USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 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= 0.189 K(o=0.63,f=-0.6) USER MOD Set 1.2: A 89 SER OG : rot 148:sc= 0.445 USER MOD Set 2.1: A 76 THR OG1 : rot 100:sc= 1.85 USER MOD Set 2.2: A 92 TYR OH : rot -171:sc= 0.477 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -177:sc= -0.022 (180deg=-0.0417) USER MOD Single : A 37 THR OG1 : rot 77:sc= 0.696 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.692 K(o=-0.69,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0502 K(o=-0.05,f=-1.5!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= -0.0177 (180deg=-0.203) USER MOD Single : A 60 ASN : amide:sc=-0.00501 K(o=-0.005,f=-1.5!) USER MOD Single : A 61 SER OG : rot -16:sc= 0.0406 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -148:sc= 0.882 (180deg=-0.322) USER MOD Single : A 70 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.1) USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0231) USER MOD Single : A 81 ASN : amide:sc= -0.0183 K(o=-0.018,f=-1.7!) USER MOD Single : A 83 THR OG1 : rot -44:sc= 0.0841 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -104:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -5.738 8.417 7.591 1.00 62.21 N ATOM 437 CA GLU A 28 -5.690 8.519 6.128 1.00 23.24 C ATOM 438 C GLU A 28 -4.449 9.311 5.698 1.00 41.53 C ATOM 439 O GLU A 28 -3.779 8.917 4.758 1.00 2.13 O ATOM 440 CB GLU A 28 -6.961 9.157 5.536 1.00 73.32 C ATOM 441 CG GLU A 28 -6.907 9.348 3.988 1.00 65.24 C ATOM 442 CD GLU A 28 -8.180 9.920 3.349 1.00 11.52 C ATOM 443 OE1 GLU A 28 -9.263 9.899 3.981 1.00 23.04 O ATOM 444 OE2 GLU A 28 -8.097 10.386 2.189 1.00 54.31 O ATOM 0 HA GLU A 28 -5.633 7.504 5.736 1.00 23.24 H new ATOM 0 HB2 GLU A 28 -7.820 8.534 5.786 1.00 73.32 H new ATOM 0 HB3 GLU A 28 -7.123 10.127 6.007 1.00 73.32 H new ATOM 0 HG2 GLU A 28 -6.073 10.008 3.750 1.00 65.24 H new ATOM 0 HG3 GLU A 28 -6.692 8.384 3.528 1.00 65.24 H new ATOM 451 N ASN A 29 -4.134 10.397 6.438 1.00 63.04 N ATOM 452 CA ASN A 29 -2.959 11.258 6.166 1.00 12.41 C ATOM 453 C ASN A 29 -1.664 10.424 6.236 1.00 55.02 C ATOM 454 O ASN A 29 -0.754 10.607 5.417 1.00 51.30 O ATOM 455 CB ASN A 29 -2.885 12.488 7.139 1.00 70.45 C ATOM 456 CG ASN A 29 -3.781 13.668 6.744 1.00 61.44 C ATOM 457 OD1 ASN A 29 -4.791 13.514 6.071 1.00 74.13 O ATOM 458 ND2 ASN A 29 -3.419 14.859 7.174 1.00 51.12 N ATOM 0 H ASN A 29 -4.686 10.702 7.240 1.00 63.04 H new ATOM 0 HA ASN A 29 -3.071 11.660 5.159 1.00 12.41 H new ATOM 0 HB2 ASN A 29 -3.160 12.159 8.141 1.00 70.45 H new ATOM 0 HB3 ASN A 29 -1.852 12.833 7.189 1.00 70.45 H new ATOM 0 HD21 ASN A 29 -3.985 15.677 6.947 1.00 51.12 H new ATOM 0 HD22 ASN A 29 -2.573 14.964 7.734 1.00 51.12 H new ATOM 465 N GLU A 30 -1.625 9.474 7.193 1.00 44.31 N ATOM 466 CA GLU A 30 -0.477 8.563 7.364 1.00 43.22 C ATOM 467 C GLU A 30 -0.379 7.585 6.174 1.00 41.40 C ATOM 468 O GLU A 30 0.639 7.583 5.484 1.00 64.54 O ATOM 469 CB GLU A 30 -0.539 7.813 8.730 1.00 24.34 C ATOM 470 CG GLU A 