 C ATOM 1039 NZ LYS A 66 -15.341 -5.641 -1.520 1.00 62.42 N ATOM 0 H LYS A 66 -12.745 -2.109 2.316 1.00 73.21 H new ATOM 0 HA LYS A 66 -11.961 -4.717 1.493 1.00 0.32 H new ATOM 0 HB2 LYS A 66 -13.890 -3.488 0.521 1.00 20.12 H new ATOM 0 HB3 LYS A 66 -12.816 -2.245 -0.089 1.00 20.12 H new ATOM 0 HG2 LYS A 66 -13.455 -3.747 -1.913 1.00 14.23 H new ATOM 0 HG3 LYS A 66 -11.736 -3.895 -1.606 1.00 14.23 H new ATOM 0 HD2 LYS A 66 -12.663 -6.126 -1.959 1.00 3.31 H new ATOM 0 HD3 LYS A 66 -12.152 -5.989 -0.289 1.00 3.31 H new ATOM 0 HE2 LYS A 66 -14.324 -7.116 -0.401 1.00 20.13 H new ATOM 0 HE3 LYS A 66 -14.498 -5.576 0.416 1.00 20.13 H new ATOM 0 HZ1 LYS A 66 -16.255 -6.038 -1.223 1.00 62.42 H new ATOM 0 HZ2 LYS A 66 -15.409 -4.604 -1.555 1.00 62.42 H new ATOM 0 HZ3 LYS A 66 -15.096 -6.004 -2.464 1.00 62.42 H new ATOM 1053 N ILE A 67 -9.975 -2.179 0.679 1.00 73.21 N ATOM 1054 CA ILE A 67 -8.684 -1.808 0.072 1.00 43.13 C ATOM 1055 C ILE A 67 -7.520 -2.082 1.024 1.00 52.23 C ATOM 1056 O ILE A 67 -6.412 -2.409 0.572 1.00 32.13 O ATOM 1057 CB ILE A 67 -8.701 -0.309 -0.391 1.00 64.11 C ATOM 1058 CG1 ILE A 67 -9.882 -0.112 -1.378 1.00 13.33 C ATOM 1059 CG2 ILE A 67 -7.354 0.124 -1.038 1.00 51.12 C ATOM 1060 CD1 ILE A 67 -10.098 1.309 -1.832 1.00 62.04 C ATOM 0 H ILE A 67 -10.492 -1.389 1.064 1.00 73.21 H new ATOM 0 HA ILE A 67 -8.535 -2.433 -0.809 1.00 43.13 H new ATOM 0 HB ILE A 67 -8.835 0.327 0.484 1.00 64.11 H new ATOM 0 HG12 ILE A 67 -9.712 -0.737 -2.255 1.00 13.33 H new ATOM 0 HG13 ILE A 67 -10.796 -0.470 -0.904 1.00 13.33 H new ATOM 0 HG21 ILE A 67 -7.416 1.169 -1.342 1.00 51.12 H new ATOM 0 HG22 ILE A 67 -6.548 0.003 -0.315 1.00 51.12 H new ATOM 0 HG23 ILE A 67 -7.154 -0.497 -1.911 1.00 51.12 H new ATOM 0 HD11 ILE A 67 -10.944 1.347 -2.519 1.00 62.04 H new ATOM 0 HD12 ILE A 67 -10.304 1.940 -0.967 1.00 62.04 H new ATOM 0 HD13 ILE A 67 -9.203 1.669 -2.339 1.00 62.04 H new ATOM 1072 N ILE A 68 -7.777 -1.994 2.352 1.00 62.41 N ATOM 1073 CA ILE A 68 -6.771 -2.379 3.346 1.00 23.13 C ATOM 1074 C ILE A 68 -6.587 -3.911 3.281 1.00 0.42 C ATOM 1075 O ILE A 68 -5.461 -4.392 3.261 1.00 43.24 O ATOM 1076 CB ILE A 68 -7.091 -1.888 4.814 1.00 3.44 C ATOM 1077 CG1 ILE A 68 -7.056 -0.319 4.894 1.00 75.22 C ATOM 1078 CG2 ILE A 68 -6.091 -2.503 5.833 1.00 30.02 C ATOM 1079 CD1 ILE A 68 -7.425 0.254 6.250 1.00 12.50 C ATOM 0 H ILE A 68 -8.659 -1.665 2.745 1.00 62.41 H new ATOM 0 HA ILE A 68 -5.840 -1.872 3.094 1.00 23.13 H new ATOM 0 HB ILE A 68 -8.095 -2.226 5.071 1.00 3.44 H new ATOM 0 HG12 ILE A 68 -6.055 0.023 4.630 1.00 75.22 H new ATOM 0 HG13 ILE A 68 -7.738 0.085 4.146 1.00 75.22 H new ATOM 0 HG21 ILE A 68 -6.331 -2.151 6.836 1.00 30.02 H new ATOM 0 HG22 ILE A 68 -6.164 -3.590 5.803 1.00 30.02 H new ATOM 0 HG23 ILE A 68 -5.076 -2.200 5.575 1.00 30.02 H new ATOM 0 HD11 ILE A 68 -7.374 1.342 6.211 1.00 12.50 H new ATOM 0 HD12 ILE A 68 -8.438 -0.052 6.511 1.00 12.50 H new ATOM 0 HD13 ILE A 68 -6.729 -0.116 7.003 1.00 12.50 H new ATOM 1091 N LEU A 69 -7.717 -4.652 3.143 1.00 71.43 N ATOM 1092 CA LEU A 69 -7.716 -6.134 3.013 1.00 30.15 C ATOM 1093 C LEU A 69 -7.024 -6.529 1.681 1.00 41.13 C ATOM 1094 O LEU A 69 -6.260 -7.491 1.631 1.00 75.52 O ATOM 1095 CB LEU A 69 -9.187 -6.696 3.067 1.00 4.35 C ATOM 1096 CG LEU A 69 -9.412 -8.126 3.756 1.00 10.33 C ATOM 1097 CD1 LEU A 69 -10.806 -8.773 3.486 1.00 41.44 C ATOM 1098 CD2 LEU A 69 -8.281 -9.144 3.475 1.00 30.44 C ATOM 0 H LEU A 69 -8.651 -4.242 3.119 1.00 71.43 H new ATOM 0 HA LEU A 69 -7.164 -6.569 3.846 1.00 30.15 H new ATOM 0 HB2 LEU A 69 -9.805 -5.969 3.594 1.00 4.35 H new ATOM 0 HB3 LEU A 69 -9.562 -6.753 2.045 1.00 4.35 H new ATOM 0 HG LEU A 69 -9.382 -7.882 4.818 1.00 10.33 H new ATOM 0 HD11 LEU A 69 -10.864 -9.737 3.992 1.00 41.44 H new ATOM 0 HD12 LEU A 69 -11.591 -8.117 3.863 1.00 41.44 H new ATOM 0 HD13 LEU A 69 -10.938 -8.918 2.414 1.00 41.44 H new ATOM 0 HD21 LEU A 69 -8.507 -10.086 3.975 1.00 30.44 H new ATOM 0 HD22 LEU A 69 -8.202 -9.313 2.401 1.00 30.44 H new ATOM 0 HD23 LEU A 69 -7.336 -8.751 3.851 1.00 30.44 H new ATOM 1110 N ASN A 70 -7.289 -5.730 0.629 1.00 43.32 N ATOM 1111 CA ASN A 70 -6.757 -5.953 -0.731 1.00 4.55 C ATOM 1112 C ASN A 70 -5.234 -5.735 -0.761 1.00 52.42 C ATOM 1113 O ASN A 70 -4.516 -6.468 -1.445 1.00 71.04 O ATOM 1114 CB ASN A 70 -7.494 -5.025 -1.754 1.00 32.50 C ATOM 1115 CG ASN A 70 -6.907 -5.070 -3.170 1.00 62.55 C ATOM 1116 OD1 ASN A 70 -6.001 -4.160 -3.466 1.00 41.20 O flip ATOM 1117 ND2 ASN A 70 -7.273 -5.908 -3.994 1.00 44.24 N flip ATOM 0 H ASN A 70 -7.884 -4.904 0.699 1.00 43.32 H new ATOM 0 HA ASN A 70 -6.943 -6.987 -1.020 1.00 4.55 H new ATOM 0 HB2 ASN A 70 -8.545 -5.312 -1.798 1.00 32.50 H new ATOM 0 HB3 ASN A 70 -7.459 -3.998 -1.389 1.00 32.50 H new ATOM 0 HD21 ASN A 70 -7.976 -6.601 -3.738 1.00 44.24 H new ATOM 0 HD22 ASN A 70 -6.873 -5.909 -4.932 1.00 44.24 H new ATOM 1124 N LEU A 71 -4.744 -4.749 0.017 1.00 30.13 N ATOM 1125 CA LEU A 71 -3.303 -4.455 0.115 1.00 32.42 C ATOM 1126 C LEU A 71 -2.640 -5.478 1.060 1.00 12.52 C ATOM 1127 O LEU A 71 -1.468 -5.810 0.897 1.00 25.23 O ATOM 1128 CB LEU A 71 -3.074 -2.988 0.601 1.00 12.33 C ATOM 1129 CG LEU A 71 -1.602 -2.414 0.610 1.00 63.40 C ATOM 1130 CD1 LEU A 71 -1.016 -2.220 -0.812 1.00 64.33 C ATOM 1131 CD2 LEU A 71 -1.533 -1.091 1.415 1.00 61.11 C ATOM 0 H LEU A 71 -5.330 -4.141 0.589 1.00 30.13 H new ATOM 0 HA LEU A 71 -2.842 -4.543 -0.869 1.00 32.42 H new ATOM 0 HB2 LEU A 71 -3.680 -2.334 -0.025 1.00 12.33 H new ATOM 0 HB3 LEU A 71 -3.465 -2.911 1.615 1.00 12.33 H new ATOM 0 HG LEU A 71 -0.982 -3.163 1.102 1.00 63.40 H new ATOM 0 HD11 LEU A 71 -0.003 -1.823 -0.737 1.00 64.33 H new ATOM 0 HD12 LEU A 71 -0.993 -3.179 -1.330 1.00 64.33 H new ATOM 0 HD13 LEU A 71 -1.639 -1.521 -1.370 1.00 64.33 H new ATOM 0 HD21 LEU A 71 -0.510 -0.714 1.408 1.00 61.11 H new ATOM 0 HD22 LEU A 71 -2.195 -0.354 0.961 1.00 61.11 H new ATOM 0 HD23 LEU A 71 -1.845 -1.274 2.443 1.00 61.11 H new ATOM 1143 N ARG A 72 -3.426 -6.015 2.029 1.00 31.33 N ATOM 1144 CA ARG A 72 -2.977 -7.146 2.873 1.00 24.32 C ATOM 1145 C ARG A 72 -2.981 -8.451 2.044 1.00 65.21 C ATOM 1146 O ARG A 72 -2.237 -9.372 2.339 1.00 70.05 O ATOM 1147 CB ARG A 72 -3.844 -7.325 4.169 1.00 22.34 C ATOM 1148 CG ARG A 72 -3.783 -6.152 5.166 1.00 42.21 C ATOM 1149 CD ARG A 72 -4.547 -6.430 6.474 1.00 33.33 C ATOM 1150 NE ARG A 72 -5.943 -6.882 6.283 1.00 72.35 N ATOM 1151 CZ ARG A 72 -6.470 -8.024 6.789 1.00 11.32 C ATOM 1152 NH1 ARG A 72 -5.724 -8.863 7.510 1.00 74.11 N ATOM 1153 NH2 ARG A 72 -7.761 -8.275 6.638 1.00 61.43 N ATOM 0 H ARG A 72 -4.367 -5.684 2.242 1.00 31.33 H new ATOM 0 HA ARG A 72 -1.964 -6.917 3.204 1.00 24.32 H new ATOM 0 HB2 ARG A 72 -4.882 -7.477 3.874 1.00 22.34 H new ATOM 0 HB3 ARG A 72 -3.522 -8.232 4.680 1.00 22.34 H new ATOM 0 HG2 ARG A 72 -2.741 -5.936 5.400 1.00 42.21 H new ATOM 0 HG3 ARG A 72 -4.195 -5.260 4.694 1.00 42.21 H new ATOM 0 HD2 ARG A 72 -4.007 -7.188 7.042 1.00 33.33 H new ATOM 0 HD3 ARG A 72 -4.551 -5.522 7.078 1.00 33.33 H new ATOM 0 HE ARG A 72 -6.557 -6.287 5.727 1.00 72.35 H new ATOM 0 HH11 ARG A 72 -4.743 -8.649 7.687 1.00 74.11 H new ATOM 0 HH12 ARG A 72 -6.135 -9.718 7.884 1.00 74.11 H new ATOM 0 HH21 ARG A 72 -8.355 -7.610 6.142 1.00 61.43 H new ATOM 0 HH22 ARG A 72 -8.161 -9.133 7.017 1.00 61.43 H new ATOM 1167 N LYS A 73 -3.802 -8.501 0.973 1.00 45.03 N ATOM 1168 CA LYS A 73 -3.895 -9.668 0.073 1.00 54.54 C ATOM 1169 C LYS A 73 -2.767 -9.562 -0.970 