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= -0.0126 X(o=-0.013,f=0.37) USER MOD Set 1.2: A 89 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 76 THR OG1 : rot -170:sc= 0.729 USER MOD Set 2.2: A 92 TYR OH : rot 31:sc= 0.94 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -172:sc= -0.455 (180deg=-0.572) USER MOD Single : A 37 THR OG1 : rot 78:sc= 0.117 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0797 USER MOD Single : A 45 GLN : amide:sc= 0.258 X(o=0.26,f=0) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0206 X(o=-0.021,f=-0.4) USER MOD Single : A 61 SER OG : rot -47:sc= 0.292 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00249) USER MOD Single : A 70 ASN : amide:sc=-0.00487 X(o=-0.0049,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 83 THR OG1 : rot -38:sc= 0.00211 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 93 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00905) USER MOD Single : A 96 THR OG1 : rot 13:sc= 0.0803 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -6.317 9.461 5.465 1.00 13.24 N ATOM 437 CA GLU A 28 -6.166 9.328 4.013 1.00 13.05 C ATOM 438 C GLU A 28 -4.917 10.097 3.558 1.00 21.25 C ATOM 439 O GLU A 28 -4.168 9.617 2.710 1.00 34.43 O ATOM 440 CB GLU A 28 -7.417 9.835 3.258 1.00 0.43 C ATOM 441 CG GLU A 28 -7.305 9.703 1.731 1.00 71.13 C ATOM 442 CD GLU A 28 -8.555 10.171 0.983 1.00 52.22 C ATOM 443 OE1 GLU A 28 -8.623 11.351 0.599 1.00 33.21 O ATOM 444 OE2 GLU A 28 -9.467 9.359 0.756 1.00 72.45 O ATOM 0 HA GLU A 28 -6.053 8.270 3.776 1.00 13.05 H new ATOM 0 HB2 GLU A 28 -8.289 9.278 3.600 1.00 0.43 H new ATOM 0 HB3 GLU A 28 -7.587 10.881 3.513 1.00 0.43 H new ATOM 0 HG2 GLU A 28 -6.448 10.281 1.387 1.00 71.13 H new ATOM 0 HG3 GLU A 28 -7.109 8.661 1.478 1.00 71.13 H new ATOM 451 N ASN A 29 -4.694 11.279 4.176 1.00 65.20 N ATOM 452 CA ASN A 29 -3.522 12.127 3.892 1.00 61.31 C ATOM 453 C ASN A 29 -2.220 11.424 4.310 1.00 10.41 C ATOM 454 O ASN A 29 -1.238 11.483 3.580 1.00 31.33 O ATOM 455 CB ASN A 29 -3.646 13.526 4.569 1.00 2.55 C ATOM 456 CG ASN A 29 -4.633 14.469 3.867 1.00 0.34 C ATOM 457 OD1 ASN A 29 -5.559 14.041 3.181 1.00 1.31 O ATOM 458 ND2 ASN A 29 -4.447 15.760 4.043 1.00 14.13 N ATOM 0 H ASN A 29 -5.320 11.667 4.882 1.00 65.20 H new ATOM 0 HA ASN A 29 -3.489 12.289 2.815 1.00 61.31 H new ATOM 0 HB2 ASN A 29 -3.960 13.392 5.604 1.00 2.55 H new ATOM 0 HB3 ASN A 29 -2.663 13.996 4.593 1.00 2.55 H new ATOM 0 HD21 ASN A 29 -5.079 16.431 3.605 1.00 14.13 H new ATOM 0 HD22 ASN A 29 -3.671 16.090 4.617 1.00 14.13 H new ATOM 465 N GLU A 30 -2.262 10.698 5.443 1.00 2.23 N ATOM 466 CA GLU A 30 -1.070 10.026 6.030 1.00 54.15 C ATOM 467 C GLU A 30 -0.665 8.798 5.187 1.00 44.31 C ATOM 468 O GLU A 30 0.523 8.596 4.901 1.00 4.45 O ATOM 469 CB GLU A 30 -1.341 9.610 7.511 1.00 54.24 C ATOM 470 CG GLU A 30 -1.308 10.766 8.543 1.00 71.44 C ATOM 471 CD GLU A 30 0.051 11.484 8.611 1.00 71.15 C ATOM 472 OE1 GLU A 30 0.972 10.974 9.282 1.00 73.44 O ATOM 473 OE2 GLU A 30 0.217 12.549 7.974 1.00 70.41 O ATOM 0 H GLU A 30 -3.117 10.556 5.981 1.00 2.23 H new ATOM 0 HA GLU A 30 -0.243 10.736 6.021 1.00 54.15 H new ATOM 0 HB2 GLU A 30 -2.317 9.128 7.562 1.00 54.24 H new ATOM 0 HB3 GLU A 30 -0.601 8.864 7.802 1.00 54.24 H new ATOM 0 HG2 GLU A 30 -2.082 11.491 8.290 1.00 71.44 H new ATOM 0 HG3 GLU A 30 -1.552 10.370 9.529 1.00 71.44 H new ATOM 480 N LEU A 31 -1.681 8.006 4.782 1.00 44.43 N ATOM 481 CA LEU A 31 -1.466 6.790 3.922 1.00 1.31 C ATOM 482 C LEU A 31 -0.917 7.227 2.555 1.00 52.42 C ATOM 483 O LEU A 31 0.123 6.731 2.104 1.00 0.44 O ATOM 484 CB LEU A 31 -2.779 5.921 3.707 1.00 32.14 C ATOM 485 CG LEU A 31 -2.721 4.753 2.594 1.00 21.14 C ATOM 486 CD1 LEU A 31 -2.233 3.371 3.118 1.00 35.53 C ATOM 487 CD2 LEU A 31 -4.072 4.570 1.832 1.00 31.04 C ATOM 0 H LEU A 31 -2.657 8.173 5.027 1.00 44.43 H new ATOM 0 HA LEU A 31 -0.754 6.155 4.450 1.00 1.31 H new ATOM 0 HB2 LEU A 31 -3.041 5.464 4.661 1.00 32.14 H new ATOM 0 HB3 LEU A 31 -3.592 6.598 3.443 1.00 32.14 H new ATOM 0 HG LEU A 31 -1.963 5.116 1.900 1.00 21.14 H new ATOM 0 HD11 LEU A 31 -2.228 2.652 2.299 1.00 35.53 H new ATOM 0 HD12 LEU A 31 -1.225 3.470 3.520 1.00 35.53 H new ATOM 0 HD13 LEU A 31 -2.904 3.022 3.903 1.00 35.53 H new ATOM 0 HD21 LEU A 31 -3.970 3.771 1.098 1.00 31.04 H new ATOM 0 HD22 LEU A 31 -4.858 4.312 2.542 1.00 31.04 H new ATOM 0 HD23 LEU A 31 -4.332 5.499 1.324 1.00 31.04 H new ATOM 499 N ARG A 32 -1.615 8.205 1.944 1.00 2.24 N ATOM 500 CA ARG A 32 -1.328 8.679 0.584 1.00 43.24 C ATOM 501 C ARG A 32 0.033 9.419 0.533 1.00 72.34 C ATOM 502 O ARG A 32 0.714 9.400 -0.499 1.00 14.44 O ATOM 503 CB ARG A 32 -2.497 9.575 0.063 1.00 1.25 C ATOM 504 CG ARG A 32 -2.492 9.810 -1.463 1.00 71.14 C ATOM 505 CD ARG A 32 -3.742 10.522 -1.999 1.00 61.21 C ATOM 506 NE ARG A 32 -3.665 10.719 -3.462 1.00 1.23 N ATOM 507 CZ ARG A 32 -4.459 10.134 -4.374 1.00 33.11 C ATOM 508 NH1 ARG A 32 -5.426 9.298 -4.014 1.00 12.43 N ATOM 509 NH2 ARG A 32 -4.278 10.382 -5.658 1.00 3.54 N ATOM 0 H ARG A 32 -2.397 8.688 2.386 1.00 2.24 H new ATOM 0 HA ARG A 32 -1.250 7.817 -0.079 1.00 43.24 H new ATOM 0 HB2 ARG A 32 -3.444 9.114 0.344 1.00 1.25 H new ATOM 0 HB3 ARG A 32 -2.450 10.540 0.567 1.00 1.25 H new ATOM 0 HG2 ARG A 32 -1.613 10.399 -1.725 1.00 71.14 H new ATOM 0 HG3 ARG A 32 -2.393 8.848 -1.966 1.00 71.14 H new ATOM 0 HD2 ARG A 32 -4.629 9.937 -1.755 1.00 61.21 H new ATOM 0 HD3 ARG A 32 -3.852 11.488 -1.506 1.00 61.21 H new ATOM 0 HE ARG A 32 -2.947 11.354 -3.809 1.00 1.23 H new ATOM 0 HH11 ARG A 32 -5.578 9.089 -3.027 1.00 12.43 H new ATOM 0 HH12 ARG A 32 -6.017 8.865 -4.724 1.00 12.43 H new ATOM 0 HH21 ARG A 32 -3.537 11.016 -5.955 1.00 3.54 H new ATOM 0 HH22 ARG A 32 -4.879 9.939 -6.353 1.00 3.54 H new ATOM 523 N SER A 33 0.429 10.038 1.668 1.00 34.24 N ATOM 524 CA SER A 33 1.699 10.788 1.788 1.00 63.03 C ATOM 525 C SER A 33 2.920 9.837 1.751 1.00 73.13 C ATOM 526 O SER A 33 3.898 10.102 1.034 1.00 53.15 O ATOM 527 CB SER A 33 1.712 11.621 3.091 1.00 0.10 C ATOM 528 OG SER A 33 2.816 12.503 3.160 1.00 11.20 O ATOM 0 H SER A 33 -0.123 10.031 2.526 1.00 34.24 H new ATOM 0 HA SER A 33 1.770 11.462 0.934 1.00 63.03 H new ATOM 0 HB2 SER A 33 0.788 12.195 3.161 1.00 0.10 H new ATOM 0 HB3 SER A 33 1.735 10.948 3.948 1.00 0.10 H new ATOM 0 HG SER A 33 2.780 13.008 3.999 1.00 11.20 H new ATOM 534 N MET A 34 2.854 8.722 2.514 1.00 24.31 N ATOM 535 CA MET A 34 3.953 7.717 2.548 1.00 51.44 C ATOM 536 C MET A 34 3.963 6.896 1.252 1.00 15.03 C ATOM 537 O MET A 34 5.026 6.447 0.793 1.00 41.13 O ATOM 538 CB MET A 34 3.836 6.744 3.761 1.00 73.12 C ATOM 539 CG MET A 34 3.990 7.363 5.164 1.00 15.23 C ATOM 540 SD MET A 34 4.036 6.093 6.448 1.00 31.14 S ATOM 541 CE MET A 34 2.451 5.283 6.228 1.00 64.22 C ATOM 0 H MET A 34 2.060 8.492 3.112 1.00 24.31 H new ATOM 0 HA MET A 34 4.883 8.276 2.651 1.00 51.44 H new ATOM 0 HB2 MET A 34 2.864 6.253 3.711 1.00 73.12 H new ATOM 0 HB3 MET A 34 4.592 5.967 3.647 1.00 73.12 H new ATOM 0 HG2 MET A 34 4.905 7.955 5.203 1.00 15.23 H new ATOM 0 HG3 MET A 34 3.161 8.045 5.355 1.00 15.23 H new ATOM 0 HE1 MET A 34 2.287 4.576 7.042 1.00 64.22 H new ATOM 0 HE2 MET A 34 1.657 6.030 6.231 1.00 64.22 H new ATOM 0 HE3 MET A 34 2.444 4.750 5.277 1.00 64.22 H new ATOM 551 N LEU A 35 2.767 6.715 0.666 1.00 55.42 N ATOM 552 CA LEU A 35 2.605 5.945 -0.595 1.00 64.12 C ATOM 553 C LEU A 35 3.283 6.741 -1.738 1.00 12.34 C ATOM 554 O LEU A 35 3.953 6.149 -2.585 1.00 71.13 O ATOM 555 CB LEU A 35 1.081 5.647 -0.896 1.00 52.14 C ATOM 556 CG LEU A 35 0.707 4.452 -1.859 1.00 1.13 C ATOM 557 CD1 LEU A 35 -0.799 4.108 -1.753 1.00 13.31 C ATOM 558 CD2 LEU A 35 1.084 4.742 -3.330 1.00 61.41 C ATOM 0 H LEU A 35 1.894 7.088 1.040 1.00 55.42 H new ATOM 0 HA LEU A 35 3.086 4.971 -0.503 1.00 64.12 H new ATOM 0 HB2 LEU A 35 0.587 5.467 0.059 1.00 52.14 H new ATOM 0 HB3 LEU A 35 0.645 6.554 -1.314 1.00 52.14 H new ATOM 0 HG LEU A 35 1.293 3.592 -1.533 1.00 1.13 H new ATOM 0 HD11 LEU A 35 -1.032 3.282 -2.425 1.00 13.31 H new