30 -0.105 8.653 9.957 1.00 50.41 C ATOM 471 CD GLU A 30 1.344 9.182 9.846 1.00 31.25 C ATOM 472 OE1 GLU A 30 1.548 10.344 9.427 1.00 20.02 O ATOM 473 OE2 GLU A 30 2.288 8.430 10.161 1.00 62.54 O ATOM 0 H GLU A 30 -2.380 9.318 7.861 1.00 44.31 H new ATOM 0 HA GLU A 30 0.433 9.163 7.377 1.00 43.22 H new ATOM 0 HB2 GLU A 30 -1.559 7.464 8.890 1.00 24.34 H new ATOM 0 HB3 GLU A 30 0.095 6.928 8.671 1.00 24.34 H new ATOM 0 HG2 GLU A 30 -0.786 9.496 10.072 1.00 50.41 H new ATOM 0 HG3 GLU A 30 -0.196 8.045 10.857 1.00 50.41 H new ATOM 480 N LEU A 31 -1.472 6.835 5.890 1.00 44.22 N ATOM 481 CA LEU A 31 -1.483 5.797 4.783 1.00 41.11 C ATOM 482 C LEU A 31 -1.114 6.465 3.452 1.00 72.02 C ATOM 483 O LEU A 31 -0.349 5.917 2.650 1.00 1.14 O ATOM 484 CB LEU A 31 -2.870 5.019 4.647 1.00 33.23 C ATOM 485 CG LEU A 31 -2.985 3.912 3.480 1.00 42.51 C ATOM 486 CD1 LEU A 31 -3.963 2.746 3.812 1.00 33.20 C ATOM 487 CD2 LEU A 31 -3.387 4.504 2.090 1.00 74.02 C ATOM 0 H LEU A 31 -2.355 6.913 6.394 1.00 44.22 H new ATOM 0 HA LEU A 31 -0.742 5.043 5.049 1.00 41.11 H new ATOM 0 HB2 LEU A 31 -3.077 4.529 5.598 1.00 33.23 H new ATOM 0 HB3 LEU A 31 -3.657 5.757 4.491 1.00 33.23 H new ATOM 0 HG LEU A 31 -1.971 3.517 3.421 1.00 42.51 H new ATOM 0 HD11 LEU A 31 -3.986 2.043 2.980 1.00 33.20 H new ATOM 0 HD12 LEU A 31 -3.625 2.232 4.712 1.00 33.20 H new ATOM 0 HD13 LEU A 31 -4.963 3.146 3.977 1.00 33.20 H new ATOM 0 HD21 LEU A 31 -3.445 3.701 1.355 1.00 74.02 H new ATOM 0 HD22 LEU A 31 -4.358 4.993 2.170 1.00 74.02 H new ATOM 0 HD23 LEU A 31 -2.639 5.231 1.774 1.00 74.02 H new ATOM 499 N ARG A 32 -1.633 7.685 3.273 1.00 61.13 N ATOM 500 CA ARG A 32 -1.559 8.419 2.015 1.00 14.40 C ATOM 501 C ARG A 32 -0.147 9.007 1.829 1.00 21.35 C ATOM 502 O ARG A 32 0.364 9.052 0.702 1.00 52.41 O ATOM 503 CB ARG A 32 -2.683 9.494 1.973 1.00 15.23 C ATOM 504 CG ARG A 32 -3.208 9.809 0.567 1.00 45.44 C ATOM 505 CD ARG A 32 -4.599 10.451 0.561 1.00 61.41 C ATOM 506 NE ARG A 32 -5.088 10.637 -0.813 1.00 32.10 N ATOM 507 CZ ARG A 32 -6.303 10.295 -1.270 1.00 4.35 C ATOM 508 NH1 ARG A 32 -7.217 9.751 -0.466 1.00 44.45 N ATOM 509 NH2 ARG A 32 -6.605 10.526 -2.528 1.00 4.41 N ATOM 0 H ARG A 32 -2.122 8.193 4.011 1.00 61.13 H new ATOM 0 HA ARG A 32 -1.728 7.748 1.173 1.00 14.40 H new ATOM 0 HB2 ARG A 32 -3.515 9.156 2.591 1.00 15.23 H new ATOM 0 HB3 ARG A 32 -2.306 10.413 2.421 1.00 15.23 H new ATOM 0 HG2 ARG A 32 -2.506 10.477 0.068 1.00 45.44 H new ATOM 0 HG3 ARG A 32 -3.240 8.888 -0.015 1.00 45.44 H new ATOM 0 HD2 ARG A 32 -5.295 9.823 1.117 1.00 61.41 H new ATOM 0 HD3 ARG A 32 -4.561 11.414 1.071 1.00 61.41 H new ATOM 0 HE ARG A 32 -4.446 11.065 -1.480 1.00 32.10 H new ATOM 0 HH11 ARG A 32 -6.999 9.587 0.517 1.00 44.45 H new ATOM 0 HH12 ARG A 32 -8.134 9.499 -0.834 1.00 44.45 H new ATOM 0 HH21 ARG A 32 -5.919 10.961 -3.146 1.00 4.41 H new ATOM 0 HH22 ARG A 32 -7.525 10.271 -2.887 1.00 4.41 H new ATOM 523 N SER A 33 0.496 9.409 2.955 1.00 43.24 N ATOM 524 CA SER A 33 1.870 9.936 2.951 1.00 52.15 C ATOM 525 C