USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 THR OG1 : rot 104:sc= 1.12 USER MOD Set 1.2: A 92 TYR OH : rot 10:sc= 0.798 USER MOD Set 2.1: A 45 GLN : amide:sc= 0.041 K(o=0.19,f=-1.4) USER MOD Set 2.2: A 49 ASN : amide:sc= 0.148 K(o=0.19,f=-1.2!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 33 SER OG : rot 87:sc= 1 USER MOD Single : A 34 MET CE :methyl 134:sc= -0.371 (180deg=-1.18) USER MOD Single : A 37 THR OG1 : rot 71:sc= 0.945 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.123 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.157 K(o=0.16,f=-0.57) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.375 X(o=-0.37,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc=-0.00879 K(o=-0.0088,f=-1.2) USER MOD Single : A 83 THR OG1 : rot -38:sc= 0.247 USER MOD Single : A 85 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.75) USER MOD Single : A 86 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.32) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0534) USER MOD Single : A 96 THR OG1 : rot -87:sc= 0.48 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -5.877 9.584 7.043 1.00 41.22 N ATOM 437 CA GLU A 28 -5.858 9.450 5.589 1.00 52.23 C ATOM 438 C GLU A 28 -4.659 10.223 5.010 1.00 24.04 C ATOM 439 O GLU A 28 -3.972 9.722 4.130 1.00 32.15 O ATOM 440 CB GLU A 28 -7.187 9.917 4.960 1.00 72.52 C ATOM 441 CG GLU A 28 -7.232 9.751 3.436 1.00 13.10 C ATOM 442 CD GLU A 28 -8.589 10.100 2.838 1.00 2.13 C ATOM 443 OE1 GLU A 28 -8.792 11.276 2.462 1.00 45.40 O ATOM 444 OE2 GLU A 28 -9.461 9.203 2.733 1.00 5.21 O ATOM 0 HA GLU A 28 -5.745 8.395 5.340 1.00 52.23 H new ATOM 0 HB2 GLU A 28 -8.008 9.354 5.404 1.00 72.52 H new ATOM 0 HB3 GLU A 28 -7.349 10.966 5.209 1.00 72.52 H new ATOM 0 HG2 GLU A 28 -6.469 10.385 2.985 1.00 13.10 H new ATOM 0 HG3 GLU A 28 -6.983 8.721 3.181 1.00 13.10 H new ATOM 451 N ASN A 29 -4.377 11.417 5.579 1.00 45.53 N ATOM 452 CA ASN A 29 -3.205 12.234 5.188 1.00 24.40 C ATOM 453 C ASN A 29 -1.917 11.470 5.498 1.00 52.11 C ATOM 454 O ASN A 29 -1.027 11.378 4.652 1.00 51.31 O ATOM 455 CB ASN A 29 -3.183 13.624 5.898 1.00 42.25 C ATOM 456 CG ASN A 29 -1.937 14.465 5.556 1.00 5.14 C ATOM 457 OD1 ASN A 29 -1.400 14.399 4.446 1.00 22.15 O ATOM 458 ND2 ASN A 29 -1.477 15.261 6.501 1.00 71.12 N ATOM 0 H ASN A 29 -4.947 11.837 6.313 1.00 45.53 H new ATOM 0 HA ASN A 29 -3.281 12.421 4.117 1.00 24.40 H new ATOM 0 HB2 ASN A 29 -4.077 14.181 5.618 1.00 42.25 H new ATOM 0 HB3 ASN A 29 -3.226 13.474 6.977 1.00 42.25 H new ATOM 0 HD21 ASN A 29 -0.658 15.842 6.324 1.00 71.12 H new ATOM 0 HD22 ASN A 29 -1.940 15.296 7.409 1.00 71.12 H new ATOM 465 N GLU A 30 -1.882 10.862 6.691 1.00 54.40 N ATOM 466 CA GLU A 30 -0.702 10.157 7.203 1.00 32.32 C ATOM 467 C GLU A 30 -0.375 8.966 6.285 1.00 31.23 C ATOM 468 O GLU A 30 0.747 8.830 5.817 1.00 52.54 O ATOM 469 CB GLU A 30 -0.945 9.707 8.676 1.00 33.23 C ATOM 470 CG GLU A 30 0.274 9.087 9.385 1.00 53.31 C ATOM 471 CD GLU A 30 1.458 10.056 9.529 1.00 73.14 C ATOM 472 OE1 GLU A 30 1.453 10.889 10.457 1.00 24.10 O ATOM 473 OE2 GLU A 30 2.395 9.990 8.716 1.00 33.01 O ATOM 0 H GLU A 30 -2.676 10.846 7.331 1.00 54.40 H new ATOM 0 HA GLU A 30 0.158 10.826 7.204 1.00 32.32 H new ATOM 0 HB2 GLU A 30 -1.279 10.570 9.252 1.00 33.23 H new ATOM 0 HB3 GLU A 30 -1.759 8.982 8.687 1.00 33.23 H new ATOM 0 HG2 GLU A 30 -0.027 8.744 10.375 1.00 53.31 H new ATOM 0 HG3 GLU A 30 0.600 8.208 8.829 1.00 53.31 H new ATOM 480 N LEU A 31 -1.416 8.197 5.943 1.00 11.14 N ATOM 481 CA LEU A 31 -1.277 6.951 5.124 1.00 74.10 C ATOM 482 C LEU A 31 -0.980 7.285 3.648 1.00 11.51 C ATOM 483 O LEU A 31 -0.133 6.632 3.021 1.00 71.24 O ATOM 484 CB LEU A 31 -2.539 6.008 5.261 1.00 11.35 C ATOM 485 CG LEU A 31 -2.516 4.627 4.454 1.00 60.14 C ATOM 486 CD1 LEU A 31 -3.315 3.497 5.165 1.00 20.14 C ATOM 487 CD2 LEU A 31 -3.046 4.768 2.991 1.00 74.14 C ATOM 0 H LEU A 31 -2.377 8.404 6.215 1.00 11.14 H new ATOM 0 HA LEU A 31 -0.424 6.399 5.519 1.00 74.10 H new ATOM 0 HB2 LEU A 31 -2.675 5.778 6.318 1.00 11.35 H new ATOM 0 HB3 LEU A 31 -3.416 6.570 4.941 1.00 11.35 H new ATOM 0 HG LEU A 31 -1.462 4.351 4.424 1.00 60.14 H new ATOM 0 HD11 LEU A 31 -3.263 2.585 4.570 1.00 20.14 H new ATOM 0 HD12 LEU A 31 -2.886 3.313 6.150 1.00 20.14 H new ATOM 0 HD13 LEU A 31 -4.356 3.801 5.273 1.00 20.14 H new ATOM 0 HD21 LEU A 31 -3.006 3.798 2.494 1.00 74.14 H new ATOM 0 HD22 LEU A 31 -4.076 5.124 3.010 1.00 74.14 H new ATOM 0 HD23 LEU A 31 -2.426 5.480 2.447 1.00 74.14 H new ATOM 499 N ARG A 32 -1.645 8.326 3.104 1.00 73.54 N ATOM 500 CA ARG A 32 -1.608 8.597 1.645 1.00 5.42 C ATOM 501 C ARG A 32 -0.306 9.311 1.259 1.00 40.33 C ATOM 502 O ARG A 32 0.194 9.140 0.137 1.00 32.41 O ATOM 503 CB ARG A 32 -2.854 9.387 1.131 1.00 64.14 C ATOM 504 CG ARG A 32 -4.217 8.617 1.213 1.00 24.53 C ATOM 505 CD ARG A 32 -5.215 9.055 0.126 1.00 74.22 C ATOM 506 NE ARG A 32 -4.748 8.666 -1.211 1.00 60.14 N ATOM 507 CZ ARG A 32 -5.261 9.072 -2.382 1.00 31.05 C ATOM 508 NH1 ARG A 32 -6.287 9.928 -2.447 1.00 60.31 N ATOM 509 NH2 ARG A 32 -4.753 8.592 -3.504 1.00 75.32 N ATOM 0 H ARG A 32 -2.207 8.986 3.641 1.00 73.54 H new ATOM 0 HA ARG A 32 -1.640 7.627 1.150 1.00 5.42 H new ATOM 0 HB2 ARG A 32 -2.941 10.309 1.706 1.00 64.14 H new ATOM 0 HB3 ARG A 32 -2.679 9.673 0.094 1.00 64.14 H new ATOM 0 HG2 ARG A 32 -4.031 7.547 1.119 1.00 24.53 H new ATOM 0 HG3 ARG A 32 -4.662 8.778 2.195 1.00 24.53 H new ATOM 0 HD2 ARG A 32 -6.189 8.604 0.319 1.00 74.22 H new ATOM 0 HD3 ARG A 32 -5.350 10.136 0.167 1.00 74.22 H new ATOM 0 HE ARG A 32 -3.956 8.024 -1.253 1.00 60.14 H new ATOM 0 HH11 ARG A 32 -6.703 10.292 -1.590 1.00 60.31 H new ATOM 0 HH12 ARG A 32 -6.654 10.217 -3.354 1.00 60.31 H new ATOM 0 HH21 ARG A 32 -3.983 7.924 -3.470 1.00 75.32 H new ATOM 0 HH22 ARG A 32 -5.131 8.890 -4.403 1.00 75.32 H new ATOM 523 N SER A 33 0.249 10.087 2.210 1.00 71.13 N ATOM 524 CA SER A 33 1.579 10.692 2.075 1.00 1.34 C ATOM 525 C SER A 33 2.671 9.612 2.107 1.00 4.41 C ATOM 526 O SER A 33 3.635 9.671 1.342 1.00 75.41 O ATOM 527 CB SER A 33 1.808 11.696 3.214 1.00 53.14 C ATOM 528 OG SER A 33 0.861 12.758 3.169 1.00 32.22 O ATOM 0 H SER A 33 -0.215 10.309 3.091 1.00 71.13 H new ATOM 0 HA SER A 33 1.631 11.209 1.117 1.00 1.34 H new ATOM 0 HB2 SER A 33 1.736 11.183 4.173 1.00 53.14 H new ATOM 0 HB3 SER A 33 2.817 12.103 3.145 1.00 53.14 H new ATOM 0 HG SER A 33 0.051 12.495 3.655 1.00 32.22 H new ATOM 534 N MET A 34 2.490 8.617 3.001 1.00 4.11 N ATOM 535 CA MET A 34 3.443 7.494 3.151 1.00 25.31 C ATOM 536 C MET A 34 3.435 6.627 1.888 1.00 42.52 C ATOM 537 O MET A 34 4.479 6.133 1.462 1.00 1.45 O ATOM 538 CB MET A 34 3.122 6.591 4.381 1.00 34.15 C ATOM 539 CG MET A 34 3.319 7.209 5.774 1.00 4.03 C ATOM 540 SD MET A 34 2.851 6.060 7.081 1.00 14.20 S ATOM 541 CE MET A 34 4.048 4.753 6.826 1.00 12.25 C ATOM 0 H MET A 34 1.690 8.568 3.632 1.00 4.11 H new ATOM 0 HA MET A 34 4.426 7.938 3.308 1.00 25.31 H new ATOM 0 HB2 MET A 34 2.085 6.264 4.299 1.00 34.15 H new ATOM 0 HB3 MET A 34 3.744 5.698 4.316 1.00 34.15 H new ATOM 0 HG2 MET A 34 4.362 7.499 5.900 1.00 4.03 H new ATOM 0 HG3 MET A 34 2.723 8.118 5.857 1.00 4.03 H new ATOM 0 HE1 MET A 34 4.478 4.461 7.784 1.00 12.25 H new ATOM 0 HE2 MET A 34 3.556 3.893 6.372 1.00 12.25 H new ATOM 0 HE3 MET A 34 4.840 5.108 6.167 1.00 12.25 H new ATOM 551 N LEU A 35 2.240 6.465 1.282 1.00 74.12 N ATOM 552 CA LEU A 35 2.079 5.608 0.086 1.00 62.21 C ATOM 553 C LEU A 35 2.601 6.376 -1.159 1.00 13.34 C ATOM 554 O LEU A 35 3.134 5.766 -2.091 1.00 63.20 O ATOM 555 CB LEU A 35 0.586 5.106 -0.079 1.00 13.24 C ATOM 556 CG LEU A 35 0.329 3.734 -0.834 1.00 50.44 C ATOM 557 CD1 LEU A 35 -1.129 3.252 -0.651 1.00 54.34 C ATOM 558 CD2 LEU A 35 0.663 3.811 -2.332 1.00 24.14 C ATOM 0 H LEU A 35 1.379 6.912 1.597 1.00 74.12 H new ATOM 0 HA LEU A 35 2.675 4.703 0.203 1.00 62.21 H new ATOM 0 HB2 LEU A 35 0.152 5.023 0.917 1.00 13.24 H new ATOM 0 HB3 LEU A 35 0.031 5.883 -0.605 1.00 13.24 H new ATOM 0 HG LEU A 35 1.005 3.011 -0.377 1.00 50.44 H new