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= -0.204 K(o=-0.2,f=-0.99) USER MOD Set 1.2: A 89 SER OG : rot 165:sc= 0.00642 USER MOD Set 2.1: A 76 THR OG1 : rot 69:sc= 2.23 USER MOD Set 2.2: A 92 TYR OH : rot 31:sc= 1.21 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 151:sc= -0.0387 (180deg=-0.985) USER MOD Single : A 37 THR OG1 : rot 78:sc= 0.302 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc=-0.000387 USER MOD Single : A 45 GLN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.073 K(o=-0.073,f=-1.4!) USER MOD Single : A 52 ASN : amide:sc= -0.0475 K(o=-0.047,f=-1.2) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.236 K(o=-0.24,f=-2.8!) USER MOD Single : A 61 SER OG : rot 3:sc= 1.02 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= -0.0083 (180deg=-0.0966) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 151:sc= -1.02 (180deg=-2.54!) USER MOD Single : A 81 ASN : amide:sc= 0.658 K(o=0.66,f=0) USER MOD Single : A 83 THR OG1 : rot -36:sc= 0.474 USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 29:sc= 0.671 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -7.017 8.752 5.829 1.00 62.41 N ATOM 437 CA GLU A 28 -6.854 8.855 4.371 1.00 13.24 C ATOM 438 C GLU A 28 -5.654 9.752 4.042 1.00 73.31 C ATOM 439 O GLU A 28 -4.808 9.359 3.239 1.00 25.23 O ATOM 440 CB GLU A 28 -8.161 9.359 3.687 1.00 73.41 C ATOM 441 CG GLU A 28 -8.165 9.406 2.135 1.00 35.43 C ATOM 442 CD GLU A 28 -7.497 10.659 1.511 1.00 50.41 C ATOM 443 OE1 GLU A 28 -6.485 10.527 0.800 1.00 4.44 O ATOM 444 OE2 GLU A 28 -8.003 11.777 1.714 1.00 42.00 O ATOM 0 HA GLU A 28 -6.656 7.861 3.970 1.00 13.24 H new ATOM 0 HB2 GLU A 28 -8.982 8.719 4.010 1.00 73.41 H new ATOM 0 HB3 GLU A 28 -8.374 10.362 4.058 1.00 73.41 H new ATOM 0 HG2 GLU A 28 -7.657 8.518 1.759 1.00 35.43 H new ATOM 0 HG3 GLU A 28 -9.197 9.353 1.788 1.00 35.43 H new ATOM 451 N ASN A 29 -5.582 10.940 4.682 1.00 11.32 N ATOM 452 CA ASN A 29 -4.520 11.928 4.407 1.00 33.54 C ATOM 453 C ASN A 29 -3.130 11.361 4.755 1.00 34.10 C ATOM 454 O ASN A 29 -2.177 11.544 3.986 1.00 71.13 O ATOM 455 CB ASN A 29 -4.761 13.263 5.176 1.00 3.44 C ATOM 456 CG ASN A 29 -5.926 14.097 4.626 1.00 73.01 C ATOM 457 OD1 ASN A 29 -6.901 13.573 4.095 1.00 3.31 O ATOM 458 ND2 ASN A 29 -5.829 15.416 4.741 1.00 35.01 N ATOM 0 H ASN A 29 -6.249 11.237 5.394 1.00 11.32 H new ATOM 0 HA ASN A 29 -4.553 12.142 3.339 1.00 33.54 H new ATOM 0 HB2 ASN A 29 -4.953 13.037 6.225 1.00 3.44 H new ATOM 0 HB3 ASN A 29 -3.850 13.861 5.140 1.00 3.44 H new ATOM 0 HD21 ASN A 29 -6.574 16.015 4.385 1.00 35.01 H new ATOM 0 HD22 ASN A 29 -5.010 15.830 5.186 1.00 35.01 H new ATOM 465 N GLU A 30 -3.026 10.656 5.896 1.00 10.43 N ATOM 466 CA GLU A 30 -1.744 10.093 6.359 1.00 53.40 C ATOM 467 C GLU A 30 -1.334 8.860 5.538 1.00 22.15 C ATOM 468 O GLU A 30 -0.168 8.756 5.126 1.00 42.33 O ATOM 469 CB GLU A 30 -1.787 9.759 7.865 1.00 52.31 C ATOM 470 CG GLU A 30 -0.496 9.096 8.393 1.00 4.24 C ATOM 471 CD GLU A 30 -0.366 9.150 9.913 1.00 24.22 C ATOM 472 OE1 GLU A 30 0.256 10.096 10.427 1.00 31.13 O ATOM 473 OE2 GLU A 30 -0.899 8.268 10.603 1.00 74.34 O ATOM 0 H GLU A 30 -3.814 10.462 6.514 1.00 10.43 H new ATOM 0 HA GLU A 30 -0.985 10.860 6.205 1.00 53.40 H new ATOM 0 HB2 GLU A 30 -1.969 10.676 8.426 1.00 52.31 H new ATOM 0 HB3 GLU A 30 -2.630 9.095 8.057 1.00 52.31 H new ATOM 0 HG2 GLU A 30 -0.473 8.055 8.070 1.00 4.24 H new ATOM 0 HG3 GLU A 30 0.367 9.588 7.944 1.00 4.24 H new ATOM 480 N LEU A 31 -2.292 7.937 5.305 1.00 65.52 N ATOM 481 CA LEU A 31 -2.021 6.706 4.485 1.00 12.14 C ATOM 482 C LEU A 31 -1.544 7.120 3.084 1.00 3.11 C ATOM 483 O LEU A 31 -0.563 6.578 2.568 1.00 15.05 O ATOM 484 CB LEU A 31 -3.250 5.723 4.349 1.00 72.41 C ATOM 485 CG LEU A 31 -3.148 4.537 3.259 1.00 43.43 C ATOM 486 CD1 LEU A 31 -2.273 3.313 3.693 1.00 62.20 C ATOM 487 CD2 LEU A 31 -4.550 4.052 2.759 1.00 32.34 C ATOM 0 H LEU A 31 -3.246 8.005 5.659 1.00 65.52 H new ATOM 0 HA LEU A 31 -1.251 6.153 5.023 1.00 12.14 H new ATOM 0 HB2 LEU A 31 -3.424 5.268 5.324 1.00 72.41 H new ATOM 0 HB3 LEU A 31 -4.131 6.319 4.114 1.00 72.41 H new ATOM 0 HG LEU A 31 -2.622 5.006 2.427 1.00 43.43 H new ATOM 0 HD11 LEU A 31 -2.266 2.570 2.896 1.00 62.20 H new ATOM 0 HD12 LEU A 31 -1.254 3.646 3.888 1.00 62.20 H new ATOM 0 HD13 LEU A 31 -2.690 2.870 4.598 1.00 62.20 H new ATOM 0 HD21 LEU A 31 -4.420 3.254 2.028 1.00 32.34 H new ATOM 0 HD22 LEU A 31 -5.129 3.679 3.604 1.00 32.34 H new ATOM 0 HD23 LEU A 31 -5.079 4.885 2.296 1.00 32.34 H new ATOM 499 N ARG A 32 -2.222 8.136 2.515 1.00 64.32 N ATOM 500 CA ARG A 32 -1.917 8.654 1.173 1.00 30.54 C ATOM 501 C ARG A 32 -0.571 9.403 1.188 1.00 73.24 C ATOM 502 O ARG A 32 0.166 9.319 0.226 1.00 73.43 O ATOM 503 CB ARG A 32 -3.080 9.555 0.632 1.00 72.14 C ATOM 504 CG ARG A 32 -3.248 9.586 -0.921 1.00 43.13 C ATOM 505 CD ARG A 32 -2.111 10.298 -1.680 1.00 52.03 C ATOM 506 NE ARG A 32 -2.222 10.185 -3.148 1.00 62.51 N ATOM 507 CZ ARG A 32 -1.574 10.969 -4.028 1.00 1.20 C ATOM 508 NH1 ARG A 32 -0.761 11.940 -3.617 1.00 11.03 N ATOM 509 NH2 ARG A 32 -1.721 10.757 -5.325 1.00 63.45 N ATOM 0 H ARG A 32 -2.995 8.618 2.974 1.00 64.32 H new ATOM 0 HA ARG A 32 -1.827 7.812 0.487 1.00 30.54 H new ATOM 0 HB2 ARG A 32 -4.016 9.212 1.073 1.00 72.14 H new ATOM 0 HB3 ARG A 32 -2.918 10.575 0.982 1.00 72.14 H new ATOM 0 HG2 ARG A 32 -3.323 8.561 -1.285 1.00 43.13 H new ATOM 0 HG3 ARG A 32 -4.190 10.079 -1.161 1.00 43.13 H new ATOM 0 HD2 ARG A 32 -2.105 11.352 -1.404 1.00 52.03 H new ATOM 0 HD3 ARG A 32 -1.156 9.880 -1.363 1.00 52.03 H new ATOM 0 HE ARG A 32 -2.834 9.460 -3.522 1.00 62.51 H new ATOM 0 HH11 ARG A 32 -0.621 12.100 -2.619 1.00 11.03 H new ATOM 0 HH12 ARG A 32 -0.278 12.524 -4.300 1.00 11.03 H new ATOM 0 HH21 ARG A 32 -2.323 10.002 -5.653 1.00 63.45 H new ATOM 0 HH22 ARG A 32 -1.232 11.348 -5.997 1.00 63.45 H new ATOM 523 N SER A 33 -0.253 10.108 2.296 1.00 41.34 N ATOM 524 CA SER A 33 1.013 10.865 2.439 1.00 71.24 C ATOM 525 C SER A 33 2.230 9.912 2.369 1.00 42.13 C ATOM 526 O SER A 33 3.245 10.224 1.729 1.00 53.52 O ATOM 527 CB SER A 33 1.016 11.656 3.770 1.00 25.31 C ATOM 528 OG SER A 33 2.192 12.441 3.923 1.00 45.00 O ATOM 0 H SER A 33 -0.862 10.169 3.112 1.00 41.34 H new ATOM 0 HA SER A 33 1.089 11.573 1.614 1.00 71.24 H new ATOM 0 HB2 SER A 33 0.140 12.304 3.808 1.00 25.31 H new ATOM 0 HB3 SER A 33 0.934 10.960 4.605 1.00 25.31 H new ATOM 0 HG SER A 33 2.154 12.925 4.774 1.00 45.00 H new ATOM 534 N MET A 34 2.081 8.734 2.996 1.00 63.53 N ATOM 535 CA MET A 34 3.134 7.691 3.038 1.00 51.04 C ATOM 536 C MET A 34 3.170 6.919 1.703 1.00 61.54 C ATOM 537 O MET A 34 4.253 6.617 1.174 1.00 42.00 O ATOM 538 CB MET A 34 2.885 6.705 4.223 1.00 64.24 C ATOM 539 CG MET A 34 2.987 7.320 5.637 1.00 50.33 C ATOM 540 SD MET A 34 2.254 6.257 6.890 1.00 33.31 S ATOM 541 CE MET A 34 3.142 4.731 6.602 1.00 11.41 C ATOM 0 H MET A 34 1.228 8.472 3.490 1.00 63.53 H new ATOM 0 HA MET A 34 4.097 8.178 3.191 1.00 51.04 H new ATOM 0 HB2 MET A 34 1.893 6.269 4.107 1.00 64.24 H new ATOM 0 HB3 MET A 34 3.603 5.888 4.149 1.00 64.24 H new ATOM 0 HG2 MET A 34 4.035 7.498 5.880 1.00 50.33 H new ATOM 0 HG3 MET A 34 2.489 8.289 5.647 1.00 50.33 H new ATOM 0 HE1 MET A 34 3.213 4.170 7.534 1.00 11.41 H new ATOM 0 HE2 MET A 34 2.611 4.135 5.860 1.00 11.41 H new ATOM 0 HE3 MET A 34 4.144 4.956 6.237 1.00 11.41 H new ATOM 551 N LEU A 35 1.973 6.651 1.149 1.00 40.51 N ATOM 552 CA LEU A 35 1.822 5.839 -0.091 1.00 64.13 C ATOM 553 C LEU A 35 2.363 6.660 -1.281 1.00 2.00 C ATOM 554 O LEU A 35 2.986 6.110 -2.183 1.00 61.31 O ATOM 555 CB LEU A 35 0.314 5.386 -0.312 1.00 35.12 C ATOM 556 CG LEU A 35 0.021 4.113 -1.205 1.00 73.32 C ATOM 557 CD1 LEU A 35 -1.414 3.590 -0.970 1.00 22.05 C ATOM 558 CD2 LEU A 35 0.232 4.396 -2.697 1.00 71.11 C ATOM 0 H LEU A 35 1.089 6.982 1.536 1.00 40.51 H new ATOM 0 HA LEU A 35 2.399 4.919 -0.001 1.00 64.13 H new ATOM 0 HB2 LEU A 35 -0.124 5.207 0.670 1.00 35.12 H new ATOM 0 HB3 LEU A 35 -0.222 6.227 -0.752 1.00 35.12 H new ATOM 0 HG LEU A 35 0.735 