SER A 33 2.868 8.814 2.613 1.00 60.22 C ATOM 526 O SER A 33 3.760 9.017 1.778 1.00 12.14 O ATOM 527 CB SER A 33 2.209 10.584 4.310 1.00 24.52 C ATOM 528 OG SER A 33 3.466 11.248 4.281 1.00 2.11 O ATOM 0 H SER A 33 0.073 9.374 3.882 1.00 43.24 H new ATOM 0 HA SER A 33 1.946 10.707 2.184 1.00 52.15 H new ATOM 0 HB2 SER A 33 1.428 11.296 4.578 1.00 24.52 H new ATOM 0 HB3 SER A 33 2.221 9.818 5.085 1.00 24.52 H new ATOM 0 HG SER A 33 3.646 11.647 5.158 1.00 2.11 H new ATOM 534 N MET A 34 2.708 7.629 3.269 1.00 11.23 N ATOM 535 CA MET A 34 3.507 6.415 2.949 1.00 73.31 C ATOM 536 C MET A 34 3.360 6.060 1.461 1.00 70.13 C ATOM 537 O MET A 34 4.349 5.756 0.798 1.00 3.12 O ATOM 538 CB MET A 34 3.089 5.160 3.796 1.00 70.32 C ATOM 539 CG MET A 34 3.581 5.090 5.254 1.00 71.21 C ATOM 540 SD MET A 34 2.949 6.419 6.296 1.00 22.12 S ATOM 541 CE MET A 34 2.765 5.593 7.884 1.00 15.45 C ATOM 0 H MET A 34 2.033 7.492 4.021 1.00 11.23 H new ATOM 0 HA MET A 34 4.540 6.661 3.195 1.00 73.31 H new ATOM 0 HB2 MET A 34 2.000 5.108 3.806 1.00 70.32 H new ATOM 0 HB3 MET A 34 3.446 4.270 3.277 1.00 70.32 H new ATOM 0 HG2 MET A 34 3.285 4.132 5.682 1.00 71.21 H new ATOM 0 HG3 MET A 34 4.671 5.120 5.262 1.00 71.21 H new ATOM 0 HE1 MET A 34 2.332 6.285 8.606 1.00 15.45 H new ATOM 0 HE2 MET A 34 2.110 4.729 7.771 1.00 15.45 H new ATOM 0 HE3 MET A 34 3.742 5.263 8.238 1.00 15.45 H new ATOM 551 N LEU A 35 2.109 6.111 0.964 1.00 51.41 N ATOM 552 CA LEU A 35 1.773 5.698 -0.426 1.00 45.22 C ATOM 553 C LEU A 35 2.435 6.656 -1.438 1.00 10.11 C ATOM 554 O LEU A 35 2.946 6.218 -2.467 1.00 73.21 O ATOM 555 CB LEU A 35 0.209 5.592 -0.635 1.00 22.45 C ATOM 556 CG LEU A 35 -0.337 4.986 -1.993 1.00 22.15 C ATOM 557 CD1 LEU A 35 -1.678 4.237 -1.800 1.00 60.42 C ATOM 558 CD2 LEU A 35 -0.519 6.080 -3.075 1.00 53.24 C ATOM 0 H LEU A 35 1.306 6.435 1.503 1.00 51.41 H new ATOM 0 HA LEU A 35 2.174 4.700 -0.601 1.00 45.22 H new ATOM 0 HB2 LEU A 35 -0.194 4.991 0.181 1.00 22.45 H new ATOM 0 HB3 LEU A 35 -0.207 6.594 -0.529 1.00 22.45 H new ATOM 0 HG LEU A 35 0.416 4.273 -2.327 1.00 22.15 H new ATOM 0 HD11 LEU A 35 -2.013 3.839 -2.758 1.00 60.42 H new ATOM 0 HD12 LEU A 35 -1.539 3.417 -1.095 1.00 60.42 H new ATOM 0 HD13 LEU A 35 -2.427 4.927 -1.411 1.00 60.42 H new ATOM 0 HD21 LEU A 35 -0.895 5.626 -3.992 1.00 53.24 H new ATOM 0 HD22 LEU A 35 -1.230 6.826 -2.722 1.00 53.24 H new ATOM 0 HD23 LEU A 35 0.440 6.558 -3.274 1.00 53.24 H new ATOM 570 N ALA A 36 2.458 7.962 -1.103 1.00 42.42 N ATOM 571 CA ALA A 36 3.053 9.001 -1.970 1.00 45.32 C ATOM 572 C ALA A 36 4.575 8.811 -2.076 1.00 41.42 C ATOM 573 O ALA A 36 5.143 8.836 -3.177 1.00 42.24 O ATOM 574 CB ALA A 36 2.720 10.388 -1.421 1.00 5.41 C ATOM 0 H ALA A 36 2.069 8.324 -0.233 1.00 42.42 H new ATOM 0 HA ALA A 36 2.631 8.908 -2.971 1.00 45.32 H new ATOM 0 HB1 ALA A 36 3.161 11.149 -2.064 1.00 5.41 H new ATOM 0 HB2 ALA A 36 1.638 10.518 -1.394 1.00 5.41 H new ATOM 0 HB3 ALA A 36 3.123 10.487 -0.413 1.00 5.41 H new ATOM 580 N THR A 37 5.205 8.601 -0.907 1.00 