ATOM 0 HD11 LEU A 35 -1.270 2.310 -1.181 1.00 54.34 H new ATOM 0 HD12 LEU A 35 -1.333 3.106 0.410 1.00 54.34 H new ATOM 0 HD13 LEU A 35 -1.813 4.000 -1.052 1.00 54.34 H new ATOM 0 HD21 LEU A 35 0.469 2.845 -2.798 1.00 24.14 H new ATOM 0 HD22 LEU A 35 0.043 4.573 -2.804 1.00 24.14 H new ATOM 0 HD23 LEU A 35 1.714 4.069 -2.458 1.00 24.14 H new ATOM 570 N ALA A 36 2.481 7.723 -1.143 1.00 75.30 N ATOM 571 CA ALA A 36 3.054 8.589 -2.195 1.00 3.42 C ATOM 572 C ALA A 36 4.594 8.542 -2.163 1.00 23.42 C ATOM 573 O ALA A 36 5.242 8.501 -3.216 1.00 12.34 O ATOM 574 CB ALA A 36 2.541 10.030 -2.046 1.00 1.21 C ATOM 0 H ALA A 36 1.990 8.234 -0.409 1.00 75.30 H new ATOM 0 HA ALA A 36 2.729 8.213 -3.165 1.00 3.42 H new ATOM 0 HB1 ALA A 36 2.973 10.653 -2.829 1.00 1.21 H new ATOM 0 HB2 ALA A 36 1.455 10.040 -2.133 1.00 1.21 H new ATOM 0 HB3 ALA A 36 2.831 10.420 -1.070 1.00 1.21 H new ATOM 580 N THR A 37 5.155 8.524 -0.931 1.00 2.22 N ATOM 581 CA THR A 37 6.600 8.333 -0.698 1.00 52.54 C ATOM 582 C THR A 37 7.028 6.933 -1.176 1.00 61.15 C ATOM 583 O THR A 37 8.089 6.768 -1.777 1.00 53.33 O ATOM 584 CB THR A 37 6.953 8.508 0.824 1.00 25.55 C ATOM 585 OG1 THR A 37 6.475 9.779 1.282 1.00 42.33 O ATOM 586 CG2 THR A 37 8.466 8.416 1.106 1.00 74.43 C ATOM 0 H THR A 37 4.616 8.642 -0.073 1.00 2.22 H new ATOM 0 HA THR A 37 7.140 9.091 -1.265 1.00 52.54 H new ATOM 0 HB THR A 37 6.469 7.689 1.356 1.00 25.55 H new ATOM 0 HG1 THR A 37 5.496 9.764 1.326 1.00 42.33 H new ATOM 0 HG21 THR A 37 8.646 8.545 2.173 1.00 74.43 H new ATOM 0 HG22 THR A 37 8.836 7.441 0.791 1.00 74.43 H new ATOM 0 HG23 THR A 37 8.987 9.198 0.554 1.00 74.43 H new ATOM 594 N ALA A 38 6.143 5.946 -0.930 1.00 44.32 N ATOM 595 CA ALA A 38 6.365 4.534 -1.288 1.00 15.24 C ATOM 596 C ALA A 38 6.382 4.314 -2.813 1.00 5.41 C ATOM 597 O ALA A 38 7.031 3.380 -3.292 1.00 3.05 O ATOM 598 CB ALA A 38 5.310 3.649 -0.617 1.00 43.42 C ATOM 0 H ALA A 38 5.246 6.110 -0.473 1.00 44.32 H new ATOM 0 HA ALA A 38 7.351 4.251 -0.920 1.00 15.24 H new ATOM 0 HB1 ALA A 38 5.483 2.608 -0.888 1.00 43.42 H new ATOM 0 HB2 ALA A 38 5.378 3.758 0.465 1.00 43.42 H new ATOM 0 HB3 ALA A 38 4.317 3.950 -0.950 1.00 43.42 H new ATOM 604 N LEU A 39 5.667 5.182 -3.576 1.00 41.35 N ATOM 605 CA LEU A 39 5.761 5.183 -5.054 1.00 52.42 C ATOM 606 C LEU A 39 7.112 5.776 -5.483 1.00 72.25 C ATOM 607 O LEU A 39 7.747 5.275 -6.405 1.00 43.20 O ATOM 608 CB LEU A 39 4.597 5.979 -5.739 1.00 32.51 C ATOM 609 CG LEU A 39 3.113 5.523 -5.489 1.00 43.22 C ATOM 610 CD1 LEU A 39 2.133 6.446 -6.244 1.00 51.15 C ATOM 611 CD2 LEU A 39 2.853 4.042 -5.861 1.00 4.23 C ATOM 0 H LEU A 39 5.028 5.880 -3.195 1.00 41.35 H new ATOM 0 HA LEU A 39 5.676 4.147 -5.381 1.00 52.42 H new ATOM 0 HB2 LEU A 39 4.679 7.019 -5.424 1.00 32.51 H new ATOM 0 HB3 LEU A 39 4.771 5.957 -6.815 1.00 32.51 H new ATOM 0 HG LEU A 39 2.943 5.605 -4.416 1.00 43.22 H new ATOM 0 HD11 LEU A 39 1.110 6.118 -6.061 1.00 51.15 H new ATOM 0 HD12 LEU A 39 2.254 7.471 -5.892 1.00 51.15 H new ATOM 0 HD13 LEU A 39 2.342 6.403 -7.313 1.00 51.15 H new ATOM 0 HD21 LEU A 39 1.810 3.795 -5.663 1.00 4.23 H new ATOM 0 HD22 LEU A 39 3.068 3.889 -6.919 1.00 4.23 H new ATOM 0 HD23 LEU A 39 3.498 3.398 -5.263 1.00 4.23 H new ATOM 623 N GLU A 40 7.554 6.833 -4.786 1.00 34.11 N ATOM 624 CA GLU A 40 8.844 7.495 -5.072 1.00 4.10 C ATOM 625 C GLU A 40 10.033 6.623 -4.626 1.00 13.01 C ATOM 626 O GLU A 40 11.166 6.862 -5.040 1.00 21.54 O ATOM 627 CB GLU A 40 8.884 8.890 -4.409 1.00 54.13 C ATOM 628 CG GLU A 40 7.823 9.873 -4.945 1.00 32.45 C ATOM 629 CD GLU A 40 7.980 10.176 -6.444 1.00 70.44 C ATOM 630 OE1 GLU A 40 7.287 9.542 -7.274 1.00 44.33 O ATOM 631 OE2 GLU A 40 8.803 11.046 -6.801 1.00 75.52 O ATOM 0 H GLU A 40 7.036 7.253 -4.014 1.00 34.11 H new ATOM 0 HA GLU A 40 8.933 7.626 -6.150 1.00 4.10 H new ATOM 0 HB2 GLU A 40 8.746 8.774 -3.334 1.00 54.13 H new ATOM 0 HB3 GLU A 40 9.873 9.323 -4.558 1.00 54.13 H new ATOM 0 HG2 GLU A 40 6.831 9.459 -4.767 1.00 32.45 H new ATOM 0 HG3 GLU A 40 7.885 10.806 -4.384 1.00 32.45 H new ATOM 638 N LYS A 41 9.754 5.614 -3.786 1.00 54.21 N ATOM 639 CA LYS A 41 10.710 4.537 -3.461 1.00 63.42 C ATOM 640 C LYS A 41 10.779 3.515 -4.622 1.00 32.42 C ATOM 641 O LYS A 41 9.802 3.349 -5.371 1.00 62.11 O ATOM 642 CB LYS A 41 10.288 3.831 -2.143 1.00 73.12 C ATOM 643 CG LYS A 41 10.433 4.691 -0.867 1.00 45.50 C ATOM 644 CD LYS A 41 11.920 5.154 -0.622 1.00 22.43 C ATOM 645 CE LYS A 41 12.258 5.828 0.753 1.00 51.10 C ATOM 646 NZ LYS A 41 13.694 6.211 0.788 1.00 71.25 N ATOM 0 H LYS A 41 8.857 5.519 -3.310 1.00 54.21 H new ATOM 0 HA LYS A 41 11.700 4.973 -3.323 1.00 63.42 H new ATOM 0 HB2 LYS A 41 9.249 3.515 -2.234 1.00 73.12 H new ATOM 0 HB3 LYS A 41 10.886 2.928 -2.024 1.00 73.12 H new ATOM 0 HG2 LYS A 41 9.791 5.568 -0.948 1.00 45.50 H new ATOM 0 HG3 LYS A 41 10.086 4.120 -0.006 1.00 45.50 H new ATOM 0 HD2 LYS A 41 12.565 4.283 -0.736 1.00 22.43 H new ATOM 0 HD3 LYS A 41 12.188 5.854 -1.413 1.00 22.43 H new ATOM 0 HE2 LYS A 41 11.634 6.709 0.899 1.00 51.10 H new ATOM 0 HE3 LYS A 41 12.036 5.141 1.569 1.00 51.10 H new ATOM 0 HZ1 LYS A 41 13.912 6.657 1.702 1.00 71.25 H new ATOM 0 HZ2 LYS A 41 14.283 5.362 0.668 1.00 71.25 H new ATOM 0 HZ3 LYS A 41 13.893 6.882 0.019 1.00 71.25 H new ATOM 660 N ASP A 42 11.936 2.833 -4.758 1.00 44.22 N ATOM 661 CA ASP A 42 12.165 1.832 -5.821 1.00 31.45 C ATOM 662 C ASP A 42 11.325 0.577 -5.537 1.00 3.42 C ATOM 663 O ASP A 42 11.612 -0.171 -4.603 1.00 10.12 O ATOM 664 CB ASP A 42 13.669 1.450 -5.941 1.00 45.32 C ATOM 665 CG ASP A 42 14.549 2.597 -6.464 1.00 55.41 C ATOM 666 OD1 ASP A 42 15.243 3.249 -5.658 1.00 31.14 O ATOM 667 OD2 ASP A 42 14.552 2.850 -7.687 1.00 71.24 O ATOM 0 H ASP A 42 12.735 2.960 -4.136 1.00 44.22 H new ATOM 0 HA ASP A 42 11.861 2.274 -6.770 1.00 31.45 H new ATOM 0 HB2 ASP A 42 14.036 1.137 -4.964 1.00 45.32 H new ATOM 0 HB3 ASP A 42 13.767 0.593 -6.608 1.00 45.32 H new ATOM 672 N ILE A 43 10.266 0.378 -6.327 1.00 14.54 N ATOM 673 CA ILE A 43 9.351 -0.773 -6.193 1.00 31.13 C ATOM 674 C ILE A 43 9.285 -1.534 -7.536 1.00 51.34 C ATOM 675 O ILE A 43 9.322 -0.919 -8.605 1.00 63.54 O ATOM 676 CB ILE A 43 7.921 -0.288 -5.714 1.00 45.55 C ATOM 677 CG1 ILE A 43 7.258 0.697 -6.733 1.00 3.24 C ATOM 678 CG2 ILE A 43 8.019 0.377 -4.314 1.00 53.41 C ATOM 679 CD1 ILE A 43 5.944 1.313 -6.260 1.00 0.35 C ATOM 0 H ILE A 43 10.013 1.012 -7.085 1.00 14.54 H new ATOM 0 HA ILE A 43 9.727 -1.458 -5.433 1.00 31.13 H new ATOM 0 HB ILE A 43 7.284 -1.171 -5.653 1.00 45.55 H new ATOM 0 HG12 ILE A 43 7.962 1.500 -6.952 1.00 3.24 H new ATOM 0 HG13 ILE A 43 7.079 0.166 -7.668 1.00 3.24 H new ATOM 0 HG21 ILE A 43 7.029 0.706 -3.997 1.00 53.41 H new ATOM 0 HG22 ILE A 43 8.409 -0.344 -3.595 1.00 53.41 H new ATOM 0 HG23 ILE A 43 8.687 1.237 -4.365 1.00 53.41 H new ATOM 0 HD11 ILE A 43 5.558 1.981 -7.030 1.00 0.35 H new ATOM 0 HD12 ILE A 43 5.219 0.522 -6.069 1.00 0.35 H new ATOM 0 HD13 ILE A 43 6.116 1.877 -5.343 1.00 0.35 H new ATOM 691 N SER A 44 9.219 -2.875 -7.471 1.00 62.20 N ATOM 692 CA SER A 44 9.201 -3.751 -8.690 1.00 11.23 C ATOM 693 C SER A 44 7.768 -3.820 -9.262 1.00 72.30 C ATOM 694 O SER A 44 6.845 -3.284 -8.648 1.00 3.51 O ATOM 695 CB SER A 44 9.763 -5.179 -8.374 1.00 53.11 C ATOM 696 OG SER A 44 9.773 -6.017 -9.524 1.00 64.23 O ATOM 0 H SER A 44 9.177 -3.391 -6.592 1.00 62.20 H new ATOM 0 HA SER A 44 9.855 -3.314 -9.445 1.00 11.23 H new ATOM 0 HB2 SER A 44 10.776 -5.091 -7.982 1.00 53.11 H new ATOM 0 HB3 SER A 44 9.158 -5.642 -7.594 1.00 53.11 H new ATOM 0 HG SER A 44 10.132 -6.897 -9.284 1.00 64.23 H new ATOM 702 N GLN A 45 7.610 -4.500 -10.428 1.00 25.44 N ATOM 703 CA GLN A 45 6.344 -4.576 -11.203 1.00 45.15 C ATOM 704 C GLN A 45 5.123 -4.907 -10.318 1.00 2.44 C ATOM 705 O GLN A 45 4.093 -4.244 -10.421 1.00 53.44 O ATOM 706 CB GLN A 45 6.499 -5.590 -12.401 1.00 22.22 C ATOM 707 CG GLN A 45 5.302 -5.687 -13.405 1.00 52.53 C ATOM 708 CD GLN A 45 4.152 -6.615 -12.978 1.00 54.10 C ATOM 709 OE1 GLN A 45 3.163 -6.187 -12.371 1.00 71.13 O ATOM 