ATOM 0 HD12 LEU A 35 -1.035 3.819 -0.729 1.00 13.31 H new ATOM 0 HD13 LEU A 35 -1.392 4.980 -2.030 1.00 13.31 H new ATOM 0 HD21 LEU A 35 0.807 3.890 -3.951 1.00 61.41 H new ATOM 0 HD22 LEU A 35 0.553 5.630 -3.673 1.00 61.41 H new ATOM 0 HD23 LEU A 35 2.158 4.910 -3.404 1.00 61.41 H new ATOM 570 N ALA A 36 3.128 8.093 -1.706 1.00 72.43 N ATOM 571 CA ALA A 36 3.799 9.023 -2.642 1.00 0.42 C ATOM 572 C ALA A 36 5.319 8.824 -2.612 1.00 55.43 C ATOM 573 O ALA A 36 5.959 8.693 -3.660 1.00 55.31 O ATOM 574 CB ALA A 36 3.467 10.488 -2.294 1.00 43.34 C ATOM 0 H ALA A 36 2.531 8.565 -1.026 1.00 72.43 H new ATOM 0 HA ALA A 36 3.430 8.804 -3.644 1.00 0.42 H new ATOM 0 HB1 ALA A 36 3.972 11.152 -2.996 1.00 43.34 H new ATOM 0 HB2 ALA A 36 2.390 10.642 -2.359 1.00 43.34 H new ATOM 0 HB3 ALA A 36 3.804 10.707 -1.281 1.00 43.34 H new ATOM 580 N THR A 37 5.867 8.794 -1.380 1.00 15.40 N ATOM 581 CA THR A 37 7.299 8.598 -1.124 1.00 23.20 C ATOM 582 C THR A 37 7.787 7.272 -1.740 1.00 62.13 C ATOM 583 O THR A 37 8.824 7.246 -2.402 1.00 53.32 O ATOM 584 CB THR A 37 7.576 8.613 0.410 1.00 2.41 C ATOM 585 OG1 THR A 37 7.038 9.816 0.975 1.00 33.11 O ATOM 586 CG2 THR A 37 9.079 8.519 0.746 1.00 31.11 C ATOM 0 H THR A 37 5.317 8.907 -0.529 1.00 15.40 H new ATOM 0 HA THR A 37 7.848 9.416 -1.591 1.00 23.20 H new ATOM 0 HB THR A 37 7.094 7.733 0.836 1.00 2.41 H new ATOM 0 HG1 THR A 37 6.068 9.722 1.082 1.00 33.11 H new ATOM 0 HG21 THR A 37 9.212 8.534 1.828 1.00 31.11 H new ATOM 0 HG22 THR A 37 9.484 7.591 0.343 1.00 31.11 H new ATOM 0 HG23 THR A 37 9.604 9.366 0.304 1.00 31.11 H new ATOM 594 N ALA A 38 6.988 6.199 -1.547 1.00 22.32 N ATOM 595 CA ALA A 38 7.293 4.858 -2.075 1.00 1.42 C ATOM 596 C ALA A 38 7.213 4.823 -3.622 1.00 70.24 C ATOM 597 O ALA A 38 7.914 4.035 -4.249 1.00 45.24 O ATOM 598 CB ALA A 38 6.381 3.802 -1.420 1.00 11.31 C ATOM 0 H ALA A 38 6.115 6.242 -1.021 1.00 22.32 H new ATOM 0 HA ALA A 38 8.323 4.613 -1.815 1.00 1.42 H new ATOM 0 HB1 ALA A 38 6.619 2.817 -1.821 1.00 11.31 H new ATOM 0 HB2 ALA A 38 6.539 3.803 -0.342 1.00 11.31 H new ATOM 0 HB3 ALA A 38 5.339 4.039 -1.634 1.00 11.31 H new ATOM 604 N LEU A 39 6.398 5.717 -4.235 1.00 31.21 N ATOM 605 CA LEU A 39 6.345 5.846 -5.716 1.00 71.45 C ATOM 606 C LEU A 39 7.645 6.500 -6.253 1.00 52.53 C ATOM 607 O LEU A 39 8.022 6.280 -7.410 1.00 13.02 O ATOM 608 CB LEU A 39 5.106 6.674 -6.202 1.00 25.44 C ATOM 609 CG LEU A 39 3.660 6.176 -5.809 1.00 23.24 C ATOM 610 CD1 LEU A 39 2.597 7.256 -6.107 1.00 71.02 C ATOM 611 CD2 LEU A 39 3.278 4.829 -6.484 1.00 55.15 C ATOM 0 H LEU A 39 5.775 6.352 -3.736 1.00 31.21 H new ATOM 0 HA LEU A 39 6.248 4.836 -6.113 1.00 71.45 H new ATOM 0 HB2 LEU A 39 5.219 7.690 -5.825 1.00 25.44 H new ATOM 0 HB3 LEU A 39 5.152 6.730 -7.290 1.00 25.44 H new ATOM 0 HG LEU A 39 3.682 5.994 -4.734 1.00 23.24 H new ATOM 0 HD11 LEU A 39 1.612 6.884 -5.826 1.00 71.02 H new ATOM 0 HD12 LEU A 39 2.822 8.156 -5.534 1.00 71.02 H new ATOM 0 HD13 LEU A 39 2.606 7.491 -7.171 1.00 71.02 H new ATOM 0 HD21 LEU A 39 2.274 4.539 -6.175 1.00 55.15 H new ATOM 0 HD22 LEU A 39 3.305 4.944 -7.568 1.00 55.15 H new ATOM 0 HD23 LEU A 39 3.987 4.057 -6.183 1.00 55.15 H new ATOM 623 N GLU A 40 8.306 7.327 -5.419 1.00 41.31 N ATOM 624 CA GLU A 40 9.611 7.937 -5.758 1.00 4.02 C ATOM 625 C GLU A 40 10.772 7.000 -5.389 1.00 50.52 C ATOM 626 O GLU A 40 11.870 7.122 -5.936 1.00 54.40 O ATOM 627 CB GLU A 40 9.780 9.311 -5.056 1.00 45.13 C ATOM 628 CG GLU A 40 8.762 10.377 -5.502 1.00 33.33 C ATOM 629 CD GLU A 40 8.716 10.597 -7.030 1.00 60.13 C ATOM 630 OE1 GLU A 40 7.644 10.399 -7.641 1.00 11.52 O ATOM 631 OE2 GLU A 40 9.755 10.951 -7.627 1.00 74.01 O ATOM 0 H GLU A 40 7.955 7.591 -4.498 1.00 41.31 H new ATOM 0 HA GLU A 40 9.632 8.097 -6.836 1.00 4.02 H new ATOM 0 HB2 GLU A 40 9.692 9.169 -3.979 1.00 45.13 H new ATOM 0 HB3 GLU A 40 10.786 9.683 -5.248 1.00 45.13 H new ATOM 0 HG2 GLU A 40 7.770 10.085 -5.157 1.00 33.33 H new ATOM 0 HG3 GLU A 40 9.004 11.322 -5.016 1.00 33.33 H new ATOM 638 N LYS A 41 10.527 6.088 -4.428 1.00 1.25 N ATOM 639 CA LYS A 41 11.495 5.035 -4.057 1.00 4.43 C ATOM 640 C LYS A 41 11.479 3.895 -5.095 1.00 52.22 C ATOM 641 O LYS A 41 10.445 3.644 -5.719 1.00 73.41 O ATOM 642 CB LYS A 41 11.179 4.475 -2.643 1.00 14.03 C ATOM 643 CG LYS A 41 11.333 5.493 -1.490 1.00 43.33 C ATOM 644 CD LYS A 41 12.798 6.076 -1.396 1.00 24.02 C ATOM 645 CE LYS A 41 13.090 7.109 -0.253 1.00 0.32 C ATOM 646 NZ LYS A 41 14.492 7.591 -0.320 1.00 1.55 N ATOM 0 H LYS A 41 9.661 6.059 -3.891 1.00 1.25 H new ATOM 0 HA LYS A 41 12.490 5.479 -4.041 1.00 4.43 H new ATOM 0 HB2 LYS A 41 10.157 4.095 -2.639 1.00 14.03 H new ATOM 0 HB3 LYS A 41 11.835 3.627 -2.449 1.00 14.03 H new ATOM 0 HG2 LYS A 41 10.627 6.311 -1.634 1.00 43.33 H new ATOM 0 HG3 LYS A 41 11.075 5.012 -0.547 1.00 43.33 H new ATOM 0 HD2 LYS A 41 13.487 5.239 -1.278 1.00 24.02 H new ATOM 0 HD3 LYS A 41 13.033 6.551 -2.348 1.00 24.02 H new ATOM 0 HE2 LYS A 41 12.406 7.954 -0.338 1.00 0.32 H new ATOM 0 HE3 LYS A 41 12.906 6.646 0.717 1.00 0.32 H new ATOM 0 HZ1 LYS A 41 14.661 8.273 0.446 1.00 1.55 H new ATOM 0 HZ2 LYS A 41 15.141 6.785 -0.216 1.00 1.55 H new ATOM 0 HZ3 LYS A 41 14.657 8.052 -1.237 1.00 1.55 H new ATOM 660 N ASP A 42 12.630 3.219 -5.276 1.00 34.43 N ATOM 661 CA ASP A 42 12.756 2.066 -6.191 1.00 22.40 C ATOM 662 C ASP A 42 11.944 0.878 -5.634 1.00 63.53 C ATOM 663 O ASP A 42 12.356 0.257 -4.657 1.00 63.42 O ATOM 664 CB ASP A 42 14.253 1.665 -6.359 1.00 71.44 C ATOM 665 CG ASP A 42 15.093 2.708 -7.125 1.00 11.50 C ATOM 666 OD1 ASP A 42 15.659 3.630 -6.489 1.00 62.43 O ATOM 667 OD2 ASP A 42 15.189 2.621 -8.372 1.00 63.44 O ATOM 0 H ASP A 42 13.497 3.455 -4.794 1.00 34.43 H new ATOM 0 HA ASP A 42 12.365 2.343 -7.170 1.00 22.40 H new ATOM 0 HB2 ASP A 42 14.692 1.512 -5.373 1.00 71.44 H new ATOM 0 HB3 ASP A 42 14.308 0.711 -6.884 1.00 71.44 H new ATOM 672 N ILE A 43 10.765 0.595 -6.228 1.00 10.22 N ATOM 673 CA ILE A 43 9.858 -0.466 -5.729 1.00 20.35 C ATOM 674 C ILE A 43 9.714 -1.620 -6.728 1.00 11.13 C ATOM 675 O ILE A 43 9.899 -1.451 -7.943 1.00 11.02 O ATOM 676 CB ILE A 43 8.439 0.090 -5.307 1.00 53.31 C ATOM 677 CG1 ILE A 43 7.678 0.794 -6.475 1.00 32.40 C ATOM 678 CG2 ILE A 43 8.572 1.034 -4.098 1.00 50.22 C ATOM 679 CD1 ILE A 43 6.317 1.368 -6.073 1.00 54.52 C ATOM 0 H ILE A 43 10.418 1.085 -7.053 1.00 10.22 H new ATOM 0 HA ILE A 43 10.331 -0.859 -4.829 1.00 20.35 H new ATOM 0 HB ILE A 43 7.836 -0.775 -5.028 1.00 53.31 H new ATOM 0 HG12 ILE A 43 8.299 1.599 -6.867 1.00 32.40 H new ATOM 0 HG13 ILE A 43 7.535 0.079 -7.285 1.00 32.40 H new ATOM 0 HG21 ILE A 43 7.587 1.409 -3.819 1.00 50.22 H new ATOM 0 HG22 ILE A 43 9.005 0.491 -3.258 1.00 50.22 H new ATOM 0 HG23 ILE A 43 9.218 1.872 -4.360 1.00 50.22 H new ATOM 0 HD11 ILE A 43 5.851 1.840 -6.938 1.00 54.52 H new ATOM 0 HD12 ILE A 43 5.676 0.565 -5.709 1.00 54.52 H new ATOM 0 HD13 ILE A 43 6.453 2.109 -5.285 1.00 54.52 H new ATOM 691 N SER A 44 9.398 -2.799 -6.174 1.00 23.43 N ATOM 692 CA SER A 44 9.272 -4.069 -6.925 1.00 2.23 C ATOM 693 C SER A 44 7.994 -4.039 -7.810 1.00 63.13 C ATOM 694 O SER A 44 6.995 -3.465 -7.393 1.00 32.12 O ATOM 695 CB SER A 44 9.256 -5.244 -5.904 1.00 13.14 C ATOM 696 OG SER A 44 10.337 -5.131 -4.991 1.00 21.21 O ATOM 0 H SER A 44 9.219 -2.905 -5.176 1.00 23.43 H new ATOM 0 HA SER A 44 10.118 -4.207 -7.598 1.00 2.23 H new ATOM 0 HB2 SER A 44 8.312 -5.246 -5.359 1.00 13.14 H new ATOM 0 HB3 SER A 44 9.320 -6.194 -6.435 1.00 13.14 H new ATOM 0 HG SER A 44 10.309 -5.877 -4.357 1.00 21.21 H new ATOM 702 N GLN A 45 8.056 -4.652 -9.024 1.00 11.51 N ATOM 703 CA GLN A 45 6.999 -4.566 -10.069 1.00 51.41 C ATOM 704 C GLN A 45 5.569 -4.914 -9.557 1.00 53.42 C ATOM 705 O GLN A 45 4.607 -4.200 -9.874 1.00 31.34 O ATOM 706 CB GLN A 45 7.389 -5.465 -11.283 1.00 72.11 C ATOM 707 CG GLN A 45 6.324 -5.562 -12.401 1.00 22.25 C ATOM 708 CD GLN A 45 6.766 -6.438 -13.566 1.00 3.01 C ATOM 709 OE1 GLN A 45 7.313 -5.956 -14.559 1.00 72.04 O ATOM 710 NE2 GLN A 45 6.581 -7.740 -13.428 