3.347 -0.903 1.00 73.32 H new ATOM 0 HD11 LEU A 35 -1.589 2.715 -1.596 1.00 22.05 H new ATOM 0 HD12 LEU A 35 -1.534 3.317 0.078 1.00 22.05 H new ATOM 0 HD13 LEU A 35 -2.132 4.369 -1.226 1.00 22.05 H new ATOM 0 HD21 LEU A 35 0.020 3.495 -3.272 1.00 71.11 H new ATOM 0 HD22 LEU A 35 -0.438 5.195 -3.014 1.00 71.11 H new ATOM 0 HD23 LEU A 35 1.265 4.700 -2.867 1.00 71.11 H new ATOM 570 N ALA A 36 2.172 7.995 -1.218 1.00 51.31 N ATOM 571 CA ALA A 36 2.627 8.941 -2.252 1.00 74.22 C ATOM 572 C ALA A 36 4.161 8.952 -2.340 1.00 1.31 C ATOM 573 O ALA A 36 4.718 8.930 -3.442 1.00 3.53 O ATOM 574 CB ALA A 36 2.099 10.349 -1.967 1.00 5.42 C ATOM 0 H ALA A 36 1.693 8.448 -0.440 1.00 51.31 H new ATOM 0 HA ALA A 36 2.229 8.612 -3.212 1.00 74.22 H new ATOM 0 HB1 ALA A 36 2.447 11.032 -2.742 1.00 5.42 H new ATOM 0 HB2 ALA A 36 1.009 10.334 -1.959 1.00 5.42 H new ATOM 0 HB3 ALA A 36 2.465 10.685 -0.997 1.00 5.42 H new ATOM 580 N THR A 37 4.825 8.969 -1.160 1.00 41.51 N ATOM 581 CA THR A 37 6.292 8.842 -1.054 1.00 42.24 C ATOM 582 C THR A 37 6.748 7.531 -1.710 1.00 72.01 C ATOM 583 O THR A 37 7.665 7.517 -2.535 1.00 4.05 O ATOM 584 CB THR A 37 6.754 8.862 0.440 1.00 12.35 C ATOM 585 OG1 THR A 37 6.207 10.012 1.088 1.00 23.20 O ATOM 586 CG2 THR A 37 8.290 8.875 0.586 1.00 53.24 C ATOM 0 H THR A 37 4.357 9.071 -0.259 1.00 41.51 H new ATOM 0 HA THR A 37 6.743 9.691 -1.567 1.00 42.24 H new ATOM 0 HB THR A 37 6.391 7.946 0.906 1.00 12.35 H new ATOM 0 HG1 THR A 37 5.266 9.848 1.306 1.00 23.20 H new ATOM 0 HG21 THR A 37 8.555 8.889 1.643 1.00 53.24 H new ATOM 0 HG22 THR A 37 8.707 7.983 0.119 1.00 53.24 H new ATOM 0 HG23 THR A 37 8.694 9.763 0.099 1.00 53.24 H new ATOM 594 N ALA A 38 6.040 6.451 -1.356 1.00 41.03 N ATOM 595 CA ALA A 38 6.325 5.092 -1.832 1.00 34.31 C ATOM 596 C ALA A 38 6.141 4.938 -3.359 1.00 45.24 C ATOM 597 O ALA A 38 6.817 4.114 -3.974 1.00 30.33 O ATOM 598 CB ALA A 38 5.469 4.092 -1.044 1.00 42.21 C ATOM 0 H ALA A 38 5.242 6.498 -0.722 1.00 41.03 H new ATOM 0 HA ALA A 38 7.379 4.881 -1.651 1.00 34.31 H new ATOM 0 HB1 ALA A 38 5.677 3.081 -1.394 1.00 42.21 H new ATOM 0 HB2 ALA A 38 5.708 4.165 0.017 1.00 42.21 H new ATOM 0 HB3 ALA A 38 4.414 4.318 -1.195 1.00 42.21 H new ATOM 604 N LEU A 39 5.251 5.754 -3.963 1.00 2.51 N ATOM 605 CA LEU A 39 5.071 5.787 -5.440 1.00 53.11 C ATOM 606 C LEU A 39 6.267 6.503 -6.106 1.00 34.33 C ATOM 607 O LEU A 39 6.700 6.126 -7.198 1.00 63.33 O ATOM 608 CB LEU A 39 3.746 6.507 -5.846 1.00 64.44 C ATOM 609 CG LEU A 39 2.388 5.955 -5.277 1.00 20.45 C ATOM 610 CD1 LEU A 39 1.243 6.955 -5.511 1.00 40.33 C ATOM 611 CD2 LEU A 39 2.023 4.562 -5.829 1.00 0.12 C ATOM 0 H LEU A 39 4.645 6.399 -3.457 1.00 2.51 H new ATOM 0 HA LEU A 39 5.018 4.754 -5.785 1.00 53.11 H new ATOM 0 HB2 LEU A 39 3.831 7.552 -5.546 1.00 64.44 H new ATOM 0 HB3 LEU A 39 3.680 6.492 -6.934 1.00 64.44 H new ATOM 0 HG LEU A 39 2.533 5.834 -4.203 1.00 20.45 H new ATOM 0 HD11 LEU A 39 0.316 6.548 -5.108 1.00 40.33 H new ATOM 0 HD12 LEU A 39 1.474 7.896 -5.011 1.00 40.33 H new ATOM 0 HD13 LEU A 39 1.127 7.131 -6.580 1.00 40.33 H new ATOM 0 HD21 LEU A 39 1.076 4.237 -5.398 1.00 0.12 H new ATOM 0 HD22 LEU A 39 1.930 4.613 -6.914 1.00 0.12 H new ATOM 0 HD23 LEU A 39 2.805 3.850 -5.565 1.00 0.12 H new ATOM 623 N GLU A 40 6.783 7.547 -5.433 1.00 14.31 N ATOM 624 CA GLU A 40 7.953 8.312 -5.916 1.00 3.31 C ATOM 625 C GLU A 40 9.241 7.487 -5.796 1.00 3.12 C ATOM 626 O GLU A 40 10.170 7.658 -6.590 1.00 73.32 O ATOM 627 CB GLU A 40 8.087 9.657 -5.148 1.00 52.34 C ATOM 628 CG GLU A 40 6.863 10.586 -5.262 1.00 71.20 C ATOM 629 CD GLU A 40 6.464 10.892 -6.711 1.00 32.20 C ATOM 630 OE1 GLU A 40 5.482 10.296 -7.213 1.00 52.52 O ATOM 631 OE2 GLU A 40 7.136 11.715 -7.358 1.00 22.45 O ATOM 0 H GLU A 40 6.407 7.884 -4.547 1.00 14.31 H new ATOM 0 HA GLU A 40 7.795 8.535 -6.971 1.00 3.31 H new ATOM 0 HB2 GLU A 40 8.267 9.442 -4.095 1.00 52.34 H new ATOM 0 HB3 GLU A 40 8.964 10.187 -5.520 1.00 52.34 H new ATOM 0 HG2 GLU A 40 6.018 10.126 -4.750 1.00 71.20 H new ATOM 0 HG3 GLU A 40 7.077 11.522 -4.746 1.00 71.20 H new ATOM 638 N LYS A 41 9.271 6.590 -4.806 1.00 62.54 N ATOM 639 CA LYS A 41 10.402 5.690 -4.564 1.00 11.21 C ATOM 640 C LYS A 41 10.370 4.517 -5.562 1.00 52.31 C ATOM 641 O LYS A 41 9.286 4.032 -5.917 1.00 13.13 O ATOM 642 CB LYS A 41 10.356 5.172 -3.101 1.00 43.42 C ATOM 643 CG LYS A 41 10.536 6.274 -2.028 1.00 50.42 C ATOM 644 CD LYS A 41 11.966 6.934 -2.091 1.00 11.50 C ATOM 645 CE LYS A 41 12.282 8.100 -1.087 1.00 23.04 C ATOM 646 NZ LYS A 41 13.711 8.530 -1.223 1.00 15.12 N ATOM 0 H LYS A 41 8.504 6.467 -4.145 1.00 62.54 H new ATOM 0 HA LYS A 41 11.334 6.235 -4.711 1.00 11.21 H new ATOM 0 HB2 LYS A 41 9.402 4.672 -2.935 1.00 43.42 H new ATOM 0 HB3 LYS A 41 11.136 4.422 -2.969 1.00 43.42 H new ATOM 0 HG2 LYS A 41 9.776 7.043 -2.167 1.00 50.42 H new ATOM 0 HG3 LYS A 41 10.378 5.845 -1.038 1.00 50.42 H new ATOM 0 HD2 LYS A 41 12.704 6.148 -1.934 1.00 11.50 H new ATOM 0 HD3 LYS A 41 12.115 7.313 -3.102 1.00 11.50 H new ATOM 0 HE2 LYS A 41 11.621 8.945 -1.280 1.00 23.04 H new ATOM 0 HE3 LYS A 41 12.089 7.772 -0.066 1.00 23.04 H new ATOM 0 HZ1 LYS A 41 13.907 9.301 -0.554 1.00 15.12 H new ATOM 0 HZ2 LYS A 41 14.337 7.725 -1.017 1.00 15.12 H new ATOM 0 HZ3 LYS A 41 13.883 8.862 -2.194 1.00 15.12 H new ATOM 660 N ASP A 42 11.572 4.098 -6.025 1.00 2.43 N ATOM 661 CA ASP A 42 11.741 2.915 -6.889 1.00 31.30 C ATOM 662 C ASP A 42 11.347 1.654 -6.103 1.00 3.51 C ATOM 663 O ASP A 42 12.122 1.143 -5.287 1.00 54.24 O ATOM 664 CB ASP A 42 13.202 2.786 -7.417 1.00 3.42 C ATOM 665 CG ASP A 42 13.635 3.920 -8.366 1.00 33.41 C ATOM 666 OD1 ASP A 42 13.375 3.831 -9.587 1.00 71.33 O ATOM 667 OD2 ASP A 42 14.236 4.905 -7.902 1.00 71.10 O ATOM 0 H ASP A 42 12.448 4.573 -5.808 1.00 2.43 H new ATOM 0 HA ASP A 42 11.093 3.030 -7.757 1.00 31.30 H new ATOM 0 HB2 ASP A 42 13.883 2.760 -6.566 1.00 3.42 H new ATOM 0 HB3 ASP A 42 13.305 1.834 -7.937 1.00 3.42 H new ATOM 672 N ILE A 43 10.117 1.203 -6.313 1.00 62.13 N ATOM 673 CA ILE A 43 9.556 0.004 -5.665 1.00 53.12 C ATOM 674 C ILE A 43 9.503 -1.150 -6.663 1.00 62.40 C ATOM 675 O ILE A 43 9.477 -0.932 -7.872 1.00 53.35 O ATOM 676 CB ILE A 43 8.133 0.295 -5.044 1.00 23.35 C ATOM 677 CG1 ILE A 43 7.172 0.957 -6.082 1.00 21.05 C ATOM 678 CG2 ILE A 43 8.271 1.165 -3.776 1.00 30.23 C ATOM 679 CD1 ILE A 43 5.824 1.390 -5.531 1.00 20.04 C ATOM 0 H ILE A 43 9.463 1.661 -6.947 1.00 62.13 H new ATOM 0 HA ILE A 43 10.209 -0.281 -4.840 1.00 53.12 H new ATOM 0 HB ILE A 43 7.688 -0.659 -4.763 1.00 23.35 H new ATOM 0 HG12 ILE A 43 7.669 1.828 -6.509 1.00 21.05 H new ATOM 0 HG13 ILE A 43 7.004 0.254 -6.898 1.00 21.05 H new ATOM 0 HG21 ILE A 43 7.283 1.358 -3.358 1.00 30.23 H new ATOM 0 HG22 ILE A 43 8.880 0.641 -3.040 1.00 30.23 H new ATOM 0 HG23 ILE A 43 8.747 2.111 -4.034 1.00 30.23 H new ATOM 0 HD11 ILE A 43 5.231 1.837 -6.329 1.00 20.04 H new ATOM 0 HD12 ILE A 43 5.299 0.523 -5.131 1.00 20.04 H new ATOM 0 HD13 ILE A 43 5.974 2.121 -4.737 1.00 20.04 H new ATOM 691 N SER A 44 9.500 -2.370 -6.127 1.00 3.45 N ATOM 692 CA SER A 44 9.503 -3.626 -6.921 1.00 60.31 C ATOM 693 C SER A 44 8.237 -3.716 -7.812 1.00 43.55 C ATOM 694 O SER A 44 7.191 -3.215 -7.410 1.00 20.43 O ATOM 695 CB SER A 44 9.635 -4.823 -5.944 1.00 52.33 C ATOM 696 OG SER A 44 8.674 -4.751 -4.907 1.00 10.42 O ATOM 0 H SER A 44 9.495 -2.530 -5.120 1.00 3.45 H new ATOM 0 HA SER A 44 10.352 -3.644 -7.604 1.00 60.31 H new ATOM 0 HB2 SER A 44 9.512 -5.757 -6.492 1.00 52.33 H new ATOM 0 HB3 SER A 44 10.637 -4.835 -5.514 1.00 52.33 H new ATOM 0 HG SER A 44 8.781 -5.519 -4.308 1.00 10.42 H new ATOM 702 N GLN A 45 8.378 -4.309 -9.029 1.00 41.51 N ATOM 703 CA GLN A 45 7.315 -4.400 -10.060 1.00 54.33 C ATOM 704 C GLN A 45 5.909 -4.752 -9.493 1.00 31.01 C ATOM 705 O GLN A 45 4.911 -4.103 -9.835 1.00 5.13 O ATOM 706 CB GLN A 45 7.737 -5.418 -11.167 1.00 45.33 C ATOM 707 CG GLN A 45 6.701 -5.627 -12.283 1.00 75.13 C ATOM 708 CD GLN A 45 7.157 -6.649 -13.323 1.00 15.02 C ATOM 709 OE1 GLN A 45 7.769 -6.300 -14.331 1.00 21.53 O ATOM 710 NE2 GLN A 45 6.895 -7.917 -13.060 1.00 52.42 N ATOM 0 H GLN A 45 9.252 -4.745 -9.323 1.00 41.51 H new ATOM 0 HA GLN A 45 7.213 -3.403 -10.488 1.00 54.33 H new ATOM 0 HB2 GLN A 45 8.670 -5.078 -11.616 1.00 45.33 H new ATOM 0 HB3 GLN A 45 7.942 -6.380 -10.697 1.00 45.33 H new ATOM 0 HG2 GLN A 45 5.760 -5.957 -11.843 1.00 75.13 H new ATOM 0 HG3 GLN A 45 6.506 -4.675 -12.776 1.00 75.13 H new ATOM 0 HE21 GLN A 45 6.385 -8.167 -12.213 1.00 52.42 H new ATOM 0 HE22 GLN A 45 7.203 -8.646 -13.704 1.00 52.42 H new ATOM 719 N GLU A 46 5.845 -5.717 -8.564 1.00 54.20 N ATOM 720 CA GLU A 46 4.555 -6.241 -8.057 1.00 41.44 C ATOM 721 C GLU A 46 4.013 -5.363 -6.916 1.00 23.43 C ATOM 722 O GLU A 46 2.804 -5.364 -6.641 1.00 42.51 O ATOM 723 CB GLU A 46 4.686 -7.713 -7.589 1.00 32.31 C ATOM 724 CG GLU A 46 5.068 -8.713 -8.698 1.00 65.10 C ATOM 725 CD GLU A 46 4.130 -8.667 -9.920 1.00 52.13 C ATOM 726 OE1 GLU A 46 4.550 -8.200 -11.001 1.00 55.32 O ATOM 727 OE2 GLU A 46 2.960 -9.091 -9.801 1.00 44.23 O ATOM 0 H GLU A 46 6.666 -6.154 -8.145 1.00 54.20 H new ATOM 0 HA GLU A 46 3.845 -6.211 -8.883 1.00 41.44 H new ATOM 0 HB2 GLU A 46 5.436 -7.763 -6.800 1.00 32.31 H new ATOM 0 HB3 GLU A 46 3.739 -8.025 -7.149 1.00 32.31 H new ATOM 0 HG2 GLU A 46 6.087 -8.508 -9.025 1.00 65.10 H new ATOM 0 HG3 GLU A 46 5.063 -9.721 -8.284 1.00 65.10 H new ATOM 734 N GLU A 47 4.919 -4.631 -6.270 1.00 21.40 N ATOM 735 CA GLU A 47 4.587 -3.675 -5.195 1.00 4.23 C ATOM 736 C GLU A 47 4.082 -2.364 -5.811 1.00 71.13 C ATOM 737 O GLU A 47 3.194 -1.711 -5.261 1.00 1.24 O ATOM 738 CB GLU A 47 5.844 -3.433 -4.310 1.00 22.22 C ATOM 739 CG GLU A 47 5.733 -2.354 -3.211 1.00 22.45 C ATOM 740 CD GLU A 47 6.958 -2.350 -2.275 1.00 72.54 C ATOM 741 OE1 GLU A 47 6.794 -2.511 -1.046 1.00 41.22 O ATOM 742 OE2 GLU A 47 8.103 -2.240 -2.783 1.00 73.41 O ATOM 0 H GLU A 47 5.917 -4.680 -6.474 1.00 21.40 H new ATOM 0 HA GLU A 47 3.797 -4.082 -4.565 1.00 4.23 H new ATOM 0 HB2 GLU A 47 6.108 -4.376 -3.832 1.00 22.22 H new ATOM 0 HB3 GLU A 47 6.673 -3.164 -4.965 1.00 22.22 H new ATOM 0 HG2 GLU A 47 5.629 -1.373 -3.676 1.00 22.45 H new ATOM 0 HG3 GLU A 47 4.830 -2.526 -2.625 1.00 22.45 H new ATOM 749 N ARG A 48 4.651 -2.017 -6.978 1.00 61.14 N ATOM 750 CA ARG A 48 4.216 -0.866 -7.778 1.00 51.32 C ATOM 751 C ARG A 48 2.804 -1.130 -8.299 1.00 63.42 C ATOM 752 O ARG A 48 1.930 -0.272 -8.227 1.00 32.34 O ATOM 753 CB ARG A 48 5.210 -0.619 -8.939 1.00 33.04 C ATOM 754 CG ARG A 48 4.946 0.668 -9.746 1.00 54.33 C ATOM 755 CD ARG A 48 5.960 0.858 -10.883 1.00 25.21 C ATOM 756 NE ARG A 48 5.786 2.145 -11.581 1.00 2.34 N ATOM 757 CZ ARG A 48 6.790 2.943 -11.998 1.00 74.34 C ATOM 758 NH1 ARG A 48 8.068 2.621 -11.780 1.00 24.43 N ATOM 759 NH2 ARG A 48 6.506 4.067 -12.627 1.00 45.02 N ATOM 0 H ARG A 48 5.429 -2.531 -7.392 1.00 61.14 H new ATOM 0 HA ARG A 48 4.200 0.033 -7.162 1.00 51.32 H new ATOM 0 HB2 ARG A 48 6.220 -0.576 -8.532 1.00 33.04 H new ATOM 0 HB3 ARG A 48 5.175 -1.471 -9.617 1.00 33.04 H new ATOM 0 HG2 ARG A 48 3.939 0.634 -10.162 1.00 54.33 H new ATOM 0 HG3 ARG A 48 4.986 1.528 -9.078 1.00 54.33 H new ATOM 0 HD2 ARG A 48 6.971 0.801 -10.478 1.00 25.21 H new ATOM 0 HD3 ARG A 48 5.856 0.042 -11.599 1.00 25.21 H new ATOM 0 HE ARG A 48 4.832 2.456 -11.763 1.00 2.34 H new ATOM 0 HH11 ARG A 48 8.300 1.757 -11.290 1.00 24.43 H new ATOM 0 HH12 ARG A 48 8.812 3.239 -12.104 1.00 24.43 H new ATOM 0 HH21 ARG A 48 5.534 4.326 -12.794 1.00 45.02 H new ATOM 0 HH22 ARG A 48 7.259 4.677 -12.946 1.00 45.02 H new ATOM 773 N ASN A 49 2.606 -2.376 -8.758 1.00 54.31 N ATOM 774 CA ASN A 49 1.312 -2.889 -9.216 1.00 20.11 C ATOM 775 C ASN A 49 0.277 -2.816 -8.070 1.00 50.54 C ATOM 776 O ASN A 49 -0.844 -2.341 -8.273 1.00 63.42 O ATOM 777 CB ASN A 49 1.518 -4.342 -9.717 1.00 34.31 C ATOM 778 CG ASN A 49 0.328 -4.966 -10.445 1.00 64.12 C ATOM 779 OD1 ASN A 49 -0.832 -4.677 -10.171 1.00 23.12 O ATOM 780 ND2 ASN A 49 0.615 -5.856 -11.377 1.00 11.42 N ATOM 0 H ASN A 49 3.356 -3.064 -8.821 1.00 54.31 H new ATOM 0 HA ASN A 49 0.924 -2.284 -10.035 1.00 20.11 H new ATOM 0 HB2 ASN A 49 2.379 -4.358 -10.386 1.00 34.31 H new ATOM 0 HB3 ASN A 49 1.767 -4.970 -8.862 1.00 34.31 H new ATOM 0 HD21 ASN A 49 -0.136 -6.320 -11.887 1.00 11.42 H new ATOM 0 HD22 ASN A 49 1.588 -6.079 -11.587 1.00 11.42 H new ATOM 787 N ALA A 50 0.700 -3.239 -6.860 1.00 53.44 N ATOM 788 CA ALA A 50 -0.152 -3.243 -5.654 1.00 41.34 C ATOM 789 C ALA A 50 -0.605 -1.831 -5.243 1.00 55.03 C ATOM 790 O ALA A 50 -1.791 -1.613 -4.999 1.00 42.44 O ATOM 791 CB ALA A 50 0.573 -3.929 -4.488 1.00 43.21 C ATOM 0 H ALA A 50 1.644 -3.588 -6.693 1.00 53.44 H new ATOM 0 HA ALA A 50 -1.051 -3.807 -5.904 1.00 41.34 H new ATOM 0 HB1 ALA A 50 -0.069 -3.923 -3.607 1.00 43.21 H new ATOM 0 HB2 ALA A 50 0.807 -4.958 -4.760 1.00 43.21 H new ATOM 0 HB3 ALA A 50 1.496 -3.393 -4.268 1.00 43.21 H new ATOM 797 N LEU A 51 0.346 -0.879 -5.162 1.00 3.55 N ATOM 798 CA LEU A 51 0.053 0.503 -4.722 1.00 51.34 C ATOM 799 C LEU A 51 -0.703 1.301 -5.816 1.00 10.25 C ATOM 800 O LEU A 51 -1.397 2.279 -5.501 1.00 62.33 O ATOM 801 CB LEU A 51 1.352 1.260 -4.278 1.00 74.55 C ATOM 802 CG LEU A 51 2.249 0.645 -3.131 1.00 45.32 C ATOM 803 CD1 LEU A 51 3.403 1.607 -2.753 1.00 52.43 C ATOM 804 CD2 LEU A 51 1.457 0.266 -1.861 1.00 24.31 C ATOM 0 H LEU A 51 1.326 -1.041 -5.396 1.00 3.55 H new ATOM 0 HA LEU A 51 -0.599 0.426 -3.852 1.00 51.34 H new ATOM 0 HB2 LEU A 51 1.982 1.376 -5.160 1.00 74.55 H new ATOM 0 HB3 LEU A 51 1.057 2.261 -3.963 1.00 74.55 H new ATOM 0 HG LEU A 51 2.655 -0.279 -3.543 1.00 45.32 H new ATOM 0 HD11 LEU A 51 4.005 1.160 -1.962 1.00 52.43 H new ATOM 0 HD12 LEU A 51 4.028 1.786 -3.628 1.00 52.43 H new ATOM 0 HD13 LEU A 51 2.989 2.553 -2.403 1.00 52.43 H new ATOM 0 HD21 LEU A 51 2.138 -0.149 -1.118 1.00 24.31 H new ATOM 0 HD22 LEU A 51 0.974 1.155 -1.454 1.00 24.31 H new ATOM 0 HD23 LEU A 51 0.699 -0.475 -2.113 1.00 24.31 H new ATOM 816 N ASN A 52 -0.571 0.879 -7.090 1.00 4.24 N ATOM 817 CA ASN A 52 -1.353 1.461 -8.209 1.00 63.03 C ATOM 818 C ASN A 52 -2.831 1.036 -8.116 1.00 13.20 C ATOM 819 O ASN A 52 -3.740 1.871 -8.267 1.00 3.13 O ATOM 820 CB ASN A 52 -0.748 1.108 -9.600 1.00 23.55 C ATOM 821 CG ASN A 52 0.515 1.921 -9.935 1.00 2.11 C ATOM 822 OD1 ASN A 52 1.308 2.257 -9.061 1.00 43.35 O ATOM 823 ND2 ASN A 52 0.684 2.276 -11.203 1.00 3.23 N ATOM 0 H ASN A 52 0.069 0.137 -7.373 1.00 4.24 H new ATOM 0 HA ASN A 52 -1.300 2.546 -8.114 1.00 63.03 H new ATOM 0 HB2 ASN A 52 -0.506 0.046 -9.625 1.00 23.55 H new ATOM 0 HB3 ASN A 52 -1.499 1.282 -10.371 1.00 23.55 H new ATOM 0 HD21 ASN A 52 1.489 2.842 -11.471 1.00 3.23 H new ATOM 0 HD22 ASN A 52 0.009 1.983 -11.909 1.00 3.23 H new ATOM 830 N ILE A 53 -3.054 -0.265 -7.834 1.00 4.30 N ATOM 831 CA ILE A 53 -4.407 -0.833 -7.633 1.00 32.34 C ATOM 832 C ILE A 53 -5.051 -0.224 -6.369 1.00 23.43 C ATOM 833 O ILE A 53 -6.260 0.073 -6.351 1.00 31.23 O ATOM 834 CB ILE A 53 -4.362 -2.408 -7.530 1.00 32.32 C ATOM 835 CG1 ILE A 53 -3.948 -3.038 -8.903 1.00 53.12 C ATOM 836 CG2 ILE A 53 -5.712 -2.994 -7.024 1.00 61.53 C ATOM 837 CD1 ILE A 53 -3.845 -4.550 -8.891 1.00 14.11 C ATOM 0 H ILE A 53 -2.305 -0.951 -7.739 1.00 4.30 H new ATOM 0 HA ILE A 53 -5.016 -0.578 -8.501 1.00 32.34 H new ATOM 0 HB ILE A 53 -3.605 -2.670 -6.791 1.00 32.32 H new ATOM 0 HG12 ILE A 53 -4.675 -2.741 -9.659 1.00 53.12 H new ATOM 0 HG13 ILE A 53 -2.986 -2.623 -9.205 1.00 53.12 H new ATOM 0 HG21 ILE A 53 -5.639 -4.080 -6.967 1.00 61.53 H new ATOM 0 HG22 ILE A 53 -5.935 -2.593 -6.035 1.00 61.53 H new ATOM 0 HG23 ILE A 53 -6.509 -2.720 -7.715 1.00 61.53 H new ATOM 0 HD11 ILE A 53 -3.554 -4.903 -9.880 1.00 14.11 H new ATOM 0 HD12 ILE A 53 -3.096 -4.858 -8.161 1.00 14.11 H new ATOM 0 HD13 ILE A 53 -4.811 -4.978 -8.623 1.00 14.11 H new ATOM 849 N ALA A 54 -4.213 -0.024 -5.340 1.00 73.12 N ATOM 850 CA ALA A 54 -4.618 0.579 -4.066 1.00 52.05 C ATOM 851 C ALA A 54 -5.185 1.988 -4.304 1.00 44.14 C ATOM 852 O ALA A 54 -6.348 2.262 -3.971 1.00 21.40 O ATOM 853 CB ALA