710 NE2 GLN A 45 4.289 -7.899 -13.270 1.00 24.02 N ATOM 0 H GLN A 45 8.372 -5.020 -10.863 1.00 25.44 H new ATOM 0 HA GLN A 45 6.148 -3.586 -11.615 1.00 45.15 H new ATOM 0 HB2 GLN A 45 7.392 -5.317 -12.963 1.00 22.22 H new ATOM 0 HB3 GLN A 45 6.675 -6.582 -11.985 1.00 22.22 H new ATOM 0 HG2 GLN A 45 4.899 -4.686 -13.560 1.00 52.53 H new ATOM 0 HG3 GLN A 45 5.684 -6.030 -14.367 1.00 52.53 H new ATOM 0 HE21 GLN A 45 5.116 -8.222 -13.772 1.00 24.02 H new ATOM 0 HE22 GLN A 45 3.567 -8.565 -12.993 1.00 24.02 H new ATOM 719 N GLU A 46 5.282 -5.876 -9.400 1.00 73.23 N ATOM 720 CA GLU A 46 4.159 -6.442 -8.624 1.00 14.00 C ATOM 721 C GLU A 46 3.751 -5.486 -7.490 1.00 42.54 C ATOM 722 O GLU A 46 2.564 -5.295 -7.222 1.00 44.44 O ATOM 723 CB GLU A 46 4.522 -7.834 -8.031 1.00 14.02 C ATOM 724 CG GLU A 46 4.919 -8.930 -9.058 1.00 72.54 C ATOM 725 CD GLU A 46 6.256 -8.687 -9.797 1.00 14.15 C ATOM 726 OE1 GLU A 46 6.315 -8.889 -11.027 1.00 1.13 O ATOM 727 OE2 GLU A 46 7.251 -8.274 -9.146 1.00 12.12 O ATOM 0 H GLU A 46 6.187 -6.289 -9.174 1.00 73.23 H new ATOM 0 HA GLU A 46 3.320 -6.569 -9.308 1.00 14.00 H new ATOM 0 HB2 GLU A 46 5.347 -7.704 -7.331 1.00 14.02 H new ATOM 0 HB3 GLU A 46 3.670 -8.195 -7.456 1.00 14.02 H new ATOM 0 HG2 GLU A 46 4.978 -9.887 -8.539 1.00 72.54 H new ATOM 0 HG3 GLU A 46 4.124 -9.017 -9.798 1.00 72.54 H new ATOM 734 N GLU A 47 4.751 -4.865 -6.849 1.00 3.10 N ATOM 735 CA GLU A 47 4.532 -3.974 -5.689 1.00 33.11 C ATOM 736 C GLU A 47 3.940 -2.644 -6.193 1.00 14.32 C ATOM 737 O GLU A 47 2.997 -2.089 -5.603 1.00 75.42 O ATOM 738 CB GLU A 47 5.887 -3.778 -4.924 1.00 72.50 C ATOM 739 CG GLU A 47 5.817 -3.142 -3.510 1.00 1.25 C ATOM 740 CD GLU A 47 7.159 -3.238 -2.757 1.00 11.43 C ATOM 741 OE1 GLU A 47 7.659 -4.368 -2.582 1.00 64.12 O ATOM 742 OE2 GLU A 47 7.708 -2.209 -2.326 1.00 51.03 O ATOM 0 H GLU A 47 5.731 -4.962 -7.114 1.00 3.10 H new ATOM 0 HA GLU A 47 3.823 -4.410 -4.985 1.00 33.11 H new ATOM 0 HB2 GLU A 47 6.368 -4.752 -4.833 1.00 72.50 H new ATOM 0 HB3 GLU A 47 6.537 -3.158 -5.542 1.00 72.50 H new ATOM 0 HG2 GLU A 47 5.527 -2.095 -3.599 1.00 1.25 H new ATOM 0 HG3 GLU A 47 5.041 -3.639 -2.929 1.00 1.25 H new ATOM 749 N ARG A 48 4.470 -2.205 -7.355 1.00 14.23 N ATOM 750 CA ARG A 48 3.962 -1.060 -8.116 1.00 41.40 C ATOM 751 C ARG A 48 2.504 -1.288 -8.524 1.00 32.41 C ATOM 752 O ARG A 48 1.678 -0.392 -8.405 1.00 21.41 O ATOM 753 CB ARG A 48 4.827 -0.827 -9.377 1.00 4.32 C ATOM 754 CG ARG A 48 4.435 0.422 -10.190 1.00 63.22 C ATOM 755 CD ARG A 48 5.240 0.562 -11.486 1.00 34.42 C ATOM 756 NE ARG A 48 5.032 -0.573 -12.401 1.00 22.33 N ATOM 757 CZ ARG A 48 6.001 -1.235 -13.054 1.00 10.53 C ATOM 758 NH1 ARG A 48 7.285 -0.895 -12.904 1.00 71.52 N ATOM 759 NH2 ARG A 48 5.683 -2.243 -13.848 1.00 22.20 N ATOM 0 H ARG A 48 5.277 -2.650 -7.792 1.00 14.23 H new ATOM 0 HA ARG A 48 4.015 -0.177 -7.479 1.00 41.40 H new ATOM 0 HB2 ARG A 48 5.871 -0.738 -9.076 1.00 4.32 H new ATOM 0 HB3 ARG A 48 4.754 -1.703 -10.021 1.00 4.32 H new ATOM 0 HG2 ARG A 48 3.373 0.375 -10.430 1.00 63.22 H new ATOM 0 HG3 ARG A 48 4.584 1.311 -9.577 1.00 63.22 H new ATOM 0 HD2 ARG A 48 4.957 1.487 -11.988 1.00 34.42 H new ATOM 0 HD3 ARG A 48 6.300 0.642 -11.245 1.00 34.42 H new ATOM 0 HE ARG A 48 4.072 -0.882 -12.551 1.00 22.33 H new ATOM 0 HH11 ARG A 48 7.540 -0.124 -12.287 1.00 71.52 H new ATOM 0 HH12 ARG A 48 8.010 -1.407 -13.406 1.00 71.52 H new ATOM 0 HH21 ARG A 48 4.706 -2.514 -13.962 1.00 22.20 H new ATOM 0 HH22 ARG A 48 6.414 -2.750 -14.347 1.00 22.20 H new ATOM 773 N ASN A 49 2.216 -2.527 -8.973 1.00 42.34 N ATOM 774 CA ASN A 49 0.890 -2.935 -9.466 1.00 54.04 C ATOM 775 C ASN A 49 -0.168 -2.794 -8.352 1.00 24.11 C ATOM 776 O ASN A 49 -1.235 -2.225 -8.586 1.00 54.21 O ATOM 777 CB ASN A 49 0.970 -4.391 -10.015 1.00 42.34 C ATOM 778 CG ASN A 49 -0.218 -4.822 -10.883 1.00 60.31 C ATOM 779 OD1 ASN A 49 -1.362 -4.445 -10.645 1.00 30.43 O ATOM 780 ND2 ASN A 49 0.053 -5.606 -11.919 1.00 11.33 N ATOM 0 H ASN A 49 2.906 -3.278 -9.003 1.00 42.34 H new ATOM 0 HA ASN A 49 0.582 -2.280 -10.281 1.00 54.04 H new ATOM 0 HB2 ASN A 49 1.884 -4.493 -10.600 1.00 42.34 H new ATOM 0 HB3 ASN A 49 1.053 -5.077 -9.172 1.00 42.34 H new ATOM 0 HD21 ASN A 49 -0.698 -5.909 -12.539 1.00 11.33 H new ATOM 0 HD22 ASN A 49 1.012 -5.905 -12.095 1.00 11.33 H new ATOM 787 N ALA A 50 0.179 -3.263 -7.134 1.00 51.11 N ATOM 788 CA ALA A 50 -0.691 -3.176 -5.945 1.00 71.23 C ATOM 789 C ALA A 50 -0.973 -1.715 -5.552 1.00 60.41 C ATOM 790 O ALA A 50 -2.124 -1.345 -5.271 1.00 41.21 O ATOM 791 CB ALA A 50 -0.045 -3.929 -4.768 1.00 15.12 C ATOM 0 H ALA A 50 1.075 -3.714 -6.949 1.00 51.11 H new ATOM 0 HA ALA A 50 -1.646 -3.640 -6.193 1.00 71.23 H new ATOM 0 HB1 ALA A 50 -0.692 -3.861 -3.893 1.00 15.12 H new ATOM 0 HB2 ALA A 50 0.092 -4.976 -5.037 1.00 15.12 H new ATOM 0 HB3 ALA A 50 0.923 -3.484 -4.539 1.00 15.12 H new ATOM 797 N LEU A 51 0.087 -0.876 -5.546 1.00 73.25 N ATOM 798 CA LEU A 51 -0.032 0.531 -5.100 1.00 21.11 C ATOM 799 C LEU A 51 -0.616 1.464 -6.208 1.00 24.55 C ATOM 800 O LEU A 51 -1.131 2.558 -5.901 1.00 44.24 O ATOM 801 CB LEU A 51 1.328 1.062 -4.555 1.00 65.41 C ATOM 802 CG LEU A 51 2.076 0.232 -3.433 1.00 1.34 C ATOM 803 CD1 LEU A 51 3.359 0.966 -2.952 1.00 52.11 C ATOM 804 CD2 LEU A 51 1.182 -0.120 -2.213 1.00 55.51 C ATOM 0 H LEU A 51 1.026 -1.145 -5.842 1.00 73.25 H new ATOM 0 HA LEU A 51 -0.750 0.546 -4.280 1.00 21.11 H new ATOM 0 HB2 LEU A 51 2.007 1.160 -5.402 1.00 65.41 H new ATOM 0 HB3 LEU A 51 1.158 2.066 -4.165 1.00 65.41 H new ATOM 0 HG LEU A 51 2.349 -0.711 -3.907 1.00 1.34 H new ATOM 0 HD11 LEU A 51 3.851 0.372 -2.182 1.00 52.11 H new ATOM 0 HD12 LEU A 51 4.038 1.102 -3.794 1.00 52.11 H new ATOM 0 HD13 LEU A 51 3.089 1.939 -2.542 1.00 52.11 H new ATOM 0 HD21 LEU A 51 1.764 -0.688 -1.487 1.00 55.51 H new ATOM 0 HD22 LEU A 51 0.821 0.798 -1.749 1.00 55.51 H new ATOM 0 HD23 LEU A 51 0.333 -0.717 -2.545 1.00 55.51 H new ATOM 816 N ASN A 52 -0.578 1.023 -7.485 1.00 62.41 N ATOM 817 CA ASN A 52 -1.260 1.741 -8.600 1.00 0.03 C ATOM 818 C ASN A 52 -2.777 1.470 -8.550 1.00 51.33 C ATOM 819 O ASN A 52 -3.612 2.397 -8.697 1.00 14.14 O ATOM 820 CB ASN A 52 -0.683 1.358 -9.996 1.00 55.13 C ATOM 821 CG ASN A 52 0.611 2.105 -10.337 1.00 73.13 C ATOM 822 OD1 ASN A 52 1.455 2.345 -9.472 1.00 34.51 O ATOM 823 ND2 ASN A 52 0.751 2.530 -11.587 1.00 21.11 N ATOM 0 H ASN A 52 -0.086 0.178 -7.775 1.00 62.41 H new ATOM 0 HA ASN A 52 -1.076 2.807 -8.463 1.00 0.03 H new ATOM 0 HB2 ASN A 52 -0.494 0.285 -10.022 1.00 55.13 H new ATOM 0 HB3 ASN A 52 -1.430 1.569 -10.761 1.00 55.13 H new ATOM 0 HD21 ASN A 52 1.574 3.071 -11.853 1.00 21.11 H new ATOM 0 HD22 ASN A 52 0.035 2.316 -12.282 1.00 21.11 H new ATOM 830 N ILE A 53 -3.107 0.180 -8.295 1.00 13.13 N ATOM 831 CA ILE A 53 -4.480 -0.281 -8.010 1.00 11.45 C ATOM 832 C ILE A 53 -5.035 0.494 -6.799 1.00 24.43 C ATOM 833 O ILE A 53 -6.217 0.870 -6.771 1.00 33.21 O ATOM 834 CB ILE A 53 -4.509 -1.843 -7.736 1.00 14.32 C ATOM 835 CG1 ILE A 53 -4.311 -2.642 -9.068 1.00 53.44 C ATOM 836 CG2 ILE A 53 -5.786 -2.295 -6.990 1.00 54.42 C ATOM 837 CD1 ILE A 53 -4.340 -4.154 -8.913 1.00 33.13 C ATOM 0 H ILE A 53 -2.419 -0.573 -8.282 1.00 13.13 H new ATOM 0 HA ILE A 53 -5.107 -0.088 -8.880 1.00 11.45 H new ATOM 0 HB ILE A 53 -3.674 -2.067 -7.072 1.00 14.32 H new ATOM 0 HG12 ILE A 53 -5.090 -2.348 -9.771 1.00 53.44 H new ATOM 0 HG13 ILE A 53 -3.357 -2.354 -9.510 1.00 53.44 H new ATOM 0 HG21 ILE A 53 -5.752 -3.373 -6.830 1.00 54.42 H new ATOM 0 HG22 ILE A 53 -5.844 -1.787 -6.028 1.00 54.42 H new ATOM 0 HG23 ILE A 53 -6.663 -2.045 -7.586 1.00 54.42 H new ATOM 0 HD11 ILE A 53 -4.195 -4.622 -9.886 1.00 33.13 H new ATOM 0 HD12 ILE A 53 -3.543 -4.466 -8.238 1.00 33.13 H new ATOM 0 HD13 ILE A 53 -5.303 -4.459 -8.503 1.00 33.13 H new ATOM 849 N ALA A 54 -4.129 0.756 -5.822 1.00 20.45 N ATOM 850 CA ALA A 54 -4.450 1.531 -4.623 1.00 21.21 C ATOM 851 C ALA A 54 -4.881 2.949 -5.007 1.00 13.32 C ATOM 852 O ALA A 54 -5.967 3.334 -4.630 1.00 44.20 O ATOM 853 CB ALA A 54 -3.279 