1.00 24.14 N ATOM 0 H GLN A 45 8.850 -5.226 -9.307 1.00 11.51 H new ATOM 0 HA GLN A 45 6.948 -3.522 -10.376 1.00 51.41 H new ATOM 0 HB2 GLN A 45 8.313 -5.082 -11.716 1.00 72.11 H new ATOM 0 HB3 GLN A 45 7.601 -6.470 -10.917 1.00 72.11 H new ATOM 0 HG2 GLN A 45 5.400 -5.962 -11.982 1.00 22.25 H new ATOM 0 HG3 GLN A 45 6.100 -4.561 -12.770 1.00 22.25 H new ATOM 0 HE21 GLN A 45 6.124 -8.104 -12.592 1.00 24.14 H new ATOM 0 HE22 GLN A 45 6.895 -8.380 -14.158 1.00 24.14 H new ATOM 719 N GLU A 46 5.444 -5.979 -8.743 1.00 33.03 N ATOM 720 CA GLU A 46 4.138 -6.496 -8.254 1.00 12.04 C ATOM 721 C GLU A 46 3.605 -5.647 -7.093 1.00 42.31 C ATOM 722 O GLU A 46 2.402 -5.646 -6.790 1.00 61.05 O ATOM 723 CB GLU A 46 4.281 -7.995 -7.830 1.00 2.20 C ATOM 724 CG GLU A 46 4.217 -9.020 -8.994 1.00 32.44 C ATOM 725 CD GLU A 46 5.054 -8.648 -10.231 1.00 61.12 C ATOM 726 OE1 GLU A 46 6.303 -8.721 -10.170 1.00 61.04 O ATOM 727 OE2 GLU A 46 4.473 -8.266 -11.270 1.00 2.10 O ATOM 0 H GLU A 46 6.244 -6.511 -8.401 1.00 33.03 H new ATOM 0 HA GLU A 46 3.415 -6.430 -9.067 1.00 12.04 H new ATOM 0 HB2 GLU A 46 5.230 -8.120 -7.309 1.00 2.20 H new ATOM 0 HB3 GLU A 46 3.492 -8.231 -7.116 1.00 2.20 H new ATOM 0 HG2 GLU A 46 4.552 -9.989 -8.624 1.00 32.44 H new ATOM 0 HG3 GLU A 46 3.177 -9.137 -9.299 1.00 32.44 H new ATOM 734 N GLU A 47 4.528 -4.923 -6.467 1.00 74.33 N ATOM 735 CA GLU A 47 4.255 -4.041 -5.324 1.00 73.02 C ATOM 736 C GLU A 47 3.828 -2.665 -5.873 1.00 34.43 C ATOM 737 O GLU A 47 2.960 -2.001 -5.307 1.00 45.33 O ATOM 738 CB GLU A 47 5.537 -3.997 -4.413 1.00 30.01 C ATOM 739 CG GLU A 47 5.449 -3.223 -3.061 1.00 73.22 C ATOM 740 CD GLU A 47 5.929 -1.773 -3.138 1.00 75.24 C ATOM 741 OE1 GLU A 47 7.021 -1.498 -2.633 1.00 3.13 O ATOM 742 OE2 GLU A 47 5.248 -0.924 -3.718 1.00 42.33 O ATOM 0 H GLU A 47 5.510 -4.929 -6.742 1.00 74.33 H new ATOM 0 HA GLU A 47 3.439 -4.402 -4.698 1.00 73.02 H new ATOM 0 HB2 GLU A 47 5.824 -5.025 -4.191 1.00 30.01 H new ATOM 0 HB3 GLU A 47 6.346 -3.559 -4.997 1.00 30.01 H new ATOM 0 HG2 GLU A 47 4.415 -3.234 -2.715 1.00 73.22 H new ATOM 0 HG3 GLU A 47 6.041 -3.751 -2.313 1.00 73.22 H new ATOM 749 N ARG A 48 4.433 -2.291 -7.028 1.00 13.41 N ATOM 750 CA ARG A 48 4.059 -1.108 -7.810 1.00 2.32 C ATOM 751 C ARG A 48 2.635 -1.297 -8.354 1.00 45.31 C ATOM 752 O ARG A 48 1.844 -0.361 -8.360 1.00 41.12 O ATOM 753 CB ARG A 48 5.056 -0.874 -8.969 1.00 23.04 C ATOM 754 CG ARG A 48 4.795 0.413 -9.780 1.00 20.41 C ATOM 755 CD ARG A 48 5.791 0.615 -10.934 1.00 4.01 C ATOM 756 NE ARG A 48 5.791 -0.520 -11.881 1.00 73.31 N ATOM 757 CZ ARG A 48 6.889 -1.093 -12.396 1.00 40.22 C ATOM 758 NH1 ARG A 48 8.102 -0.647 -12.073 1.00 74.11 N ATOM 759 NH2 ARG A 48 6.774 -2.113 -13.234 1.00 33.14 N ATOM 0 H ARG A 48 5.204 -2.817 -7.440 1.00 13.41 H new ATOM 0 HA ARG A 48 4.090 -0.229 -7.166 1.00 2.32 H new ATOM 0 HB2 ARG A 48 6.066 -0.834 -8.562 1.00 23.04 H new ATOM 0 HB3 ARG A 48 5.018 -1.729 -9.644 1.00 23.04 H new ATOM 0 HG2 ARG A 48 3.783 0.381 -10.184 1.00 20.41 H new ATOM 0 HG3 ARG A 48 4.845 1.272 -9.111 1.00 20.41 H new ATOM 0 HD2 ARG A 48 5.542 1.532 -11.469 1.00 4.01 H new ATOM 0 HD3 ARG A 48 6.794 0.745 -10.527 1.00 4.01 H new ATOM 0 HE ARG A 48 4.886 -0.896 -12.165 1.00 73.31 H new ATOM 0 HH11 ARG A 48 8.202 0.137 -11.428 1.00 74.11 H new ATOM 0 HH12 ARG A 48 8.931 -1.090 -12.470 1.00 74.11 H new ATOM 0 HH21 ARG A 48 5.850 -2.463 -13.488 1.00 33.14 H new ATOM 0 HH22 ARG A 48 7.609 -2.548 -13.625 1.00 33.14 H new ATOM 773 N ASN A 49 2.327 -2.554 -8.791 1.00 21.14 N ATOM 774 CA ASN A 49 0.962 -2.955 -9.210 1.00 33.14 C ATOM 775 C ASN A 49 -0.028 -2.730 -8.055 1.00 4.10 C ATOM 776 O ASN A 49 -1.059 -2.094 -8.242 1.00 3.25 O ATOM 777 CB ASN A 49 0.882 -4.443 -9.698 1.00 75.42 C ATOM 778 CG ASN A 49 1.627 -4.724 -11.007 1.00 52.34 C ATOM 779 OD1 ASN A 49 1.912 -3.822 -11.795 1.00 0.23 O ATOM 780 ND2 ASN A 49 1.865 -5.995 -11.290 1.00 23.43 N ATOM 0 H ASN A 49 3.014 -3.305 -8.860 1.00 21.14 H new ATOM 0 HA ASN A 49 0.696 -2.328 -10.061 1.00 33.14 H new ATOM 0 HB2 ASN A 49 1.286 -5.090 -8.919 1.00 75.42 H new ATOM 0 HB3 ASN A 49 -0.166 -4.714 -9.826 1.00 75.42 H new ATOM 0 HD21 ASN A 49 2.295 -6.247 -12.180 1.00 23.43 H new ATOM 0 HD22 ASN A 49 1.618 -6.722 -10.618 1.00 23.43 H new ATOM 787 N ALA A 50 0.357 -3.208 -6.844 1.00 74.41 N ATOM 788 CA ALA A 50 -0.482 -3.141 -5.626 1.00 52.42 C ATOM 789 C ALA A 50 -0.824 -1.682 -5.228 1.00 52.35 C ATOM 790 O ALA A 50 -1.988 -1.379 -4.955 1.00 60.25 O ATOM 791 CB ALA A 50 0.221 -3.870 -4.463 1.00 3.11 C ATOM 0 H ALA A 50 1.262 -3.652 -6.688 1.00 74.41 H new ATOM 0 HA ALA A 50 -1.426 -3.639 -5.847 1.00 52.42 H new ATOM 0 HB1 ALA A 50 -0.402 -3.817 -3.570 1.00 3.11 H new ATOM 0 HB2 ALA A 50 0.381 -4.914 -4.732 1.00 3.11 H new ATOM 0 HB3 ALA A 50 1.182 -3.395 -4.264 1.00 3.11 H new ATOM 797 N LEU A 51 0.196 -0.788 -5.219 1.00 34.23 N ATOM 798 CA LEU A 51 0.018 0.625 -4.804 1.00 24.52 C ATOM 799 C LEU A 51 -0.648 1.479 -5.914 1.00 73.02 C ATOM 800 O LEU A 51 -1.285 2.494 -5.606 1.00 52.32 O ATOM 801 CB LEU A 51 1.358 1.284 -4.351 1.00 41.43 C ATOM 802 CG LEU A 51 2.201 0.613 -3.202 1.00 11.34 C ATOM 803 CD1 LEU A 51 3.384 1.527 -2.794 1.00 54.51 C ATOM 804 CD2 LEU A 51 1.371 0.235 -1.955 1.00 32.51 C ATOM 0 H LEU A 51 1.150 -1.021 -5.494 1.00 34.23 H new ATOM 0 HA LEU A 51 -0.652 0.600 -3.944 1.00 24.52 H new ATOM 0 HB2 LEU A 51 2.000 1.355 -5.229 1.00 41.43 H new ATOM 0 HB3 LEU A 51 1.132 2.303 -4.038 1.00 41.43 H new ATOM 0 HG LEU A 51 2.576 -0.323 -3.616 1.00 11.34 H new ATOM 0 HD11 LEU A 51 3.956 1.049 -1.999 1.00 54.51 H new ATOM 0 HD12 LEU A 51 4.030 1.693 -3.656 1.00 54.51 H new ATOM 0 HD13 LEU A 51 2.999 2.483 -2.439 1.00 54.51 H new ATOM 0 HD21 LEU A 51 2.022 -0.221 -1.209 1.00 32.51 H new ATOM 0 HD22 LEU A 51 0.913 1.132 -1.537 1.00 32.51 H new ATOM 0 HD23 LEU A 51 0.591 -0.472 -2.238 1.00 32.51 H new ATOM 816 N ASN A 52 -0.494 1.068 -7.191 1.00 42.30 N ATOM 817 CA ASN A 52 -1.207 1.703 -8.329 1.00 71.13 C ATOM 818 C ASN A 52 -2.703 1.389 -8.252 1.00 11.20 C ATOM 819 O ASN A 52 -3.547 2.284 -8.420 1.00 21.13 O ATOM 820 CB ASN A 52 -0.633 1.271 -9.714 1.00 20.54 C ATOM 821 CG ASN A 52 0.644 2.017 -10.104 1.00 71.34 C ATOM 822 OD1 ASN A 52 1.432 2.424 -9.247 1.00 60.41 O ATOM 823 ND2 ASN A 52 0.848 2.215 -11.403 1.00 4.34 N ATOM 0 H ASN A 52 0.118 0.299 -7.464 1.00 42.30 H new ATOM 0 HA ASN A 52 -1.054 2.779 -8.245 1.00 71.13 H new ATOM 0 HB2 ASN A 52 -0.428 0.201 -9.696 1.00 20.54 H new ATOM 0 HB3 ASN A 52 -1.390 1.437 -10.480 1.00 20.54 H new ATOM 0 HD21 ASN A 52 1.678 2.718 -11.718 1.00 4.34 H new ATOM 0 HD22 ASN A 52 0.175 1.864 -12.084 1.00 4.34 H new ATOM 830 N ILE A 53 -3.006 0.107 -7.963 1.00 71.32 N ATOM 831 CA ILE A 53 -4.387 -0.381 -7.774 1.00 41.44 C ATOM 832 C ILE A 53 -4.991 0.303 -6.533 1.00 1.11 C ATOM 833 O ILE A 53 -6.165 0.670 -6.537 1.00 4.45 O ATOM 834 CB ILE A 53 -4.446 -1.961 -7.636 1.00 41.35 C ATOM 835 CG1 ILE A 53 -4.056 -2.651 -8.994 1.00 43.42 C ATOM 836 CG2 ILE A 53 -5.834 -2.462 -7.123 1.00 15.43 C ATOM 837 CD1 ILE A 53 -3.921 -4.168 -8.928 1.00 2.41 C ATOM 0 H ILE A 53 -2.299 -0.620 -7.854 1.00 71.32 H new ATOM 0 HA ILE A 53 -4.972 -0.126 -8.658 1.00 41.44 H new ATOM 0 HB ILE A 53 -3.714 -2.247 -6.881 1.00 41.35 H new ATOM 0 HG12 ILE A 53 -4.809 -2.400 -9.741 1.00 43.42 H new ATOM 0 HG13 ILE A 53 -3.111 -2.231 -9.340 1.00 43.42 H new ATOM 0 HG21 ILE A 53 -5.823 -3.549 -7.046 1.00 15.43 H new ATOM 0 HG22 ILE A 53 -6.037 -2.031 -6.143 1.00 15.43 H new ATOM 0 HG23 ILE A 53 -6.612 -2.156 -7.822 1.00 15.43 H new ATOM 0 HD11 ILE A 53 -3.650 -4.552 -9.911 1.00 2.41 H new ATOM 0 HD12 ILE A 53 -3.146 -4.433 -8.209 1.00 2.41 H new ATOM 0 HD13 ILE A 53 -4.870 -4.605 -8.617 1.00 2.41 H new ATOM 849 N ALA A 54 -4.138 0.525 -5.507 1.00 42.12 N ATOM 850 CA ALA A 54 -4.529 1.170 -4.242 1.00 11.21 C ATOM 851 C ALA A 54 -5.006 2.612 -4.488 1.00 44.14 C ATOM 852 O ALA A 54 -6.153 2.933 -4.180 1.00 51.13 O ATOM 853 CB ALA A 54 -3.365 1.145 -3.235 1.00 10.41 C ATOM 0 H ALA A 54 -3.154 