1.00 73.01 C ATOM 1170 O LYS A 73 -2.280 -10.568 -1.486 1.00 3.54 O ATOM 1171 CB LYS A 73 -5.322 -9.701 -0.580 1.00 72.42 C ATOM 1172 CG LYS A 73 -5.737 -11.001 -1.325 1.00 33.32 C ATOM 1173 CD LYS A 73 -5.170 -11.141 -2.752 1.00 12.23 C ATOM 1174 CE LYS A 73 -5.688 -12.400 -3.465 1.00 41.21 C ATOM 1175 NZ LYS A 73 -7.168 -12.381 -3.628 1.00 61.21 N ATOM 0 H LYS A 73 -4.419 -7.733 0.709 1.00 45.03 H new ATOM 0 HA LYS A 73 -3.768 -10.606 0.614 1.00 54.54 H new ATOM 0 HB2 LYS A 73 -6.056 -9.513 0.204 1.00 72.42 H new ATOM 0 HB3 LYS A 73 -5.389 -8.872 -1.285 1.00 72.42 H new ATOM 0 HG2 LYS A 73 -5.414 -11.859 -0.736 1.00 33.32 H new ATOM 0 HG3 LYS A 73 -6.825 -11.041 -1.377 1.00 33.32 H new ATOM 0 HD2 LYS A 73 -5.438 -10.260 -3.335 1.00 12.23 H new ATOM 0 HD3 LYS A 73 -4.081 -11.174 -2.706 1.00 12.23 H new ATOM 0 HE2 LYS A 73 -5.217 -12.482 -4.444 1.00 41.21 H new ATOM 0 HE3 LYS A 73 -5.397 -13.284 -2.897 1.00 41.21 H new ATOM 0 HZ1 LYS A 73 -7.453 -13.125 -4.297 1.00 61.21 H new ATOM 0 HZ2 LYS A 73 -7.621 -12.551 -2.707 1.00 61.21 H new ATOM 0 HZ3 LYS A 73 -7.465 -11.454 -3.994 1.00 61.21 H new ATOM 1189 N ALA A 74 -2.347 -8.318 -1.239 1.00 63.12 N ATOM 1190 CA ALA A 74 -1.301 -8.010 -2.217 1.00 1.10 C ATOM 1191 C ALA A 74 0.112 -7.975 -1.592 1.00 42.30 C ATOM 1192 O ALA A 74 1.086 -8.139 -2.326 1.00 74.41 O ATOM 1193 CB ALA A 74 -1.636 -6.683 -2.911 1.00 71.32 C ATOM 0 H ALA A 74 -2.729 -7.492 -0.778 1.00 63.12 H new ATOM 0 HA ALA A 74 -1.279 -8.814 -2.953 1.00 1.10 H new ATOM 0 HB1 ALA A 74 -0.861 -6.448 -3.640 1.00 71.32 H new ATOM 0 HB2 ALA A 74 -2.597 -6.770 -3.418 1.00 71.32 H new ATOM 0 HB3 ALA A 74 -1.688 -5.887 -2.168 1.00 71.32 H new ATOM 1199 N LEU A 75 0.249 -7.762 -0.250 1.00 41.13 N ATOM 1200 CA LEU A 75 1.603 -7.675 0.393 1.00 23.04 C ATOM 1201 C LEU A 75 1.896 -8.809 1.408 1.00 40.10 C ATOM 1202 O LEU A 75 3.069 -9.165 1.564 1.00 24.42 O ATOM 1203 CB LEU A 75 1.868 -6.280 1.069 1.00 42.54 C ATOM 1204 CG LEU A 75 1.657 -4.957 0.225 1.00 54.54 C ATOM 1205 CD1 LEU A 75 2.094 -3.705 1.024 1.00 60.44 C ATOM 1206 CD2 LEU A 75 2.339 -4.984 -1.168 1.00 24.54 C ATOM 0 H LEU A 75 -0.534 -7.650 0.394 1.00 41.13 H new ATOM 0 HA LEU A 75 2.294 -7.799 -0.441 1.00 23.04 H new ATOM 0 HB2 LEU A 75 1.226 -6.214 1.947 1.00 42.54 H new ATOM 0 HB3 LEU A 75 2.898 -6.280 1.427 1.00 42.54 H new ATOM 0 HG LEU A 75 0.585 -4.902 0.036 1.00 54.54 H new ATOM 0 HD11 LEU A 75 1.937 -2.813 0.417 1.00 60.44 H new ATOM 0 HD12 LEU A 75 1.503 -3.632 1.937 1.00 60.44 H new ATOM 0 HD13 LEU A 75 3.150 -3.788 1.281 1.00 60.44 H new ATOM 0 HD21 LEU A 75 2.149 -4.043 -1.685 1.00 24.54 H new ATOM 0 HD22 LEU A 75 3.413 -5.119 -1.044 1.00 24.54 H new ATOM 0 HD23 LEU A 75 1.935 -5.809 -1.755 1.00 24.54 H new ATOM 1218 N THR A 76 0.871 -9.370 2.107 1.00 64.14 N ATOM 1219 CA THR A 76 1.104 -10.495 3.062 1.00 1.45 C ATOM 1220 C THR A 76 1.695 -11.764 2.363 1.00 71.31 C ATOM 1221 O THR A 76 2.684 -12.300 2.872 1.00 63.01 O ATOM 1222 CB THR A 76 -0.168 -10.860 3.925 1.00 42.11 C ATOM 1223 OG1 THR A 76 -0.541 -9.746 4.738 1.00 1.13 O ATOM 1224 CG2 THR A 76 0.018 -12.109 4.815 1.00 64.24 C ATOM 0 H THR A 76 -0.102 -9.073 2.032 1.00 64.14 H new ATOM 0 HA THR A 76 1.856 -10.122 3.758 1.00 1.45 H new ATOM 0 HB THR A 76 -0.958 -11.100 3.213 1.00 42.11 H new ATOM 0 HG1 THR A 76 -1.231 -9.223 4.279 1.00 1.13 H new ATOM 0 HG21 THR A 76 -0.897 -12.295 5.377 1.00 64.24 H new ATOM 0 HG22 THR A 76 0.241 -12.972 4.188 1.00 64.24 H new ATOM 0 HG23 THR A 76 0.842 -11.942 5.509 1.00 64.24 H new ATOM 1232 N PRO A 77 1.150 -12.278 1.187 1.00 65.31 N ATOM 1233 CA PRO A 77 1.753 -13.453 0.494 1.00 2.31 C ATOM 1234 C PRO A 77 3.193 -13.189 -0.001 1.00 60.42 C ATOM 1235 O PRO A 77 4.026 -14.097 0.038 1.00 4.43 O ATOM 1236 CB PRO A 77 0.786 -13.737 -0.682 1.00 72.21 C ATOM 1237 CG PRO A 77 -0.491 -13.086 -0.267 1.00 64.53 C ATOM 1238 CD PRO A 77 -0.071 -11.831 0.452 1.00 10.54 C ATOM 0 HA PRO A 77 1.859 -14.303 1.168 1.00 2.31 H new ATOM 0 HB2 PRO A 77 1.161 -13.320 -1.616 1.00 72.21 H new ATOM 0 HB3 PRO A 77 0.655 -14.807 -0.841 1.00 72.21 H new ATOM 0 HG2 PRO A 77 -1.116 -12.856 -1.130 1.00 64.53 H new ATOM 0 HG3 PRO A 77 -1.073 -13.738 0.384 1.00 64.53 H new ATOM 0 HD2 PRO A 77 0.147 -11.019 -0.241 1.00 10.54 H new ATOM 0 HD3 PRO A 77 -0.845 -11.472 1.130 1.00 10.54 H new ATOM 1246 N LEU A 78 3.481 -11.936 -0.449 1.00 2.10 N ATOM 1247 CA LEU A 78 4.849 -11.553 -0.910 1.00 10.44 C ATOM 1248 C LEU A 78 5.825 -11.488 0.273 1.00 45.22 C ATOM 1249 O LEU A 78 7.015 -11.820 0.117 1.00 21.33 O ATOM 1250 CB LEU A 78 4.897 -10.188 -1.687 1.00 12.55 C ATOM 1251 CG LEU A 78 3.920 -10.013 -2.910 1.00 25.32 C ATOM 1252 CD1 LEU A 78 4.080 -8.638 -3.612 1.00 5.21 C ATOM 1253 CD2 LEU A 78 4.041 -11.156 -3.949 1.00 41.11 C ATOM 0 H LEU A 78 2.796 -11.182 -0.501 1.00 2.10 H new ATOM 0 HA LEU A 78 5.147 -12.335 -1.609 1.00 10.44 H new ATOM 0 HB2 LEU A 78 4.692 -9.388 -0.975 1.00 12.55 H new ATOM 0 HB3 LEU A 78 5.916 -10.041 -2.046 1.00 12.55 H new ATOM 0 HG LEU A 78 2.920 -10.059 -2.478 1.00 25.32 H new ATOM 0 HD11 LEU A 78 3.382 -8.572 -4.447 1.00 5.21 H new ATOM 0 HD12 LEU A 78 3.870 -7.840 -2.900 1.00 5.21 H new ATOM 0 HD13 LEU A 78 5.100 -8.535 -3.982 1.00 5.21 H new ATOM 0 HD21 LEU A 78 3.343 -10.979 -4.767 1.00 41.11 H new ATOM 0 HD22 LEU A 78 5.058 -11.186 -4.340 1.00 41.11 H new ATOM 0 HD23 LEU A 78 3.807 -12.108 -3.472 1.00 41.11 H new ATOM 1265 N ALA A 79 5.300 -11.055 1.442 1.00 74.25 N ATOM 1266 CA ALA A 79 6.046 -10.993 2.707 1.00 11.01 C ATOM 1267 C ALA A 79 6.517 -12.402 3.086 1.00 4.01 C ATOM 1268 O ALA A 79 7.724 -12.670 3.136 1.00 74.10 O ATOM 1269 CB ALA A 79 5.172 -10.374 3.816 1.00 12.01 C ATOM 0 H ALA A 79 4.335 -10.737 1.528 1.00 74.25 H new ATOM 0 HA ALA A 79 6.921 -10.355 2.586 1.00 11.01 H new ATOM 0 HB1 ALA A 79 5.738 -10.335 4.746 1.00 12.01 H new ATOM 0 HB2 ALA A 79 4.879 -9.365 3.527 1.00 12.01 H new ATOM 0 HB3 ALA A 79 4.280 -10.984 3.959 1.00 12.01 H new ATOM 1275 N ILE A 80 5.530 -13.307 3.205 1.00 74.55 N ATOM 1276 CA ILE A 80 5.722 -14.707 3.628 1.00 72.41 C ATOM 1277 C ILE A 80 6.652 -15.461 2.651 1.00 74.22 C ATOM 1278 O ILE A 80 7.582 -16.155 3.073 1.00 24.34 O ATOM 1279 CB ILE A 80 4.333 -15.457 3.729 1.00 43.43 C ATOM 1280 CG1 ILE A 80 3.376 -14.759 4.762 1.00 45.34 C ATOM 1281 CG2 ILE A 80 4.521 -16.958 4.066 1.00 70.35 C ATOM 1282 CD1 ILE A 80 2.000 -15.391 4.871 1.00 24.22 C ATOM 0 H ILE A 80 4.555 -13.082 3.006 1.00 74.55 H new ATOM 0 HA ILE A 80 6.190 -14.692 4.612 1.00 72.41 H new ATOM 0 HB ILE A 80 3.861 -15.396 2.748 1.00 43.43 H new ATOM 0 HG12 ILE A 80 3.848 -14.775 5.744 1.00 45.34 H new ATOM 0 HG13 ILE A 80 3.260 -13.712 4.481 1.00 45.34 H new ATOM 0 HG21 ILE A 80 3.546 -17.442 4.128 1.00 70.35 H new ATOM 0 HG22 ILE A 80 5.114 -17.435 3.285 1.00 70.35 H new ATOM 0 HG23 ILE A 80 5.035 -17.055 5.022 1.00 70.35 H new ATOM 0 HD11 ILE A 80 1.407 -14.846 5.606 1.00 24.22 H new ATOM 0 HD12 ILE A 80 1.503 -15.351 3.902 1.00 24.22 H new ATOM 0 HD13 ILE A 80 2.101 -16.430 5.184 1.00 24.22 H new ATOM 1294 N ASN A 81 6.407 -15.272 1.344 1.00 23.31 N ATOM 1295 CA ASN A 81 7.169 -15.952 0.270 1.00 11.30 C ATOM 1296 C ASN A 81 8.539 -15.264 0.046 1.00 53.34 C ATOM 1297 O ASN A 81 9.353 -15.735 -0.759 1.00 54.03 O ATOM 1298 CB ASN A 81 6.320 -16.004 -1.033 1.00 51.51 C ATOM 1299 CG ASN A 81 6.865 -16.955 -2.110 1.00 40.02 C ATOM 1300 OD1 ASN A 81 7.523 -17.954 -1.812 1.00 22.31 O ATOM 1301 ND2 ASN A 