23.11 N ATOM 581 CA THR A 37 6.643 8.323 -0.783 1.00 63.34 C ATOM 582 C THR A 37 7.016 7.033 -1.544 1.00 72.40 C ATOM 583 O THR A 37 8.056 6.970 -2.202 1.00 22.43 O ATOM 584 CB THR A 37 7.032 8.195 0.728 1.00 55.22 C ATOM 585 OG1 THR A 37 6.630 9.381 1.421 1.00 33.23 O ATOM 586 CG2 THR A 37 8.536 7.970 0.946 1.00 63.22 C ATOM 0 H THR A 37 4.721 8.620 -0.010 1.00 23.11 H new ATOM 0 HA THR A 37 7.198 9.151 -1.224 1.00 63.34 H new ATOM 0 HB THR A 37 6.516 7.318 1.117 1.00 55.22 H new ATOM 0 HG1 THR A 37 5.662 9.359 1.573 1.00 33.23 H new ATOM 0 HG21 THR A 37 8.741 7.890 2.014 1.00 63.22 H new ATOM 0 HG22 THR A 37 8.842 7.050 0.447 1.00 63.22 H new ATOM 0 HG23 THR A 37 9.093 8.810 0.532 1.00 63.22 H new ATOM 594 N ALA A 38 6.105 6.052 -1.486 1.00 4.42 N ATOM 595 CA ALA A 38 6.290 4.715 -2.066 1.00 13.45 C ATOM 596 C ALA A 38 6.264 4.737 -3.600 1.00 41.51 C ATOM 597 O ALA A 38 7.039 4.026 -4.243 1.00 13.43 O ATOM 598 CB ALA A 38 5.214 3.782 -1.530 1.00 62.15 C ATOM 0 H ALA A 38 5.202 6.168 -1.026 1.00 4.42 H new ATOM 0 HA ALA A 38 7.276 4.354 -1.773 1.00 13.45 H new ATOM 0 HB1 ALA A 38 5.348 2.789 -1.958 1.00 62.15 H new ATOM 0 HB2 ALA A 38 5.292 3.723 -0.444 1.00 62.15 H new ATOM 0 HB3 ALA A 38 4.231 4.165 -1.803 1.00 62.15 H new ATOM 604 N LEU A 39 5.362 5.556 -4.178 1.00 72.01 N ATOM 605 CA LEU A 39 5.290 5.740 -5.652 1.00 43.13 C ATOM 606 C LEU A 39 6.544 6.504 -6.154 1.00 64.02 C ATOM 607 O LEU A 39 6.896 6.412 -7.332 1.00 51.14 O ATOM 608 CB LEU A 39 3.969 6.478 -6.107 1.00 23.33 C ATOM 609 CG LEU A 39 2.631 5.667 -6.397 1.00 72.31 C ATOM 610 CD1 LEU A 39 2.710 4.706 -7.613 1.00 72.40 C ATOM 611 CD2 LEU A 39 2.076 4.946 -5.161 1.00 24.32 C ATOM 0 H LEU A 39 4.675 6.100 -3.655 1.00 72.01 H new ATOM 0 HA LEU A 39 5.266 4.748 -6.103 1.00 43.13 H new ATOM 0 HB2 LEU A 39 3.735 7.214 -5.338 1.00 23.33 H new ATOM 0 HB3 LEU A 39 4.210 7.031 -7.015 1.00 23.33 H new ATOM 0 HG LEU A 39 1.919 6.445 -6.671 1.00 72.31 H new ATOM 0 HD11 LEU A 39 1.755 4.196 -7.736 1.00 72.40 H new ATOM 0 HD12 LEU A 39 2.935 5.277 -8.514 1.00 72.40 H new ATOM 0 HD13 LEU A 39 3.496 3.970 -7.444 1.00 72.40 H new ATOM 0 HD21 LEU A 39 1.164 4.413 -5.430 1.00 24.32 H new ATOM 0 HD22 LEU A 39 2.816 4.236 -4.791 1.00 24.32 H new ATOM 0 HD23 LEU A 39 1.854 5.676 -4.383 1.00 24.32 H new ATOM 623 N GLU A 40 7.208 7.268 -5.257 1.00 34.23 N ATOM 624 CA GLU A 40 8.492 7.927 -5.569 1.00 31.41 C ATOM 625 C GLU A 40 9.670 6.950 -5.382 1.00 63.25 C ATOM 626 O GLU A 40 10.707 7.096 -6.041 1.00 20.24 O ATOM 627 CB GLU A 40 8.689 9.203 -4.710 1.00 44.23 C ATOM 628 CG GLU A 40 7.648 10.308 -4.970 1.00 3.34 C ATOM 629 CD GLU A 40 7.639 10.827 -6.428 1.00 13.40 C ATOM 630 OE1 GLU A 40 6.855 10.313 -7.251 1.00 63.21 O ATOM 631 OE2 GLU A 40 8.425 11.744 -6.752 1.00 3.40 O ATOM 0 H GLU A 40 6.873 7.442 -4.310 1.00 34.23 H new ATOM 0 HA GLU A 40 8.467 8.231 -6.616 1.00 31.41 H new ATOM 0 HB2 GLU A 40 8.653 8.927 -3.656 1.00 44.23 H new ATOM 0 HB3 GLU A 40 9.684 9.605 -4.900 1.00 44.23 H new ATOM 0 HG2 GLU A 40 