0.258 -5.538 1.00 42.12 H new ATOM 0 HA ALA A 54 -5.359 0.606 -3.817 1.00 11.21 H new ATOM 0 HB1 ALA A 54 -3.676 1.627 -2.308 1.00 10.41 H new ATOM 0 HB2 ALA A 54 -3.083 0.112 -3.031 1.00 10.41 H new ATOM 0 HB3 ALA A 54 -2.511 1.679 -3.653 1.00 10.41 H new ATOM 859 N GLU A 55 -4.134 3.434 -5.125 1.00 72.32 N ATOM 860 CA GLU A 55 -4.375 4.884 -5.307 1.00 74.45 C ATOM 861 C GLU A 55 -5.550 5.149 -6.258 1.00 21.31 C ATOM 862 O GLU A 55 -6.434 5.949 -5.931 1.00 72.03 O ATOM 863 CB GLU A 55 -3.100 5.613 -5.797 1.00 63.13 C ATOM 864 CG GLU A 55 -3.323 7.108 -6.145 1.00 4.31 C ATOM 865 CD GLU A 55 -2.026 7.868 -6.431 1.00 10.24 C ATOM 866 OE1 GLU A 55 -1.418 7.644 -7.498 1.00 2.40 O ATOM 867 OE2 GLU A 55 -1.609 8.699 -5.603 1.00 75.01 O ATOM 0 H GLU A 55 -3.252 3.112 -5.523 1.00 72.32 H new ATOM 0 HA GLU A 55 -4.640 5.287 -4.330 1.00 74.45 H new ATOM 0 HB2 GLU A 55 -2.333 5.540 -5.026 1.00 63.13 H new ATOM 0 HB3 GLU A 55 -2.716 5.099 -6.678 1.00 63.13 H new ATOM 0 HG2 GLU A 55 -3.975 7.177 -7.016 1.00 4.31 H new ATOM 0 HG3 GLU A 55 -3.843 7.592 -5.318 1.00 4.31 H new ATOM 874 N LYS A 56 -5.573 4.440 -7.411 1.00 2.34 N ATOM 875 CA LYS A 56 -6.646 4.618 -8.422 1.00 43.10 C ATOM 876 C LYS A 56 -8.010 4.226 -7.826 1.00 43.44 C ATOM 877 O LYS A 56 -9.041 4.792 -8.191 1.00 72.24 O ATOM 878 CB LYS A 56 -6.370 3.803 -9.721 1.00 53.33 C ATOM 879 CG LYS A 56 -5.166 4.288 -10.570 1.00 50.11 C ATOM 880 CD LYS A 56 -5.318 5.747 -11.072 1.00 12.15 C ATOM 881 CE LYS A 56 -4.107 6.212 -11.899 1.00 31.42 C ATOM 882 NZ LYS A 56 -4.204 7.642 -12.294 1.00 34.51 N ATOM 0 H LYS A 56 -4.870 3.746 -7.664 1.00 2.34 H new ATOM 0 HA LYS A 56 -6.662 5.673 -8.697 1.00 43.10 H new ATOM 0 HB2 LYS A 56 -6.203 2.761 -9.447 1.00 53.33 H new ATOM 0 HB3 LYS A 56 -7.265 3.829 -10.343 1.00 53.33 H new ATOM 0 HG2 LYS A 56 -4.256 4.209 -9.976 1.00 50.11 H new ATOM 0 HG3 LYS A 56 -5.045 3.627 -11.428 1.00 50.11 H new ATOM 0 HD2 LYS A 56 -6.221 5.828 -11.678 1.00 12.15 H new ATOM 0 HD3 LYS A 56 -5.447 6.411 -10.217 1.00 12.15 H new ATOM 0 HE2 LYS A 56 -3.196 6.059 -11.321 1.00 31.42 H new ATOM 0 HE3 LYS A 56 -4.024 5.596 -12.794 1.00 31.42 H new ATOM 0 HZ1 LYS A 56 -3.365 7.907 -12.849 1.00 34.51 H new ATOM 0 HZ2 LYS A 56 -5.059 7.786 -12.869 1.00 34.51 H new ATOM 0 HZ3 LYS A 56 -4.256 8.235 -11.441 1.00 34.51 H new ATOM 896 N ALA A 57 -7.984 3.268 -6.881 1.00 72.44 N ATOM 897 CA ALA A 57 -9.177 2.819 -6.160 1.00 24.31 C ATOM 898 C ALA A 57 -9.616 3.862 -5.099 1.00 72.14 C ATOM 899 O ALA A 57 -10.818 4.055 -4.909 1.00 50.43 O ATOM 900 CB ALA A 57 -8.924 1.451 -5.524 1.00 63.42 C ATOM 0 H ALA A 57 -7.130 2.786 -6.599 1.00 72.44 H new ATOM 0 HA ALA A 57 -9.995 2.720 -6.873 1.00 24.31 H new ATOM 0 HB1 ALA A 57 -9.818 1.127 -4.991 1.00 63.42 H new ATOM 0 HB2 ALA A 57 -8.683 0.727 -6.302 1.00 63.42 H new ATOM 0 HB3 ALA A 57 -8.090 1.523 -4.825 1.00 63.42 H new ATOM 906 N LEU A 58 -8.635 4.537 -4.423 1.00 32.43 N ATOM 907 CA LEU A 58 -8.939 5.612 -3.427 1.00 74.41 C ATOM 908 C LEU A 58 -9.744 6.731 -4.119 1.00 22.33 C ATOM 909 O LEU A 58 -10.797 7.145 -3.621 1.00 5.31 O ATOM 910 CB LEU A 58 -7.650 6.252 -2.769 1.00 44.23 C ATOM 911 CG LEU A 58 -6.502 5.313 -2.124 1.00 44.31 C ATOM 912 CD1 LEU A 58 -5.319 6.110 -1.479 1.00 73.24 C ATOM 913 CD2 LEU A 58 -7.005 4.227 -1.107 1.00 52.34 C ATOM 0 H LEU A 58 -7.639 4.357 -4.549 1.00 32.43 H new ATOM 0 HA LEU A 58 -9.508 5.140 -2.626 1.00 74.41 H new ATOM 0 HB2 LEU A 58 -7.171 6.866 -3.532 1.00 44.23 H new ATOM 0 HB3 LEU A 58 -7.991 6.927 -1.984 1.00 44.23 H new ATOM 0 HG LEU A 58 -6.137 4.783 -3.004 1.00 44.31 H new ATOM 0 HD11 LEU A 58 -4.590 5.411 -1.068 1.00 73.24 H new ATOM 0 HD12 LEU A 58 -4.840 6.729 -2.238 1.00 73.24 H new ATOM 0 HD13 LEU A 58 -5.701 6.746 -0.681 1.00 73.24 H new ATOM 0 HD21 LEU A 58 -6.155 3.654 -0.736 1.00 52.34 H new ATOM 0 HD22 LEU A 58 -7.506 4.715 -0.271 1.00 52.34 H new ATOM 0 HD23 LEU A 58 -7.704 3.556 -1.607 1.00 52.34 H new ATOM 925 N ASP A 59 -9.239 7.172 -5.291 1.00 74.32 N ATOM 926 CA ASP A 59 -9.869 8.241 -6.101 1.00 42.13 C ATOM 927 C ASP A 59 -11.212 7.777 -6.706 1.00 4.05 C ATOM 928 O ASP A 59 -12.128 8.589 -6.895 1.00 40.24 O ATOM 929 CB ASP A 59 -8.907 8.720 -7.227 1.00 70.45 C ATOM 930 CG ASP A 59 -7.616 9.354 -6.681 1.00 22.32 C ATOM 931 OD1 ASP A 59 -6.548 8.703 -6.701 1.00 20.31 O ATOM 932 OD2 ASP A 59 -7.657 10.513 -6.208 1.00 20.44 O ATOM 0 H ASP A 59 -8.384 6.799 -5.703 1.00 74.32 H new ATOM 0 HA ASP A 59 -10.073 9.079 -5.434 1.00 42.13 H new ATOM 0 HB2 ASP A 59 -8.649 7.873 -7.863 1.00 70.45 H new ATOM 0 HB3 ASP A 59 -9.424 9.445 -7.856 1.00 70.45 H new ATOM 937 N ASN A 60 -11.325 6.474 -7.017 1.00 44.00 N ATOM 938 CA ASN A 60 -12.583 5.875 -7.533 1.00 31.14 C ATOM 939 C ASN A 60 -13.540 5.512 -6.363 1.00 52.24 C ATOM 940 O ASN A 60 -14.678 5.094 -6.596 1.00 15.43 O ATOM 941 CB ASN A 60 -12.256 4.635 -8.420 1.00 13.03 C ATOM 942 CG ASN A 60 -13.462 4.082 -9.203 1.00 4.14 C ATOM 943 OD1 ASN A 60 -14.345 4.824 -9.634 1.00 0.43 O ATOM 944 ND2 ASN A 60 -13.510 2.776 -9.395 1.00 45.10 N ATOM 0 H ASN A 60 -10.560 5.807 -6.922 1.00 44.00 H new ATOM 0 HA ASN A 60 -13.099 6.607 -8.154 1.00 31.14 H new ATOM 0 HB2 ASN A 60 -11.471 4.905 -9.127 1.00 13.03 H new ATOM 0 HB3 ASN A 60 -11.856 3.844 -7.786 1.00 13.03 H new ATOM 0 HD21 ASN A 60 -14.289 2.364 -9.909 1.00 45.10 H new ATOM 0 HD22 ASN A 60 -12.768 2.179 -9.029 1.00 45.10 H new ATOM 951 N SER A 61 -13.052 5.674 -5.103 1.00 30.24 N ATOM 952 CA SER A 61 -13.860 5.552 -3.863 1.00 34.14 C ATOM 953 C SER A 61 -14.364 4.107 -3.665 1.00 30.21 C ATOM 954 O SER A 61 -15.479 3.865 -3.186 1.00 54.34 O ATOM 955 CB SER A 61 -15.020 6.592 -3.849 1.00 13.13 C ATOM 956 OG SER A 61 -15.689 6.641 -2.594 1.00 14.43 O ATOM 0 H SER A 61 -12.073 5.896 -4.920 1.00 30.24 H new ATOM 0 HA SER A 61 -13.217 5.780 -3.012 1.00 34.14 H new ATOM 0 HB2 SER A 61 -14.622 7.579 -4.084 1.00 13.13 H new ATOM 0 HB3 SER A 61 -15.737 6.343 -4.631 1.00 13.13 H new ATOM 0 HG SER A 61 -15.887 5.730 -2.293 1.00 14.43 H new ATOM 962 N GLU A 62 -13.476 3.153 -3.969 1.00 42.21 N ATOM 963 CA GLU A 62 -13.731 1.704 -3.845 1.00 4.41 C ATOM 964 C GLU A 62 -13.473 1.186 -2.404 1.00 53.43 C ATOM 965 O GLU A 62 -13.106 0.026 -2.214 1.00 74.22 O ATOM 966 CB GLU A 62 -12.883 0.946 -4.909 1.00 54.44 C ATOM 967 CG GLU A 62 -13.307 1.239 -6.365 1.00 65.44 C ATOM 968 CD GLU A 62 -14.776 0.892 -6.643 1.00 72.43 C ATOM 969 OE1 GLU A 62 -15.107 -0.312 -6.702 1.00 33.14 O ATOM 970 OE2 GLU A 62 -15.609 1.811 -6.790 1.00 60.30 O ATOM 0 H GLU A 62 -12.540 3.366 -4.315 1.00 42.21 H new ATOM 0 HA GLU A 62 -14.787 1.511 -4.037 1.00 4.41 H new ATOM 0 HB2 GLU A 62 -11.834 1.216 -4.784 1.00 54.44 H new ATOM 0 HB3 GLU A 62 -12.960 -0.126 -4.726 1.00 54.44 H new ATOM 0 HG2 GLU A 62 -13.142 2.295 -6.580 1.00 65.44 H new ATOM 0 HG3 GLU A 62 -12.671 0.672 -7.044 1.00 65.44 H new ATOM 977 N TYR A 63 -13.718 2.076 -1.408 1.00 41.30 N ATOM 978 CA TYR A 63 -13.821 1.779 0.041 1.00 32.34 C ATOM 979 C TYR A 63 -12.466 1.463 0.686 1.00 64.12 C ATOM 980 O TYR A 63 -11.852 0.449 0.359 1.00 65.10 O ATOM 981 CB TYR A 63 -14.850 0.644 0.334 1.00 2.04 C ATOM 982 CG TYR A 63 -16.299 0.999 -0.063 1.00 72.53 C ATOM 983 CD1 TYR A 63 -17.172 1.594 0.852 1.00 72.31 C ATOM 984 CD2 TYR A 63 -16.776 0.755 -1.354 1.00 41.24 C ATOM 985 CE1 TYR A 63 -18.460 1.924 0.492 1.00 61.44 C ATOM 986 CE2 TYR A 63 -18.061 1.084 -1.712 1.00 22.22 C ATOM 987 CZ TYR A 63 -18.893 1.663 -0.793 1.00 61.40 C ATOM 988 OH TYR A 63 -20.172 2.002 -1.154 1.00 4.04 O ATOM 0 H TYR A 63 -13.855 3.067 -1.605 1.00 41.30 H new ATOM 0 HA TYR A 63 -14.188 2.696 0.502 1.00 32.34 H new ATOM 0 HB2 TYR A 63 -14.547 -0.256 -0.201 1.00 2.04 H new ATOM 0 HB3 TYR A 63 -14.822 0.407 1.398 1.00 2.04 H new ATOM 0 HD1 TYR A 63 -16.832 1.798 1.856 1.00 72.31 H new ATOM 0 HD2 TYR A 63 -16.123 0.300 -2.083 1.00 41.24 H new ATOM 0 HE1 TYR A 63 -19.125 2.383 1.208 1.00 61.44 H new ATOM 0 HE2 TYR A 63 -18.413 0.887 -2.714 1.00 22.22 H new ATOM 0 HH TYR A 63 -20.324 1.755 -2.090 