81 6.570 -16.670 -3.366 1.00 52.00 N ATOM 0 H ASN A 81 5.679 -14.647 0.997 1.00 23.31 H new ATOM 0 HA ASN A 81 7.376 -16.978 0.574 1.00 11.30 H new ATOM 0 HB2 ASN A 81 5.305 -16.307 -0.778 1.00 51.51 H new ATOM 0 HB3 ASN A 81 6.257 -14.999 -1.451 1.00 51.51 H new ATOM 0 HD21 ASN A 81 6.888 -17.283 -4.116 1.00 52.00 H new ATOM 0 HD22 ASN A 81 6.024 -15.837 -3.585 1.00 52.00 H new ATOM 1308 N ARG A 82 8.766 -14.130 0.758 1.00 41.43 N ATOM 1309 CA ARG A 82 10.103 -13.521 0.929 1.00 54.52 C ATOM 1310 C ARG A 82 10.679 -12.972 -0.403 1.00 45.13 C ATOM 1311 O ARG A 82 11.788 -13.334 -0.805 1.00 2.13 O ATOM 1312 CB ARG A 82 11.094 -14.534 1.619 1.00 51.24 C ATOM 1313 CG ARG A 82 10.736 -14.961 3.068 1.00 54.20 C ATOM 1314 CD ARG A 82 11.670 -16.063 3.621 1.00 12.31 C ATOM 1315 NE ARG A 82 11.649 -17.290 2.792 1.00 22.12 N ATOM 1316 CZ ARG A 82 12.124 -18.496 3.168 1.00 21.12 C ATOM 1317 NH1 ARG A 82 12.676 -18.679 4.371 1.00 32.24 N ATOM 1318 NH2 ARG A 82 12.046 -19.520 2.325 1.00 23.13 N ATOM 0 H ARG A 82 8.023 -13.614 1.229 1.00 41.43 H new ATOM 0 HA ARG A 82 9.985 -12.661 1.588 1.00 54.52 H new ATOM 0 HB2 ARG A 82 11.153 -15.431 1.002 1.00 51.24 H new ATOM 0 HB3 ARG A 82 12.089 -14.088 1.629 1.00 51.24 H new ATOM 0 HG2 ARG A 82 10.785 -14.089 3.721 1.00 54.20 H new ATOM 0 HG3 ARG A 82 9.707 -15.319 3.092 1.00 54.20 H new ATOM 0 HD2 ARG A 82 12.689 -15.680 3.672 1.00 12.31 H new ATOM 0 HD3 ARG A 82 11.371 -16.311 4.640 1.00 12.31 H new ATOM 0 HE ARG A 82 11.242 -17.218 1.860 1.00 22.12 H new ATOM 0 HH11 ARG A 82 12.744 -17.899 5.025 1.00 32.24 H new ATOM 0 HH12 ARG A 82 13.029 -19.599 4.636 1.00 32.24 H new ATOM 0 HH21 ARG A 82 11.630 -19.391 1.403 1.00 23.13 H new ATOM 0 HH22 ARG A 82 12.402 -20.435 2.600 1.00 23.13 H new ATOM 1332 N THR A 83 9.915 -12.092 -1.088 1.00 41.35 N ATOM 1333 CA THR A 83 10.403 -11.416 -2.325 1.00 31.44 C ATOM 1334 C THR A 83 9.971 -9.926 -2.397 1.00 72.04 C ATOM 1335 O THR A 83 10.329 -9.227 -3.356 1.00 43.11 O ATOM 1336 CB THR A 83 9.962 -12.200 -3.620 1.00 14.11 C ATOM 1337 OG1 THR A 83 10.627 -11.687 -4.792 1.00 74.14 O ATOM 1338 CG2 THR A 83 8.444 -12.148 -3.846 1.00 12.11 C ATOM 0 H THR A 83 8.968 -11.831 -0.814 1.00 41.35 H new ATOM 0 HA THR A 83 11.492 -11.427 -2.278 1.00 31.44 H new ATOM 0 HB THR A 83 10.252 -13.238 -3.458 1.00 14.11 H new ATOM 0 HG1 THR A 83 10.858 -10.745 -4.651 1.00 74.14 H new ATOM 0 HG21 THR A 83 8.192 -12.702 -4.750 1.00 12.11 H new ATOM 0 HG22 THR A 83 7.934 -12.594 -2.992 1.00 12.11 H new ATOM 0 HG23 THR A 83 8.128 -11.111 -3.956 1.00 12.11 H new ATOM 1346 N LEU A 84 9.217 -9.449 -1.378 1.00 3.20 N ATOM 1347 CA LEU A 84 8.858 -8.012 -1.234 1.00 31.42 C ATOM 1348 C LEU A 84 10.138 -7.181 -0.938 1.00 55.32 C ATOM 1349 O LEU A 84 11.107 -7.718 -0.386 1.00 24.15 O ATOM 1350 CB LEU A 84 7.809 -7.857 -0.081 1.00 64.41 C ATOM 1351 CG LEU A 84 7.145 -6.443 0.148 1.00 10.02 C ATOM 1352 CD1 LEU A 84 5.966 -6.188 -0.814 1.00 74.54 C ATOM 1353 CD2 LEU A 84 6.702 -6.257 1.618 1.00 20.31 C ATOM 0 H LEU A 84 8.842 -10.041 -0.637 1.00 3.20 H new ATOM 0 HA LEU A 84 8.417 -7.642 -2.160 1.00 31.42 H new ATOM 0 HB2 LEU A 84 7.008 -8.574 -0.263 1.00 64.41 H new ATOM 0 HB3 LEU A 84 8.294 -8.150 0.850 1.00 64.41 H new ATOM 0 HG LEU A 84 7.912 -5.701 -0.073 1.00 10.02 H new ATOM 0 HD11 LEU A 84 5.543 -5.203 -0.617 1.00 74.54 H new ATOM 0 HD12 LEU A 84 6.321 -6.232 -1.844 1.00 74.54 H new ATOM 0 HD13 LEU A 84 5.201 -6.949 -0.661 1.00 74.54 H new ATOM 0 HD21 LEU A 84 6.249 -5.273 1.740 1.00 20.31 H new ATOM 0 HD22 LEU A 84 5.975 -7.026 1.879 1.00 20.31 H new ATOM 0 HD23 LEU A 84 7.569 -6.341 2.273 1.00 20.31 H new ATOM 1365 N ASN A 85 10.133 -5.888 -1.301 1.00 34.21 N ATOM 1366 CA ASN A 85 11.339 -4.998 -1.173 1.00 62.40 C ATOM 1367 C ASN A 85 11.598 -4.611 0.310 1.00 60.15 C ATOM 1368 O ASN A 85 12.740 -4.306 0.678 1.00 13.10 O ATOM 1369 CB ASN A 85 11.227 -3.715 -2.080 1.00 54.13 C ATOM 1370 CG ASN A 85 12.484 -2.834 -2.110 1.00 53.41 C ATOM 1371 OD1 ASN A 85 13.614 -3.313 -1.990 1.00 12.42 O ATOM 1372 ND2 ASN A 85 12.302 -1.544 -2.309 1.00 42.03 N ATOM 0 H ASN A 85 9.314 -5.419 -1.688 1.00 34.21 H new ATOM 0 HA ASN A 85 12.196 -5.570 -1.529 1.00 62.40 H new ATOM 0 HB2 ASN A 85 10.995 -4.027 -3.098 1.00 54.13 H new ATOM 0 HB3 ASN A 85 10.387 -3.113 -1.732 1.00 54.13 H new ATOM 0 HD21 ASN A 85 13.106 -0.919 -2.367 1.00 42.03 H new ATOM 0 HD22 ASN A 85 11.358 -1.171 -2.405 1.00 42.03 H new ATOM 1379 N HIS A 86 10.513 -4.610 1.140 1.00 32.14 N ATOM 1380 CA HIS A 86 10.553 -4.320 2.611 1.00 71.31 C ATOM 1381 C HIS A 86 10.798 -2.823 2.912 1.00 62.25 C ATOM 1382 O HIS A 86 10.753 -2.398 4.063 1.00 74.42 O ATOM 1383 CB HIS A 86 11.598 -5.225 3.329 1.00 34.24 C ATOM 1384 CG HIS A 86 11.685 -5.089 4.828 1.00 12.15 C ATOM 1385 ND1 HIS A 86 12.681 -4.380 5.458 1.00 10.21 N ATOM 1386 CD2 HIS A 86 10.914 -5.599 5.814 1.00 23.31 C ATOM 1387 CE1 HIS A 86 12.519 -4.458 6.762 1.00 54.31 C ATOM 1388 NE2 HIS A 86 11.455 -5.189 7.005 1.00 63.04 N ATOM 0 H HIS A 86 9.572 -4.813 0.803 1.00 32.14 H new ATOM 0 HA HIS A 86 9.567 -4.558 3.010 1.00 71.31 H new ATOM 0 HB2 HIS A 86 11.369 -6.264 3.093 1.00 34.24 H new ATOM 0 HB3 HIS A 86 12.581 -5.011 2.909 1.00 34.24 H new ATOM 0 HD2 HIS A 86 10.036 -6.215 5.687 1.00 23.31 H new ATOM 0 HE1 HIS A 86 13.153 -3.999 7.506 1.00 54.31 H new ATOM 0 HE2 HIS A 86 11.090 -5.415 7.930 1.00 63.04 H new ATOM 1397 N ASP A 87 11.033 -2.017 1.872 1.00 73.01 N ATOM 1398 CA ASP A 87 11.264 -0.566 2.025 1.00 22.40 C ATOM 1399 C ASP A 87 9.949 0.212 2.350 1.00 24.13 C ATOM 1400 O ASP A 87 9.990 1.397 2.663 1.00 63.52 O ATOM 1401 CB ASP A 87 12.030 -0.002 0.783 1.00 1.22 C ATOM 1402 CG ASP A 87 12.309 1.502 0.884 1.00 20.30 C ATOM 1403 OD1 ASP A 87 13.090 1.907 1.757 1.00 53.21 O ATOM 1404 OD2 ASP A 87 11.740 2.289 0.107 1.00 22.44 O ATOM 0 H ASP A 87 11.070 -2.342 0.906 1.00 73.01 H new ATOM 0 HA ASP A 87 11.904 -0.410 2.893 1.00 22.40 H new ATOM 0 HB2 ASP A 87 12.975 -0.535 0.673 1.00 1.22 H new ATOM 0 HB3 ASP A 87 11.447 -0.198 -0.117 1.00 1.22 H new ATOM 1409 N LEU A 88 8.783 -0.471 2.353 1.00 12.44 N ATOM 1410 CA LEU A 88 7.513 0.118 2.854 1.00 54.10 C ATOM 1411 C LEU A 88 6.990 -0.749 4.013 1.00 50.13 C ATOM 1412 O LEU A 88 5.782 -0.867 4.245 1.00 53.44 O ATOM 1413 CB LEU A 88 6.452 0.357 1.725 1.00 22.22 C ATOM 1414 CG LEU A 88 6.184 -0.800 0.692 1.00 31.41 C ATOM 1415 CD1 LEU A 88 4.719 -0.771 0.190 1.00 44.25 C ATOM 1416 CD2 LEU A 88 7.153 -0.717 -0.516 1.00 12.21 C ATOM 0 H LEU A 88 8.691 -1.429 2.016 1.00 12.44 H new ATOM 0 HA LEU A 88 7.715 1.120 3.232 1.00 54.10 H new ATOM 0 HB2 LEU A 88 5.504 0.599 2.206 1.00 22.22 H new ATOM 0 HB3 LEU A 88 6.758 1.239 1.163 1.00 22.22 H new ATOM 0 HG LEU A 88 6.360 -1.741 1.213 1.00 31.41 H new ATOM 0 HD11 LEU A 88 4.562 -1.581 -0.522 1.00 44.25 H new ATOM 0 HD12 LEU A 88 4.042 -0.895 1.035 1.00 44.25 H new ATOM 0 HD13 LEU A 88 4.520 0.184 -0.297 1.00 44.25 H new ATOM 0 HD21 LEU A 88 6.940 -1.531 -1.210 1.00 12.21 H new ATOM 0 HD22 LEU A 88 7.019 0.238 -1.025 1.00 12.21 H new ATOM 0 HD23 LEU A 88 8.181 -0.800 -0.164 1.00 12.21 H new ATOM 1428 N SER A 89 7.965 -1.267 4.798 1.00 41.11 N ATOM 1429 CA SER A 89 7.733 -2.078 6.009 1.00 33.33 C ATOM 1430 C SER A 89 6.901 -1.326 7.052 1.00 52.32 C ATOM 1431 O SER A 89 6.056 -1.920 7.724 1.00 13.34 O ATOM 1432 CB SER A 89 9.094 -2.481 6.612 1.00 41.15 C ATOM 1433 OG SER A 89 9.958 -1.358 6.735 1.00 61.03 O ATOM 0 H SER A 89 8.956 -1.127 