A 54 -3.424 0.637 -3.094 1.00 23.21 C ATOM 0 H ALA A 54 -3.226 -0.280 -5.372 1.00 73.12 H new ATOM 0 HA ALA A 54 -5.396 -0.040 -3.618 1.00 52.05 H new ATOM 0 HB1 ALA A 54 -3.742 1.087 -2.154 1.00 23.21 H new ATOM 0 HB2 ALA A 54 -3.057 -0.372 -2.907 1.00 23.21 H new ATOM 0 HB3 ALA A 54 -2.627 1.237 -3.532 1.00 23.21 H new ATOM 859 N GLU A 55 -4.365 2.836 -4.963 1.00 41.45 N ATOM 860 CA GLU A 55 -4.662 4.254 -5.173 1.00 63.41 C ATOM 861 C GLU A 55 -5.880 4.481 -6.077 1.00 63.11 C ATOM 862 O GLU A 55 -6.745 5.287 -5.732 1.00 5.52 O ATOM 863 CB GLU A 55 -3.431 4.991 -5.735 1.00 1.55 C ATOM 864 CG GLU A 55 -3.699 6.466 -6.081 1.00 41.15 C ATOM 865 CD GLU A 55 -2.443 7.258 -6.425 1.00 45.12 C ATOM 866 OE1 GLU A 55 -1.987 7.182 -7.579 1.00 33.12 O ATOM 867 OE2 GLU A 55 -1.925 7.968 -5.546 1.00 52.02 O ATOM 0 H GLU A 55 -3.473 2.545 -5.364 1.00 41.45 H new ATOM 0 HA GLU A 55 -4.912 4.667 -4.196 1.00 63.41 H new ATOM 0 HB2 GLU A 55 -2.623 4.939 -5.005 1.00 1.55 H new ATOM 0 HB3 GLU A 55 -3.086 4.474 -6.630 1.00 1.55 H new ATOM 0 HG2 GLU A 55 -4.388 6.512 -6.925 1.00 41.15 H new ATOM 0 HG3 GLU A 55 -4.197 6.942 -5.237 1.00 41.15 H new ATOM 874 N LYS A 56 -5.967 3.749 -7.206 1.00 4.11 N ATOM 875 CA LYS A 56 -7.063 3.952 -8.191 1.00 71.14 C ATOM 876 C LYS A 56 -8.441 3.625 -7.571 1.00 73.14 C ATOM 877 O LYS A 56 -9.470 4.161 -8.000 1.00 42.43 O ATOM 878 CB LYS A 56 -6.837 3.128 -9.487 1.00 2.03 C ATOM 879 CG LYS A 56 -5.663 3.603 -10.366 1.00 12.52 C ATOM 880 CD LYS A 56 -5.854 5.054 -10.856 1.00 70.35 C ATOM 881 CE LYS A 56 -4.674 5.559 -11.699 1.00 5.41 C ATOM 882 NZ LYS A 56 -4.876 6.963 -12.154 1.00 70.11 N ATOM 0 H LYS A 56 -5.303 3.019 -7.462 1.00 4.11 H new ATOM 0 HA LYS A 56 -7.052 5.007 -8.465 1.00 71.14 H new ATOM 0 HB2 LYS A 56 -6.667 2.087 -9.212 1.00 2.03 H new ATOM 0 HB3 LYS A 56 -7.750 3.156 -10.081 1.00 2.03 H new ATOM 0 HG2 LYS A 56 -4.735 3.532 -9.799 1.00 12.52 H new ATOM 0 HG3 LYS A 56 -5.563 2.941 -11.226 1.00 12.52 H new ATOM 0 HD2 LYS A 56 -6.768 5.116 -11.446 1.00 70.35 H new ATOM 0 HD3 LYS A 56 -5.986 5.709 -9.995 1.00 70.35 H new ATOM 0 HE2 LYS A 56 -3.757 5.496 -11.114 1.00 5.41 H new ATOM 0 HE3 LYS A 56 -4.544 4.912 -12.566 1.00 5.41 H new ATOM 0 HZ1 LYS A 56 -4.057 7.266 -12.720 1.00 70.11 H new ATOM 0 HZ2 LYS A 56 -5.738 7.019 -12.734 1.00 70.11 H new ATOM 0 HZ3 LYS A 56 -4.974 7.585 -11.327 1.00 70.11 H new ATOM 896 N ALA A 57 -8.435 2.751 -6.553 1.00 4.40 N ATOM 897 CA ALA A 57 -9.631 2.413 -5.770 1.00 24.14 C ATOM 898 C ALA A 57 -9.845 3.432 -4.622 1.00 55.02 C ATOM 899 O ALA A 57 -10.990 3.652 -4.205 1.00 40.44 O ATOM 900 CB ALA A 57 -9.513 0.970 -5.247 1.00 12.22 C ATOM 0 H ALA A 57 -7.596 2.257 -6.249 1.00 4.40 H new ATOM 0 HA ALA A 57 -10.511 2.471 -6.410 1.00 24.14 H new ATOM 0 HB1 ALA A 57 -10.401 0.720 -4.666 1.00 12.22 H new ATOM 0 HB2 ALA A 57 -9.425 0.284 -6.089 1.00 12.22 H new ATOM 0 HB3 ALA A 57 -8.629 0.883 -4.615 1.00 12.22 H new ATOM 906 N LEU A 58 -8.735 4.028 -4.092 1.00 13.31 N ATOM 907 CA LEU A 58 -8.813 5.144 -3.100 1.00 61.11 C ATOM 908 C LEU A 58 -9.516 6.368 -3.738 1.00 51.52 C ATOM 909 O LEU A 58 -10.282 7.065 -3.065 1.00 15.44 O ATOM 910 CB LEU A 58 -7.398 5.606 -2.562 1.00 21.21 C ATOM 911 CG LEU A 58 -6.433 4.572 -1.768 1.00 5.32 C ATOM 912 CD1 LEU A 58 -5.002 5.146 -1.457 1.00 40.21 C ATOM 913 CD2 LEU A 58 -7.020 3.975 -0.439 1.00 42.13 C ATOM 0 H LEU A 58 -7.782 3.756 -4.334 1.00 13.31 H new ATOM 0 HA LEU A 58 -9.380 4.757 -2.253 1.00 61.11 H new ATOM 0 HB2 LEU A 58 -6.835 5.976 -3.419 1.00 21.21 H new ATOM 0 HB3 LEU A 58 -7.569 6.456 -1.902 1.00 21.21 H new ATOM 0 HG LEU A 58 -6.356 3.760 -2.491 1.00 5.32 H new ATOM 0 HD11 LEU A 58 -4.417 4.396 -0.925 1.00 40.21 H new ATOM 0 HD12 LEU A 58 -4.501 5.401 -2.391 1.00 40.21 H new ATOM 0 HD13 LEU A 58 -5.095 6.039 -0.839 1.00 40.21 H new ATOM 0 HD21 LEU A 58 -6.292 3.298 0.008 1.00 42.13 H new ATOM 0 HD22 LEU A 58 -7.239 4.784 0.258 1.00 42.13 H new ATOM 0 HD23 LEU A 58 -7.937 3.428 -0.660 1.00 42.13 H new ATOM 925 N ASP A 59 -9.244 6.611 -5.040 1.00 23.41 N ATOM 926 CA ASP A 59 -9.857 7.720 -5.811 1.00 74.02 C ATOM 927 C ASP A 59 -11.376 7.537 -5.925 1.00 33.24 C ATOM 928 O ASP A 59 -12.139 8.508 -5.884 1.00 41.01 O ATOM 929 CB ASP A 59 -9.255 7.822 -7.238 1.00 22.24 C ATOM 930 CG ASP A 59 -7.761 8.178 -7.260 1.00 71.30 C ATOM 931 OD1 ASP A 59 -7.416 9.314 -6.885 1.00 74.10 O ATOM 932 OD2 ASP A 59 -6.931 7.354 -7.694 1.00 14.25 O ATOM 0 H ASP A 59 -8.594 6.046 -5.587 1.00 23.41 H new ATOM 0 HA ASP A 59 -9.640 8.639 -5.267 1.00 74.02 H new ATOM 0 HB2 ASP A 59 -9.399 6.871 -7.751 1.00 22.24 H new ATOM 0 HB3 ASP A 59 -9.806 8.575 -7.801 1.00 22.24 H new ATOM 937 N ASN A 60 -11.795 6.275 -6.091 1.00 32.54 N ATOM 938 CA ASN A 60 -13.216 5.910 -6.182 1.00 4.44 C ATOM 939 C ASN A 60 -13.809 5.662 -4.778 1.00 3.31 C ATOM 940 O ASN A 60 -15.037 5.603 -4.638 1.00 25.13 O ATOM 941 CB ASN A 60 -13.415 4.677 -7.120 1.00 22.11 C ATOM 942 CG ASN A 60 -12.945 4.938 -8.558 1.00 34.34 C ATOM 943 OD1 ASN A 60 -12.026 5.717 -8.801 1.00 23.10 O ATOM 944 ND2 ASN A 60 -13.568 4.285 -9.521 1.00 62.31 N ATOM 0 H ASN A 60 -11.160 5.480 -6.166 1.00 32.54 H new ATOM 0 HA ASN A 60 -13.758 6.746 -6.624 1.00 4.44 H new ATOM 0 HB2 ASN A 60 -12.869 3.826 -6.714 1.00 22.11 H new ATOM 0 HB3 ASN A 60 -14.470 4.403 -7.132 1.00 22.11 H new ATOM 0 HD21 ASN A 60 -13.290 4.422 -10.493 1.00 62.31 H new ATOM 0 HD22 ASN A 60 -14.328 3.644 -9.294 1.00 62.31 H new ATOM 951 N SER A 61 -12.921 5.550 -3.755 1.00 73.21 N ATOM 952 CA SER A 61 -13.284 5.392 -2.334 1.00 12.23 C ATOM 953 C SER A 61 -14.350 4.304 -2.114 1.00 62.34 C ATOM 954 O SER A 61 -15.444 4.598 -1.616 1.00 2.13 O ATOM 955 CB SER A 61 -13.730 6.750 -1.741 1.00 55.10 C ATOM 956 OG SER A 61 -12.698 7.720 -1.811 1.00 53.12 O ATOM 0 H SER A 61 -11.912 5.568 -3.906 1.00 73.21 H new ATOM 0 HA SER A 61 -12.393 5.055 -1.804 1.00 12.23 H new ATOM 0 HB2 SER A 61 -14.606 7.112 -2.280 1.00 55.10 H new ATOM 0 HB3 SER A 61 -14.029 6.612 -0.702 1.00 55.10 H new ATOM 0 HG SER A 61 -11.923 7.340 -2.275 1.00 53.12 H new ATOM 962 N GLU A 62 -14.040 3.064 -2.536 1.00 54.42 N ATOM 963 CA GLU A 62 -14.993 1.946 -2.449 1.00 72.21 C ATOM 964 C GLU A 62 -15.277 1.587 -0.966 1.00 32.32 C ATOM 965 O GLU A 62 -16.396 1.801 -0.500 1.00 5.21 O ATOM 966 CB GLU A 62 -14.510 0.739 -3.316 1.00 65.30 C ATOM 967 CG GLU A 62 -14.575 0.997 -4.833 1.00 21.52 C ATOM 968 CD GLU A 62 -15.995 1.290 -5.345 1.00 20.12 C ATOM 969 OE1 GLU A 62 -16.860 0.388 -5.267 1.00 71.02 O ATOM 970 OE2 GLU A 62 -16.250 2.407 -5.842 1.00 3.25 O ATOM 0 H GLU A 62 -13.138 2.813 -2.940 1.00 54.42 H new ATOM 0 HA GLU A 62 -15.951 2.248 -2.872 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -13.484 0.495 -3.042 1.00 65.30 H new ATOM 0 HB3 GLU A 62 -15.119 -0.133 -3.079 1.00 65.30 H new ATOM 0 HG2 GLU A 62 -13.928 1.839 -5.078 1.00 21.52 H new ATOM 0 HG3 GLU A 62 -14.180 0.128 -5.359 1.00 21.52 H new ATOM 977 N TYR A 63 -14.265 1.089 -0.226 1.00 53.33 N ATOM 978 CA TYR A 63 -14.296 0.948 1.241 1.00 72.03 C ATOM 979 C TYR A 63 -12.845 0.961 1.758 1.00 72.20 C ATOM 980 O TYR A 63 -11.923 0.454 1.098 1.00 63.10 O ATOM 981 CB TYR A 63 -15.003 -0.359 1.727 1.00 71.21 C ATOM 982 CG TYR A 63 -16.509 -0.450 1.458 1.00 12.20 C ATOM 983 CD1 TYR A 63 -17.015 -1.170 0.367 1.00 62.52 C ATOM 984 CD2 TYR A 63 -17.425 0.208 2.279 1.00 31.04 C ATOM 985 CE1 TYR A 63 -18.370 -1.227 0.114 1.00 61.54 C ATOM 986 CE2 TYR A 63 -18.780 0.146 2.028 1.00 75.02 C ATOM 987 CZ TYR A 63 -19.246 -0.568 0.945 1.00 32.31 C ATOM 988 OH TYR A 63 -20.598 -0.623 0.689 1.00 14.24 O ATOM 0 H TYR A 63 -13.389 0.769 -0.640 1.00 53.33 H new ATOM 0 HA TYR A 63 -14.877 1.781 1.638 1.00 72.03 H new ATOM 0 HB2 TYR A 63 -14.517 -1.210 1.250 1.00 71.21 H new ATOM 0 HB3 TYR A 63 -14.839 -0.459 2.800 1.00 71.21 H new ATOM 0 HD1 TYR A 63 -16.331 -1.690 -0.288 1.00 62.52 H new ATOM 0 HD2 TYR A 63 -17.067 0.776 3.125 1.00 31.04 H new ATOM 0 HE1 TYR A 63 -18.741 -1.786 -0.732 1.00 61.54 H new ATOM 0 HE2 TYR A 63 -19.475 0.656 