1.00 4.04 H new ATOM 998 N LEU A 64 -12.044 2.311 1.664 1.00 14.43 N ATOM 999 CA LEU A 64 -10.781 2.094 2.425 1.00 71.42 C ATOM 1000 C LEU A 64 -10.752 0.672 3.055 1.00 13.41 C ATOM 1001 O LEU A 64 -9.724 0.025 2.930 1.00 24.02 O ATOM 1002 CB LEU A 64 -10.512 3.153 3.564 1.00 62.23 C ATOM 1003 CG LEU A 64 -10.285 4.677 3.229 1.00 34.13 C ATOM 1004 CD1 LEU A 64 -10.441 5.518 4.524 1.00 42.02 C ATOM 1005 CD2 LEU A 64 -8.888 4.987 2.595 1.00 62.22 C ATOM 0 H LEU A 64 -12.557 3.147 1.943 1.00 14.43 H new ATOM 0 HA LEU A 64 -9.990 2.211 1.685 1.00 71.42 H new ATOM 0 HB2 LEU A 64 -11.356 3.101 4.252 1.00 62.23 H new ATOM 0 HB3 LEU A 64 -9.633 2.814 4.112 1.00 62.23 H new ATOM 0 HG LEU A 64 -11.037 4.940 2.485 1.00 34.13 H new ATOM 0 HD11 LEU A 64 -10.284 6.572 4.294 1.00 42.02 H new ATOM 0 HD12 LEU A 64 -11.444 5.380 4.929 1.00 42.02 H new ATOM 0 HD13 LEU A 64 -9.705 5.194 5.259 1.00 42.02 H new ATOM 0 HD21 LEU A 64 -8.809 6.055 2.394 1.00 62.22 H new ATOM 0 HD22 LEU A 64 -8.100 4.689 3.287 1.00 62.22 H new ATOM 0 HD23 LEU A 64 -8.781 4.433 1.662 1.00 62.22 H new ATOM 1017 N PRO A 65 -11.849 0.162 3.758 1.00 73.11 N ATOM 1018 CA PRO A 65 -11.873 -1.233 4.272 1.00 11.03 C ATOM 1019 C PRO A 65 -11.588 -2.290 3.176 1.00 42.22 C ATOM 1020 O PRO A 65 -10.806 -3.220 3.395 1.00 43.30 O ATOM 1021 CB PRO A 65 -13.296 -1.380 4.891 1.00 53.32 C ATOM 1022 CG PRO A 65 -14.085 -0.227 4.343 1.00 43.33 C ATOM 1023 CD PRO A 65 -13.091 0.887 4.172 1.00 33.30 C ATOM 0 HA PRO A 65 -11.082 -1.412 5.000 1.00 11.03 H new ATOM 0 HB2 PRO A 65 -13.748 -2.333 4.616 1.00 53.32 H new ATOM 0 HB3 PRO A 65 -13.257 -1.348 5.980 1.00 53.32 H new ATOM 0 HG2 PRO A 65 -14.553 -0.486 3.393 1.00 43.33 H new ATOM 0 HG3 PRO A 65 -14.886 0.061 5.024 1.00 43.33 H new ATOM 0 HD2 PRO A 65 -13.412 1.603 3.416 1.00 33.30 H new ATOM 0 HD3 PRO A 65 -12.945 1.444 5.097 1.00 33.30 H new ATOM 1031 N LYS A 66 -12.185 -2.091 1.983 1.00 45.24 N ATOM 1032 CA LYS A 66 -12.000 -3.001 0.833 1.00 51.43 C ATOM 1033 C LYS A 66 -10.529 -3.001 0.377 1.00 63.32 C ATOM 1034 O LYS A 66 -9.962 -4.059 0.128 1.00 54.31 O ATOM 1035 CB LYS A 66 -12.980 -2.622 -0.340 1.00 23.30 C ATOM 1036 CG LYS A 66 -12.842 -3.471 -1.646 1.00 33.34 C ATOM 1037 CD LYS A 66 -11.798 -2.903 -2.663 1.00 71.22 C ATOM 1038 CE LYS A 66 -11.577 -3.806 -3.885 1.00 13.02 C ATOM 1039 NZ LYS A 66 -12.829 -4.032 -4.655 1.00 54.45 N ATOM 0 H LYS A 66 -12.803 -1.303 1.790 1.00 45.24 H new ATOM 0 HA LYS A 66 -12.246 -4.016 1.145 1.00 51.43 H new ATOM 0 HB2 LYS A 66 -14.004 -2.714 0.023 1.00 23.30 H new ATOM 0 HB3 LYS A 66 -12.824 -1.573 -0.593 1.00 23.30 H new ATOM 0 HG2 LYS A 66 -12.557 -4.488 -1.378 1.00 33.34 H new ATOM 0 HG3 LYS A 66 -13.815 -3.530 -2.134 1.00 33.34 H new ATOM 0 HD2 LYS A 66 -12.130 -1.922 -3.002 1.00 71.22 H new ATOM 0 HD3 LYS A 66 -10.846 -2.758 -2.152 1.00 71.22 H new ATOM 0 HE2 LYS A 66 -10.829 -3.355 -4.537 1.00 13.02 H new ATOM 0 HE3 LYS A 66 -11.177 -4.765 -3.557 1.00 13.02 H new ATOM 0 HZ1 LYS A 66 -12.626 -4.633 -5.479 1.00 54.45 H new ATOM 0 HZ2 LYS A 66 -13.530 -4.502 -4.048 1.00 54.45 H new ATOM 0 HZ3 LYS A 66 -13.208 -3.119 -4.978 1.00 54.45 H new ATOM 1053 N ILE A 67 -9.929 -1.798 0.305 1.00 63.34 N ATOM 1054 CA ILE A 67 -8.589 -1.578 -0.286 1.00 4.40 C ATOM 1055 C ILE A 67 -7.474 -1.915 0.712 1.00 42.32 C ATOM 1056 O ILE A 67 -6.385 -2.314 0.305 1.00 34.14 O ATOM 1057 CB ILE A 67 -8.448 -0.100 -0.797 1.00 24.23 C ATOM 1058 CG1 ILE A 67 -9.623 0.224 -1.763 1.00 21.11 C ATOM 1059 CG2 ILE A 67 -7.077 0.156 -1.490 1.00 55.03 C ATOM 1060 CD1 ILE A 67 -9.719 1.675 -2.180 1.00 31.41 C ATOM 0 H ILE A 67 -10.361 -0.943 0.657 1.00 63.34 H new ATOM 0 HA ILE A 67 -8.485 -2.251 -1.137 1.00 4.40 H new ATOM 0 HB ILE A 67 -8.489 0.563 0.067 1.00 24.23 H new ATOM 0 HG12 ILE A 67 -9.520 -0.390 -2.657 1.00 21.11 H new ATOM 0 HG13 ILE A 67 -10.559 -0.065 -1.284 1.00 21.11 H new ATOM 0 HG21 ILE A 67 -7.027 1.192 -1.826 1.00 55.03 H new ATOM 0 HG22 ILE A 67 -6.270 -0.035 -0.782 1.00 55.03 H new ATOM 0 HG23 ILE A 67 -6.973 -0.509 -2.347 1.00 55.03 H new ATOM 0 HD11 ILE A 67 -10.567 1.805 -2.852 1.00 31.41 H new ATOM 0 HD12 ILE A 67 -9.857 2.299 -1.297 1.00 31.41 H new ATOM 0 HD13 ILE A 67 -8.802 1.968 -2.691 1.00 31.41 H new ATOM 1072 N ILE A 68 -7.766 -1.769 2.012 1.00 41.33 N ATOM 1073 CA ILE A 68 -6.836 -2.138 3.085 1.00 34.22 C ATOM 1074 C ILE A 68 -6.761 -3.672 3.162 1.00 32.33 C ATOM 1075 O ILE A 68 -5.673 -4.239 3.310 1.00 24.02 O ATOM 1076 CB ILE A 68 -7.243 -1.479 4.461 1.00 14.54 C ATOM 1077 CG1 ILE A 68 -6.959 0.068 4.423 1.00 51.44 C ATOM 1078 CG2 ILE A 68 -6.532 -2.154 5.655 1.00 70.13 C ATOM 1079 CD1 ILE A 68 -7.439 0.850 5.636 1.00 30.23 C ATOM 0 H ILE A 68 -8.653 -1.392 2.347 1.00 41.33 H new ATOM 0 HA ILE A 68 -5.842 -1.750 2.861 1.00 34.22 H new ATOM 0 HB ILE A 68 -8.312 -1.633 4.607 1.00 14.54 H new ATOM 0 HG12 ILE A 68 -5.885 0.220 4.315 1.00 51.44 H new ATOM 0 HG13 ILE A 68 -7.431 0.485 3.533 1.00 51.44 H new ATOM 0 HG21 ILE A 68 -6.840 -1.671 6.582 1.00 70.13 H new ATOM 0 HG22 ILE A 68 -6.801 -3.210 5.689 1.00 70.13 H new ATOM 0 HG23 ILE A 68 -5.453 -2.059 5.537 1.00 70.13 H new ATOM 0 HD11 ILE A 68 -7.194 1.905 5.509 1.00 30.23 H new ATOM 0 HD12 ILE A 68 -8.518 0.738 5.738 1.00 30.23 H new ATOM 0 HD13 ILE A 68 -6.949 0.469 6.532 1.00 30.23 H new ATOM 1091 N LEU A 69 -7.928 -4.328 3.001 1.00 14.41 N ATOM 1092 CA LEU A 69 -8.021 -5.798 2.898 1.00 13.22 C ATOM 1093 C LEU A 69 -7.304 -6.267 1.599 1.00 62.04 C ATOM 1094 O LEU A 69 -6.491 -7.186 1.637 1.00 55.53 O ATOM 1095 CB LEU A 69 -9.535 -6.227 2.923 1.00 41.30 C ATOM 1096 CG LEU A 69 -9.886 -7.720 3.403 1.00 44.03 C ATOM 1097 CD1 LEU A 69 -11.420 -8.016 3.520 1.00 62.43 C ATOM 1098 CD2 LEU A 69 -9.220 -8.826 2.550 1.00 62.13 C ATOM 0 H LEU A 69 -8.830 -3.855 2.939 1.00 14.41 H new ATOM 0 HA LEU A 69 -7.526 -6.274 3.744 1.00 13.22 H new ATOM 0 HB2 LEU A 69 -10.068 -5.533 3.572 1.00 41.30 H new ATOM 0 HB3 LEU A 69 -9.936 -6.096 1.918 1.00 41.30 H new ATOM 0 HG LEU A 69 -9.459 -7.753 4.405 1.00 44.03 H new ATOM 0 HD11 LEU A 69 -11.568 -9.044 3.849 1.00 62.43 H new ATOM 0 HD12 LEU A 69 -11.868 -7.335 4.244 1.00 62.43 H new ATOM 0 HD13 LEU A 69 -11.893 -7.875 2.548 1.00 62.43 H new ATOM 0 HD21 LEU A 69 -9.505 -9.805 2.936 1.00 62.13 H new ATOM 0 HD22 LEU A 69 -9.549 -8.735 1.515 1.00 62.13 H new ATOM 0 HD23 LEU A 69 -8.136 -8.719 2.597 1.00 62.13 H new ATOM 1110 N ASN A 70 -7.578 -5.573 0.477 1.00 43.54 N ATOM 1111 CA ASN A 70 -7.065 -5.937 -0.865 1.00 62.42 C ATOM 1112 C ASN A 70 -5.532 -5.757 -0.951 1.00 55.23 C ATOM 1113 O ASN A 70 -4.839 -6.603 -1.525 1.00 63.43 O ATOM 1114 CB ASN A 70 -7.802 -5.113 -1.969 1.00 13.14 C ATOM 1115 CG ASN A 70 -7.257 -5.351 -3.383 1.00 21.15 C ATOM 1116 OD1 ASN A 70 -7.684 -6.271 -4.083 1.00 70.23 O ATOM 1117 ND2 ASN A 70 -6.308 -4.531 -3.813 1.00 13.04 N ATOM 0 H ASN A 70 -8.165 -4.739 0.473 1.00 43.54 H new ATOM 0 HA ASN A 70 -7.271 -6.994 -1.035 1.00 62.42 H new ATOM 0 HB2 ASN A 70 -8.862 -5.365 -1.951 1.00 13.14 H new ATOM 0 HB3 ASN A 70 -7.722 -4.052 -1.732 1.00 13.14 H new ATOM 0 HD21 ASN A 70 -5.912 -4.653 -4.745 1.00 13.04 H new ATOM 0 HD22 ASN A 70 -5.974 -3.778 -3.212 1.00 13.04 H new ATOM 1124 N LEU A 71 -5.008 -4.683 -0.330 1.00 23.51 N ATOM 1125 CA LEU A 71 -3.566 -4.377 -0.339 1.00 22.11 C ATOM 1126 C LEU A 71 -2.852 -5.359 0.582 1.00 61.10 C ATOM 1127 O LEU A 71 -1.806 -5.902 0.225 1.00 51.21 O ATOM 1128 CB LEU A 71 -3.296 -2.918 0.113 1.00 62.15 C ATOM 1129 CG LEU A 71 -1.792 -2.443 0.216 1.00 63.33 C ATOM 1130 CD1 LEU A 71 -1.093 -2.367 -1.161 1.00 0.20 C ATOM 1131 CD2 LEU A 71 -1.692 -1.094 0.965 1.00 14.55 C ATOM 0 H LEU A 71 -5.569 -4.007 0.189 1.00 23.51 H new ATOM 0 HA LEU A 71 -3.187 -4.477 -1.356 1.00 22.11 H new ATOM 0 HB2 LEU A 71 -3.810 -2.252 -0.580 1.00 62.15 H new ATOM 0 HB3 LEU A 71 -3.758 -2.779 1.090 1.00 62.15 H new ATOM 0 HG LEU A 71 -1.261 -3.201 0.792 1.00 63.33 H new ATOM 0 HD11 LEU A 71 -0.063 -2.035 -1.028 1.00 0.20 H new ATOM 0 HD12 LEU A 71 -1.100 -3.352 -1.627 1.00 0.20 