1.553 -3.630 1.00 22.35 C ATOM 0 H ALA A 54 -3.162 0.432 -5.855 1.00 20.45 H new ATOM 0 HA ALA A 54 -5.284 1.042 -4.119 1.00 21.21 H new ATOM 0 HB1 ALA A 54 -3.556 2.138 -2.753 1.00 22.35 H new ATOM 0 HB2 ALA A 54 -3.041 0.534 -3.326 1.00 22.35 H new ATOM 0 HB3 ALA A 54 -2.407 2.003 -4.105 1.00 22.35 H new ATOM 859 N GLU A 55 -4.064 3.679 -5.832 1.00 64.52 N ATOM 860 CA GLU A 55 -4.407 5.091 -6.249 1.00 12.34 C ATOM 861 C GLU A 55 -5.805 5.161 -6.869 1.00 0.22 C ATOM 862 O GLU A 55 -6.643 5.980 -6.455 1.00 33.44 O ATOM 863 CB GLU A 55 -3.408 5.752 -7.278 1.00 31.14 C ATOM 864 CG GLU A 55 -2.160 6.463 -6.701 1.00 10.13 C ATOM 865 CD GLU A 55 -2.491 7.421 -5.543 1.00 53.33 C ATOM 866 OE1 GLU A 55 -2.408 7.005 -4.367 1.00 63.24 O ATOM 867 OE2 GLU A 55 -2.848 8.592 -5.806 1.00 32.24 O ATOM 0 H GLU A 55 -3.186 3.330 -6.215 1.00 64.52 H new ATOM 0 HA GLU A 55 -4.343 5.652 -5.317 1.00 12.34 H new ATOM 0 HB2 GLU A 55 -3.067 4.976 -7.963 1.00 31.14 H new ATOM 0 HB3 GLU A 55 -3.965 6.477 -7.870 1.00 31.14 H new ATOM 0 HG2 GLU A 55 -1.451 5.712 -6.352 1.00 10.13 H new ATOM 0 HG3 GLU A 55 -1.667 7.021 -7.497 1.00 10.13 H new ATOM 874 N LYS A 56 -6.046 4.272 -7.854 1.00 44.13 N ATOM 875 CA LYS A 56 -7.269 4.335 -8.663 1.00 52.15 C ATOM 876 C LYS A 56 -8.513 4.041 -7.812 1.00 21.15 C ATOM 877 O LYS A 56 -9.533 4.693 -7.988 1.00 71.04 O ATOM 878 CB LYS A 56 -7.186 3.401 -9.901 1.00 42.33 C ATOM 879 CG LYS A 56 -6.134 3.789 -10.984 1.00 35.13 C ATOM 880 CD LYS A 56 -6.462 5.113 -11.749 1.00 14.22 C ATOM 881 CE LYS A 56 -5.967 6.389 -11.045 1.00 15.20 C ATOM 882 NZ LYS A 56 -6.385 7.627 -11.763 1.00 54.25 N ATOM 0 H LYS A 56 -5.414 3.511 -8.103 1.00 44.13 H new ATOM 0 HA LYS A 56 -7.362 5.354 -9.039 1.00 52.15 H new ATOM 0 HB2 LYS A 56 -6.965 2.391 -9.555 1.00 42.33 H new ATOM 0 HB3 LYS A 56 -8.168 3.369 -10.373 1.00 42.33 H new ATOM 0 HG2 LYS A 56 -5.159 3.889 -10.508 1.00 35.13 H new ATOM 0 HG3 LYS A 56 -6.054 2.976 -11.705 1.00 35.13 H new ATOM 0 HD2 LYS A 56 -6.017 5.064 -12.743 1.00 14.22 H new ATOM 0 HD3 LYS A 56 -7.541 5.182 -11.886 1.00 14.22 H new ATOM 0 HE2 LYS A 56 -6.354 6.413 -10.026 1.00 15.20 H new ATOM 0 HE3 LYS A 56 -4.880 6.363 -10.972 1.00 15.20 H new ATOM 0 HZ1 LYS A 56 -6.030 8.461 -11.253 1.00 54.25 H new ATOM 0 HZ2 LYS A 56 -5.994 7.618 -12.727 1.00 54.25 H new ATOM 0 HZ3 LYS A 56 -7.423 7.667 -11.811 1.00 54.25 H new ATOM 896 N ALA A 57 -8.394 3.109 -6.843 1.00 2.51 N ATOM 897 CA ALA A 57 -9.515 2.736 -5.950 1.00 64.13 C ATOM 898 C ALA A 57 -9.738 3.800 -4.845 1.00 4.44 C ATOM 899 O ALA A 57 -10.895 4.124 -4.524 1.00 73.24 O ATOM 900 CB ALA A 57 -9.297 1.333 -5.350 1.00 40.54 C ATOM 0 H ALA A 57 -7.530 2.599 -6.658 1.00 2.51 H new ATOM 0 HA ALA A 57 -10.424 2.702 -6.551 1.00 64.13 H new ATOM 0 HB1 ALA A 57 -10.134 1.082 -4.698 1.00 40.54 H new ATOM 0 HB2 ALA A 57 -9.231 0.600 -6.154 1.00 40.54 H new ATOM 0 HB3 ALA A 57 -8.372 1.324 -4.773 1.00 40.54 H new ATOM 906 N LEU A 58 -8.629 4.365 -4.293 1.00 43.42 N ATOM 907 CA LEU A 58 -8.676 5.447 -3.266 1.00 22.34 C ATOM 908 C LEU A 58 -9.532 6.609 -3.792 1.00 43.34 C ATOM 909 O LEU A 58 -10.515 7.013 -3.161 1.00 72.30 O ATOM 910 CB LEU A 58 -7.227 5.976 -2.888 1.00 21.33 C ATOM 911 CG LEU A 58 -6.209 4.993 -2.089 1.00 15.14 C ATOM 912 CD1 LEU A 58 -4.705 5.401 -2.207 1.00 33.34 C ATOM 913 CD2 LEU A 58 -6.546 4.764 -0.570 1.00 53.15 C ATOM 0 H LEU A 58 -7.681 4.086 -4.545 1.00 43.42 H new ATOM 0 HA LEU A 58 -9.118 5.031 -2.361 1.00 22.34 H new ATOM 0 HB2 LEU A 58 -6.735 6.276 -3.813 1.00 21.33 H new ATOM 0 HB3 LEU A 58 -7.353 6.877 -2.287 1.00 21.33 H new ATOM 0 HG LEU A 58 -6.368 4.050 -2.611 1.00 15.14 H new ATOM 0 HD11 LEU A 58 -4.092 4.696 -1.647 1.00 33.34 H new ATOM 0 HD12 LEU A 58 -4.406 5.389 -3.255 1.00 33.34 H new ATOM 0 HD13 LEU A 58 -4.567 6.403 -1.802 1.00 33.34 H new ATOM 0 HD21 LEU A 58 -5.807 4.094 -0.130 1.00 53.15 H new ATOM 0 HD22 LEU A 58 -6.528 5.719 -0.045 1.00 53.15 H new ATOM 0 HD23 LEU A 58 -7.537 4.320 -0.480 1.00 53.15 H new ATOM 925 N ASP A 59 -9.178 7.076 -4.994 1.00 72.14 N ATOM 926 CA ASP A 59 -9.834 8.225 -5.637 1.00 13.21 C ATOM 927 C ASP A 59 -11.100 7.824 -6.420 1.00 34.11 C ATOM 928 O ASP A 59 -11.763 8.683 -6.997 1.00 63.33 O ATOM 929 CB ASP A 59 -8.818 8.974 -6.520 1.00 21.43 C ATOM 930 CG ASP A 59 -7.637 9.491 -5.689 1.00 0.20 C ATOM 931 OD1 ASP A 59 -7.763 10.556 -5.032 1.00 21.33 O ATOM 932 OD2 ASP A 59 -6.592 8.820 -5.658 1.00 0.13 O ATOM 0 H ASP A 59 -8.427 6.669 -5.551 1.00 72.14 H new ATOM 0 HA ASP A 59 -10.180 8.900 -4.854 1.00 13.21 H new ATOM 0 HB2 ASP A 59 -8.452 8.309 -7.302 1.00 21.43 H new ATOM 0 HB3 ASP A 59 -9.310 9.810 -7.017 1.00 21.43 H new ATOM 937 N ASN A 60 -11.430 6.519 -6.446 1.00 43.45 N ATOM 938 CA ASN A 60 -12.750 6.029 -6.930 1.00 35.00 C ATOM 939 C ASN A 60 -13.692 5.764 -5.724 1.00 53.44 C ATOM 940 O ASN A 60 -14.860 5.406 -5.908 1.00 24.42 O ATOM 941 CB ASN A 60 -12.574 4.748 -7.806 1.00 5.34 C ATOM 942 CG ASN A 60 -13.830 4.325 -8.585 1.00 2.50 C ATOM 943 OD1 ASN A 60 -14.654 5.149 -8.974 1.00 11.21 O ATOM 944 ND2 ASN A 60 -13.978 3.032 -8.831 1.00 22.44 N ATOM 0 H ASN A 60 -10.803 5.776 -6.138 1.00 43.45 H new ATOM 0 HA ASN A 60 -13.205 6.796 -7.557 1.00 35.00 H new ATOM 0 HB2 ASN A 60 -11.763 4.918 -8.515 1.00 5.34 H new ATOM 0 HB3 ASN A 60 -12.267 3.923 -7.162 1.00 5.34 H new ATOM 0 HD21 ASN A 60 -14.789 2.702 -9.354 1.00 22.44 H new ATOM 0 HD22 ASN A 60 -13.281 2.366 -8.498 1.00 22.44 H new ATOM 951 N SER A 61 -13.140 5.915 -4.488 1.00 34.43 N ATOM 952 CA SER A 61 -13.904 5.876 -3.210 1.00 62.15 C ATOM 953 C SER A 61 -14.306 4.438 -2.843 1.00 14.04 C ATOM 954 O SER A 61 -15.262 4.217 -2.095 1.00 13.11 O ATOM 955 CB SER A 61 -15.148 6.818 -3.230 1.00 34.43 C ATOM 956 OG SER A 61 -14.790 8.173 -3.441 1.00 13.42 O ATOM 0 H SER A 61 -12.141 6.069 -4.350 1.00 34.43 H new ATOM 0 HA SER A 61 -13.235 6.250 -2.435 1.00 62.15 H new ATOM 0 HB2 SER A 61 -15.831 6.498 -4.016 1.00 34.43 H new ATOM 0 HB3 SER A 61 -15.685 6.729 -2.285 1.00 34.43 H new ATOM 0 HG SER A 61 -15.598 8.728 -3.448 1.00 13.42 H new ATOM 962 N GLU A 62 -13.509 3.464 -3.311 1.00 20.30 N ATOM 963 CA GLU A 62 -13.741 2.023 -3.061 1.00 0.54 C ATOM 964 C GLU A 62 -13.237 1.583 -1.659 1.00 33.32 C ATOM 965 O GLU A 62 -12.798 0.452 -1.492 1.00 20.22 O ATOM 966 CB GLU A 62 -13.090 1.192 -4.198 1.00 11.41 C ATOM 967 CG GLU A 62 -13.727 1.428 -5.582 1.00 70.45 C ATOM 968 CD GLU A 62 -13.124 0.545 -6.685 1.00 34.24 C ATOM 969 OE1 GLU A 62 -12.167 0.977 -7.353 1.00 72.15 O ATOM 970 OE2 GLU A 62 -13.607 -0.589 -6.890 1.00 23.44 O ATOM 0 H GLU A 62 -12.681 3.650 -3.876 1.00 20.30 H new ATOM 0 HA GLU A 62 -14.815 1.839 -3.062 1.00 0.54 H new ATOM 0 HB2 GLU A 62 -12.028 1.434 -4.251 1.00 11.41 H new ATOM 0 HB3 GLU A 62 -13.164 0.133 -3.950 1.00 11.41 H new ATOM 0 HG2 GLU A 62 -14.798 1.238 -5.519 1.00 70.45 H new ATOM 0 HG3 GLU A 62 -13.605 2.476 -5.857 1.00 70.45 H new ATOM 977 N TYR A 63 -13.295 2.520 -0.685 1.00 63.03 N ATOM 978 CA TYR A 63 -13.320 2.251 0.775 1.00 74.13 C ATOM 979 C TYR A 63 -11.942 1.989 1.412 1.00 75.15 C ATOM 980 O TYR A 63 -11.075 1.324 0.846 1.00 12.34 O ATOM 981 CB TYR A 63 -14.331 1.118 1.148 1.00 33.10 C ATOM 982 CG TYR A 63 -15.805 1.534 1.032 1.00 23.12 C ATOM 983 CD1 TYR A 63 -16.522 1.379 -0.158 1.00 20.33 C ATOM 984 CD2 TYR A 63 -16.475 2.086 2.121 1.00 61.32 C ATOM 985 CE1 TYR A 63 -17.841 1.756 -0.252 1.00 53.43 C ATOM 986 CE2 TYR A 63 -17.793 2.463 2.030 1.00 23.34 C ATOM 987 CZ TYR A 63 -18.475 2.300 0.845 1.00 4.22 C ATOM 988 OH TYR A 63 -19.798 2.683 0.762 1.00 63.33 O ATOM 0 H TYR A 63 -13.327 3.517 -0.898 1.00 63.03 H new ATOM 0 HA TYR A 63 -13.668 3.188 1.210 1.00 74.13 H new ATOM 0 HB2 TYR A 63 -14.154 0.259 0.500 1.00 33.10 H new ATOM 0 HB3 TYR A 63 -14.135 0.792 2.170 1.00 33.10 H new ATOM 0 HD1 TYR A 63 -16.030 0.955 -1.021 1.00 20.33 H new ATOM 0 HD2 TYR A 63 -15.949 2.220 3.054 1.00 61.32 H new ATOM 0 HE1 TYR A 63 -18.378 1.627 -1.180 1.00 53.43 H new ATOM 0 HE2 TYR A 63 -18.294 2.887 2.888 1.00 23.34 H