4.599 1.00 41.11 H new ATOM 0 HA SER A 89 7.168 -2.965 5.723 1.00 33.33 H new ATOM 0 HB2 SER A 89 8.940 -2.933 7.592 1.00 41.15 H new ATOM 0 HB3 SER A 89 9.564 -3.237 5.982 1.00 41.15 H new ATOM 0 HG SER A 89 10.507 -1.278 5.927 1.00 61.03 H new ATOM 1439 N GLU A 90 7.152 -0.007 7.144 1.00 52.11 N ATOM 1440 CA GLU A 90 6.467 0.886 8.091 1.00 61.20 C ATOM 1441 C GLU A 90 5.010 1.128 7.645 1.00 53.13 C ATOM 1442 O GLU A 90 4.144 1.399 8.474 1.00 70.14 O ATOM 1443 CB GLU A 90 7.229 2.242 8.213 1.00 50.35 C ATOM 1444 CG GLU A 90 6.922 3.044 9.499 1.00 61.34 C ATOM 1445 CD GLU A 90 7.518 2.413 10.780 1.00 64.43 C ATOM 1446 OE1 GLU A 90 8.681 2.732 11.130 1.00 43.44 O ATOM 1447 OE2 GLU A 90 6.832 1.606 11.440 1.00 64.32 O ATOM 0 H GLU A 90 7.839 0.469 6.560 1.00 52.11 H new ATOM 0 HA GLU A 90 6.456 0.406 9.070 1.00 61.20 H new ATOM 0 HB2 GLU A 90 8.300 2.046 8.171 1.00 50.35 H new ATOM 0 HB3 GLU A 90 6.984 2.860 7.349 1.00 50.35 H new ATOM 0 HG2 GLU A 90 7.311 4.056 9.388 1.00 61.34 H new ATOM 0 HG3 GLU A 90 5.842 3.129 9.615 1.00 61.34 H new ATOM 1454 N LEU A 91 4.757 0.999 6.323 1.00 31.33 N ATOM 1455 CA LEU A 91 3.423 1.224 5.719 1.00 55.53 C ATOM 1456 C LEU A 91 2.567 -0.036 5.976 1.00 30.12 C ATOM 1457 O LEU A 91 1.387 0.045 6.379 1.00 61.21 O ATOM 1458 CB LEU A 91 3.609 1.537 4.189 1.00 15.02 C ATOM 1459 CG LEU A 91 2.455 2.276 3.413 1.00 43.14 C ATOM 1460 CD1 LEU A 91 2.947 2.749 2.022 1.00 10.20 C ATOM 1461 CD2 LEU A 91 1.184 1.412 3.259 1.00 63.23 C ATOM 0 H LEU A 91 5.472 0.736 5.644 1.00 31.33 H new ATOM 0 HA LEU A 91 2.908 2.077 6.161 1.00 55.53 H new ATOM 0 HB2 LEU A 91 4.513 2.137 4.084 1.00 15.02 H new ATOM 0 HB3 LEU A 91 3.794 0.591 3.680 1.00 15.02 H new ATOM 0 HG LEU A 91 2.183 3.142 4.017 1.00 43.14 H new ATOM 0 HD11 LEU A 91 2.135 3.257 1.502 1.00 10.20 H new ATOM 0 HD12 LEU A 91 3.784 3.436 2.146 1.00 10.20 H new ATOM 0 HD13 LEU A 91 3.269 1.887 1.437 1.00 10.20 H new ATOM 0 HD21 LEU A 91 0.425 1.975 2.716 1.00 63.23 H new ATOM 0 HD22 LEU A 91 1.426 0.504 2.707 1.00 63.23 H new ATOM 0 HD23 LEU A 91 0.803 1.146 4.245 1.00 63.23 H new ATOM 1473 N TYR A 92 3.220 -1.202 5.806 1.00 21.13 N ATOM 1474 CA TYR A 92 2.611 -2.515 6.023 1.00 53.44 C ATOM 1475 C TYR A 92 2.332 -2.716 7.535 1.00 3.50 C ATOM 1476 O TYR A 92 1.331 -3.340 7.924 1.00 4.25 O ATOM 1477 CB TYR A 92 3.536 -3.620 5.456 1.00 21.23 C ATOM 1478 CG TYR A 92 3.039 -5.064 5.644 1.00 12.22 C ATOM 1479 CD1 TYR A 92 1.727 -5.444 5.323 1.00 74.30 C ATOM 1480 CD2 TYR A 92 3.895 -6.057 6.133 1.00 1.44 C ATOM 1481 CE1 TYR A 92 1.298 -6.746 5.490 1.00 52.11 C ATOM 1482 CE2 TYR A 92 3.465 -7.356 6.299 1.00 55.05 C ATOM 1483 CZ TYR A 92 2.172 -7.696 5.979 1.00 11.40 C ATOM 1484 OH TYR A 92 1.747 -8.992 6.152 1.00 35.00 O ATOM 0 H TYR A 92 4.195 -1.252 5.511 1.00 21.13 H new ATOM 0 HA TYR A 92 1.659 -2.577 5.497 1.00 53.44 H new ATOM 0 HB2 TYR A 92 3.677 -3.439 4.390 1.00 21.23 H new ATOM 0 HB3 TYR A 92 4.514 -3.527 5.927 1.00 21.23 H new ATOM 0 HD1 TYR A 92 1.040 -4.705 4.938 1.00 74.30 H new ATOM 0 HD2 TYR A 92 4.913 -5.800 6.385 1.00 1.44 H new ATOM 0 HE1 TYR A 92 0.284 -7.020 5.239 1.00 52.11 H new ATOM 0 HE2 TYR A 92 4.143 -8.106 6.680 1.00 55.05 H new ATOM 0 HH TYR A 92 0.933 -9.142 5.627 1.00 35.00 H new ATOM 1494 N LYS A 93 3.229 -2.144 8.372 1.00 14.34 N ATOM 1495 CA LYS A 93 3.082 -2.129 9.835 1.00 11.13 C ATOM 1496 C LYS A 93 1.946 -1.175 10.234 1.00 10.15 C ATOM 1497 O LYS A 93 1.164 -1.489 11.123 1.00 34.00 O ATOM 1498 CB LYS A 93 4.408 -1.691 10.534 1.00 13.40 C ATOM 1499 CG LYS A 93 4.374 -1.821 12.076 1.00 10.33 C ATOM 1500 CD LYS A 93 5.667 -1.330 12.776 1.00 64.22 C ATOM 1501 CE LYS A 93 5.628 -1.562 14.298 1.00 52.04 C ATOM 1502 NZ LYS A 93 6.807 -0.973 