H new ATOM 0 HD13 LEU A 71 -1.623 -1.660 -1.799 1.00 0.20 H new ATOM 0 HD21 LEU A 71 -0.648 -0.787 1.024 1.00 14.55 H new ATOM 0 HD22 LEU A 71 -2.263 -0.337 0.428 1.00 14.55 H new ATOM 0 HD23 LEU A 71 -2.094 -1.206 1.972 1.00 14.55 H new ATOM 1143 N ARG A 72 -3.465 -5.621 1.757 1.00 43.33 N ATOM 1144 CA ARG A 72 -2.946 -6.619 2.704 1.00 3.14 C ATOM 1145 C ARG A 72 -3.006 -8.033 2.060 1.00 32.01 C ATOM 1146 O ARG A 72 -2.190 -8.888 2.378 1.00 74.32 O ATOM 1147 CB ARG A 72 -3.699 -6.592 4.074 1.00 63.31 C ATOM 1148 CG ARG A 72 -3.055 -7.476 5.160 1.00 41.35 C ATOM 1149 CD ARG A 72 -3.970 -7.708 6.356 1.00 53.25 C ATOM 1150 NE ARG A 72 -5.167 -8.485 6.002 1.00 10.32 N ATOM 1151 CZ ARG A 72 -5.726 -9.435 6.768 1.00 74.40 C ATOM 1152 NH1 ARG A 72 -5.215 -9.743 7.952 1.00 14.41 N ATOM 1153 NH2 ARG A 72 -6.783 -10.087 6.338 1.00 11.32 N ATOM 0 H ARG A 72 -4.317 -5.154 2.067 1.00 43.33 H new ATOM 0 HA ARG A 72 -1.908 -6.365 2.920 1.00 3.14 H new ATOM 0 HB2 ARG A 72 -3.741 -5.564 4.434 1.00 63.31 H new ATOM 0 HB3 ARG A 72 -4.728 -6.917 3.918 1.00 63.31 H new ATOM 0 HG2 ARG A 72 -2.784 -8.438 4.725 1.00 41.35 H new ATOM 0 HG3 ARG A 72 -2.131 -7.009 5.501 1.00 41.35 H new ATOM 0 HD2 ARG A 72 -3.418 -8.231 7.137 1.00 53.25 H new ATOM 0 HD3 ARG A 72 -4.273 -6.746 6.770 1.00 53.25 H new ATOM 0 HE ARG A 72 -5.607 -8.286 5.104 1.00 10.32 H new ATOM 0 HH11 ARG A 72 -4.386 -9.256 8.292 1.00 14.41 H new ATOM 0 HH12 ARG A 72 -5.651 -10.467 8.523 1.00 14.41 H new ATOM 0 HH21 ARG A 72 -7.178 -9.871 5.423 1.00 11.32 H new ATOM 0 HH22 ARG A 72 -7.208 -10.809 6.920 1.00 11.32 H new ATOM 1167 N LYS A 73 -3.941 -8.250 1.106 1.00 14.11 N ATOM 1168 CA LYS A 73 -4.080 -9.536 0.402 1.00 64.51 C ATOM 1169 C LYS A 73 -3.052 -9.613 -0.737 1.00 44.01 C ATOM 1170 O LYS A 73 -2.657 -10.703 -1.156 1.00 41.43 O ATOM 1171 CB LYS A 73 -5.517 -9.692 -0.142 1.00 12.30 C ATOM 1172 CG LYS A 73 -5.816 -11.067 -0.783 1.00 0.14 C ATOM 1173 CD LYS A 73 -7.219 -11.147 -1.414 1.00 64.23 C ATOM 1174 CE LYS A 73 -8.349 -10.934 -0.397 1.00 33.33 C ATOM 1175 NZ LYS A 73 -9.681 -10.992 -1.043 1.00 71.00 N ATOM 0 H LYS A 73 -4.612 -7.542 0.808 1.00 14.11 H new ATOM 0 HA LYS A 73 -3.891 -10.353 1.098 1.00 64.51 H new ATOM 0 HB2 LYS A 73 -6.220 -9.525 0.674 1.00 12.30 H new ATOM 0 HB3 LYS A 73 -5.698 -8.913 -0.883 1.00 12.30 H new ATOM 0 HG2 LYS A 73 -5.068 -11.275 -1.548 1.00 0.14 H new ATOM 0 HG3 LYS A 73 -5.721 -11.844 -0.024 1.00 0.14 H new ATOM 0 HD2 LYS A 73 -7.300 -10.397 -2.201 1.00 64.23 H new ATOM 0 HD3 LYS A 73 -7.343 -12.121 -1.888 1.00 64.23 H new ATOM 0 HE2 LYS A 73 -8.288 -11.695 0.381 1.00 33.33 H new ATOM 0 HE3 LYS A 73 -8.222 -9.968 0.092 1.00 33.33 H new ATOM 0 HZ1 LYS A 73 -10.421 -10.844 -0.327 1.00 71.00 H new ATOM 0 HZ2 LYS A 73 -9.748 -10.250 -1.768 1.00 71.00 H new ATOM 0 HZ3 LYS A 73 -9.811 -11.923 -1.488 1.00 71.00 H new ATOM 1189 N ALA A 74 -2.628 -8.439 -1.236 1.00 52.31 N ATOM 1190 CA ALA A 74 -1.603 -8.338 -2.281 1.00 0.40 C ATOM 1191 C ALA A 74 -0.184 -8.340 -1.678 1.00 1.13 C ATOM 1192 O ALA A 74 0.775 -8.612 -2.397 1.00 21.13 O ATOM 1193 CB ALA A 74 -1.839 -7.078 -3.138 1.00 14.12 C ATOM 0 H ALA A 74 -2.988 -7.537 -0.925 1.00 52.31 H new ATOM 0 HA ALA A 74 -1.684 -9.215 -2.924 1.00 0.40 H new ATOM 0 HB1 ALA A 74 -1.072 -7.014 -3.910 1.00 14.12 H new ATOM 0 HB2 ALA A 74 -2.821 -7.135 -3.607 1.00 14.12 H new ATOM 0 HB3 ALA A 74 -1.790 -6.193 -2.504 1.00 14.12 H new ATOM 1199 N LEU A 75 -0.029 -8.017 -0.364 1.00 53.52 N ATOM 1200 CA LEU A 75 1.323 -7.934 0.264 1.00 31.52 C ATOM 1201 C LEU A 75 1.620 -9.090 1.245 1.00 73.52 C ATOM 1202 O LEU A 75 2.784 -9.498 1.337 1.00 20.11 O ATOM 1203 CB LEU A 75 1.584 -6.559 0.973 1.00 11.30 C ATOM 1204 CG LEU A 75 1.295 -5.231 0.176 1.00 43.02 C ATOM 1205 CD1 LEU A 75 1.823 -3.988 0.926 1.00 22.23 C ATOM 1206 CD2 LEU A 75 1.805 -5.252 -1.287 1.00 43.43 C ATOM 0 H LEU A 75 -0.803 -7.814 0.269 1.00 53.52 H new ATOM 0 HA LEU A 75 2.012 -8.025 -0.576 1.00 31.52 H new ATOM 0 HB2 LEU A 75 0.983 -6.536 1.882 1.00 11.30 H new ATOM 0 HB3 LEU A 75 2.629 -6.539 1.281 1.00 11.30 H new ATOM 0 HG LEU A 75 0.209 -5.165 0.116 1.00 43.02 H new ATOM 0 HD11 LEU A 75 1.605 -3.092 0.345 1.00 22.23 H new ATOM 0 HD12 LEU A 75 1.337 -3.916 1.899 1.00 22.23 H new ATOM 0 HD13 LEU A 75 2.901 -4.077 1.064 1.00 22.23 H new ATOM 0 HD21 LEU A 75 1.568 -4.303 -1.768 1.00 43.43 H new ATOM 0 HD22 LEU A 75 2.884 -5.403 -1.294 1.00 43.43 H new ATOM 0 HD23 LEU A 75 1.321 -6.065 -1.829 1.00 43.43 H new ATOM 1218 N THR A 76 0.600 -9.612 1.975 1.00 61.40 N ATOM 1219 CA THR A 76 0.817 -10.693 2.980 1.00 70.14 C ATOM 1220 C THR A 76 1.376 -12.013 2.361 1.00 61.35 C ATOM 1221 O THR A 76 2.330 -12.541 2.931 1.00 64.25 O ATOM 1222 CB THR A 76 -0.455 -10.979 3.864 1.00 25.20 C ATOM 1223 OG1 THR A 76 -0.741 -9.829 4.668 1.00 23.15 O ATOM 1224 CG2 THR A 76 -0.326 -12.225 4.783 1.00 72.21 C ATOM 0 H THR A 76 -0.370 -9.308 1.890 1.00 61.40 H new ATOM 0 HA THR A 76 1.590 -10.300 3.641 1.00 70.14 H new ATOM 0 HB THR A 76 -1.267 -11.194 3.169 1.00 25.20 H new ATOM 0 HG1 THR A 76 -1.428 -10.055 5.329 1.00 23.15 H new ATOM 0 HG21 THR A 76 -1.244 -12.350 5.357 1.00 72.21 H new ATOM 0 HG22 THR A 76 -0.156 -13.112 4.172 1.00 72.21 H new ATOM 0 HG23 THR A 76 0.513 -12.088 5.466 1.00 72.21 H new ATOM 1232 N PRO A 77 0.833 -12.585 1.206 1.00 1.34 N ATOM 1233 CA PRO A 77 1.422 -13.816 0.597 1.00 72.22 C ATOM 1234 C PRO A 77 2.890 -13.604 0.162 1.00 22.31 C ATOM 1235 O PRO A 77 3.728 -14.500 0.316 1.00 14.14 O ATOM 1236 CB PRO A 77 0.494 -14.121 -0.618 1.00 31.43 C ATOM 1237 CG PRO A 77 -0.778 -13.385 -0.335 1.00 25.14 C ATOM 1238 CD PRO A 77 -0.361 -12.141 0.421 1.00 64.12 C ATOM 0 HA PRO A 77 1.465 -14.644 1.304 1.00 72.22 H new ATOM 0 HB2 PRO A 77 0.944 -13.784 -1.552 1.00 31.43 H new ATOM 0 HB3 PRO A 77 0.316 -15.192 -0.718 1.00 31.43 H new ATOM 0 HG2 PRO A 77 -1.298 -13.128 -1.258 1.00 25.14 H new ATOM 0 HG3 PRO A 77 -1.461 -13.994 0.257 1.00 25.14 H new ATOM 0 HD2 PRO A 77 -0.113 -11.325 -0.257 1.00 64.12 H new ATOM 0 HD3 PRO A 77 -1.158 -11.783 1.073 1.00 64.12 H new ATOM 1246 N LEU A 78 3.189 -12.381 -0.339 1.00 31.42 N ATOM 1247 CA LEU A 78 4.561 -12.013 -0.782 1.00 24.44 C ATOM 1248 C LEU A 78 5.499 -11.816 0.425 1.00 52.12 C ATOM 1249 O LEU A 78 6.713 -12.017 0.312 1.00 0.51 O ATOM 1250 CB LEU A 78 4.590 -10.712 -1.666 1.00 4.15 C ATOM 1251 CG LEU A 78 3.565 -10.612 -2.865 1.00 61.24 C ATOM 1252 CD1 LEU A 78 3.714 -9.292 -3.673 1.00 61.25 C ATOM 1253 CD2 LEU A 78 3.635 -11.819 -3.833 1.00 51.52 C ATOM 0 H LEU A 78 2.503 -11.634 -0.447 1.00 31.42 H new ATOM 0 HA LEU A 78 4.908 -12.846 -1.393 1.00 24.44 H new ATOM 0 HB2 LEU A 78 4.422 -9.858 -1.010 1.00 4.15 H new ATOM 0 HB3 LEU A 78 5.595 -10.607 -2.075 1.00 4.15 H new ATOM 0 HG LEU A 78 2.586 -10.620 -2.386 1.00 61.24 H new ATOM 0 HD11 LEU A 78 2.985 -9.277 -4.484 1.00 61.25 H new ATOM 0 HD12 LEU A 78 3.541 -8.441 -3.014 1.00 61.25 H new ATOM 0 HD13 LEU A 78 4.720 -9.231 -4.088 1.00 61.25 H new ATOM 0 HD21 LEU A 78 2.906 -11.687 -4.632 1.00 51.52 H new ATOM 0 HD22 LEU A 78 4.635 -11.884 -4.261 1.00 51.52 H new ATOM 0 HD23 LEU A 78 3.413 -12.736 -3.288 1.00 51.52 H new ATOM 1265 N ALA A 79 4.915 -11.410 1.573 1.00 21.35 N ATOM 1266 CA ALA A 79 5.658 -11.188 2.825 1.00 52.32 C ATOM 1267 C ALA A 79 6.027 -12.537 3.456 1.00 35.24 C ATOM 1268 O ALA A 79 7.190 -12.768 3.794 1.00 32.52 O ATOM 1269 CB ALA A 79 4.835 -10.324 3.801 1.00 51.12 C ATOM 0 H ALA A 79 3.915 -11.228 1.654 1.00 21.35 H new ATOM 0 HA ALA A 79 6.577 -10.647 2.601 1.00 52.32 H new ATOM 0 HB1 ALA A 79 5.402 -10.172 4.719 1.00 51.12 H new ATOM 0 HB2 ALA A 79 4.622 -9.359 3.342 1.00 51.12 H new ATOM 0 HB3 ALA A 79 3.898 -10.830 4.033 1.00 51.12 H new ATOM 1275 N ILE A 80 5.026 -13.443 3.541 1.00 3.14 N ATOM 1276 CA ILE A 80 5.208 -14.818 4.061 1.00 30.31 C ATOM 1277 C ILE A 80 6.231 -15.587 3.189 1.00 31.33 C ATOM 1278 O ILE A 80 7.047 -16.363 3.708 1.00 30.23 O ATOM 1279 CB ILE A 80 3.833 -15.610 4.134 1.00 44.54 C ATOM 1280 CG1 ILE A 80 2.799 -14.883 5.068 1.00 4.25 C ATOM 1281 CG2 ILE A 80 4.034 -17.090 4.580 1.00 54.01 C ATOM 1282 CD1 ILE A 80 1.422 -15.544 5.133 1.00 31.41 C ATOM 0 H ILE A 80 4.069 -13.241 3.251 1.00 3.14 H new ATOM 0 HA ILE A 80 5.592 -14.740 5.078 1.00 30.31 H new ATOM 0 HB ILE A 80 3.425 -15.624 3.123 1.00 44.54 H new ATOM 0 HG12 ILE A 80 3.212 -14.835 6.076 1.00 4.25 H new ATOM 0 HG13 ILE A 80 2.678 -13.856 4.723 1.00 4.25 H new ATOM 0 HG21 ILE A 80 3.068 -17.594 4.616 1.00 54.01 H new ATOM 0 HG22 ILE A 80 4.682 -17.600 3.868 1.00 54.01 H new ATOM 0 HG23 ILE A 80 4.492 -17.113 5.569 1.00 54.01 H new ATOM 0 HD11 ILE A 80 0.776 -14.974 5.801 1.00 31.41 H new ATOM 0 HD12 ILE A 80 0.983 -15.568 4.136 1.00 31.41 H new ATOM 0 HD13 ILE A 80 1.524 -16.562 5.509 1.00 31.41 H new ATOM 1294 N ASN A 81 6.201 -15.331 1.869 1.00 33.30 N ATOM 1295 CA ASN A 81 7.166 -15.925 0.918 1.00 34.24 C ATOM 1296 C ASN A 81 8.525 -15.180 0.956 1.00 22.34 C ATOM 1297 O ASN A 81 9.549 -15.747 0.557 1.00 0.31 O ATOM 1298 CB ASN A 81 6.559 -15.959 -0.514 1.00 63.11 C ATOM 1299 CG ASN A 81 7.407 -16.735 -1.533 1.00 45.40 C ATOM 1300 OD1 ASN A 81 8.185 -17.625 -1.184 1.00 22.41 O ATOM 1301 ND2 ASN A 81 7.207 -16.458 -2.804 1.00 61.31 N ATOM 0 H ASN A 81 5.516 -14.714 1.432 1.00 33.30 H new ATOM 0 HA ASN A 81 7.364 -16.953 1.221 1.00 34.24 H new ATOM 0 HB2 ASN A 81 5.566 -16.407 -0.466 1.00 63.11 H new ATOM 0 HB3 ASN A 81 6.430 -14.936 -0.868 1.00 63.11 H new ATOM 0 HD21 ASN A 81 7.701 -16.985 -3.525 1.00 61.31 H new ATOM 0 HD22 ASN A 81 6.558 -15.717 -3.068 1.00 61.31 H new ATOM 1308 N ARG A 82 8.528 -13.927 1.479 1.00 0.12 N ATOM 1309 CA ARG A 82 9.745 -13.090 1.615 1.00 12.12 C ATOM 1310 C ARG A 82 10.384 -12.770 0.241 1.00 74.51 C ATOM 1311 O ARG A 82 11.523 -13.154 -0.031 1.00 64.14 O ATOM 1312 CB ARG A 82 10.802 -13.697 2.616 1.00 61.42 C ATOM 1313 CG ARG A 82 10.402 -13.711 4.117 1.00 54.13 C ATOM 1314 CD ARG A 82 11.517 -14.282 5.030 1.00 10.12 C ATOM 1315 NE ARG A 82 11.153 -14.215 6.459 1.00 61.22 N ATOM 1316 CZ ARG A 82 12.014 -13.995 7.472 1.00 65.22 C ATOM 1317 NH1 ARG A 82 13.316 -13.832 7.245 1.00 1.15 N ATOM 1318 NH2 ARG A 82 11.562 -13.956 8.713 1.00 14.53 N ATOM 0 H ARG A 82 7.683 -13.469 1.819 1.00 0.12 H new ATOM 0 HA ARG A 82 9.412 -12.148 2.052 1.00 12.12 H new ATOM 0 HB2 ARG A 82 11.014 -14.721 2.309 1.00 61.42 H new ATOM 0 HB3 ARG A 82 11.730 -13.135 2.515 1.00 61.42 H new ATOM 0 HG2 ARG A 82 10.163 -12.696 4.434 1.00 54.13 H new ATOM 0 HG3 ARG A 82 9.497 -14.305 4.242 1.00 54.13 H new ATOM 0 HD2 ARG A 82 11.715 -15.318 4.755 1.00 10.12 H new ATOM 0 HD3 ARG A 82 12.440 -13.726 4.865 1.00 10.12 H new ATOM 0 HE ARG A 82 10.170 -14.346 6.699 1.00 61.22 H new ATOM 0 HH11 ARG A 82 13.677 -13.873 6.292 1.00 1.15 H new ATOM 0 HH12 ARG A 82 13.953 -13.666 8.024 1.00 1.15 H new ATOM 0 HH21 ARG A 82 10.568 -14.092 8.898 1.00 14.53 H new ATOM 0 HH22 ARG A 82 12.207 -13.790 9.486 1.00 14.53 H new ATOM 1332 N THR A 83 9.623 -12.094 -0.631 1.00 4.54 N ATOM 1333 CA THR A 83 10.129 -11.609 -1.940 1.00 13.02 C ATOM 1334 C THR A 83 9.883 -10.092 -2.089 1.00 2.12 C ATOM 1335 O THR A 83 10.413 -9.462 -3.009 1.00 0.41 O ATOM 1336 CB THR A 83 9.484 -12.395 -3.146 1.00 2.13 C ATOM 1337 OG1 THR A 83 10.326 -12.300 -4.302 1.00 22.31 O ATOM 1338 CG2 THR A 83 8.079 -11.882 -3.517 1.00 61.32 C ATOM 0 H THR A 83 8.644 -11.865 -0.458 1.00 4.54 H new ATOM 0 HA THR A 83 11.203 -11.795 -1.964 1.00 13.02 H new ATOM 0 HB THR A 83 9.386 -13.430 -2.820 1.00 2.13 H new ATOM 0 HG1 THR A 83 10.714 -11.401 -4.351 1.00 22.31 H new ATOM 0 HG21 THR A 83 7.689 -12.462 -4.353 1.00 61.32 H new ATOM 0 HG22 THR A 83 7.415 -11.989 -2.660 1.00 61.32 H new ATOM 0 HG23 THR A 83 8.139 -10.831 -3.801 1.00 61.32 H new ATOM 1346 N LEU A 84 9.095 -9.510 -1.165 1.00 32.20 N ATOM 1347 CA LEU A 84 8.721 -8.085 -1.189 1.00 35.22 C ATOM 1348 C LEU A 84 9.881 -7.268 -0.600 1.00 11.34 C ATOM 1349 O LEU A 84 10.402 -7.623 0.458 1.00 5.20 O ATOM 1350 CB LEU A 84 7.367 -7.911 -0.423 1.00 71.40 C ATOM 1351 CG LEU A 84 6.793 -6.446 -0.247 1.00 12.11 C ATOM 1352 CD1 LEU A 84 5.252 -6.440 -0.250 1.00 52.42 C ATOM 1353 CD2 LEU A 84 7.295 -5.784 1.061 1.00 54.41 C ATOM 0 H LEU A 84 8.698 -10.020 -0.376 1.00 32.20 H new ATOM 0 HA LEU A 84 8.557 -7.716 -2.201 1.00 35.22 H new ATOM 0 HB2 LEU A 84 6.613 -8.505 -0.940 1.00 71.40 H new ATOM 0 HB3 LEU A 84 7.488 -8.343 0.570 1.00 71.40 H new ATOM 0 HG LEU A 84 7.158 -5.871 -1.098 1.00 12.11 H new ATOM 0 HD11 LEU A 84 4.892 -5.419 -0.127 1.00 52.42 H new ATOM 0 HD12 LEU A 84 4.888 -6.842 -1.196 1.00 52.42 H new ATOM 0 HD13 LEU A 84 4.884 -7.056 0.571 1.00 52.42 H new ATOM 0 HD21 LEU A 84 6.878 -4.780 1.144 1.00 54.41 H new ATOM 0 HD22 LEU A 84 6.977 -6.381 1.916 1.00 54.41 H new ATOM 0 HD23 LEU A 84 8.383 -5.725 1.044 1.00 54.41 H new ATOM 1365 N ASN A 85 10.256 -6.173 -1.297 1.00 50.33 N ATOM 1366 CA ASN A 85 11.524 -5.389 -1.026 1.00 75.41 C ATOM 1367 C ASN A 85 11.672 -5.001 0.471 1.00 24.20 C ATOM 1368 O ASN A 85 12.797 -4.915 0.983 1.00 34.53 O ATOM 1369 CB ASN A 85 11.621 -4.099 -1.902 1.00 44.51 C ATOM 1370 CG ASN A 85 12.923 -3.294 -1.727 1.00 13.50 C ATOM 1371 OD1 ASN A 85 13.986 -3.846 -1.456 1.00 52.11 O ATOM 1372 ND2 ASN A 85 12.855 -1.986 -1.913 1.00 24.14 N ATOM 0 H ASN A 85 9.703 -5.793 -2.065 1.00 50.33 H new ATOM 0 HA ASN A 85 12.340 -6.059 -1.295 1.00 75.41 H new ATOM 0 HB2 ASN A 85 11.523 -4.381 -2.950 1.00 44.51 H new ATOM 0 HB3 ASN A 85 10.776 -3.452 -1.666 1.00 44.51 H new ATOM 0 HD21 ASN A 85 13.696 -1.415 -1.832 1.00 24.14 H new ATOM 0 HD22 ASN A 85 11.961 -1.549 -2.137 1.00 24.14 H new ATOM 1379 N HIS A 86 10.517 -4.717 1.133 1.00 33.33 N ATOM 1380 CA HIS A 86 10.392 -4.563 2.608 1.00 4.45 C ATOM 1381 C HIS A 86 10.955 -3.208 3.104 1.00 3.42 C ATOM 1382 O HIS A 86 10.890 -2.912 4.294 1.00 64.24 O ATOM 1383 CB HIS A 86 11.028 -5.800 3.338 1.00 33.31 C ATOM 1384 CG HIS A 86 10.751 -5.931 4.818 1.00 1.14 C ATOM 1385 ND1 HIS A 86 9.610 -6.529 5.315 1.00 64.52 N ATOM 1386 CD2 HIS A 86 11.485 -5.592 5.901 1.00 21.33 C ATOM 1387 CE1 HIS A 86 9.664 -6.555 6.628 1.00 34.23 C ATOM 1388 NE2 HIS A 86 10.790 -5.991 7.010 1.00 75.14 N ATOM 0 H HIS A 86 9.630 -4.586 0.646 1.00 33.33 H new ATOM 0 HA HIS A 86 9.333 -4.543 2.864 1.00 4.45 H new ATOM 0 HB2 HIS A 86 10.675 -6.705 2.844 1.00 33.31 H new ATOM 0 HB3 HIS A 86 12.108 -5.761 3.196 1.00 33.31 H new ATOM 0 HD2 HIS A 86 12.445 -5.097 5.893 1.00 21.33 H new ATOM 0 HE1 HIS A 86 8.912 -6.969 7.283 1.00 34.23 H new ATOM 0 HE2 HIS A 86 11.095 -5.871 7.976 1.00 75.14 H new ATOM 1397 N ASP A 87 11.446 -2.363 2.173 1.00 14.32 N ATOM 1398 CA ASP A 87 11.995 -1.019 2.503 1.00 3.35 C ATOM 1399 C ASP A 87 10.851 -0.012 2.873 1.00 5.03 C ATOM 1400 O ASP A 87 11.112 1.102 3.347 1.00 41.22 O ATOM 1401 CB ASP A 87 12.941 -0.505 1.341 1.00 40.44 C ATOM 1402 CG ASP A 87 13.595 0.867 1.612 1.00 32.03 C ATOM 1403 OD1 ASP A 87 14.313 1.003 2.632 1.00 22.43 O ATOM 1404 OD2 ASP A 87 13.390 1.816 0.824 1.00 31.40 O ATOM 0 H ASP A 87 11.476 -2.585 1.178 1.00 14.32 H new ATOM 0 HA ASP A 87 12.616 -1.098 3.395 1.00 3.35 H new ATOM 0 HB2 ASP A 87 13.727 -1.242 1.176 1.00 40.44 H new ATOM 0 HB3 ASP A 87 12.363 -0.443 0.419 1.00 40.44 H new ATOM 1409 N LEU A 88 9.569 -0.439 2.702 1.00 33.41 N ATOM 1410 CA LEU A 88 8.379 0.287 3.203 1.00 15.41 C ATOM 1411 C LEU A 88 7.524 -0.668 4.060 1.00 63.25 C ATOM 1412 O LEU A 88 6.285 -0.643 4.004 1.00 14.12 O ATOM 1413 CB LEU A 88 7.533 0.965 2.069 1.00 54.24 C ATOM 1414 CG LEU A 88 7.222 0.107 0.781 1.00 0.12 C ATOM 1415 CD1 LEU A 88 5.851 0.483 0.173 1.00 22.53 C ATOM 1416 CD2 LEU A 88 8.345 0.278 -0.271 1.00 73.43 C ATOM 0 H LEU A 88 9.337 -1.301 2.210 1.00 33.41 H new ATOM 0 HA LEU A 88 8.733 1.113 3.819 1.00 15.41 H new ATOM 0 HB2 LEU A 88 6.583 1.280 2.501 1.00 54.24 H new ATOM 0 HB3 LEU A 88 8.055 1.868 1.754 1.00 54.24 H new ATOM 0 HG LEU A 88 7.180 -0.940 1.081 1.00 0.12 H new ATOM 0 HD11 LEU A 88 5.666 -0.125 -0.712 1.00 22.53 H new ATOM 0 HD12 LEU A 88 5.066 0.303 0.907 1.00 22.53 H new