new ATOM 0 HH TYR A 63 -20.088 3.045 1.625 1.00 63.33 H new ATOM 998 N LEU A 64 -11.847 2.401 2.684 1.00 33.15 N ATOM 999 CA LEU A 64 -10.592 2.348 3.471 1.00 60.12 C ATOM 1000 C LEU A 64 -10.398 0.901 3.968 1.00 73.01 C ATOM 1001 O LEU A 64 -9.302 0.372 3.807 1.00 33.24 O ATOM 1002 CB LEU A 64 -10.496 3.382 4.698 1.00 15.42 C ATOM 1003 CG LEU A 64 -9.765 4.788 4.555 1.00 51.11 C ATOM 1004 CD1 LEU A 64 -8.253 4.659 4.218 1.00 22.33 C ATOM 1005 CD2 LEU A 64 -10.466 5.824 3.627 1.00 44.21 C ATOM 0 H LEU A 64 -12.637 2.783 3.204 1.00 33.15 H new ATOM 0 HA LEU A 64 -9.792 2.662 2.800 1.00 60.12 H new ATOM 0 HB2 LEU A 64 -11.518 3.589 5.017 1.00 15.42 H new ATOM 0 HB3 LEU A 64 -10.007 2.855 5.517 1.00 15.42 H new ATOM 0 HG LEU A 64 -9.853 5.206 5.558 1.00 51.11 H new ATOM 0 HD11 LEU A 64 -7.813 5.653 4.134 1.00 22.33 H new ATOM 0 HD12 LEU A 64 -7.750 4.105 5.010 1.00 22.33 H new ATOM 0 HD13 LEU A 64 -8.135 4.129 3.273 1.00 22.33 H new ATOM 0 HD21 LEU A 64 -9.883 6.744 3.603 1.00 44.21 H new ATOM 0 HD22 LEU A 64 -10.542 5.416 2.619 1.00 44.21 H new ATOM 0 HD23 LEU A 64 -11.464 6.037 4.009 1.00 44.21 H new ATOM 1017 N PRO A 65 -11.453 0.224 4.582 1.00 43.43 N ATOM 1018 CA PRO A 65 -11.379 -1.221 4.895 1.00 73.14 C ATOM 1019 C PRO A 65 -11.017 -2.071 3.667 1.00 21.12 C ATOM 1020 O PRO A 65 -10.171 -2.946 3.760 1.00 23.42 O ATOM 1021 CB PRO A 65 -12.797 -1.567 5.402 1.00 5.34 C ATOM 1022 CG PRO A 65 -13.319 -0.287 5.958 1.00 55.52 C ATOM 1023 CD PRO A 65 -12.754 0.795 5.066 1.00 24.35 C ATOM 0 HA PRO A 65 -10.597 -1.434 5.624 1.00 73.14 H new ATOM 0 HB2 PRO A 65 -13.429 -1.935 4.593 1.00 5.34 H new ATOM 0 HB3 PRO A 65 -12.767 -2.347 6.163 1.00 5.34 H new ATOM 0 HG2 PRO A 65 -14.409 -0.271 5.953 1.00 55.52 H new ATOM 0 HG3 PRO A 65 -13.003 -0.149 6.992 1.00 55.52 H new ATOM 0 HD2 PRO A 65 -13.425 1.019 4.237 1.00 24.35 H new ATOM 0 HD3 PRO A 65 -12.603 1.725 5.614 1.00 24.35 H new ATOM 1031 N LYS A 66 -11.623 -1.750 2.503 1.00 50.20 N ATOM 1032 CA LYS A 66 -11.458 -2.550 1.277 1.00 72.40 C ATOM 1033 C LYS A 66 -9.999 -2.479 0.772 1.00 4.55 C ATOM 1034 O LYS A 66 -9.438 -3.485 0.342 1.00 42.42 O ATOM 1035 CB LYS A 66 -12.449 -2.090 0.180 1.00 63.02 C ATOM 1036 CG LYS A 66 -12.370 -2.877 -1.154 1.00 64.32 C ATOM 1037 CD LYS A 66 -12.797 -4.362 -1.022 1.00 31.54 C ATOM 1038 CE LYS A 66 -12.766 -5.103 -2.374 1.00 61.23 C ATOM 1039 NZ LYS A 66 -13.260 -6.504 -2.266 1.00 44.43 N ATOM 0 H LYS A 66 -12.232 -0.939 2.390 1.00 50.20 H new ATOM 0 HA LYS A 66 -11.683 -3.590 1.515 1.00 72.40 H new ATOM 0 HB2 LYS A 66 -13.463 -2.171 0.572 1.00 63.02 H new ATOM 0 HB3 LYS A 66 -12.271 -1.035 -0.028 1.00 63.02 H new ATOM 0 HG2 LYS A 66 -13.005 -2.389 -1.893 1.00 64.32 H new ATOM 0 HG3 LYS A 66 -11.349 -2.833 -1.533 1.00 64.32 H new ATOM 0 HD2 LYS A 66 -12.135 -4.867 -0.318 1.00 31.54 H new ATOM 0 HD3 LYS A 66 -13.803 -4.413 -0.606 1.00 31.54 H new ATOM 0 HE2 LYS A 66 -13.376 -4.560 -3.096 1.00 61.23 H new ATOM 0 HE3 LYS A 66 -11.746 -5.109 -2.758 1.00 61.23 H new ATOM 0 HZ1 LYS A 66 -13.220 -6.959 -3.200 1.00 44.43 H new ATOM 0 HZ2 LYS A 66 -12.663 -7.032 -1.597 1.00 44.43 H new ATOM 0 HZ3 LYS A 66 -14.242 -6.500 -1.925 1.00 44.43 H new ATOM 1053 N ILE A 67 -9.386 -1.284 0.856 1.00 53.54 N ATOM 1054 CA ILE A 67 -8.004 -1.059 0.381 1.00 0.13 C ATOM 1055 C ILE A 67 -6.942 -1.501 1.415 1.00 25.23 C ATOM 1056 O ILE A 67 -5.835 -1.900 1.035 1.00 72.20 O ATOM 1057 CB ILE A 67 -7.834 0.440 -0.053 1.00 55.43 C ATOM 1058 CG1 ILE A 67 -8.842 0.724 -1.211 1.00 60.04 C ATOM 1059 CG2 ILE A 67 -6.378 0.769 -0.476 1.00 23.13 C ATOM 1060 CD1 ILE A 67 -8.970 2.172 -1.613 1.00 44.42 C ATOM 0 H ILE A 67 -9.827 -0.453 1.251 1.00 53.54 H new ATOM 0 HA ILE A 67 -7.833 -1.691 -0.491 1.00 0.13 H new ATOM 0 HB ILE A 67 -8.047 1.087 0.798 1.00 55.43 H new ATOM 0 HG12 ILE A 67 -8.539 0.147 -2.084 1.00 60.04 H new ATOM 0 HG13 ILE A 67 -9.825 0.358 -0.913 1.00 60.04 H new ATOM 0 HG21 ILE A 67 -6.312 1.817 -0.767 1.00 23.13 H new ATOM 0 HG22 ILE A 67 -5.705 0.582 0.361 1.00 23.13 H new ATOM 0 HG23 ILE A 67 -6.093 0.139 -1.319 1.00 23.13 H new ATOM 0 HD11 ILE A 67 -9.693 2.262 -2.423 1.00 44.42 H new ATOM 0 HD12 ILE A 67 -9.308 2.758 -0.758 1.00 44.42 H new ATOM 0 HD13 ILE A 67 -8.002 2.544 -1.948 1.00 44.42 H new ATOM 1072 N ILE A 68 -7.296 -1.487 2.712 1.00 34.24 N ATOM 1073 CA ILE A 68 -6.423 -2.024 3.783 1.00 15.51 C ATOM 1074 C ILE A 68 -6.385 -3.558 3.687 1.00 44.21 C ATOM 1075 O ILE A 68 -5.319 -4.178 3.814 1.00 73.44 O ATOM 1076 CB ILE A 68 -6.876 -1.532 5.211 1.00 24.23 C ATOM 1077 CG1 ILE A 68 -6.545 -0.010 5.383 1.00 5.44 C ATOM 1078 CG2 ILE A 68 -6.242 -2.378 6.347 1.00 62.14 C ATOM 1079 CD1 ILE A 68 -7.184 0.637 6.591 1.00 43.11 C ATOM 0 H ILE A 68 -8.182 -1.110 3.049 1.00 34.24 H new ATOM 0 HA ILE A 68 -5.413 -1.640 3.640 1.00 15.51 H new ATOM 0 HB ILE A 68 -7.955 -1.668 5.287 1.00 24.23 H new ATOM 0 HG12 ILE A 68 -5.464 0.108 5.452 1.00 5.44 H new ATOM 0 HG13 ILE A 68 -6.867 0.523 4.488 1.00 5.44 H new ATOM 0 HG21 ILE A 68 -6.582 -2.004 7.313 1.00 62.14 H new ATOM 0 HG22 ILE A 68 -6.542 -3.420 6.236 1.00 62.14 H new ATOM 0 HG23 ILE A 68 -5.156 -2.306 6.292 1.00 62.14 H new ATOM 0 HD11 ILE A 68 -6.902 1.689 6.632 1.00 43.11 H new ATOM 0 HD12 ILE A 68 -8.268 0.555 6.517 1.00 43.11 H new ATOM 0 HD13 ILE A 68 -6.843 0.134 7.496 1.00 43.11 H new ATOM 1091 N LEU A 69 -7.562 -4.150 3.403 1.00 61.33 N ATOM 1092 CA LEU A 69 -7.674 -5.562 3.021 1.00 35.32 C ATOM 1093 C LEU A 69 -6.858 -5.813 1.739 1.00 71.03 C ATOM 1094 O LEU A 69 -6.104 -6.751 1.695 1.00 62.21 O ATOM 1095 CB LEU A 69 -9.169 -5.993 2.827 1.00 3.52 C ATOM 1096 CG LEU A 69 -9.949 -6.570 4.098 1.00 53.12 C ATOM 1097 CD1 LEU A 69 -9.393 -7.929 4.592 1.00 54.14 C ATOM 1098 CD2 LEU A 69 -10.005 -5.583 5.299 1.00 72.11 C ATOM 0 H LEU A 69 -8.456 -3.660 3.433 1.00 61.33 H new ATOM 0 HA LEU A 69 -7.270 -6.172 3.829 1.00 35.32 H new ATOM 0 HB2 LEU A 69 -9.722 -5.129 2.459 1.00 3.52 H new ATOM 0 HB3 LEU A 69 -9.201 -6.749 2.043 1.00 3.52 H new ATOM 0 HG LEU A 69 -10.963 -6.718 3.728 1.00 53.12 H new ATOM 0 HD11 LEU A 69 -9.966 -8.264 5.456 1.00 54.14 H new ATOM 0 HD12 LEU A 69 -9.474 -8.667 3.794 1.00 54.14 H new ATOM 0 HD13 LEU A 69 -8.346 -7.813 4.874 1.00 54.14 H new ATOM 0 HD21 LEU A 69 -10.549 -6.044 6.123 1.00 72.11 H new ATOM 0 HD22 LEU A 69 -8.991 -5.345 5.622 1.00 72.11 H new ATOM 0 HD23 LEU A 69 -10.513 -4.668 4.995 1.00 72.11 H new ATOM 1110 N ASN A 70 -6.978 -4.910 0.739 1.00 62.33 N ATOM 1111 CA ASN A 70 -6.314 -5.064 -0.582 1.00 53.33 C ATOM 1112 C ASN A 70 -4.781 -5.140 -0.444 1.00 63.21 C ATOM 1113 O ASN A 70 -4.156 -5.991 -1.074 1.00 1.33 O ATOM 1114 CB ASN A 70 -6.743 -3.913 -1.552 1.00 73.42 C ATOM 1115 CG ASN A 70 -5.956 -3.857 -2.876 1.00 54.03 C ATOM 1116 OD1 ASN A 70 -6.308 -4.516 -3.852 1.00 71.41 O ATOM 1117 ND2 ASN A 70 -4.900 -3.047 -2.921 1.00 64.35 N ATOM 0 H ASN A 70 -7.533 -4.058 0.821 1.00 62.33 H new ATOM 0 HA ASN A 70 -6.642 -6.010 -1.012 1.00 53.33 H new ATOM 0 HB2 ASN A 70 -7.803 -4.025 -1.780 1.00 73.42 H new ATOM 0 HB3 ASN A 70 -6.627 -2.960 -1.036 1.00 73.42 H new ATOM 0 HD21 ASN A 70 -4.359 -2.961 -3.782 1.00 64.35 H new ATOM 0 HD22 ASN A 70 -4.632 -2.512 -2.095 1.00 64.35 H new ATOM 1124 N LEU A 71 -4.178 -4.279 0.415 1.00 21.54 N ATOM 1125 CA LEU A 71 -2.715 -4.273 0.610 1.00 43.31 C ATOM 1126 C LEU A 71 -2.302 -5.452 1.500 1.00 44.21 C ATOM 1127 O LEU A 71 -1.260 -6.041 1.290 1.00 55.23 O ATOM 1128 CB LEU A 71 -2.205 -2.930 1.224 1.00 72.41 C ATOM 1129 CG LEU A 71 -2.583 -1.584 0.500 1.00 72.43 C ATOM 1130 CD1 LEU A 71 -1.926 -0.382 1.218 1.00 15.42 C ATOM 1131 CD2 LEU A 71 -2.228 -1.577 -1.013 1.00 62.55 C ATOM 0 H LEU A 71 -4.680 -3.590 0.975 1.00 21.54 H new ATOM 0 HA LEU A 71 -2.253 -4.374 -0.372 1.00 43.31 H new ATOM 0 HB2 LEU A 71 -2.575 -2.871 2.248 1.00 72.41 H new ATOM 0 HB3 LEU A 71 -1.118 -2.983 1.280 1.00 72.41 H new ATOM 0 HG LEU A 71 -3.668 -1.495 0.560 1.00 72.43 H new ATOM 0 HD11 LEU A 71 -2.197 0.541 0.705 1.00 15.42 H new ATOM 0 HD12 LEU A 71 -2.275 -0.340 2.250 