6.657 9.926 -4.724 1.00 3.34 H new ATOM 0 HG3 GLU A 40 7.843 11.144 -4.298 1.00 3.34 H new ATOM 638 N LYS A 41 9.512 5.961 -4.471 1.00 21.41 N ATOM 639 CA LYS A 41 10.512 4.894 -4.286 1.00 3.34 C ATOM 640 C LYS A 41 10.453 3.910 -5.459 1.00 31.34 C ATOM 641 O LYS A 41 9.403 3.759 -6.109 1.00 21.12 O ATOM 642 CB LYS A 41 10.300 4.134 -2.943 1.00 60.41 C ATOM 643 CG LYS A 41 10.523 4.982 -1.661 1.00 23.21 C ATOM 644 CD LYS A 41 11.967 5.628 -1.620 1.00 52.52 C ATOM 645 CE LYS A 41 12.364 6.451 -0.346 1.00 61.34 C ATOM 646 NZ LYS A 41 13.712 7.063 -0.498 1.00 13.43 N ATOM 0 H LYS A 41 8.702 5.884 -3.856 1.00 21.41 H new ATOM 0 HA LYS A 41 11.496 5.362 -4.253 1.00 3.34 H new ATOM 0 HB2 LYS A 41 9.285 3.737 -2.925 1.00 60.41 H new ATOM 0 HB3 LYS A 41 10.977 3.280 -2.917 1.00 60.41 H new ATOM 0 HG2 LYS A 41 9.772 5.770 -1.613 1.00 23.21 H new ATOM 0 HG3 LYS A 41 10.382 4.353 -0.782 1.00 23.21 H new ATOM 0 HD2 LYS A 41 12.696 4.827 -1.742 1.00 52.52 H new ATOM 0 HD3 LYS A 41 12.066 6.283 -2.486 1.00 52.52 H new ATOM 0 HE2 LYS A 41 11.625 7.233 -0.170 1.00 61.34 H new ATOM 0 HE3 LYS A 41 12.354 5.800 0.528 1.00 61.34 H new ATOM 0 HZ1 LYS A 41 13.948 7.601 0.360 1.00 13.43 H new ATOM 0 HZ2 LYS A 41 14.419 6.314 -0.642 1.00 13.43 H new ATOM 0 HZ3 LYS A 41 13.713 7.702 -1.318 1.00 13.43 H new ATOM 660 N ASP A 42 11.594 3.258 -5.729 1.00 74.41 N ATOM 661 CA ASP A 42 11.686 2.209 -6.748 1.00 4.22 C ATOM 662 C ASP A 42 10.855 1.001 -6.309 1.00 13.40 C ATOM 663 O ASP A 42 11.246 0.264 -5.399 1.00 64.33 O ATOM 664 CB ASP A 42 13.156 1.789 -6.982 1.00 1.35 C ATOM 665 CG ASP A 42 14.073 2.964 -7.359 1.00 60.54 C ATOM 666 OD1 ASP A 42 14.053 3.406 -8.528 1.00 4.31 O ATOM 667 OD2 ASP A 42 14.816 3.464 -6.476 1.00 53.14 O ATOM 0 H ASP A 42 12.474 3.444 -5.248 1.00 74.41 H new ATOM 0 HA ASP A 42 11.296 2.599 -7.688 1.00 4.22 H new ATOM 0 HB2 ASP A 42 13.539 1.314 -6.079 1.00 1.35 H new ATOM 0 HB3 ASP A 42 13.191 1.041 -7.774 1.00 1.35 H new ATOM 672 N ILE A 43 9.669 0.868 -6.899 1.00 13.21 N ATOM 673 CA ILE A 43 8.780 -0.278 -6.681 1.00 54.23 C ATOM 674 C ILE A 43 8.633 -1.048 -8.010 1.00 2.44 C ATOM 675 O ILE A 43 8.274 -0.475 -9.046 1.00 2.11 O ATOM 676 CB ILE A 43 7.388 0.166 -6.074 1.00 3.41 C ATOM 677 CG1 ILE A 43 6.657 1.212 -6.971 1.00 65.53 C ATOM 678 CG2 ILE A 43 7.571 0.724 -4.639 1.00 34.22 C ATOM 679 CD1 ILE A 43 5.326 1.698 -6.421 1.00 10.12 C ATOM 0 H ILE A 43 9.292 1.558 -7.549 1.00 13.21 H new ATOM 0 HA ILE A 43 9.217 -0.945 -5.938 1.00 54.23 H new ATOM 0 HB ILE A 43 6.760 -0.724 -6.035 1.00 3.41 H new ATOM 0 HG12 ILE A 43 7.312 2.071 -7.112 1.00 65.53 H new ATOM 0 HG13 ILE A 43 6.490 0.774 -7.955 1.00 65.53 H new ATOM 0 HG21 ILE A 43 6.602 1.024 -4.239 1.00 34.22 H new ATOM 0 HG22 ILE A 43 8.004 -0.047 -4.001 1.00 34.22 H new ATOM 0 HG23 ILE A 43 8.235 1.588 -4.666 1.00 34.22 H new ATOM 0 HD11 ILE A 43 4.890 2.422 -7.110 1.00 10.12 H new ATOM 0 HD12 ILE A 43 4.649 0.852 -6.307 1.00 10.12 H new ATOM 0 HD13 ILE A 43 5.484 2.170 -5.451 1.00 10.12 H new ATOM 