2.679 1.00 75.02 H new ATOM 0 HH TYR A 63 -21.081 -0.107 1.368 1.00 14.24 H new ATOM 998 N LEU A 64 -12.676 1.441 2.997 1.00 13.42 N ATOM 999 CA LEU A 64 -11.320 1.586 3.616 1.00 75.34 C ATOM 1000 C LEU A 64 -10.858 0.193 4.095 1.00 70.03 C ATOM 1001 O LEU A 64 -9.753 -0.218 3.748 1.00 21.33 O ATOM 1002 CB LEU A 64 -11.191 2.681 4.772 1.00 33.33 C ATOM 1003 CG LEU A 64 -10.643 4.144 4.452 1.00 25.34 C ATOM 1004 CD1 LEU A 64 -9.148 4.143 4.020 1.00 64.50 C ATOM 1005 CD2 LEU A 64 -11.508 4.982 3.467 1.00 13.24 C ATOM 0 H LEU A 64 -13.444 1.738 3.599 1.00 13.42 H new ATOM 0 HA LEU A 64 -10.663 1.978 2.840 1.00 75.34 H new ATOM 0 HB2 LEU A 64 -12.181 2.799 5.214 1.00 33.33 H new ATOM 0 HB3 LEU A 64 -10.546 2.259 5.543 1.00 33.33 H new ATOM 0 HG LEU A 64 -10.725 4.656 5.411 1.00 25.34 H new ATOM 0 HD11 LEU A 64 -8.828 5.165 3.815 1.00 64.50 H new ATOM 0 HD12 LEU A 64 -8.538 3.726 4.821 1.00 64.50 H new ATOM 0 HD13 LEU A 64 -9.029 3.538 3.121 1.00 64.50 H new ATOM 0 HD21 LEU A 64 -11.047 5.958 3.318 1.00 13.24 H new ATOM 0 HD22 LEU A 64 -11.576 4.463 2.511 1.00 13.24 H new ATOM 0 HD23 LEU A 64 -12.508 5.112 3.881 1.00 13.24 H new ATOM 1017 N PRO A 65 -11.705 -0.587 4.870 1.00 54.22 N ATOM 1018 CA PRO A 65 -11.410 -2.012 5.170 1.00 24.14 C ATOM 1019 C PRO A 65 -11.216 -2.896 3.914 1.00 73.14 C ATOM 1020 O PRO A 65 -10.570 -3.945 3.998 1.00 13.31 O ATOM 1021 CB PRO A 65 -12.662 -2.469 5.970 1.00 20.54 C ATOM 1022 CG PRO A 65 -13.182 -1.220 6.606 1.00 64.11 C ATOM 1023 CD PRO A 65 -12.963 -0.148 5.573 1.00 21.14 C ATOM 0 HA PRO A 65 -10.466 -2.113 5.706 1.00 24.14 H new ATOM 0 HB2 PRO A 65 -13.408 -2.920 5.315 1.00 20.54 H new ATOM 0 HB3 PRO A 65 -12.402 -3.217 6.719 1.00 20.54 H new ATOM 0 HG2 PRO A 65 -14.237 -1.315 6.861 1.00 64.11 H new ATOM 0 HG3 PRO A 65 -12.650 -0.995 7.530 1.00 64.11 H new ATOM 0 HD2 PRO A 65 -13.804 -0.078 4.883 1.00 21.14 H new ATOM 0 HD3 PRO A 65 -12.844 0.833 6.032 1.00 21.14 H new ATOM 1031 N LYS A 66 -11.769 -2.465 2.749 1.00 1.05 N ATOM 1032 CA LYS A 66 -11.717 -3.263 1.506 1.00 54.04 C ATOM 1033 C LYS A 66 -10.346 -3.129 0.848 1.00 33.11 C ATOM 1034 O LYS A 66 -9.770 -4.128 0.409 1.00 53.54 O ATOM 1035 CB LYS A 66 -12.856 -2.867 0.520 1.00 51.03 C ATOM 1036 CG LYS A 66 -12.919 -3.665 -0.806 1.00 72.13 C ATOM 1037 CD LYS A 66 -13.072 -5.187 -0.584 1.00 11.31 C ATOM 1038 CE LYS A 66 -13.245 -5.956 -1.898 1.00 74.43 C ATOM 1039 NZ LYS A 66 -12.161 -5.664 -2.879 1.00 72.32 N ATOM 0 H LYS A 66 -12.253 -1.572 2.650 1.00 1.05 H new ATOM 0 HA LYS A 66 -11.873 -4.309 1.770 1.00 54.04 H new ATOM 0 HB2 LYS A 66 -13.810 -2.981 1.035 1.00 51.03 H new ATOM 0 HB3 LYS A 66 -12.749 -1.809 0.279 1.00 51.03 H new ATOM 0 HG2 LYS A 66 -13.757 -3.304 -1.402 1.00 72.13 H new ATOM 0 HG3 LYS A 66 -12.013 -3.476 -1.382 1.00 72.13 H new ATOM 0 HD2 LYS A 66 -12.195 -5.564 -0.058 1.00 11.31 H new ATOM 0 HD3 LYS A 66 -13.933 -5.373 0.058 1.00 11.31 H new ATOM 0 HE2 LYS A 66 -13.263 -7.026 -1.689 1.00 74.43 H new ATOM 0 HE3 LYS A 66 -14.208 -5.701 -2.340 1.00 74.43 H new ATOM 0 HZ1 LYS A 66 -12.277 -6.271 -3.716 1.00 72.32 H new ATOM 0 HZ2 LYS A 66 -12.212 -4.666 -3.166 1.00 72.32 H new ATOM 0 HZ3 LYS A 66 -11.237 -5.852 -2.441 1.00 72.32 H new ATOM 1053 N ILE A 67 -9.827 -1.889 0.792 1.00 64.21 N ATOM 1054 CA ILE A 67 -8.519 -1.620 0.168 1.00 74.24 C ATOM 1055 C ILE A 67 -7.367 -1.995 1.115 1.00 30.11 C ATOM 1056 O ILE A 67 -6.299 -2.404 0.656 1.00 61.23 O ATOM 1057 CB ILE A 67 -8.415 -0.125 -0.276 1.00 2.44 C ATOM 1058 CG1 ILE A 67 -9.641 0.220 -1.173 1.00 31.13 C ATOM 1059 CG2 ILE A 67 -7.078 0.157 -1.021 1.00 74.05 C ATOM 1060 CD1 ILE A 67 -9.655 1.631 -1.700 1.00 63.12 C ATOM 0 H ILE A 67 -10.290 -1.062 1.169 1.00 64.21 H new ATOM 0 HA ILE A 67 -8.435 -2.244 -0.721 1.00 74.24 H new ATOM 0 HB ILE A 67 -8.421 0.511 0.609 1.00 2.44 H new ATOM 0 HG12 ILE A 67 -9.662 -0.469 -2.017 1.00 31.13 H new ATOM 0 HG13 ILE A 67 -10.553 0.051 -0.600 1.00 31.13 H new ATOM 0 HG21 ILE A 67 -7.040 1.206 -1.315 1.00 74.05 H new ATOM 0 HG22 ILE A 67 -6.240 -0.066 -0.361 1.00 74.05 H new ATOM 0 HG23 ILE A 67 -7.017 -0.471 -1.909 1.00 74.05 H new ATOM 0 HD11 ILE A 67 -10.543 1.781 -2.313 1.00 63.12 H new ATOM 0 HD12 ILE A 67 -9.668 2.331 -0.865 1.00 63.12 H new ATOM 0 HD13 ILE A 67 -8.764 1.803 -2.304 1.00 63.12 H new ATOM 1072 N ILE A 68 -7.606 -1.868 2.431 1.00 60.04 N ATOM 1073 CA ILE A 68 -6.650 -2.305 3.460 1.00 40.01 C ATOM 1074 C ILE A 68 -6.499 -3.838 3.406 1.00 63.31 C ATOM 1075 O ILE A 68 -5.364 -4.350 3.432 1.00 55.33 O ATOM 1076 CB ILE A 68 -7.077 -1.820 4.894 1.00 72.55 C ATOM 1077 CG1 ILE A 68 -6.809 -0.284 5.052 1.00 62.03 C ATOM 1078 CG2 ILE A 68 -6.371 -2.631 6.000 1.00 54.24 C ATOM 1079 CD1 ILE A 68 -7.315 0.298 6.353 1.00 12.31 C ATOM 0 H ILE A 68 -8.462 -1.462 2.809 1.00 60.04 H new ATOM 0 HA ILE A 68 -5.683 -1.848 3.252 1.00 40.01 H new ATOM 0 HB ILE A 68 -8.147 -1.994 5.006 1.00 72.55 H new ATOM 0 HG12 ILE A 68 -5.737 -0.103 4.978 1.00 62.03 H new ATOM 0 HG13 ILE A 68 -7.280 0.244 4.222 1.00 62.03 H new ATOM 0 HG21 ILE A 68 -6.690 -2.268 6.977 1.00 54.24 H new ATOM 0 HG22 ILE A 68 -6.632 -3.685 5.901 1.00 54.24 H new ATOM 0 HG23 ILE A 68 -5.292 -2.514 5.904 1.00 54.24 H new ATOM 0 HD11 ILE A 68 -7.091 1.364 6.386 1.00 12.31 H new ATOM 0 HD12 ILE A 68 -8.393 0.151 6.423 1.00 12.31 H new ATOM 0 HD13 ILE A 68 -6.826 -0.201 7.189 1.00 12.31 H new ATOM 1091 N LEU A 69 -7.650 -4.553 3.312 1.00 51.53 N ATOM 1092 CA LEU A 69 -7.655 -6.007 3.090 1.00 1.10 C ATOM 1093 C LEU A 69 -6.872 -6.322 1.804 1.00 65.24 C ATOM 1094 O LEU A 69 -5.915 -7.074 1.846 1.00 11.04 O ATOM 1095 CB LEU A 69 -9.106 -6.571 2.989 1.00 51.32 C ATOM 1096 CG LEU A 69 -9.216 -8.145 2.735 1.00 41.44 C ATOM 1097 CD1 LEU A 69 -8.375 -8.974 3.741 1.00 0.03 C ATOM 1098 CD2 LEU A 69 -10.678 -8.698 2.695 1.00 4.33 C ATOM 0 H LEU A 69 -8.579 -4.140 3.387 1.00 51.53 H new ATOM 0 HA LEU A 69 -7.179 -6.488 3.944 1.00 1.10 H new ATOM 0 HB2 LEU A 69 -9.635 -6.332 3.911 1.00 51.32 H new ATOM 0 HB3 LEU A 69 -9.623 -6.053 2.181 1.00 51.32 H new ATOM 0 HG LEU A 69 -8.801 -8.269 1.735 1.00 41.44 H new ATOM 0 HD11 LEU A 69 -8.487 -10.036 3.521 1.00 0.03 H new ATOM 0 HD12 LEU A 69 -7.325 -8.695 3.654 1.00 0.03 H new ATOM 0 HD13 LEU A 69 -8.721 -8.775 4.755 1.00 0.03 H new ATOM 0 HD21 LEU A 69 -10.656 -9.773 2.518 1.00 4.33 H new ATOM 0 HD22 LEU A 69 -11.169 -8.497 3.647 1.00 4.33 H new ATOM 0 HD23 LEU A 69 -11.230 -8.210 1.892 1.00 4.33 H new ATOM 1110 N ASN A 70 -7.249 -5.644 0.703 1.00 34.35 N ATOM 1111 CA ASN A 70 -6.684 -5.861 -0.647 1.00 55.41 C ATOM 1112 C ASN A 70 -5.150 -5.665 -0.691 1.00 1.33 C ATOM 1113 O ASN A 70 -4.437 -6.445 -1.342 1.00 43.51 O ATOM 1114 CB ASN A 70 -7.406 -4.935 -1.668 1.00 22.15 C ATOM 1115 CG ASN A 70 -6.820 -5.000 -3.079 1.00 31.41 C ATOM 1116 OD1 ASN A 70 -7.110 -5.921 -3.830 1.00 1.20 O ATOM 1117 ND2 ASN A 70 -6.017 -4.022 -3.453 1.00 31.15 N ATOM 0 H ASN A 70 -7.966 -4.918 0.725 1.00 34.35 H new ATOM 0 HA ASN A 70 -6.859 -6.902 -0.920 1.00 55.41 H new ATOM 0 HB2 ASN A 70 -8.461 -5.207 -1.709 1.00 22.15 H new ATOM 0 HB3 ASN A 70 -7.356 -3.906 -1.311 1.00 22.15 H new ATOM 0 HD21 ASN A 70 -5.619 -4.020 -4.392 1.00 31.15 H new ATOM 0 HD22 ASN A 70 -5.794 -3.268 -2.803 1.00 31.15 H new ATOM 1124 N LEU A 71 -4.649 -4.658 0.046 1.00 62.24 N ATOM 1125 CA LEU A 71 -3.211 -4.330 0.073 1.00 30.21 C ATOM 1126 C LEU A 71 -2.484 -5.399 0.899 1.00 75.11 C ATOM 1127 O LEU A 71 -1.378 -5.826 0.551 1.00 12.22 O ATOM 1128 CB LEU A 71 -3.007 -2.884 0.655 1.00 44.11 C ATOM 1129 CG LEU A 71 -1.592 -2.156 0.563 1.00 43.33 C ATOM 1130 CD1 LEU A 71 -0.576 -2.650 1.616 1.00 10.31 C ATOM 1131 CD2 LEU A 71 -0.965 -2.203 -0.855 1.00 5.04 C ATOM 0 H LEU A 71 -5.222 -4.053 0.635 1.00 62.24 H new ATOM 0 HA LEU A 71 -2.792 -4.331 -0.933 1.00 30.21 H new ATOM 0 HB2 LEU A 71 -3.732 -2.236 0.163 1.00 44.11 H new ATOM 0 HB3 LEU A 71 -3.278 -2.923 1.710 1.00 44.11 H new ATOM 0 HG LEU A 71 -1.817 -1.114 0.789 1.00 43.33 H new ATOM 0 HD11 LEU A 71 0.364 -2.112 1.495 1.00 10.31 H new ATOM 0 