1.00 15.42 H new ATOM 0 HD13 LEU A 71 -0.842 -0.499 1.206 1.00 15.42 H new ATOM 0 HD21 LEU A 71 -2.515 -0.620 -1.450 1.00 62.55 H new ATOM 0 HD22 LEU A 71 -1.155 -1.724 -1.136 1.00 62.55 H new ATOM 0 HD23 LEU A 71 -2.765 -2.381 -1.516 1.00 62.55 H new ATOM 1143 N ARG A 72 -3.149 -5.822 2.475 1.00 3.14 N ATOM 1144 CA ARG A 72 -2.864 -6.992 3.346 1.00 25.34 C ATOM 1145 C ARG A 72 -3.117 -8.323 2.574 1.00 25.25 C ATOM 1146 O ARG A 72 -2.568 -9.355 2.924 1.00 75.20 O ATOM 1147 CB ARG A 72 -3.648 -6.898 4.700 1.00 53.24 C ATOM 1148 CG ARG A 72 -3.373 -8.054 5.697 1.00 11.33 C ATOM 1149 CD ARG A 72 -4.032 -7.841 7.071 1.00 52.15 C ATOM 1150 NE ARG A 72 -5.500 -7.766 7.018 1.00 2.33 N ATOM 1151 CZ ARG A 72 -6.342 -8.803 7.168 1.00 31.23 C ATOM 1152 NH1 ARG A 72 -5.888 -10.033 7.386 1.00 73.42 N ATOM 1153 NH2 ARG A 72 -7.636 -8.596 7.111 1.00 55.32 N ATOM 0 H ARG A 72 -4.024 -5.342 2.684 1.00 3.14 H new ATOM 0 HA ARG A 72 -1.808 -6.984 3.615 1.00 25.34 H new ATOM 0 HB2 ARG A 72 -3.397 -5.954 5.183 1.00 53.24 H new ATOM 0 HB3 ARG A 72 -4.716 -6.871 4.483 1.00 53.24 H new ATOM 0 HG2 ARG A 72 -3.736 -8.988 5.269 1.00 11.33 H new ATOM 0 HG3 ARG A 72 -2.297 -8.161 5.831 1.00 11.33 H new ATOM 0 HD2 ARG A 72 -3.743 -8.657 7.733 1.00 52.15 H new ATOM 0 HD3 ARG A 72 -3.646 -6.921 7.511 1.00 52.15 H new ATOM 0 HE ARG A 72 -5.915 -6.849 6.853 1.00 2.33 H new ATOM 0 HH11 ARG A 72 -4.884 -10.204 7.442 1.00 73.42 H new ATOM 0 HH12 ARG A 72 -6.544 -10.806 7.497 1.00 73.42 H new ATOM 0 HH21 ARG A 72 -7.995 -7.654 6.954 1.00 55.32 H new ATOM 0 HH22 ARG A 72 -8.283 -9.377 7.224 1.00 55.32 H new ATOM 1167 N LYS A 73 -3.924 -8.284 1.488 1.00 12.20 N ATOM 1168 CA LYS A 73 -4.164 -9.463 0.615 1.00 75.12 C ATOM 1169 C LYS A 73 -3.107 -9.546 -0.488 1.00 2.43 C ATOM 1170 O LYS A 73 -2.800 -10.633 -0.963 1.00 72.34 O ATOM 1171 CB LYS A 73 -5.603 -9.449 0.004 1.00 63.43 C ATOM 1172 CG LYS A 73 -6.711 -9.670 1.062 1.00 51.51 C ATOM 1173 CD LYS A 73 -8.150 -9.536 0.518 1.00 14.41 C ATOM 1174 CE LYS A 73 -8.533 -10.671 -0.433 1.00 1.52 C ATOM 1175 NZ LYS A 73 -9.919 -10.523 -0.952 1.00 50.14 N ATOM 0 H LYS A 73 -4.423 -7.445 1.192 1.00 12.20 H new ATOM 0 HA LYS A 73 -4.083 -10.353 1.239 1.00 75.12 H new ATOM 0 HB2 LYS A 73 -5.770 -8.495 -0.496 1.00 63.43 H new ATOM 0 HB3 LYS A 73 -5.676 -10.225 -0.758 1.00 63.43 H new ATOM 0 HG2 LYS A 73 -6.590 -10.663 1.494 1.00 51.51 H new ATOM 0 HG3 LYS A 73 -6.573 -8.952 1.870 1.00 51.51 H new ATOM 0 HD2 LYS A 73 -8.849 -9.517 1.354 1.00 14.41 H new ATOM 0 HD3 LYS A 73 -8.250 -8.583 -0.002 1.00 14.41 H new ATOM 0 HE2 LYS A 73 -7.834 -10.694 -1.269 1.00 1.52 H new ATOM 0 HE3 LYS A 73 -8.441 -11.625 0.086 1.00 1.52 H new ATOM 0 HZ1 LYS A 73 -10.136 -11.313 -1.592 1.00 50.14 H new ATOM 0 HZ2 LYS A 73 -10.590 -10.527 -0.157 1.00 50.14 H new ATOM 0 HZ3 LYS A 73 -10.002 -9.625 -1.470 1.00 50.14 H new ATOM 1189 N ALA A 74 -2.558 -8.394 -0.898 1.00 13.52 N ATOM 1190 CA ALA A 74 -1.563 -8.336 -1.991 1.00 41.31 C ATOM 1191 C ALA A 74 -0.120 -8.458 -1.463 1.00 32.53 C ATOM 1192 O ALA A 74 0.727 -9.030 -2.141 1.00 22.13 O ATOM 1193 CB ALA A 74 -1.747 -7.051 -2.827 1.00 1.42 C ATOM 0 H ALA A 74 -2.783 -7.486 -0.492 1.00 13.52 H new ATOM 0 HA ALA A 74 -1.737 -9.194 -2.640 1.00 41.31 H new ATOM 0 HB1 ALA A 74 -1.006 -7.027 -3.626 1.00 1.42 H new ATOM 0 HB2 ALA A 74 -2.747 -7.039 -3.260 1.00 1.42 H new ATOM 0 HB3 ALA A 74 -1.618 -6.179 -2.186 1.00 1.42 H new ATOM 1199 N LEU A 75 0.167 -7.945 -0.246 1.00 3.12 N ATOM 1200 CA LEU A 75 1.566 -7.887 0.267 1.00 64.05 C ATOM 1201 C LEU A 75 1.890 -9.059 1.213 1.00 54.31 C ATOM 1202 O LEU A 75 3.052 -9.472 1.276 1.00 24.35 O ATOM 1203 CB LEU A 75 1.906 -6.517 0.963 1.00 25.31 C ATOM 1204 CG LEU A 75 1.550 -5.166 0.216 1.00 12.25 C ATOM 1205 CD1 LEU A 75 2.117 -3.942 0.973 1.00 11.12 C ATOM 1206 CD2 LEU A 75 1.975 -5.141 -1.275 1.00 54.21 C ATOM 0 H LEU A 75 -0.533 -7.570 0.394 1.00 3.12 H new ATOM 0 HA LEU A 75 2.200 -7.975 -0.615 1.00 64.05 H new ATOM 0 HB2 LEU A 75 1.398 -6.503 1.927 1.00 25.31 H new ATOM 0 HB3 LEU A 75 2.977 -6.508 1.166 1.00 25.31 H new ATOM 0 HG LEU A 75 0.461 -5.109 0.217 1.00 12.25 H new ATOM 0 HD11 LEU A 75 1.857 -3.030 0.436 1.00 11.12 H new ATOM 0 HD12 LEU A 75 1.693 -3.906 1.976 1.00 11.12 H new ATOM 0 HD13 LEU A 75 3.202 -4.026 1.040 1.00 11.12 H new ATOM 0 HD21 LEU A 75 1.697 -4.184 -1.717 1.00 54.21 H new ATOM 0 HD22 LEU A 75 3.054 -5.275 -1.348 1.00 54.21 H new ATOM 0 HD23 LEU A 75 1.473 -5.947 -1.810 1.00 54.21 H new ATOM 1218 N THR A 76 0.880 -9.601 1.940 1.00 13.33 N ATOM 1219 CA THR A 76 1.110 -10.739 2.869 1.00 65.21 C ATOM 1220 C THR A 76 1.596 -12.032 2.142 1.00 45.12 C ATOM 1221 O THR A 76 2.589 -12.609 2.596 1.00 42.20 O ATOM 1222 CB THR A 76 -0.126 -11.027 3.801 1.00 0.34 C ATOM 1223 OG1 THR A 76 -0.322 -9.901 4.651 1.00 24.01 O ATOM 1224 CG2 THR A 76 0.018 -12.308 4.659 1.00 32.01 C ATOM 0 H THR A 76 -0.086 -9.276 1.903 1.00 13.33 H new ATOM 0 HA THR A 76 1.926 -10.419 3.517 1.00 65.21 H new ATOM 0 HB THR A 76 -0.985 -11.197 3.152 1.00 0.34 H new ATOM 0 HG1 THR A 76 -1.082 -9.375 4.327 1.00 24.01 H new ATOM 0 HG21 THR A 76 -0.873 -12.437 5.273 1.00 32.01 H new ATOM 0 HG22 THR A 76 0.136 -13.172 4.005 1.00 32.01 H new ATOM 0 HG23 THR A 76 0.893 -12.218 5.303 1.00 32.01 H new ATOM 1232 N PRO A 77 0.963 -12.528 1.001 1.00 20.01 N ATOM 1233 CA PRO A 77 1.475 -13.737 0.295 1.00 13.22 C ATOM 1234 C PRO A 77 2.883 -13.524 -0.307 1.00 61.13 C ATOM 1235 O PRO A 77 3.687 -14.465 -0.359 1.00 12.24 O ATOM 1236 CB PRO A 77 0.417 -14.020 -0.807 1.00 42.20 C ATOM 1237 CG PRO A 77 -0.795 -13.257 -0.371 1.00 62.35 C ATOM 1238 CD PRO A 77 -0.265 -12.022 0.321 1.00 15.25 C ATOM 0 HA PRO A 77 1.599 -14.576 0.979 1.00 13.22 H new ATOM 0 HB2 PRO A 77 0.764 -13.687 -1.785 1.00 42.20 H new ATOM 0 HB3 PRO A 77 0.206 -15.086 -0.890 1.00 42.20 H new ATOM 0 HG2 PRO A 77 -1.420 -12.992 -1.224 1.00 62.35 H new ATOM 0 HG3 PRO A 77 -1.412 -13.851 0.303 1.00 62.35 H new ATOM 0 HD2 PRO A 77 -0.036 -11.227 -0.389 1.00 15.25 H new ATOM 0 HD3 PRO A 77 -0.984 -11.617 1.033 1.00 15.25 H new ATOM 1246 N LEU A 78 3.182 -12.273 -0.739 1.00 51.24 N ATOM 1247 CA LEU A 78 4.523 -11.920 -1.278 1.00 51.23 C ATOM 1248 C LEU A 78 5.574 -11.878 -0.149 1.00 13.55 C ATOM 1249 O LEU A 78 6.757 -12.147 -0.393 1.00 2.25 O ATOM 1250 CB LEU A 78 4.549 -10.555 -2.058 1.00 50.23 C ATOM 1251 CG LEU A 78 3.496 -10.349 -3.221 1.00 64.40 C ATOM 1252 CD1 LEU A 78 3.635 -8.964 -3.913 1.00 42.30 C ATOM 1253 CD2 LEU A 78 3.533 -11.474 -4.288 1.00 41.51 C ATOM 0 H LEU A 78 2.520 -11.497 -0.726 1.00 51.24 H new ATOM 0 HA LEU A 78 4.766 -12.706 -1.992 1.00 51.23 H new ATOM 0 HB2 LEU A 78 4.409 -9.753 -1.334 1.00 50.23 H new ATOM 0 HB3 LEU A 78 5.545 -10.431 -2.482 1.00 50.23 H new ATOM 0 HG LEU A 78 2.526 -10.393 -2.725 1.00 64.40 H new ATOM 0 HD11 LEU A 78 2.889 -8.875 -4.703 1.00 42.30 H new ATOM 0 HD12 LEU A 78 3.482 -8.173 -3.179 1.00 42.30 H new ATOM 0 HD13 LEU A 78 4.632 -8.871 -4.344 1.00 42.30 H new ATOM 0 HD21 LEU A 78 2.787 -11.272 -5.056 1.00 41.51 H new ATOM 0 HD22 LEU A 78 4.522 -11.511 -4.744 1.00 41.51 H new ATOM 0 HD23 LEU A 78 3.316 -12.432 -3.815 1.00 41.51 H new ATOM 1265 N ALA A 79 5.131 -11.522 1.075 1.00 43.13 N ATOM 1266 CA ALA A 79 5.982 -11.551 2.280 1.00 74.03 C ATOM 1267 C ALA A 79 6.345 -13.002 2.628 1.00 35.21 C ATOM 1268 O ALA A 79 7.515 -13.327 2.830 1.00 11.25 O ATOM 1269 CB ALA A 79 5.277 -10.860 3.462 1.00 14.04 C ATOM 0 H ALA A 79 4.177 -11.208 1.254 1.00 43.13 H new ATOM 0 HA ALA A 79 6.901 -11.002 2.076 1.00 74.03 H new ATOM 0 HB1 ALA A 79 5.922 -10.893 4.340 1.00 14.04 H new ATOM 0 HB2 ALA A 79 5.068 -9.822 3.204 1.00 14.04 H new ATOM 0 HB3 ALA A 79 4.342 -11.376 3.680 1.00 14.04 H new ATOM 1275 N ILE A 80 5.323 -13.879 2.598 1.00 24.42 N ATOM 1276 CA ILE A 80 5.473 -15.318 2.910 1.00 13.43 C ATOM 1277 C ILE A 80 6.371 -16.005 1.849 1.00 15.13 C ATOM 1278 O ILE A 80 7.154 -16.904 2.166 1.00 32.33 O ATOM 1279 CB ILE A 80 4.063 -16.039 2.994 1.00 4.32 C ATOM 1280 CG1 ILE A 80 3.150 -15.361 4.078 1.00 22.21 C ATOM 1281 CG2 ILE A 80 4.212 -17.566 3.262 1.00 54.14 C ATOM 1282 CD1 ILE A 80 1.712 -15.857 4.085 1.00 63.33 C ATOM 0 H ILE A 80 4.369 -13.612 2.357 1.00 24.42 H new ATOM 0 HA ILE A 80 5.950 -15.404 3.886 1.00 13.43 H new ATOM 0 HB ILE A 80 3.579 -15.926 2.024 1.00 4.32 H new ATOM 0 HG12 ILE A 80 3.586 -15.533 5.062 1.00 22.21 H new ATOM 0 HG13 ILE A 80 3.149 -14.284 3.913 1.00 22.21 H new ATOM 0 HG21 ILE A 80 3.224 -18.025 3.313 1.00 54.14 H new ATOM 0 HG22 ILE A 80 4.783 -18.023 2.454 1.00 54.14 H new ATOM 0 HG23 ILE A 80 4.733 -17.720 4.207 1.00 54.14 H new ATOM 0 HD11 ILE A 80 1.152 -15.338 4.863 1.00 63.33 H new ATOM 0 HD12 ILE A 80 1.255 -15.660 3.115 1.00 63.33 H new ATOM 0 HD13 ILE A 80 1.698 -16.929 4.282 1.00 63.33 H new ATOM 1294 N ASN A 81 6.270 -15.535 0.592 1.00 21.11 N ATOM 1295 CA ASN A 81 7.100 -16.039 -0.520 1.00 21.12 C ATOM 1296 C ASN A 81 8.474 -15.324 -0.545 1.00 54.31 C ATOM 1297 O ASN A 81 9.362 -15.723 -1.303 1.00 50.54 O ATOM 1298 CB ASN A 81 6.343 -15.890 -1.874 1.00 15.24 C ATOM 1299 CG ASN A 81 6.936 -16.754 -3.002 1.00 3.31 C ATOM 1300 OD1 ASN A 81 7.573 -17.779 -2.756 1.00 32.12 O ATOM 1301 ND2 ASN A 81 6.675 -16.400 -4.238 1.00 52.22 N ATOM 0 H ASN A 81 5.616 -14.801 0.319 1.00 21.11 H new ATOM 0 HA ASN A 81 7.290 -17.101 -0.364 1.00 21.12 H new ATOM 0 HB2 ASN A 81 5.297 -16.162 -1.729 1.00 15.24 H new ATOM 0 HB3 ASN A 81 6.361 -14.844 -2.179 1.00 15.24 H new ATOM 0 HD21 ASN A 81 7.001 -16.977 -5.013 1.00 52.22 H new ATOM 0 HD22 ASN A 81 6.146 -15.548 -4.424 1.00 52.22 H new ATOM 1308 N ARG A 82 8.616 -14.263 0.289 1.00 2.33 N ATOM 1309 CA ARG A 82 9.907 -13.590 0.568 1.00 52.40 C ATOM 1310 C ARG A 82 10.466 -12.890 -0.698 1.00 14.53 C ATOM 1311 O ARG A 82 11.577 -13.187 -1.144 1.00 73.24 O ATOM 1312 CB ARG A 82 10.963 -14.590 1.185 1.00 31.24 C ATOM 1313 CG ARG A 82 10.535 -15.305 2.500 1.00 51.31 C ATOM 1314 CD ARG A 82 11.579 -16.329 3.006 1.00 43.12 C ATOM 1315 NE ARG A 82 11.115 -17.032 4.220 1.00 71.41 N ATOM 1316 CZ ARG A 82 11.632 -18.178 4.705 1.00 31.14 C ATOM 1317 NH1 ARG A 82 12.667 -18.776 4.105 1.00 23.10 N ATOM 1318 NH2 ARG A 82 11.133 -18.707 5.814 1.00 42.53 N ATOM 0 H ARG A 82 7.830 -13.848 0.790 1.00 2.33 H new ATOM 0 HA ARG A 82 9.715 -12.818 1.313 1.00 52.40 H new ATOM 0 HB2 ARG A 82 11.193 -15.351 0.439 1.00 31.24 H new ATOM 0 HB3 ARG A 82 11.885 -14.042 1.376 1.00 31.24 H new ATOM 0 HG2 ARG A 82 10.365 -14.557 3.274 1.00 51.31 H new ATOM 0 HG3 ARG A 82 9.586 -15.815 2.336 1.00 51.31 H new ATOM 0 HD2 ARG A 82 11.784 -17.057 2.221 1.00 43.12 H new ATOM 0 HD3 ARG A 82 12.517 -15.816 3.219 1.00 43.12 H new ATOM 0 HE ARG A 82 10.339 -16.615 4.734 1.00 71.41 H new ATOM 0 HH11 ARG A 82 13.078 -18.365 3.267 1.00 23.10 H new ATOM 0 HH12 ARG A 82 13.046 -19.643 4.486 1.00 23.10 H new ATOM 0 HH21 ARG A 82 10.361 -18.247 6.296 1.00 42.53 H new ATOM 0 HH22 ARG A 82 11.521 -19.574 6.185 1.00 42.53 H new ATOM 1332 N THR A 83 9.669 -11.976 -1.286 1.00 64.15 N ATOM 1333 CA THR A 83 10.100 -11.190 -2.468 1.00 35.44 C ATOM 1334 C THR A 83 9.625 -9.720 -2.392 1.00 34.30 C ATOM 1335 O THR A 83 9.854 -8.950 -3.333 1.00 72.22 O ATOM 1336 CB THR A 83 9.610 -11.866 -3.800 1.00 25.33 C ATOM 1337 OG1 THR A 83 10.283 -11.309 -4.953 1.00 50.10 O ATOM 1338 CG2 THR A 83 8.092 -11.740 -3.980 1.00 61.42 C ATOM 0 H THR A 83 8.725 -11.761 -0.965 1.00 64.15 H new ATOM 0 HA THR A 83 11.190 -11.179 -2.466 1.00 35.44 H new ATOM 0 HB THR A 83 9.861 -12.924 -3.721 1.00 25.33 H new ATOM 0 HG1 THR A 83 10.397 -10.343 -4.831 1.00 50.10 H new ATOM 0 HG21 THR A 83 7.795 -12.220 -4.912 1.00 61.42 H new ATOM 0 HG22 THR A 83 7.585 -12.224 -3.145 1.00 61.42 H new ATOM 0 HG23 THR A 83 7.815 -10.686 -4.010 1.00 61.42 H new ATOM 1346 N LEU A 84 8.963 -9.331 -1.281 1.00 51.01 N ATOM 1347 CA LEU A 84 8.582 -7.925 -1.053 1.00 44.31 C ATOM 1348 C LEU A 84 9.859 -7.102 -0.813 1.00 52.43 C ATOM 1349 O LEU A 84 10.743 -7.548 -0.070 1.00 35.21 O ATOM 1350 CB LEU A 84 7.605 -7.804 0.159 1.00 13.52 C ATOM 1351 CG LEU A 84 7.008 -6.374 0.467 1.00 73.21 C ATOM 1352 CD1 LEU A 84 5.778 -6.049 -0.407 1.00 72.14 C ATOM 1353 CD2 LEU A 84 6.679 -6.213 1.966 1.00 71.53 C ATOM 0 H LEU A 84 8.684 -9.968 -0.534 1.00 51.01 H new ATOM 0 HA LEU A 84 8.060 -7.541 -1.929 1.00 44.31 H new ATOM 0 HB2 LEU A 84 6.773 -8.488 -0.008 1.00 13.52 H new ATOM 0 HB3 LEU A 84 8.128 -8.150 1.050 1.00 13.52 H new ATOM 0 HG LEU A 84 7.782 -5.651 0.210 1.00 73.21 H new ATOM 0 HD11 LEU A 84 5.406 -5.056 -0.156 1.00 72.14 H new ATOM 0 HD12 LEU A 84 6.062 -6.075 -1.459 1.00 72.14 H new ATOM 0 HD13 LEU A 84 4.996 -6.786 -0.224 1.00 72.14 H new ATOM 0 HD21 LEU A 84 6.270 -5.218 2.144 1.00 71.53 H new ATOM 0 HD22 LEU A 84 5.946 -6.964 2.260 1.00 71.53 H new ATOM 0 HD23 LEU A 84 7.588 -6.342 2.554 1.00 71.53 H new ATOM 1365 N ASN A 85 9.953 -5.916 -1.443 1.00 4.03 N ATOM 1366 CA ASN A 85 11.190 -5.068 -1.378 1.00 12.45 C ATOM 1367 C ASN A 85 11.451 -4.604 0.067 1.00 64.33 C ATOM 1368 O ASN A 85 12.588 -4.269 0.421 1.00 34.35 O ATOM 1369 CB ASN A 85 11.159 -3.827 -2.334 1.00 64.20 C ATOM 1370 CG ASN A 85 12.528 -3.121 -2.432 1.00 74.11 C ATOM 1371 OD1 ASN A 85 13.585 -3.742 -2.300 1.00 2.02 O ATOM 1372 ND2 ASN A 85 12.523 -1.838 -2.688 1.00 52.12 N ATOM 0 H ASN A 85 9.201 -5.513 -2.002 1.00 4.03 H new ATOM 0 HA ASN A 85 12.004 -5.706 -1.722 1.00 12.45 H new ATOM 0 HB2 ASN A 85 10.847 -4.146 -3.328 1.00 64.20 H new ATOM 0 HB3 ASN A 85 10.412 -3.117 -1.978 1.00 64.20 H new ATOM 0 HD21 ASN A 85 13.404 -1.333 -2.782 1.00 52.12 H new ATOM 0 HD22 ASN A 85 11.638 -1.342 -2.794 1.00 52.12 H new ATOM 1379 N HIS A 86 10.366 -4.545 0.874 1.00 21.15 N ATOM 1380 CA HIS A 86 10.430 -4.412 2.347 1.00 14.14 C ATOM 1381 C HIS A 86 10.856 -2.985 2.785 1.00 52.24 C ATOM 1382 O HIS A 86 10.949 -2.697 3.980 1.00 74.35 O ATOM 1383 CB HIS A 86 11.368 -5.525 2.919 1.00 35.52 C ATOM 1384 CG HIS A 86 11.511 -5.571 4.408 1.00 72.45 C ATOM 1385 ND1 HIS A 86 12.534 -4.934 5.083 1.00 54.12 N ATOM 1386 CD2 HIS A 86 10.769 -6.184 5.351 1.00 73.12 C ATOM 1387 CE1 HIS A 86 12.416 -5.165 6.371 1.00 31.55 C ATOM 1388 NE2 HIS A 86 11.355 -5.916 6.557 1.00 54.13 N ATOM 0 H HIS A 86 9.412 -4.589 0.516 1.00 21.15 H new ATOM 0 HA HIS A 86 9.433 -4.553 2.764 1.00 14.14 H new ATOM 0 HB2 HIS A 86 10.997 -6.492 2.581 1.00 35.52 H new ATOM 0 HB3 HIS A 86 12.359 -5.394 2.484 1.00 35.52 H new ATOM 0 HD2 HIS A 86 9.880 -6.775 5.186 1.00 73.12 H new ATOM 0 HE1 HIS A 86 13.077 -4.800 7.143 1.00 31.55 H new ATOM 0 HE2 HIS A 86 11.020 -6.248 7.461 1.00 54.13 H new ATOM 1397 N ASP A 87 11.072 -2.070 1.816 1.00 4.24 N ATOM 1398 CA ASP A 87 11.561 -0.703 2.116 1.00 12.52 C ATOM 1399 C ASP A 87 10.398 0.217 2.590 1.00 35.21 C ATOM 1400 O ASP A 87 10.628 1.339 3.040 1.00 41.15 O ATOM 1401 CB ASP A 87 12.365 -0.119 0.907 1.00 2.12 C ATOM 1402 CG ASP A 87 13.011 1.250 1.210 1.00 44.12 C ATOM 1403 OD1 ASP A 87 14.063 1.289 1.884 1.00 22.40 O ATOM 1404 OD2 ASP A 87 12.482 2.283 0.763 1.00 71.03 O ATOM 0 H ASP A 87 10.917 -2.250 0.824 1.00 4.24 H new ATOM 0 HA ASP A 87 12.261 -0.755 2.950 1.00 12.52 H new ATOM 0 HB2 ASP A 87 13.144 -0.826 0.622 1.00 2.12 H new ATOM 0 HB3 ASP A 87 11.698 -0.017 0.051 1.00 2.12 H new ATOM 1409 N LEU A 88 9.147 -0.300 2.553 1.00 10.01 N ATOM 1410 CA LEU A 88 7.980 0.329 3.225 1.00 52.20 C ATOM 1411 C LEU A 88 7.364 -0.689 4.194 1.00 12.24 C ATOM 1412 O LEU A 88 6.137 -0.780 4.336 1.00 14.11 O ATOM 1413 CB LEU A 88 6.901 0.912 2.244 1.00 42.22 C ATOM 1414 CG LEU A 88 6.511 0.061 0.975 1.00 32.40 C ATOM 1415 CD1 LEU A 88 5.018 0.241 0.612 1.00 53.30 C ATOM 1416 CD2 LEU A 88 7.404 0.445 -0.228 1.00 0.04 C ATOM 0 H LEU A 88 8.917 -1.162 2.059 1.00 10.01 H new ATOM 0 HA LEU A 88 8.349 1.200 3.767 1.00 52.20 H new ATOM 0 HB2 LEU A 88 5.991 1.091 2.817 1.00 42.22 H new ATOM 0 HB3 LEU A 88 7.256 1.883 1.898 1.00 42.22 H new ATOM 0 HG LEU A 88 6.674 -0.989 1.216 1.00 32.40 H new ATOM 0 HD11 LEU A 88 4.782 -0.359 -0.267 1.00 53.30 H new ATOM 0 HD12 LEU A 88 4.399 -0.082 1.449 1.00 53.30 H