691 N SER A 44 8.974 -2.344 -7.954 1.00 71.12 N ATOM 692 CA SER A 44 8.983 -3.271 -9.119 1.00 43.35 C ATOM 693 C SER A 44 7.543 -3.495 -9.616 1.00 21.32 C ATOM 694 O SER A 44 6.610 -3.241 -8.850 1.00 52.43 O ATOM 695 CB SER A 44 9.648 -4.627 -8.691 1.00 10.34 C ATOM 696 OG SER A 44 10.890 -4.403 -8.056 1.00 54.22 O ATOM 0 H SER A 44 9.259 -2.796 -7.085 1.00 71.12 H new ATOM 0 HA SER A 44 9.561 -2.839 -9.936 1.00 43.35 H new ATOM 0 HB2 SER A 44 8.982 -5.166 -8.016 1.00 10.34 H new ATOM 0 HB3 SER A 44 9.792 -5.258 -9.568 1.00 10.34 H new ATOM 0 HG SER A 44 11.285 -5.262 -7.797 1.00 54.22 H new ATOM 702 N GLN A 45 7.365 -3.943 -10.895 1.00 72.34 N ATOM 703 CA GLN A 45 6.047 -4.316 -11.480 1.00 2.12 C ATOM 704 C GLN A 45 5.127 -5.043 -10.461 1.00 4.14 C ATOM 705 O GLN A 45 3.918 -4.778 -10.426 1.00 43.34 O ATOM 706 CB GLN A 45 6.284 -5.167 -12.771 1.00 44.35 C ATOM 707 CG GLN A 45 5.010 -5.571 -13.559 1.00 14.02 C ATOM 708 CD GLN A 45 5.297 -6.313 -14.878 1.00 33.43 C ATOM 709 OE1 GLN A 45 4.521 -7.174 -15.307 1.00 72.54 O ATOM 710 NE2 GLN A 45 6.378 -5.955 -15.560 1.00 24.40 N ATOM 0 H GLN A 45 8.139 -4.055 -11.550 1.00 72.34 H new ATOM 0 HA GLN A 45 5.515 -3.403 -11.748 1.00 2.12 H new ATOM 0 HB2 GLN A 45 6.938 -4.605 -13.438 1.00 44.35 H new ATOM 0 HB3 GLN A 45 6.818 -6.075 -12.491 1.00 44.35 H new ATOM 0 HG2 GLN A 45 4.389 -6.205 -12.925 1.00 14.02 H new ATOM 0 HG3 GLN A 45 4.431 -4.674 -13.778 1.00 14.02 H new ATOM 0 HE21 GLN A 45 7.004 -5.242 -15.186 1.00 24.40 H new ATOM 0 HE22 GLN A 45 6.583 -6.393 -16.458 1.00 24.40 H new ATOM 719 N GLU A 46 5.734 -5.902 -9.602 1.00 32.01 N ATOM 720 CA GLU A 46 5.050 -6.624 -8.510 1.00 51.23 C ATOM 721 C GLU A 46 4.249 -5.673 -7.564 1.00 10.30 C ATOM 722 O GLU A 46 3.034 -5.799 -7.434 1.00 35.43 O ATOM 723 CB GLU A 46 6.076 -7.501 -7.707 1.00 10.13 C ATOM 724 CG GLU A 46 7.085 -6.760 -6.780 1.00 55.54 C ATOM 725 CD GLU A 46 8.140 -7.675 -6.156 1.00 21.31 C ATOM 726 OE1 GLU A 46 9.264 -7.755 -6.701 1.00 72.31 O ATOM 727 OE2 GLU A 46 7.858 -8.324 -5.125 1.00 41.25 O ATOM 0 H GLU A 46 6.731 -6.112 -9.654 1.00 32.01 H new ATOM 0 HA GLU A 46 4.313 -7.282 -8.971 1.00 51.23 H new ATOM 0 HB2 GLU A 46 5.511 -8.204 -7.095 1.00 10.13 H new ATOM 0 HB3 GLU A 46 6.648 -8.090 -8.424 1.00 10.13 H new ATOM 0 HG2 GLU A 46 7.587 -5.982 -7.355 1.00 55.54 H new ATOM 0 HG3 GLU A 46 6.533 -6.262 -5.983 1.00 55.54 H new ATOM 734 N GLU A 47 4.944 -4.719 -6.929 1.00 72.31 N ATOM 735 CA GLU A 47 4.408 -3.911 -5.812 1.00 75.15 C ATOM 736 C GLU A 47 3.715 -2.662 -6.380 1.00 21.10 C ATOM 737 O GLU A 47 2.720 -2.171 -5.829 1.00 34.14 O ATOM 738 CB GLU A 47 5.594 -3.568 -4.839 1.00 74.54 C ATOM 739 CG GLU A 47 5.261 -3.415 -3.335 1.00 65.15 C ATOM 740 CD GLU A 47 4.425 -2.175 -3.004 1.00 1.13 C ATOM 741 OE1 GLU A 47 3.221 -2.308 -2.681 1.00 21.13 O ATOM 742 OE2 GLU A 47 4.994 -1.065 -3.054 1.00 32.53 O ATOM 0 H GLU A 47 5.905 -4.480 -7.175 1.00 72.31 H new ATOM 0 HA GLU A 47 3.657 -4.457 -5.242 1.00 75.15 H new ATOM 0 HB2 GLU A 47 6.348 -4.349 -4.939 1.00 74.54 H new ATOM 0 HB3 GLU A 47 6.050 -2.638 -5.179 1.00 74.54 H new ATOM 0 HG2 GLU A 47 4.724 -4.302 -3.000 1.00 65.15 H new ATOM 0 HG3 GLU A 47 6.192 -3.374 -2.770 1.00 65.15 H new ATOM 749 N ARG A 48 4.260 -2.178 -7.509 1.00 51.12 N ATOM 750 CA ARG A 48 3.693 -1.070 -8.282 1.00 21.45 C ATOM 751 C ARG A 48 2.263 -1.411 -8.700 1.00 53.33 C ATOM 752 O ARG A 48 1.394 -0.552 -8.663 1.00 33.33 O ATOM 753 CB ARG A 48 4.566 -0.765 -9.517 1.00 14.45 C ATOM 754 CG ARG A 48 4.354 0.640 -10.123 1.00 42.11 C ATOM 755 CD ARG A 48 5.167 0.859 -11.403 1.00 24.43 C ATOM 756 NE ARG A 48 6.617 0.650 -11.180 1.00 44.41 N ATOM 757 CZ ARG A 48 7.524 0.389 -12.141 1.00 63.35 C ATOM 758 NH1 ARG A 48 7.165 0.301 -13.418 1.00 65.23 N ATOM 759 NH2 ARG A 48 8.793 0.196 -11.807 1.00 41.05 N ATOM 0 H ARG A 48 5.118 -2.553 -7.912 1.00 51.12 H new ATOM 0 HA ARG A 48 3.673 -0.177 -7.658 1.00 21.45 H new ATOM 0 HB2 ARG A 48 5.615 -0.872 -9.240 1.00 14.45 H new ATOM 0 HB3 ARG A 48 4.361 -1.512 -10.284 1.00 14.45 H new ATOM 0 HG2 ARG A 48 3.295 0.782 -10.341 1.00 42.11 H new ATOM 0 HG3 ARG A 48 4.632 1.395 -9.387 1.00 42.11 H new ATOM 0 HD2 ARG A 48 4.817 0.176 -12.177 1.00 24.43 H new ATOM 0 HD3 ARG A 48 4.999 1.871 -11.771 1.00 24.43 H new ATOM 0 HE ARG A 48 6.956 0.709 -10.220 1.00 44.41 H new ATOM 0 HH11 ARG A 48 6.189 0.432 -13.684 1.00 65.23 H new ATOM 0 HH12 ARG A 48 7.866 0.103 -14.132 1.00 65.23 H new ATOM 0 HH21 ARG A 48 9.076 0.246 -10.828 1.00 41.05 H new ATOM 0 HH22 ARG A 48 9.486 -0.002 -12.529 1.00 41.05 H new ATOM 773 N ASN A 49 2.046 -2.699 -9.080 1.00 44.35 N ATOM 774 CA ASN A 49 0.712 -3.240 -9.395 1.00 41.33 C ATOM 775 C ASN A 49 -0.280 -2.965 -8.236 1.00 34.33 C ATOM 776 O ASN A 49 -1.360 -2.404 -8.456 1.00 24.31 O ATOM 777 CB ASN A 49 0.822 -4.765 -9.684 1.00 72.40 C ATOM 778 CG ASN A 49 -0.426 -5.409 -10.310 1.00 25.11 C ATOM 779 OD1 ASN A 49 -1.559 -4.985 -10.098 1.00 71.01 O ATOM 780 ND2 ASN A 49 -0.216 -6.465 -11.084 1.00 61.22 N ATOM 0 H ASN A 49 2.796 -3.384 -9.174 1.00 44.35 H new ATOM 0 HA ASN A 49 0.327 -2.741 -10.284 1.00 41.33 H new ATOM 0 HB2 ASN A 49 1.669 -4.931 -10.350 1.00 72.40 H new ATOM 0 HB3 ASN A 49 1.046 -5.280 -8.749 1.00 72.40 H new ATOM 0 HD21 ASN A 49 -1.005 -6.944 -11.518 1.00 61.22 H new ATOM 0 HD22 ASN A 49 0.734 -6.798 -11.245 1.00 61.22 H new ATOM 787 N ALA A 50 0.141 -3.323 -7.004 1.00 45.52 N ATOM 788 CA ALA A 50 -0.677 -3.188 -5.779 1.00 5.30 C ATOM 789 C ALA A 50 -1.070 -1.717 -5.501 1.00 3.25 C ATOM 790 O ALA A 50 -2.252 -1.421 -5.260 1.00 52.24 O ATOM 791 CB ALA A 50 0.077 -3.780 -4.574 1.00 2.52 C ATOM 0 H ALA A 50 1.066 -3.717 -6.830 1.00 45.52 H new ATOM 0 HA ALA A 50 -1.601 -3.744 -5.936 1.00 5.30 H new ATOM 0 HB1 ALA A 50 -0.533 -3.676 -3.677 1.00 2.52 H new ATOM 0 HB2 ALA A 50 0.280 -4.836 -4.755 1.00 2.52 H new ATOM 0 HB3 ALA A 50 1.018 -3.248 -4.437 1.00 2.52 H new ATOM 797 N LEU A 51 -0.075 -0.802 -5.532 1.00 54.31 N ATOM 798 CA LEU A 51 -0.310 0.638 -5.240 1.00 35.14 C ATOM 799 C LEU A 51 -0.981 1.384 -6.421 