HD12 LEU A 71 -0.971 -2.470 2.616 1.00 10.31 H new ATOM 0 HD13 LEU A 71 -0.403 -3.718 1.482 1.00 10.31 H new ATOM 0 HD21 LEU A 71 -0.004 -1.689 -0.845 1.00 5.04 H new ATOM 0 HD22 LEU A 71 -0.818 -3.241 -1.154 1.00 5.04 H new ATOM 0 HD23 LEU A 71 -1.632 -1.712 -1.564 1.00 5.04 H new ATOM 1143 N ARG A 72 -3.152 -5.852 1.977 1.00 21.45 N ATOM 1144 CA ARG A 72 -2.649 -6.946 2.825 1.00 72.40 C ATOM 1145 C ARG A 72 -2.747 -8.291 2.065 1.00 23.15 C ATOM 1146 O ARG A 72 -1.944 -9.182 2.292 1.00 52.51 O ATOM 1147 CB ARG A 72 -3.400 -7.015 4.199 1.00 71.11 C ATOM 1148 CG ARG A 72 -2.813 -8.042 5.185 1.00 54.53 C ATOM 1149 CD ARG A 72 -3.614 -8.130 6.487 1.00 44.33 C ATOM 1150 NE ARG A 72 -4.984 -8.622 6.274 1.00 30.40 N ATOM 1151 CZ ARG A 72 -6.056 -8.252 6.996 1.00 4.43 C ATOM 1152 NH1 ARG A 72 -5.955 -7.359 7.976 1.00 15.25 N ATOM 1153 NH2 ARG A 72 -7.230 -8.786 6.737 1.00 3.40 N ATOM 0 H ARG A 72 -4.048 -5.472 2.282 1.00 21.45 H new ATOM 0 HA ARG A 72 -1.602 -6.745 3.050 1.00 72.40 H new ATOM 0 HB2 ARG A 72 -3.379 -6.029 4.663 1.00 71.11 H new ATOM 0 HB3 ARG A 72 -4.447 -7.259 4.017 1.00 71.11 H new ATOM 0 HG2 ARG A 72 -2.788 -9.023 4.711 1.00 54.53 H new ATOM 0 HG3 ARG A 72 -1.782 -7.773 5.414 1.00 54.53 H new ATOM 0 HD2 ARG A 72 -3.098 -8.791 7.183 1.00 44.33 H new ATOM 0 HD3 ARG A 72 -3.653 -7.145 6.953 1.00 44.33 H new ATOM 0 HE ARG A 72 -5.132 -9.295 5.522 1.00 30.40 H new ATOM 0 HH11 ARG A 72 -5.051 -6.940 8.193 1.00 15.25 H new ATOM 0 HH12 ARG A 72 -6.782 -7.093 8.511 1.00 15.25 H new ATOM 0 HH21 ARG A 72 -7.323 -9.477 5.992 1.00 3.40 H new ATOM 0 HH22 ARG A 72 -8.047 -8.510 7.281 1.00 3.40 H new ATOM 1167 N LYS A 73 -3.698 -8.417 1.113 1.00 13.21 N ATOM 1168 CA LYS A 73 -3.899 -9.666 0.345 1.00 20.03 C ATOM 1169 C LYS A 73 -2.867 -9.741 -0.770 1.00 71.11 C ATOM 1170 O LYS A 73 -2.518 -10.828 -1.213 1.00 34.42 O ATOM 1171 CB LYS A 73 -5.338 -9.752 -0.249 1.00 10.21 C ATOM 1172 CG LYS A 73 -6.466 -9.912 0.786 1.00 53.30 C ATOM 1173 CD LYS A 73 -6.478 -11.270 1.525 1.00 34.21 C ATOM 1174 CE LYS A 73 -7.093 -12.415 0.702 1.00 52.50 C ATOM 1175 NZ LYS A 73 -6.312 -12.747 -0.506 1.00 51.12 N ATOM 0 H LYS A 73 -4.340 -7.667 0.858 1.00 13.21 H new ATOM 0 HA LYS A 73 -3.775 -10.510 1.024 1.00 20.03 H new ATOM 0 HB2 LYS A 73 -5.527 -8.851 -0.833 1.00 10.21 H new ATOM 0 HB3 LYS A 73 -5.379 -10.594 -0.940 1.00 10.21 H new ATOM 0 HG2 LYS A 73 -6.380 -9.114 1.523 1.00 53.30 H new ATOM 0 HG3 LYS A 73 -7.424 -9.779 0.283 1.00 53.30 H new ATOM 0 HD2 LYS A 73 -5.456 -11.536 1.795 1.00 34.21 H new ATOM 0 HD3 LYS A 73 -7.036 -11.163 2.455 1.00 34.21 H new ATOM 0 HE2 LYS A 73 -7.174 -13.302 1.330 1.00 52.50 H new ATOM 0 HE3 LYS A 73 -8.106 -12.139 0.408 1.00 52.50 H new ATOM 0 HZ1 LYS A 73 -6.443 -13.752 -0.739 1.00 51.12 H new ATOM 0 HZ2 LYS A 73 -6.638 -12.162 -1.302 1.00 51.12 H new ATOM 0 HZ3 LYS A 73 -5.304 -12.561 -0.330 1.00 51.12 H new ATOM 1189 N ALA A 74 -2.405 -8.565 -1.224 1.00 71.55 N ATOM 1190 CA ALA A 74 -1.361 -8.457 -2.230 1.00 72.14 C ATOM 1191 C ALA A 74 0.030 -8.667 -1.600 1.00 14.31 C ATOM 1192 O ALA A 74 0.879 -9.336 -2.194 1.00 5.45 O ATOM 1193 CB ALA A 74 -1.456 -7.098 -2.950 1.00 5.21 C ATOM 0 H ALA A 74 -2.753 -7.664 -0.896 1.00 71.55 H new ATOM 0 HA ALA A 74 -1.505 -9.243 -2.971 1.00 72.14 H new ATOM 0 HB1 ALA A 74 -0.669 -7.028 -3.701 1.00 5.21 H new ATOM 0 HB2 ALA A 74 -2.429 -7.010 -3.434 1.00 5.21 H new ATOM 0 HB3 ALA A 74 -1.337 -6.293 -2.225 1.00 5.21 H new ATOM 1199 N LEU A 75 0.267 -8.119 -0.383 1.00 34.10 N ATOM 1200 CA LEU A 75 1.626 -8.136 0.220 1.00 11.54 C ATOM 1201 C LEU A 75 1.914 -9.376 1.108 1.00 53.43 C ATOM 1202 O LEU A 75 3.076 -9.828 1.142 1.00 71.31 O ATOM 1203 CB LEU A 75 1.956 -6.823 1.015 1.00 53.02 C ATOM 1204 CG LEU A 75 1.922 -5.425 0.267 1.00 54.13 C ATOM 1205 CD1 LEU A 75 2.577 -4.319 1.139 1.00 12.43 C ATOM 1206 CD2 LEU A 75 2.559 -5.440 -1.153 1.00 33.22 C ATOM 0 H LEU A 75 -0.446 -7.669 0.191 1.00 34.10 H new ATOM 0 HA LEU A 75 2.290 -8.199 -0.642 1.00 11.54 H new ATOM 0 HB2 LEU A 75 1.258 -6.763 1.850 1.00 53.02 H new ATOM 0 HB3 LEU A 75 2.953 -6.941 1.440 1.00 53.02 H new ATOM 0 HG LEU A 75 0.865 -5.203 0.117 1.00 54.13 H new ATOM 0 HD11 LEU A 75 2.543 -3.368 0.607 1.00 12.43 H new ATOM 0 HD12 LEU A 75 2.034 -4.228 2.080 1.00 12.43 H new ATOM 0 HD13 LEU A 75 3.615 -4.583 1.343 1.00 12.43 H new ATOM 0 HD21 LEU A 75 2.493 -4.444 -1.592 1.00 33.22 H new ATOM 0 HD22 LEU A 75 3.606 -5.735 -1.079 1.00 33.22 H new ATOM 0 HD23 LEU A 75 2.025 -6.151 -1.784 1.00 33.22 H new ATOM 1218 N THR A 76 0.892 -9.937 1.804 1.00 41.35 N ATOM 1219 CA THR A 76 1.107 -11.095 2.721 1.00 11.31 C ATOM 1220 C THR A 76 1.710 -12.348 1.997 1.00 64.31 C ATOM 1221 O THR A 76 2.678 -12.910 2.522 1.00 74.13 O ATOM 1222 CB THR A 76 -0.176 -11.512 3.539 1.00 71.35 C ATOM 1223 OG1 THR A 76 -0.640 -10.403 4.309 1.00 1.54 O ATOM 1224 CG2 THR A 76 0.099 -12.692 4.493 1.00 52.14 C ATOM 0 H THR A 76 -0.075 -9.616 1.752 1.00 41.35 H new ATOM 0 HA THR A 76 1.842 -10.726 3.437 1.00 11.31 H new ATOM 0 HB THR A 76 -0.930 -11.824 2.816 1.00 71.35 H new ATOM 0 HG1 THR A 76 -0.994 -9.714 3.709 1.00 1.54 H new ATOM 0 HG21 THR A 76 -0.813 -12.943 5.034 1.00 52.14 H new ATOM 0 HG22 THR A 76 0.428 -13.557 3.917 1.00 52.14 H new ATOM 0 HG23 THR A 76 0.877 -12.412 5.203 1.00 52.14 H new ATOM 1232 N PRO A 77 1.211 -12.796 0.772 1.00 4.13 N ATOM 1233 CA PRO A 77 1.813 -13.959 0.061 1.00 10.21 C ATOM 1234 C PRO A 77 3.278 -13.717 -0.341 1.00 22.25 C ATOM 1235 O PRO A 77 4.116 -14.618 -0.228 1.00 42.21 O ATOM 1236 CB PRO A 77 0.912 -14.156 -1.195 1.00 22.03 C ATOM 1237 CG PRO A 77 -0.354 -13.451 -0.848 1.00 60.04 C ATOM 1238 CD PRO A 77 0.059 -12.265 -0.016 1.00 65.43 C ATOM 0 HA PRO A 77 1.845 -14.840 0.702 1.00 10.21 H new ATOM 0 HB2 PRO A 77 1.373 -13.732 -2.087 1.00 22.03 H new ATOM 0 HB3 PRO A 77 0.737 -15.212 -1.398 1.00 22.03 H new ATOM 0 HG2 PRO A 77 -0.885 -13.134 -1.746 1.00 60.04 H new ATOM 0 HG3 PRO A 77 -1.027 -14.104 -0.293 1.00 60.04 H new ATOM 0 HD2 PRO A 77 0.350 -11.418 -0.637 1.00 65.43 H new ATOM 0 HD3 PRO A 77 -0.750 -11.924 0.630 1.00 65.43 H new ATOM 1246 N LEU A 78 3.591 -12.473 -0.770 1.00 12.24 N ATOM 1247 CA LEU A 78 4.973 -12.095 -1.165 1.00 70.31 C ATOM 1248 C LEU A 78 5.901 -12.063 0.056 1.00 24.15 C ATOM 1249 O LEU A 78 7.107 -12.308 -0.068 1.00 1.13 O ATOM 1250 CB LEU A 78 5.045 -10.712 -1.893 1.00 51.31 C ATOM 1251 CG LEU A 78 4.067 -10.487 -3.105 1.00 41.44 C ATOM 1252 CD1 LEU A 78 4.170 -9.046 -3.680 1.00 61.52 C ATOM 1253 CD2 LEU A 78 4.257 -11.532 -4.245 1.00 2.42 C ATOM 0 H LEU A 78 2.912 -11.716 -0.852 1.00 12.24 H new ATOM 0 HA LEU A 78 5.301 -12.861 -1.867 1.00 70.31 H new ATOM 0 HB2 LEU A 78 4.855 -9.932 -1.156 1.00 51.31 H new ATOM 0 HB3 LEU A 78 6.065 -10.571 -2.251 1.00 51.31 H new ATOM 0 HG LEU A 78 3.066 -10.627 -2.696 1.00 41.44 H new ATOM 0 HD11 LEU A 78 3.477 -8.937 -4.514 1.00 61.52 H new ATOM 0 HD12 LEU A 78 3.918 -8.325 -2.902 1.00 61.52 H new ATOM 0 HD13 LEU A 78 5.187 -8.865 -4.027 1.00 61.52 H new ATOM 0 HD21 LEU A 78 3.554 -11.323 -5.051 1.00 2.42 H new ATOM 0 HD22 LEU A 78 5.276 -11.472 -4.627 1.00 2.42 H new ATOM 0 HD23 LEU A 78 4.074 -12.533 -3.855 1.00 2.42 H new ATOM 1265 N ALA A 79 5.322 -11.749 1.222 1.00 22.22 N ATOM 1266 CA ALA A 79 6.057 -11.709 2.489 1.00 15.11 C ATOM 1267 C ALA A 79 6.430 -13.140 2.921 1.00 21.11 C ATOM 1268 O ALA A 79 7.591 -13.415 3.239 1.00 52.21 O ATOM 1269 CB ALA A 79 5.235 -10.980 3.559 1.00 20.03 C ATOM 0 H ALA A 79 4.333 -11.516 1.312 1.00 22.22 H new ATOM 0 HA ALA A 79 6.983 -11.149 2.357 1.00 15.11 H new ATOM 0 HB1 ALA A 79 5.794 -10.958 4.495 1.00 20.03 H new ATOM 0 HB2 ALA A 79 5.035 -9.960 3.232 1.00 20.03 H new ATOM 0 HB3 ALA A 79 4.291 -11.503 3.712 1.00 20.03 H new ATOM 1275 N ILE A 80 5.441 -14.055 2.853 1.00 65.24 N ATOM 1276 CA ILE A 80 5.619 -15.485 3.202 1.00 51.42 C ATOM 1277 C ILE A 80 6.640 -16.146 2.241 1.00 22.25 C ATOM 1278 O ILE A 80 7.503 -16.930 2.672 1.00 62.34 O ATOM 1279 CB ILE A 80 4.235 -16.256 3.182 1.00 72.44 C ATOM 1280 