14.994 1.00 41.12 N ATOM 0 H LYS A 93 4.076 -1.680 8.044 1.00 14.34 H new ATOM 0 HA LYS A 93 2.844 -3.141 10.162 1.00 11.13 H new ATOM 0 HB2 LYS A 93 5.229 -2.294 10.146 1.00 13.40 H new ATOM 0 HB3 LYS A 93 4.622 -0.655 10.271 1.00 13.40 H new ATOM 0 HG2 LYS A 93 3.527 -1.253 12.460 1.00 10.33 H new ATOM 0 HG3 LYS A 93 4.204 -2.865 12.339 1.00 10.33 H new ATOM 0 HD2 LYS A 93 6.527 -1.849 12.353 1.00 64.22 H new ATOM 0 HD3 LYS A 93 5.806 -0.268 12.575 1.00 64.22 H new ATOM 0 HE2 LYS A 93 4.715 -1.128 14.705 1.00 52.04 H new ATOM 0 HE3 LYS A 93 5.589 -2.633 14.498 1.00 52.04 H new ATOM 0 HZ1 LYS A 93 6.734 -1.156 16.015 1.00 41.12 H new ATOM 0 HZ2 LYS A 93 7.679 -1.405 14.626 1.00 41.12 H new ATOM 0 HZ3 LYS A 93 6.832 0.053 14.827 1.00 41.12 H new ATOM 1516 N PHE A 94 1.862 -0.024 9.529 1.00 72.32 N ATOM 1517 CA PHE A 94 0.875 1.045 9.804 1.00 71.12 C ATOM 1518 C PHE A 94 -0.564 0.513 9.722 1.00 55.41 C ATOM 1519 O PHE A 94 -1.355 0.676 10.670 1.00 3.03 O ATOM 1520 CB PHE A 94 1.090 2.233 8.817 1.00 52.33 C ATOM 1521 CG PHE A 94 0.088 3.383 8.944 1.00 0.24 C ATOM 1522 CD1 PHE A 94 0.211 4.324 9.964 1.00 22.12 C ATOM 1523 CD2 PHE A 94 -0.988 3.514 8.056 1.00 22.20 C ATOM 1524 CE1 PHE A 94 -0.698 5.350 10.090 1.00 73.12 C ATOM 1525 CE2 PHE A 94 -1.893 4.546 8.185 1.00 34.44 C ATOM 1526 CZ PHE A 94 -1.756 5.457 9.207 1.00 24.43 C ATOM 0 H PHE A 94 2.482 0.191 8.748 1.00 72.32 H new ATOM 0 HA PHE A 94 1.029 1.403 10.822 1.00 71.12 H new ATOM 0 HB2 PHE A 94 2.094 2.630 8.967 1.00 52.33 H new ATOM 0 HB3 PHE A 94 1.048 1.848 7.798 1.00 52.33 H new ATOM 0 HD1 PHE A 94 1.030 4.248 10.664 1.00 22.12 H new ATOM 0 HD2 PHE A 94 -1.110 2.796 7.259 1.00 22.20 H new ATOM 0 HE1 PHE A 94 -0.584 6.075 10.883 1.00 73.12 H new ATOM 0 HE2 PHE A 94 -2.709 4.639 7.484 1.00 34.44 H new ATOM 0 HZ PHE A 94 -2.475 6.255 9.319 1.00 24.43 H new ATOM 1536 N ILE A 95 -0.866 -0.185 8.605 1.00 42.21 N ATOM 1537 CA ILE A 95 -2.223 -0.727 8.331 1.00 32.41 C ATOM 1538 C ILE A 95 -2.589 -1.914 9.271 1.00 43.33 C ATOM 1539 O ILE A 95 -3.679 -2.492 9.146 1.00 20.10 O ATOM 1540 CB ILE A 95 -2.437 -1.084 6.796 1.00 71.44 C ATOM 1541 CG1 ILE A 95 -1.750 -2.438 6.376 1.00 41.33 C ATOM 1542 CG2 ILE A 95 -2.000 0.104 5.899 1.00 23.23 C ATOM 1543 CD1 ILE A 95 -1.374 -2.568 4.899 1.00 23.43 C ATOM 0 H ILE A 95 -0.186 -0.389 7.872 1.00 42.21 H new ATOM 0 HA ILE A 95 -2.924 0.076 8.560 1.00 32.41 H new ATOM 0 HB ILE A 95 -3.504 -1.248 6.645 1.00 71.44 H new ATOM 0 HG12 ILE A 95 -0.847 -2.565 6.973 1.00 41.33 H new ATOM 0 HG13 ILE A 95 -2.420 -3.258 6.634 1.00 41.33 H new ATOM 0 HG21 ILE A 95 -2.152 -0.156 4.851 1.00 23.23 H new ATOM 0 HG22 ILE A 95 -2.595 0.984 6.145 1.00 23.23 H new ATOM 0 HG23 ILE A 95 -0.945 0.320 6.069 1.00 23.23 H new ATOM 0 HD11 ILE A 95 -0.909 -3.539 4.726 1.00 23.43 H new ATOM 0 HD12 ILE A 95 -2.271 -2.481 4.286 1.00 23.43 H new ATOM 0 HD13 ILE A 95 -0.673 -1.777 4.631 1.00 23.43 H new ATOM 1555 N THR A 96 -1.659 -2.299 10.182 1.00 44.31 N ATOM 1556 CA THR A 96 -1.909 -3.323 11.224 1.00 50.54 C ATOM 1557 C THR A 96 -1.690 -2.768 12.658 1.00 65.33 C ATOM 1558 O THR A 96 -2.070 -3.426 13.630 1.00 32.22 O ATOM 1559 CB THR A 96 -0.985 -4.573 11.017 1.00 21.21 C ATOM 1560 OG1 THR A 96 0.358 -4.152 10.762 1.00 2.33 O ATOM 1561 CG2 THR A 96 -1.447 -5.473 9.866 1.00 25.12 C ATOM 0 H THR A 96 -0.717 -1.908 10.213 1.00 44.31 H new ATOM 0 HA THR A 96 -2.954 -3.615 11.121 1.00 50.54 H new ATOM 0 HB THR A 96 -1.041 -5.155 11.937 1.00 21.21 H new ATOM 0 HG1 THR A 96 0.483 -3.238 11.093 1.00 2.33 H new ATOM 0 HG21 THR A 96 -0.768 -6.321 9.772 1.00 25.12 H new ATOM 0 HG22 THR A 96 -2.455 -5.836 10.070 1.00 25.12 H new ATOM 0 HG23 THR A 96 -1.447 -4.904 8.937 1.00 25.12 H new