ATOM 0 HD13 LEU A 88 5.853 1.537 -0.105 1.00 22.53 H new ATOM 0 HD21 LEU A 88 8.113 -0.321 -1.152 1.00 73.43 H new ATOM 0 HD22 LEU A 88 8.420 1.328 -0.556 1.00 73.43 H new ATOM 0 HD23 LEU A 88 9.294 -0.052 0.153 1.00 73.43 H new ATOM 1428 N SER A 89 8.221 -1.500 4.867 1.00 43.40 N ATOM 1429 CA SER A 89 7.600 -2.381 5.875 1.00 14.34 C ATOM 1430 C SER A 89 6.663 -1.600 6.821 1.00 63.12 C ATOM 1431 O SER A 89 5.678 -2.153 7.325 1.00 61.30 O ATOM 1432 CB SER A 89 8.705 -3.083 6.691 1.00 61.52 C ATOM 1433 OG SER A 89 8.162 -3.910 7.711 1.00 35.20 O ATOM 0 H SER A 89 9.238 -1.577 4.835 1.00 43.40 H new ATOM 0 HA SER A 89 6.995 -3.121 5.351 1.00 14.34 H new ATOM 0 HB2 SER A 89 9.322 -3.686 6.024 1.00 61.52 H new ATOM 0 HB3 SER A 89 9.358 -2.334 7.139 1.00 61.52 H new ATOM 0 HG SER A 89 8.890 -4.340 8.206 1.00 35.20 H new ATOM 1439 N GLU A 90 6.994 -0.309 7.035 1.00 41.23 N ATOM 1440 CA GLU A 90 6.217 0.632 7.849 1.00 62.41 C ATOM 1441 C GLU A 90 4.779 0.814 7.321 1.00 4.31 C ATOM 1442 O GLU A 90 3.857 0.979 8.116 1.00 24.14 O ATOM 1443 CB GLU A 90 6.956 2.003 7.909 1.00 40.10 C ATOM 1444 CG GLU A 90 8.105 2.071 8.932 1.00 71.34 C ATOM 1445 CD GLU A 90 7.599 1.865 10.369 1.00 24.41 C ATOM 1446 OE1 GLU A 90 6.833 2.726 10.859 1.00 13.31 O ATOM 1447 OE2 GLU A 90 7.932 0.840 11.005 1.00 2.43 O ATOM 0 H GLU A 90 7.832 0.112 6.633 1.00 41.23 H new ATOM 0 HA GLU A 90 6.133 0.216 8.853 1.00 62.41 H new ATOM 0 HB2 GLU A 90 7.355 2.229 6.920 1.00 40.10 H new ATOM 0 HB3 GLU A 90 6.230 2.781 8.146 1.00 40.10 H new ATOM 0 HG2 GLU A 90 8.849 1.310 8.695 1.00 71.34 H new ATOM 0 HG3 GLU A 90 8.603 3.038 8.856 1.00 71.34 H new ATOM 1454 N LEU A 91 4.596 0.781 5.986 1.00 33.33 N ATOM 1455 CA LEU A 91 3.262 0.932 5.353 1.00 55.24 C ATOM 1456 C LEU A 91 2.367 -0.283 5.683 1.00 32.24 C ATOM 1457 O LEU A 91 1.175 -0.132 6.027 1.00 22.11 O ATOM 1458 CB LEU A 91 3.404 1.107 3.816 1.00 71.21 C ATOM 1459 CG LEU A 91 2.078 1.407 3.043 1.00 11.12 C ATOM 1460 CD1 LEU A 91 1.462 2.745 3.497 1.00 55.53 C ATOM 1461 CD2 LEU A 91 2.303 1.374 1.518 1.00 32.31 C ATOM 0 H LEU A 91 5.357 0.651 5.319 1.00 33.33 H new ATOM 0 HA LEU A 91 2.788 1.827 5.756 1.00 55.24 H new ATOM 0 HB2 LEU A 91 4.106 1.918 3.624 1.00 71.21 H new ATOM 0 HB3 LEU A 91 3.846 0.199 3.405 1.00 71.21 H new ATOM 0 HG LEU A 91 1.364 0.620 3.284 1.00 11.12 H new ATOM 0 HD11 LEU A 91 0.541 2.928 2.943 1.00 55.53 H new ATOM 0 HD12 LEU A 91 1.241 2.701 4.563 1.00 55.53 H new ATOM 0 HD13 LEU A 91 2.167 3.554 3.306 1.00 55.53 H new ATOM 0 HD21 LEU A 91 1.364 1.586 1.007 1.00 32.31 H new ATOM 0 HD22 LEU A 91 3.043 2.125 1.243 1.00 32.31 H new ATOM 0 HD23 LEU A 91 2.661 0.387 1.224 1.00 32.31 H new ATOM 1473 N TYR A 92 2.975 -1.493 5.611 1.00 23.11 N ATOM 1474 CA TYR A 92 2.295 -2.753 5.964 1.00 54.10 C ATOM 1475 C TYR A 92 1.937 -2.759 7.470 1.00 42.32 C ATOM 1476 O TYR A 92 0.845 -3.184 7.859 1.00 31.21 O ATOM 1477 CB TYR A 92 3.173 -3.982 5.593 1.00 13.32 C ATOM 1478 CG TYR A 92 2.545 -5.349 5.952 1.00 53.43 C ATOM 1479 CD1 TYR A 92 1.275 -5.713 5.477 1.00 55.51 C ATOM 1480 CD2 TYR A 92 3.224 -6.273 6.751 1.00 34.45 C ATOM 1481 CE1 TYR A 92 0.719 -6.939 5.786 1.00 35.41 C ATOM 1482 CE2 TYR A 92 2.667 -7.499 7.064 1.00 25.05 C ATOM 1483 CZ TYR A 92 1.417 -7.828 6.580 1.00 12.41 C ATOM 1484 OH TYR A 92 0.860 -9.056 6.885 1.00 3.42 O ATOM 0 H TYR A 92 3.941 -1.617 5.309 1.00 23.11 H new ATOM 0 HA TYR A 92 1.372 -2.823 5.389 1.00 54.10 H new ATOM 0 HB2 TYR A 92 3.375 -3.959 4.522 1.00 13.32 H new ATOM 0 HB3 TYR A 92 4.134 -3.893 6.100 1.00 13.32 H new ATOM 0 HD1 TYR A 92 0.722 -5.021 4.858 1.00 55.51 H new ATOM 0 HD2 TYR A 92 4.204 -6.024 7.132 1.00 34.45 H new ATOM 0 HE1 TYR A 92 -0.258 -7.202 5.408 1.00 35.41 H new ATOM 0 HE2 TYR A 92 3.208 -8.197 7.685 1.00 25.05 H new ATOM 0 HH TYR A 92 0.285 -9.347 6.146 1.00 3.42 H new ATOM 1494 N LYS A 93 2.866 -2.227 8.289 1.00 32.31 N ATOM 1495 CA LYS A 93 2.713 -2.099 9.750 1.00 11.44 C ATOM 1496 C LYS A 93 1.678 -1.006 10.109 1.00 63.10 C ATOM 1497 O LYS A 93 1.007 -1.079 11.148 1.00 5.12 O ATOM 1498 CB LYS A 93 4.104 -1.799 10.381 1.00 40.00 C ATOM 1499 CG LYS A 93 4.094 -1.617 11.916 1.00 21.13 C ATOM 1500 CD LYS A 93 5.510 -1.537 12.521 1.00 14.11 C ATOM 1501 CE LYS A 93 5.507 -1.319 14.049 1.00 31.25 C ATOM 1502 NZ LYS A 93 4.997 0.027 14.419 1.00 12.01 N ATOM 0 H LYS A 93 3.758 -1.869 7.947 1.00 32.31 H new ATOM 0 HA LYS A 93 2.334 -3.036 10.158 1.00 11.44 H new ATOM 0 HB2 LYS A 93 4.784 -2.613 10.130 1.00 40.00 H new ATOM 0 HB3 LYS A 93 4.507 -0.895 9.925 1.00 40.00 H new ATOM 0 HG2 LYS A 93 3.546 -0.708 12.165 1.00 21.13 H new ATOM 0 HG3 LYS A 93 3.556 -2.448 12.372 1.00 21.13 H new ATOM 0 HD2 LYS A 93 6.048 -2.457 12.293 1.00 14.11 H new ATOM 0 HD3 LYS A 93 6.056 -0.722 12.045 1.00 14.11 H new ATOM 0 HE2 LYS A 93 4.891 -2.083 14.523 1.00 31.25 H new ATOM 0 HE3 LYS A 93 6.519 -1.442 14.435 1.00 31.25 H new ATOM 0 HZ1 LYS A 93 5.060 0.151 15.450 1.00 12.01 H new ATOM 0 HZ2 LYS A 93 5.569 0.757 13.947 1.00 12.01 H new ATOM 0 HZ3 LYS A 93 4.005 0.117 14.119 1.00 12.01 H new ATOM 1516 N PHE A 94 1.532 -0.027 9.200 1.00 1.03 N ATOM 1517 CA PHE A 94 0.626 1.116 9.369 1.00 51.14 C ATOM 1518 C PHE A 94 -0.835 0.656 9.248 1.00 44.44 C ATOM 1519 O PHE A 94 -1.643 0.938 10.136 1.00 14.21 O ATOM 1520 CB PHE A 94 0.959 2.209 8.318 1.00 0.13 C ATOM 1521 CG PHE A 94 0.143 3.503 8.413 1.00 0.30 C ATOM 1522 CD1 PHE A 94 0.478 4.482 9.351 1.00 54.32 C ATOM 1523 CD2 PHE A 94 -0.928 3.757 7.546 1.00 74.41 C ATOM 1524 CE1 PHE A 94 -0.225 5.671 9.417 1.00 13.43 C ATOM 1525 CE2 PHE A 94 -1.632 4.945 7.624 1.00 22.21 C ATOM 1526 CZ PHE A 94 -1.278 5.899 8.556 1.00 52.43 C ATOM 0 H PHE A 94 2.046 -0.009 8.319 1.00 1.03 H new ATOM 0 HA PHE A 94 0.762 1.543 10.363 1.00 51.14 H new ATOM 0 HB2 PHE A 94 2.015 2.462 8.408 1.00 0.13 H new ATOM 0 HB3 PHE A 94 0.816 1.785 7.324 1.00 0.13 H new ATOM 0 HD1 PHE A 94 1.297 4.308 10.034 1.00 54.32 H new ATOM 0 HD2 PHE A 94 -1.207 3.018 6.810 1.00 74.41 H new ATOM 0 HE1 PHE A 94 0.051 6.421 10.143 1.00 13.43 H new ATOM 0 HE2 PHE A 94 -2.460 5.126 6.955 1.00 22.21 H new ATOM 0 HZ PHE A 94 -1.827 6.827 8.611 1.00 52.43 H new ATOM 1536 N ILE A 95 -1.170 -0.085 8.160 1.00 22.32 N ATOM 1537 CA ILE A 95 -2.572 -0.522 7.925 1.00 62.22 C ATOM 1538 C ILE A 95 -2.965 -1.708 8.848 1.00 64.24 C ATOM 1539 O ILE A 95 -4.139 -2.091 8.887 1.00 14.41 O ATOM 1540 CB ILE A 95 -2.894 -0.834 6.400 1.00 75.04 C ATOM 1541 CG1 ILE A 95 -2.438 -2.278 5.960 1.00 22.33 C ATOM 1542 CG2 ILE A 95 -2.325 0.283 5.474 1.00 41.54 C ATOM 1543 CD1 ILE A 95 -2.558 -2.565 4.469 1.00 73.44 C ATOM 0 H ILE A 95 -0.506 -0.387 7.447 1.00 22.32 H new ATOM 0 HA ILE A 95 -3.196 0.331 8.190 1.00 62.22 H new ATOM 0 HB ILE A 95 -3.979 -0.831 6.291 1.00 75.04 H new ATOM 0 HG12 ILE A 95 -1.400 -2.422 6.260 1.00 22.33 H new ATOM 0 HG13 ILE A 95 -3.032 -3.012 6.505 1.00 22.33 H new ATOM 0 HG21 ILE A 95 -2.557 0.048 4.435 1.00 41.54 H new ATOM 0 HG22 ILE A 95 -2.775 1.240 5.739 1.00 41.54 H new ATOM 0 HG23 ILE A 95 -1.244 0.344 5.599 1.00 41.54 H new ATOM 0 HD11 ILE A 95 -2.221 -3.581 4.266 1.00 73.44 H new ATOM 0 HD12 ILE A 95 -3.598 -2.459 4.161 1.00 73.44 H new ATOM 0 HD13 ILE A 95 -1.941 -1.860 3.912 1.00 73.44 H new ATOM 1555 N THR A 96 -1.984 -2.258 9.613 1.00 41.32 N ATOM 1556 CA THR A 96 -2.241 -3.300 10.635 1.00 51.12 C ATOM 1557 C THR A 96 -2.313 -2.668 12.036 1.00 63.41 C ATOM 1558 O THR A 96 -2.395 -3.379 13.052 1.00 41.03 O ATOM 1559 CB THR A 96 -1.159 -4.431 10.613 1.00 3.23 C ATOM 1560 OG1 THR A 96 0.148 -3.866 10.713 1.00 65.13 O ATOM 1561 CG2 THR A 96 -1.247 -5.289 9.342 1.00 45.45 C ATOM 0 H THR A 96 -1.002 -1.992 9.537 1.00 41.32 H new ATOM 0 HA THR A 96 -3.200 -3.759 10.393 1.00 51.12 H new ATOM 0 HB THR A 96 -1.352 -5.076 11.470 1.00 3.23 H new ATOM 0 HG1 THR A 96 0.079 -2.927 10.984 1.00 65.13 H new ATOM 0 HG21 THR A 96 -0.478 -6.061 9.370 1.00 45.45 H new ATOM 0 HG22 THR A 96 -2.229 -5.758 9.287 1.00 45.45 H new ATOM 0 HG23 THR A 96 -1.096 -4.658 8.466 1.00 45.45 H new