CG1 ILE A 80 3.221 -15.611 4.199 1.00 63.22 C ATOM 1281 CG2 ILE A 80 4.424 -17.773 3.467 1.00 65.12 C ATOM 1282 CD1 ILE A 80 1.826 -16.212 4.168 1.00 52.04 C ATOM 0 H ILE A 80 4.493 -13.825 2.554 1.00 65.24 H new ATOM 0 HA ILE A 80 6.011 -15.545 4.217 1.00 51.42 H new ATOM 0 HB ILE A 80 3.817 -16.162 2.180 1.00 72.44 H new ATOM 0 HG12 ILE A 80 3.624 -15.712 5.207 1.00 63.22 H new ATOM 0 HG13 ILE A 80 3.147 -14.544 3.991 1.00 63.22 H new ATOM 0 HG21 ILE A 80 3.455 -18.271 3.446 1.00 65.12 H new ATOM 0 HG22 ILE A 80 5.072 -18.208 2.706 1.00 65.12 H new ATOM 0 HG23 ILE A 80 4.878 -17.905 4.449 1.00 65.12 H new ATOM 0 HD11 ILE A 80 1.196 -15.707 4.900 1.00 52.04 H new ATOM 0 HD12 ILE A 80 1.398 -16.087 3.173 1.00 52.04 H new ATOM 0 HD13 ILE A 80 1.882 -17.274 4.408 1.00 52.04 H new ATOM 1294 N ASN A 81 6.566 -15.773 0.945 1.00 51.33 N ATOM 1295 CA ASN A 81 7.499 -16.258 -0.103 1.00 25.23 C ATOM 1296 C ASN A 81 8.808 -15.433 -0.131 1.00 13.53 C ATOM 1297 O ASN A 81 9.677 -15.710 -0.964 1.00 13.21 O ATOM 1298 CB ASN A 81 6.819 -16.277 -1.507 1.00 45.32 C ATOM 1299 CG ASN A 81 5.868 -17.462 -1.690 1.00 24.24 C ATOM 1300 OD1 ASN A 81 6.290 -18.551 -2.076 1.00 62.53 O ATOM 1301 ND2 ASN A 81 4.585 -17.259 -1.449 1.00 74.34 N ATOM 0 H ASN A 81 5.859 -15.127 0.593 1.00 51.33 H new ATOM 0 HA ASN A 81 7.763 -17.284 0.154 1.00 25.23 H new ATOM 0 HB2 ASN A 81 6.267 -15.348 -1.651 1.00 45.32 H new ATOM 0 HB3 ASN A 81 7.589 -16.312 -2.278 1.00 45.32 H new ATOM 0 HD21 ASN A 81 3.915 -18.016 -1.582 1.00 74.34 H new ATOM 0 HD22 ASN A 81 4.264 -16.345 -1.130 1.00 74.34 H new ATOM 1308 N ARG A 82 8.931 -14.406 0.758 1.00 52.13 N ATOM 1309 CA ARG A 82 10.226 -13.738 1.094 1.00 44.44 C ATOM 1310 C ARG A 82 10.851 -12.959 -0.103 1.00 54.23 C ATOM 1311 O ARG A 82 12.080 -12.825 -0.188 1.00 75.40 O ATOM 1312 CB ARG A 82 11.264 -14.787 1.657 1.00 0.20 C ATOM 1313 CG ARG A 82 10.832 -15.593 2.914 1.00 70.13 C ATOM 1314 CD ARG A 82 11.888 -16.639 3.352 1.00 22.42 C ATOM 1315 NE ARG A 82 11.417 -17.467 4.476 1.00 43.45 N ATOM 1316 CZ ARG A 82 11.999 -18.606 4.899 1.00 54.13 C ATOM 1317 NH1 ARG A 82 13.101 -19.074 4.314 1.00 43.05 N ATOM 1318 NH2 ARG A 82 11.472 -19.277 5.918 1.00 5.53 N ATOM 0 H ARG A 82 8.135 -14.017 1.263 1.00 52.13 H new ATOM 0 HA ARG A 82 9.994 -13.000 1.862 1.00 44.44 H new ATOM 0 HB2 ARG A 82 11.496 -15.496 0.862 1.00 0.20 H new ATOM 0 HB3 ARG A 82 12.188 -14.258 1.893 1.00 0.20 H new ATOM 0 HG2 ARG A 82 10.649 -14.902 3.737 1.00 70.13 H new ATOM 0 HG3 ARG A 82 9.889 -16.100 2.708 1.00 70.13 H new ATOM 0 HD2 ARG A 82 12.133 -17.282 2.507 1.00 22.42 H new ATOM 0 HD3 ARG A 82 12.806 -16.127 3.640 1.00 22.42 H new ATOM 0 HE ARG A 82 10.584 -17.153 4.974 1.00 43.45 H new ATOM 0 HH11 ARG A 82 13.518 -18.568 3.532 1.00 43.05 H new ATOM 0 HH12 ARG A 82 13.528 -19.938 4.648 1.00 43.05 H new ATOM 0 HH21 ARG A 82 10.630 -18.929 6.377 1.00 5.53 H new ATOM 0 HH22 ARG A 82 11.910 -20.140 6.241 1.00 5.53 H new ATOM 1332 N THR A 83 10.020 -12.401 -0.994 1.00 31.33 N ATOM 1333 CA THR A 83 10.519 -11.668 -2.188 1.00 50.14 C ATOM 1334 C THR A 83 10.009 -10.201 -2.223 1.00 53.44 C ATOM 1335 O THR A 83 10.162 -9.512 -3.232 1.00 50.42 O ATOM 1336 CB THR A 83 10.150 -12.450 -3.503 1.00 14.31 C ATOM 1337 OG1 THR A 83 10.773 -11.864 -4.658 1.00 71.33 O ATOM 1338 CG2 THR A 83 8.643 -12.514 -3.728 1.00 2.52 C ATOM 0 H THR A 83 9.003 -12.437 -0.920 1.00 31.33 H new ATOM 0 HA THR A 83 11.606 -11.613 -2.121 1.00 50.14 H new ATOM 0 HB THR A 83 10.526 -13.464 -3.367 1.00 14.31 H new ATOM 0 HG1 THR A 83 10.804 -10.890 -4.554 1.00 71.33 H new ATOM 0 HG21 THR A 83 8.435 -13.063 -4.647 1.00 2.52 H new ATOM 0 HG22 THR A 83 8.171 -13.022 -2.887 1.00 2.52 H new ATOM 0 HG23 THR A 83 8.244 -11.503 -3.811 1.00 2.52 H new ATOM 1346 N LEU A 84 9.447 -9.722 -1.102 1.00 70.14 N ATOM 1347 CA LEU A 84 8.998 -8.310 -0.939 1.00 54.40 C ATOM 1348 C LEU A 84 10.221 -7.468 -0.498 1.00 21.52 C ATOM 1349 O LEU A 84 10.911 -7.861 0.446 1.00 4.31 O ATOM 1350 CB LEU A 84 7.826 -8.285 0.103 1.00 61.12 C ATOM 1351 CG LEU A 84 6.978 -6.966 0.290 1.00 12.51 C ATOM 1352 CD1 LEU A 84 5.624 -7.290 0.951 1.00 1.44 C ATOM 1353 CD2 LEU A 84 7.703 -5.877 1.113 1.00 54.23 C ATOM 0 H LEU A 84 9.286 -10.296 -0.275 1.00 70.14 H new ATOM 0 HA LEU A 84 8.618 -7.882 -1.867 1.00 54.40 H new ATOM 0 HB2 LEU A 84 7.134 -9.083 -0.165 1.00 61.12 H new ATOM 0 HB3 LEU A 84 8.248 -8.542 1.075 1.00 61.12 H new ATOM 0 HG LEU A 84 6.827 -6.561 -0.711 1.00 12.51 H new ATOM 0 HD11 LEU A 84 5.050 -6.372 1.074 1.00 1.44 H new ATOM 0 HD12 LEU A 84 5.068 -7.984 0.320 1.00 1.44 H new ATOM 0 HD13 LEU A 84 5.795 -7.744 1.927 1.00 1.44 H new ATOM 0 HD21 LEU A 84 7.062 -5.000 1.201 1.00 54.23 H new ATOM 0 HD22 LEU A 84 7.929 -6.262 2.107 1.00 54.23 H new ATOM 0 HD23 LEU A 84 8.630 -5.599 0.612 1.00 54.23 H new ATOM 1365 N ASN A 85 10.465 -6.308 -1.181 1.00 41.21 N ATOM 1366 CA ASN A 85 11.717 -5.489 -1.004 1.00 61.14 C ATOM 1367 C ASN A 85 11.949 -5.081 0.476 1.00 55.43 C ATOM 1368 O ASN A 85 13.097 -4.932 0.907 1.00 11.55 O ATOM 1369 CB ASN A 85 11.788 -4.205 -1.929 1.00 4.45 C ATOM 1370 CG ASN A 85 13.199 -3.570 -1.932 1.00 33.25 C ATOM 1371 OD1 ASN A 85 14.208 -4.276 -1.858 1.00 5.13 O ATOM 1372 ND2 ASN A 85 13.288 -2.258 -2.001 1.00 53.21 N ATOM 0 H ASN A 85 9.813 -5.915 -1.860 1.00 41.21 H new ATOM 0 HA ASN A 85 12.519 -6.156 -1.321 1.00 61.14 H new ATOM 0 HB2 ASN A 85 11.510 -4.476 -2.948 1.00 4.45 H new ATOM 0 HB3 ASN A 85 11.060 -3.470 -1.585 1.00 4.45 H new ATOM 0 HD21 ASN A 85 14.203 -1.808 -1.994 1.00 53.21 H new ATOM 0 HD22 ASN A 85 12.442 -1.692 -2.062 1.00 53.21 H new ATOM 1379 N HIS A 86 10.842 -4.857 1.222 1.00 72.23 N ATOM 1380 CA HIS A 86 10.839 -4.685 2.707 1.00 51.20 C ATOM 1381 C HIS A 86 11.389 -3.293 3.145 1.00 43.11 C ATOM 1382 O HIS A 86 11.423 -2.982 4.343 1.00 22.12 O ATOM 1383 CB HIS A 86 11.603 -5.872 3.386 1.00 43.32 C ATOM 1384 CG HIS A 86 11.499 -5.961 4.880 1.00 11.50 C ATOM 1385 ND1 HIS A 86 12.329 -5.268 5.736 1.00 2.12 N ATOM 1386 CD2 HIS A 86 10.653 -6.658 5.668 1.00 53.04 C ATOM 1387 CE1 HIS A 86 11.996 -5.533 6.981 1.00 4.33 C ATOM 1388 NE2 HIS A 86 10.987 -6.378 6.966 1.00 63.55 N ATOM 0 H HIS A 86 9.911 -4.789 0.811 1.00 72.23 H new ATOM 0 HA HIS A 86 9.805 -4.709 3.050 1.00 51.20 H new ATOM 0 HB2 HIS A 86 11.233 -6.805 2.961 1.00 43.32 H new ATOM 0 HB3 HIS A 86 12.657 -5.797 3.120 1.00 43.32 H new ATOM 0 HD2 HIS A 86 9.861 -7.314 5.337 1.00 53.04 H new ATOM 0 HE1 HIS A 86 12.469 -5.127 7.863 1.00 4.33 H new ATOM 0 HE2 HIS A 86 10.527 -6.763 7.791 1.00 63.55 H new ATOM 1397 N ASP A 87 11.756 -2.444 2.167 1.00 72.11 N ATOM 1398 CA ASP A 87 12.330 -1.104 2.433 1.00 45.22 C ATOM 1399 C ASP A 87 11.229 -0.109 2.920 1.00 5.33 C ATOM 1400 O ASP A 87 11.555 0.918 3.506 1.00 32.01 O ATOM 1401 CB ASP A 87 13.139 -0.572 1.183 1.00 21.42 C ATOM 1402 CG ASP A 87 13.865 0.764 1.448 1.00 3.04 C ATOM 1403 OD1 ASP A 87 13.301 1.840 1.162 1.00 20.20 O ATOM 1404 OD2 ASP A 87 15.006 0.741 1.955 1.00 2.21 O ATOM 0 H ASP A 87 11.665 -2.662 1.175 1.00 72.11 H new ATOM 0 HA ASP A 87 13.049 -1.190 3.248 1.00 45.22 H new ATOM 0 HB2 ASP A 87 13.872 -1.323 0.887 1.00 21.42 H new ATOM 0 HB3 ASP A 87 12.455 -0.445 0.344 1.00 21.42 H new ATOM 1409 N LEU A 88 9.925 -0.438 2.705 1.00 74.55 N ATOM 1410 CA LEU A 88 8.777 0.339 3.227 1.00 71.34 C ATOM 1411 C LEU A 88 7.821 -0.616 3.953 1.00 24.54 C ATOM 1412 O LEU A 88 6.596 -0.474 3.890 1.00 43.24 O ATOM 1413 CB LEU A 88 8.032 1.158 2.131 1.00 12.20 C ATOM 1414 CG LEU A 88 7.715 0.423 0.781 1.00 52.11 C ATOM 1415 CD1 LEU A 88 6.394 0.935 0.181 1.00 35.31 C ATOM 1416 CD2 LEU A 88 8.876 0.616 -0.223 1.00 70.01 C ATOM 0 H LEU A 88 9.645 -1.254 2.161 1.00 74.55 H new ATOM 0 HA LEU A 88 9.167 1.082 3.923 1.00 71.34 H new ATOM 0 HB2 LEU A 88 7.091 1.511 2.553 1.00 12.20 H new ATOM 0 HB3 LEU A 88 8.630 2.041 1.903 1.00 12.20 H new ATOM 0 HG LEU A 88 7.607 -0.642 0.987 1.00 52.11 H new ATOM 0 HD11 LEU A 88 6.193 0.413 -0.754 1.00 35.31 H new ATOM 0 HD12 LEU A 88 5.580 0.750 0.882 