new ATOM 0 HD13 LEU A 88 4.820 1.291 0.398 1.00 53.30 H new ATOM 0 HD21 LEU A 88 7.122 -0.151 -1.096 1.00 0.04 H new ATOM 0 HD22 LEU A 88 7.272 1.503 -0.456 1.00 0.04 H new ATOM 0 HD23 LEU A 88 8.449 0.255 0.019 1.00 0.04 H new ATOM 1428 N SER A 89 8.245 -1.435 4.889 1.00 42.15 N ATOM 1429 CA SER A 89 7.841 -2.389 5.936 1.00 64.53 C ATOM 1430 C SER A 89 7.018 -1.691 7.044 1.00 74.24 C ATOM 1431 O SER A 89 6.114 -2.297 7.628 1.00 52.23 O ATOM 1432 CB SER A 89 9.079 -3.068 6.547 1.00 50.02 C ATOM 1433 OG SER A 89 10.011 -2.120 7.038 1.00 72.25 O ATOM 0 H SER A 89 9.253 -1.392 4.740 1.00 42.15 H new ATOM 0 HA SER A 89 7.210 -3.147 5.472 1.00 64.53 H new ATOM 0 HB2 SER A 89 8.769 -3.727 7.358 1.00 50.02 H new ATOM 0 HB3 SER A 89 9.559 -3.693 5.794 1.00 50.02 H new ATOM 0 HG SER A 89 10.783 -2.588 7.420 1.00 72.25 H new ATOM 1439 N GLU A 90 7.323 -0.396 7.291 1.00 71.24 N ATOM 1440 CA GLU A 90 6.606 0.420 8.283 1.00 44.41 C ATOM 1441 C GLU A 90 5.135 0.659 7.860 1.00 3.24 C ATOM 1442 O GLU A 90 4.282 0.790 8.717 1.00 42.21 O ATOM 1443 CB GLU A 90 7.343 1.772 8.531 1.00 4.40 C ATOM 1444 CG GLU A 90 6.706 2.655 9.634 1.00 33.22 C ATOM 1445 CD GLU A 90 7.395 4.013 9.803 1.00 65.21 C ATOM 1446 OE1 GLU A 90 8.335 4.128 10.614 1.00 35.24 O ATOM 1447 OE2 GLU A 90 6.993 4.978 9.122 1.00 11.52 O ATOM 0 H GLU A 90 8.069 0.105 6.809 1.00 71.24 H new ATOM 0 HA GLU A 90 6.594 -0.135 9.221 1.00 44.41 H new ATOM 0 HB2 GLU A 90 8.378 1.563 8.802 1.00 4.40 H new ATOM 0 HB3 GLU A 90 7.365 2.336 7.599 1.00 4.40 H new ATOM 0 HG2 GLU A 90 5.655 2.817 9.397 1.00 33.22 H new ATOM 0 HG3 GLU A 90 6.740 2.119 10.582 1.00 33.22 H new ATOM 1454 N LEU A 91 4.855 0.675 6.534 1.00 35.23 N ATOM 1455 CA LEU A 91 3.476 0.830 5.985 1.00 20.30 C ATOM 1456 C LEU A 91 2.665 -0.454 6.289 1.00 63.55 C ATOM 1457 O LEU A 91 1.476 -0.398 6.658 1.00 30.14 O ATOM 1458 CB LEU A 91 3.557 1.136 4.440 1.00 71.30 C ATOM 1459 CG LEU A 91 2.274 1.702 3.699 1.00 45.23 C ATOM 1460 CD1 LEU A 91 1.177 0.636 3.444 1.00 33.42 C ATOM 1461 CD2 LEU A 91 1.691 2.934 4.436 1.00 11.10 C ATOM 0 H LEU A 91 5.572 0.582 5.814 1.00 35.23 H new ATOM 0 HA LEU A 91 2.963 1.668 6.456 1.00 20.30 H new ATOM 0 HB2 LEU A 91 4.366 1.850 4.288 1.00 71.30 H new ATOM 0 HB3 LEU A 91 3.847 0.214 3.937 1.00 71.30 H new ATOM 0 HG LEU A 91 2.621 2.017 2.715 1.00 45.23 H new ATOM 0 HD11 LEU A 91 0.332 1.098 2.934 1.00 33.42 H new ATOM 0 HD12 LEU A 91 1.583 -0.162 2.823 1.00 33.42 H new ATOM 0 HD13 LEU A 91 0.844 0.222 4.396 1.00 33.42 H new ATOM 0 HD21 LEU A 91 0.813 3.296 3.901 1.00 11.10 H new ATOM 0 HD22 LEU A 91 1.407 2.651 5.450 1.00 11.10 H new ATOM 0 HD23 LEU A 91 2.442 3.723 4.476 1.00 11.10 H new ATOM 1473 N TYR A 92 3.355 -1.606 6.177 1.00 62.23 N ATOM 1474 CA TYR A 92 2.781 -2.926 6.471 1.00 5.32 C ATOM 1475 C TYR A 92 2.493 -3.057 7.986 1.00 54.04 C ATOM 1476 O TYR A 92 1.499 -3.667 8.389 1.00 11.43 O ATOM 1477 CB TYR A 92 3.753 -4.032 5.994 1.00 54.24 C ATOM 1478 CG TYR A 92 3.239 -5.469 6.137 1.00 50.12 C ATOM 1479 CD1 TYR A 92 2.044 -5.871 5.536 1.00 42.24 C ATOM 1480 CD2 TYR A 92 3.965 -6.434 6.845 1.00 11.22 C ATOM 1481 CE1 TYR A 92 1.594 -7.170 5.635 1.00 74.04 C ATOM 1482 CE2 TYR A 92 3.515 -7.733 6.952 1.00 53.03 C ATOM 1483 CZ TYR A 92 2.330 -8.098 6.343 1.00 53.21 C ATOM 1484 OH TYR A 92 1.891 -9.403 6.435 1.00 33.23 O ATOM 0 H TYR A 92 4.330 -1.643 5.879 1.00 62.23 H new ATOM 0 HA TYR A 92 1.837 -3.039 5.938 1.00 5.32 H new ATOM 0 HB2 TYR A 92 3.993 -3.853 4.946 1.00 54.24 H new ATOM 0 HB3 TYR A 92 4.683 -3.940 6.554 1.00 54.24 H new ATOM 0 HD1 TYR A 92 1.461 -5.150 4.983 1.00 42.24 H new ATOM 0 HD2 TYR A 92 4.896 -6.156 7.317 1.00 11.22 H new ATOM 0 HE1 TYR A 92 0.669 -7.461 5.160 1.00 74.04 H new ATOM 0 HE2 TYR A 92 4.086 -8.461 7.509 1.00 53.03 H new ATOM 0 HH TYR A 92 1.140 -9.540 5.820 1.00 33.23 H new ATOM 1494 N LYS A 93 3.379 -2.443 8.806 1.00 61.15 N ATOM 1495 CA LYS A 93 3.235 -2.380 10.275 1.00 35.42 C ATOM 1496 C LYS A 93 2.154 -1.356 10.663 1.00 23.45 C ATOM 1497 O LYS A 93 1.465 -1.518 11.664 1.00 61.02 O ATOM 1498 CB LYS A 93 4.601 -1.999 10.926 1.00 72.45 C ATOM 1499 CG LYS A 93 4.611 -2.009 12.475 1.00 13.24 C ATOM 1500 CD LYS A 93 5.998 -1.678 13.071 1.00 35.33 C ATOM 1501 CE LYS A 93 6.462 -0.240 12.775 1.00 50.23 C ATOM 1502 NZ LYS A 93 5.553 0.783 13.354 1.00 51.15 N ATOM 0 H LYS A 93 4.218 -1.976 8.462 1.00 61.15 H new ATOM 0 HA LYS A 93 2.930 -3.360 10.642 1.00 35.42 H new ATOM 0 HB2 LYS A 93 5.363 -2.691 10.568 1.00 72.45 H new ATOM 0 HB3 LYS A 93 4.886 -1.005 10.582 1.00 72.45 H new ATOM 0 HG2 LYS A 93 3.882 -1.287 12.842 1.00 13.24 H new ATOM 0 HG3 LYS A 93 4.294 -2.990 12.829 1.00 13.24 H new ATOM 0 HD2 LYS A 93 5.967 -1.827 14.150 1.00 35.33 H new ATOM 0 HD3 LYS A 93 6.733 -2.378 12.674 1.00 35.33 H new ATOM 0 HE2 LYS A 93 7.466 -0.096 13.174 1.00 50.23 H new ATOM 0 HE3 LYS A 93 6.524 -0.097 11.696 1.00 50.23 H new ATOM 0 HZ1 LYS A 93 5.970 1.728 13.230 1.00 51.15 H new ATOM 0 HZ2 LYS A 93 4.633 0.744 12.870 1.00 51.15 H new ATOM 0 HZ3 LYS A 93 5.419 0.594 14.368 1.00 51.15 H new ATOM 1516 N PHE A 94 2.013 -0.324 9.822 1.00 44.44 N ATOM 1517 CA PHE A 94 1.098 0.812 10.028 1.00 53.34 C ATOM 1518 C PHE A 94 -0.367 0.345 9.992 1.00 63.12 C ATOM 1519 O PHE A 94 -1.119 0.573 10.951 1.00 1.44 O ATOM 1520 CB PHE A 94 1.407 1.884 8.940 1.00 54.42 C ATOM 1521 CG PHE A 94 0.673 3.210 9.032 1.00 33.34 C ATOM 1522 CD1 PHE A 94 -0.509 3.432 8.323 1.00 41.12 C ATOM 1523 CD2 PHE A 94 1.185 4.254 9.801 1.00 51.14 C ATOM 1524 CE1 PHE A 94 -1.142 4.653 8.378 1.00 44.22 C ATOM 1525 CE2 PHE A 94 0.546 5.470 9.856 1.00 2.54 C ATOM 1526 CZ PHE A 94 -0.620 5.668 9.148 1.00 61.42 C ATOM 0 H PHE A 94 2.545 -0.252 8.955 1.00 44.44 H new ATOM 0 HA PHE A 94 1.250 1.254 11.013 1.00 53.34 H new ATOM 0 HB2 PHE A 94 2.477 2.090 8.965 1.00 54.42 H new ATOM 0 HB3 PHE A 94 1.190 1.446 7.966 1.00 54.42 H new ATOM 0 HD1 PHE A 94 -0.931 2.638 7.725 1.00 41.12 H new ATOM 0 HD2 PHE A 94 2.096 4.105 10.361 1.00 51.14 H new ATOM 0 HE1 PHE A 94 -2.050 4.815 7.816 1.00 44.22 H new ATOM 0 HE2 PHE A 94 0.957 6.270 10.454 1.00 2.54 H new ATOM 0 HZ PHE A 94 -1.125 6.621 9.197 1.00 61.42 H new ATOM 1536 N ILE A 95 -0.747 -0.389 8.917 1.00 75.31 N ATOM 1537 CA ILE A 95 -2.154 -0.848 8.735 1.00 24.25 C ATOM 1538 C ILE A 95 -2.544 -1.985 9.726 1.00 63.53 C ATOM 1539 O ILE A 95 -3.711 -2.397 9.776 1.00 41.33 O ATOM 1540 CB ILE A 95 -2.482 -1.242 7.233 1.00 51.55 C ATOM 1541 CG1 ILE A 95 -1.922 -2.655 6.823 1.00 34.44 C ATOM 1542 CG2 ILE A 95 -2.023 -0.119 6.265 1.00 13.44 C ATOM 1543 CD1 ILE A 95 -1.982 -2.965 5.330 1.00 4.42 C ATOM 0 H ILE A 95 -0.112 -0.674 8.171 1.00 75.31 H new ATOM 0 HA ILE A 95 -2.778 0.012 8.977 1.00 24.25 H new ATOM 0 HB ILE A 95 -3.565 -1.336 7.154 1.00 51.55 H new ATOM 0 HG12 ILE A 95 -0.885 -2.728 7.152 1.00 34.44 H new ATOM 0 HG13 ILE A 95 -2.482 -3.421 7.360 1.00 34.44 H new ATOM 0 HG21 ILE A 95 -2.255 -0.405 5.239 1.00 13.44 H new ATOM 0 HG22 ILE A 95 -2.543 0.807 6.510 1.00 13.44 H new ATOM 0 HG23 ILE A 95 -0.948 0.031 6.365 1.00 13.44 H new ATOM 0 HD11 ILE A 95 -1.574 -3.959 5.148 1.00 4.42 H new ATOM 0 HD12 ILE A 95 -3.018 -2.931 4.993 1.00 4.42 H new ATOM 0 HD13 ILE A 95 -1.397 -2.227 4.781 1.00 4.42 H new ATOM 1555 N THR A 96 -1.561 -2.463 10.526 1.00 2.33 N ATOM 1556 CA THR A 96 -1.780 -3.478 11.580 1.00 2.41 C ATOM 1557 C THR A 96 -1.570 -2.880 12.983 1.00 15.11 C ATOM 1558 O THR A 96 -2.000 -3.480 13.977 1.00 53.40 O ATOM 1559 CB THR A 96 -0.826 -4.714 11.405 1.00 45.02 C ATOM 1560 OG1 THR A 96 0.500 -4.271 11.092 1.00 71.05 O ATOM 1561 CG2 THR A 96 -1.298 -5.689 10.320 1.00 51.35 C ATOM 0 H THR A 96 -0.592 -2.153 10.457 1.00 2.33 H new ATOM 0 HA THR A 96 -2.813 -3.811 11.479 1.00 2.41 H new ATOM 0 HB THR A 96 -0.838 -5.250 12.354 1.00 45.02 H new ATOM 0 HG1 THR A 96 0.586 -4.157 10.123 1.00 71.05 H new ATOM 0 HG21 THR A 96 -0.597 -6.521 10.248 1.00 51.35 H new ATOM 0 HG22 THR A 96 -2.287 -6.069 10.577 1.00 51.35 H new ATOM 0 HG23 THR A 96 -1.347 -5.171 9.362 1.00 51.35 H new