1.00 35.31 H new ATOM 0 HD13 LEU A 88 6.472 2.005 -0.011 1.00 35.31 H new ATOM 0 HD21 LEU A 88 8.641 0.100 -1.154 1.00 70.01 H new ATOM 0 HD22 LEU A 88 9.013 1.679 -0.421 1.00 70.01 H new ATOM 0 HD23 LEU A 88 9.793 0.205 0.198 1.00 70.01 H new ATOM 1428 N SER A 89 8.413 -1.572 4.681 1.00 62.12 N ATOM 1429 CA SER A 89 7.682 -2.583 5.458 1.00 43.10 C ATOM 1430 C SER A 89 6.788 -1.942 6.551 1.00 54.54 C ATOM 1431 O SER A 89 5.808 -2.547 6.992 1.00 32.21 O ATOM 1432 CB SER A 89 8.702 -3.547 6.090 1.00 13.45 C ATOM 1433 OG SER A 89 8.080 -4.579 6.837 1.00 3.44 O ATOM 0 H SER A 89 9.426 -1.667 4.748 1.00 62.12 H new ATOM 0 HA SER A 89 7.015 -3.126 4.788 1.00 43.10 H new ATOM 0 HB2 SER A 89 9.315 -3.990 5.304 1.00 13.45 H new ATOM 0 HB3 SER A 89 9.374 -2.986 6.740 1.00 13.45 H new ATOM 0 HG SER A 89 8.729 -5.291 7.015 1.00 3.44 H new ATOM 1439 N GLU A 90 7.129 -0.694 6.932 1.00 42.25 N ATOM 1440 CA GLU A 90 6.395 0.077 7.950 1.00 75.30 C ATOM 1441 C GLU A 90 5.006 0.496 7.425 1.00 61.44 C ATOM 1442 O GLU A 90 4.138 0.800 8.223 1.00 75.52 O ATOM 1443 CB GLU A 90 7.205 1.329 8.409 1.00 24.41 C ATOM 1444 CG GLU A 90 8.503 1.047 9.216 1.00 53.24 C ATOM 1445 CD GLU A 90 9.277 2.337 9.543 1.00 22.41 C ATOM 1446 OE1 GLU A 90 9.193 2.829 10.688 1.00 53.51 O ATOM 1447 OE2 GLU A 90 9.949 2.879 8.643 1.00 1.31 O ATOM 0 H GLU A 90 7.925 -0.192 6.539 1.00 42.25 H new ATOM 0 HA GLU A 90 6.257 -0.570 8.816 1.00 75.30 H new ATOM 0 HB2 GLU A 90 7.470 1.909 7.525 1.00 24.41 H new ATOM 0 HB3 GLU A 90 6.552 1.955 9.017 1.00 24.41 H new ATOM 0 HG2 GLU A 90 8.248 0.534 10.143 1.00 53.24 H new ATOM 0 HG3 GLU A 90 9.145 0.375 8.646 1.00 53.24 H new ATOM 1454 N LEU A 91 4.814 0.513 6.093 1.00 21.44 N ATOM 1455 CA LEU A 91 3.494 0.766 5.466 1.00 54.23 C ATOM 1456 C LEU A 91 2.557 -0.437 5.693 1.00 42.22 C ATOM 1457 O LEU A 91 1.367 -0.284 6.025 1.00 62.33 O ATOM 1458 CB LEU A 91 3.659 1.044 3.945 1.00 61.14 C ATOM 1459 CG LEU A 91 2.345 1.326 3.138 1.00 65.24 C ATOM 1460 CD1 LEU A 91 1.615 2.590 3.650 1.00 3.44 C ATOM 1461 CD2 LEU A 91 2.636 1.418 1.618 1.00 73.13 C ATOM 0 H LEU A 91 5.563 0.353 5.420 1.00 21.44 H new ATOM 0 HA LEU A 91 3.051 1.647 5.931 1.00 54.23 H new ATOM 0 HB2 LEU A 91 4.323 1.900 3.825 1.00 61.14 H new ATOM 0 HB3 LEU A 91 4.159 0.187 3.494 1.00 61.14 H new ATOM 0 HG LEU A 91 1.674 0.482 3.301 1.00 65.24 H new ATOM 0 HD11 LEU A 91 0.710 2.750 3.064 1.00 3.44 H new ATOM 0 HD12 LEU A 91 1.350 2.457 4.699 1.00 3.44 H new ATOM 0 HD13 LEU A 91 2.270 3.455 3.548 1.00 3.44 H new ATOM 0 HD21 LEU A 91 1.708 1.614 1.081 1.00 73.13 H new ATOM 0 HD22 LEU A 91 3.341 2.228 1.431 1.00 73.13 H new ATOM 0 HD23 LEU A 91 3.064 0.477 1.272 1.00 73.13 H new ATOM 1473 N TYR A 92 3.136 -1.633 5.538 1.00 3.50 N ATOM 1474 CA TYR A 92 2.446 -2.908 5.758 1.00 13.45 C ATOM 1475 C TYR A 92 2.107 -3.054 7.264 1.00 64.10 C ATOM 1476 O TYR A 92 1.042 -3.565 7.636 1.00 70.42 O ATOM 1477 CB TYR A 92 3.354 -4.048 5.221 1.00 44.44 C ATOM 1478 CG TYR A 92 2.830 -5.489 5.351 1.00 4.21 C ATOM 1479 CD1 TYR A 92 1.472 -5.815 5.197 1.00 12.44 C ATOM 1480 CD2 TYR A 92 3.719 -6.534 5.596 1.00 11.41 C ATOM 1481 CE1 TYR A 92 1.040 -7.118 5.294 1.00 42.11 C ATOM 1482 CE2 TYR A 92 3.288 -7.835 5.694 1.00 55.43 C ATOM 1483 CZ TYR A 92 1.951 -8.121 5.544 1.00 12.04 C ATOM 1484 OH TYR A 92 1.516 -9.414 5.638 1.00 22.11 O ATOM 0 H TYR A 92 4.109 -1.743 5.253 1.00 3.50 H new ATOM 0 HA TYR A 92 1.499 -2.955 5.220 1.00 13.45 H new ATOM 0 HB2 TYR A 92 3.550 -3.854 4.166 1.00 44.44 H new ATOM 0 HB3 TYR A 92 4.311 -3.989 5.739 1.00 44.44 H new ATOM 0 HD1 TYR A 92 0.756 -5.031 4.999 1.00 12.44 H new ATOM 0 HD2 TYR A 92 4.771 -6.316 5.711 1.00 11.41 H new ATOM 0 HE1 TYR A 92 -0.007 -7.353 5.175 1.00 42.11 H new ATOM 0 HE2 TYR A 92 3.995 -8.628 5.888 1.00 55.43 H new ATOM 0 HH TYR A 92 0.735 -9.539 5.059 1.00 22.11 H new ATOM 1494 N LYS A 93 3.026 -2.546 8.106 1.00 13.43 N ATOM 1495 CA LYS A 93 2.856 -2.450 9.572 1.00 63.00 C ATOM 1496 C LYS A 93 1.826 -1.357 9.939 1.00 31.13 C ATOM 1497 O LYS A 93 1.106 -1.475 10.937 1.00 2.11 O ATOM 1498 CB LYS A 93 4.235 -2.144 10.219 1.00 61.32 C ATOM 1499 CG LYS A 93 4.225 -1.961 11.756 1.00 51.43 C ATOM 1500 CD LYS A 93 5.625 -1.598 12.311 1.00 2.14 C ATOM 1501 CE LYS A 93 5.621 -1.362 13.829 1.00 1.34 C ATOM 1502 NZ LYS A 93 6.995 -1.132 14.355 1.00 4.03 N ATOM 0 H LYS A 93 3.923 -2.184 7.784 1.00 13.43 H new ATOM 0 HA LYS A 93 2.476 -3.398 9.953 1.00 63.00 H new ATOM 0 HB2 LYS A 93 4.920 -2.955 9.972 1.00 61.32 H new ATOM 0 HB3 LYS A 93 4.636 -1.238 9.765 1.00 61.32 H new ATOM 0 HG2 LYS A 93 3.516 -1.177 12.022 1.00 51.43 H new ATOM 0 HG3 LYS A 93 3.876 -2.880 12.227 1.00 51.43 H new ATOM 0 HD2 LYS A 93 6.324 -2.400 12.075 1.00 2.14 H new ATOM 0 HD3 LYS A 93 5.988 -0.701 11.809 1.00 2.14 H new ATOM 0 HE2 LYS A 93 4.994 -0.502 14.062 1.00 1.34 H new ATOM 0 HE3 LYS A 93 5.179 -2.223 14.330 1.00 1.34 H new ATOM 0 HZ1 LYS A 93 6.952 -0.977 15.382 1.00 4.03 H new ATOM 0 HZ2 LYS A 93 7.587 -1.963 14.155 1.00 4.03 H new ATOM 0 HZ3 LYS A 93 7.407 -0.295 13.895 1.00 4.03 H new ATOM 1516 N PHE A 94 1.759 -0.309 9.107 1.00 64.04 N ATOM 1517 CA PHE A 94 0.880 0.852 9.328 1.00 34.45 C ATOM 1518 C PHE A 94 -0.597 0.475 9.166 1.00 32.41 C ATOM 1519 O PHE A 94 -1.437 0.899 9.966 1.00 32.11 O ATOM 1520 CB PHE A 94 1.252 1.993 8.356 1.00 35.44 C ATOM 1521 CG PHE A 94 0.368 3.230 8.456 1.00 62.40 C ATOM 1522 CD1 PHE A 94 -0.628 3.482 7.510 1.00 72.44 C ATOM 1523 CD2 PHE A 94 0.536 4.135 9.498 1.00 73.01 C ATOM 1524 CE1 PHE A 94 -1.423 4.599 7.605 1.00 44.01 C ATOM 1525 CE2 PHE A 94 -0.259 5.250 9.591 1.00 21.42 C ATOM 1526 CZ PHE A 94 -1.237 5.482 8.644 1.00 52.55 C ATOM 0 H PHE A 94 2.316 -0.241 8.255 1.00 64.04 H new ATOM 0 HA PHE A 94 1.026 1.194 10.353 1.00 34.45 H new ATOM 0 HB2 PHE A 94 2.286 2.286 8.540 1.00 35.44 H new ATOM 0 HB3 PHE A 94 1.206 1.612 7.336 1.00 35.44 H new ATOM 0 HD1 PHE A 94 -0.775 2.790 6.694 1.00 72.44 H new ATOM 0 HD2 PHE A 94 1.299 3.959 10.241 1.00 73.01 H new ATOM 0 HE1 PHE A 94 -2.190 4.783 6.868 1.00 44.01 H new ATOM 0 HE2 PHE A 94 -0.120 5.946 10.405 1.00 21.42 H new ATOM 0 HZ PHE A 94 -1.859 6.361 8.719 1.00 52.55 H new ATOM 1536 N ILE A 95 -0.924 -0.326 8.131 1.00 43.51 N ATOM 1537 CA ILE A 95 -2.326 -0.750 7.912 1.00 73.10 C ATOM 1538 C ILE A 95 -2.759 -1.798 8.977 1.00 75.20 C ATOM 1539 O ILE A 95 -3.924 -2.149 9.058 1.00 34.44 O ATOM 1540 CB ILE A 95 -2.599 -1.259 6.435 1.00 15.21 C ATOM 1541 CG1 ILE A 95 -2.120 -2.740 6.210 1.00 4.30 C ATOM 1542 CG2 ILE A 95 -1.993 -0.271 5.394 1.00 22.03 C ATOM 1543 CD1 ILE A 95 -2.134 -3.217 4.774 1.00 42.41 C ATOM 0 H ILE A 95 -0.257 -0.686 7.448 1.00 43.51 H new ATOM 0 HA ILE A 95 -2.947 0.137 8.036 1.00 73.10 H new ATOM 0 HB ILE A 95 -3.679 -1.276 6.285 1.00 15.21 H new ATOM 0 HG12 ILE A 95 -1.106 -2.839 6.598 1.00 4.30 H new ATOM 0 HG13 ILE A 95 -2.753 -3.402 6.801 1.00 4.30 H new ATOM 0 HG21 ILE A 95 -2.191 -0.637 4.387 1.00 22.03 H new ATOM 0 HG22 ILE A 95 -2.447 0.712 5.518 1.00 22.03 H new ATOM 0 HG23 ILE A 95 -0.917 -0.195 5.548 1.00 22.03 H new ATOM 0 HD11 ILE A 95 -1.786 -4.249 4.730 1.00 42.41 H new ATOM 0 HD12 ILE A 95 -3.149 -3.159 4.381 1.00 42.41 H new ATOM 0 HD13 ILE A 95 -1.477 -2.587 4.175 1.00 42.41 H new ATOM 1555 N THR A 96 -1.797 -2.241 9.832 1.00 51.23 N ATOM 1556 CA THR A 96 -2.051 -3.159 10.956 1.00 63.10 C ATOM 1557 C THR A 96 -1.764 -2.452 12.293 1.00 12.15 C ATOM 1558 O THR A 96 -1.574 -3.106 13.327 1.00 2.23 O ATOM 1559 CB THR A 96 -1.186 -4.461 10.841 1.00 45.53 C ATOM 1560 OG1 THR A 96 0.153 -4.131 10.462 1.00 74.22 O ATOM 1561 CG2 THR A 96 -1.757 -5.460 9.834 1.00 52.34 C ATOM 0 H THR A 96 -0.819 -1.963 9.752 1.00 51.23 H new ATOM 0 HA THR A 96 -3.101 -3.449 10.919 1.00 63.10 H new ATOM 0 HB THR A 96 -1.199 -4.933 11.824 1.00 45.53 H new ATOM 0 HG1 THR A 96 0.377 -3.238 10.797 1.00 74.22 H new ATOM 0 HG21 THR A 96 -1.118 -6.342 9.795 1.00 52.34 H new ATOM 0 HG22 THR A 96 -2.761 -5.752 10.141 1.00 52.34 H new ATOM 0 HG23 THR A 96 -1.799 -4.998 8.847 1.00 52.34 H new