1.00 31.41 C ATOM 800 O LEU A 51 -1.557 2.458 -6.215 1.00 10.10 O ATOM 801 CB LEU A 51 0.995 1.370 -4.815 1.00 42.02 C ATOM 802 CG LEU A 51 1.839 0.769 -3.636 1.00 25.14 C ATOM 803 CD1 LEU A 51 3.056 1.663 -3.342 1.00 2.54 C ATOM 804 CD2 LEU A 51 1.025 0.541 -2.335 1.00 54.31 C ATOM 0 H LEU A 51 0.894 -1.029 -5.754 1.00 54.31 H new ATOM 0 HA LEU A 51 -1.003 0.657 -4.399 1.00 35.14 H new ATOM 0 HB2 LEU A 51 1.642 1.429 -5.690 1.00 42.02 H new ATOM 0 HB3 LEU A 51 0.729 2.392 -4.545 1.00 42.02 H new ATOM 0 HG LEU A 51 2.166 -0.215 -3.971 1.00 25.14 H new ATOM 0 HD11 LEU A 51 3.633 1.235 -2.522 1.00 2.54 H new ATOM 0 HD12 LEU A 51 3.683 1.728 -4.231 1.00 2.54 H new ATOM 0 HD13 LEU A 51 2.716 2.661 -3.064 1.00 2.54 H new ATOM 0 HD21 LEU A 51 1.676 0.124 -1.567 1.00 54.31 H new ATOM 0 HD22 LEU A 51 0.618 1.491 -1.989 1.00 54.31 H new ATOM 0 HD23 LEU A 51 0.208 -0.153 -2.534 1.00 54.31 H new ATOM 816 N ASN A 52 -0.897 0.824 -7.646 1.00 12.14 N ATOM 817 CA ASN A 52 -1.645 1.341 -8.816 1.00 32.03 C ATOM 818 C ASN A 52 -3.138 1.050 -8.639 1.00 24.23 C ATOM 819 O ASN A 52 -3.996 1.914 -8.894 1.00 43.45 O ATOM 820 CB ASN A 52 -1.132 0.754 -10.159 1.00 72.25 C ATOM 821 CG ASN A 52 0.093 1.475 -10.719 1.00 24.00 C ATOM 822 OD1 ASN A 52 0.924 2.003 -9.980 1.00 63.32 O ATOM 823 ND2 ASN A 52 0.198 1.520 -12.037 1.00 61.00 N ATOM 0 H ASN A 52 -0.317 0.011 -7.853 1.00 12.14 H new ATOM 0 HA ASN A 52 -1.481 2.418 -8.863 1.00 32.03 H new ATOM 0 HB2 ASN A 52 -0.888 -0.299 -10.015 1.00 72.25 H new ATOM 0 HB3 ASN A 52 -1.935 0.798 -10.894 1.00 72.25 H new ATOM 0 HD21 ASN A 52 0.985 2.003 -12.470 1.00 61.00 H new ATOM 0 HD22 ASN A 52 -0.508 1.072 -12.620 1.00 61.00 H new ATOM 830 N ILE A 53 -3.418 -0.181 -8.176 1.00 55.01 N ATOM 831 CA ILE A 53 -4.774 -0.630 -7.825 1.00 23.51 C ATOM 832 C ILE A 53 -5.309 0.217 -6.659 1.00 50.02 C ATOM 833 O ILE A 53 -6.478 0.604 -6.647 1.00 24.33 O ATOM 834 CB ILE A 53 -4.791 -2.172 -7.467 1.00 53.12 C ATOM 835 CG1 ILE A 53 -4.538 -3.026 -8.754 1.00 35.02 C ATOM 836 CG2 ILE A 53 -6.101 -2.607 -6.739 1.00 13.22 C ATOM 837 CD1 ILE A 53 -4.446 -4.518 -8.523 1.00 12.33 C ATOM 0 H ILE A 53 -2.704 -0.896 -8.034 1.00 55.01 H new ATOM 0 HA ILE A 53 -5.426 -0.494 -8.688 1.00 23.51 H new ATOM 0 HB ILE A 53 -3.981 -2.354 -6.760 1.00 53.12 H new ATOM 0 HG12 ILE A 53 -5.342 -2.832 -9.464 1.00 35.02 H new ATOM 0 HG13 ILE A 53 -3.613 -2.688 -9.220 1.00 35.02 H new ATOM 0 HG21 ILE A 53 -6.057 -3.673 -6.518 1.00 13.22 H new ATOM 0 HG22 ILE A 53 -6.203 -2.048 -5.809 1.00 13.22 H new ATOM 0 HG23 ILE A 53 -6.958 -2.404 -7.381 1.00 13.22 H new ATOM 0 HD11 ILE A 53 -4.270 -5.023 -9.473 1.00 12.33 H new ATOM 0 HD12 ILE A 53 -3.623 -4.730 -7.841 1.00 12.33 H new ATOM 0 HD13 ILE A 53 -5.379 -4.877 -8.089 1.00 12.33 H new ATOM 849 N ALA A 54 -4.411 0.537 -5.713 1.00 21.55 N ATOM 850 CA ALA A 54 -4.741 1.322 -4.508 1.00 73.42 C ATOM 851 C ALA A 54 -5.183 2.744 -4.895 1.00 0.11 C ATOM 852 O ALA A 54 -6.276 3.161 -4.518 1.00 12.12 O ATOM 853 CB ALA A 54 -3.543 1.358 -3.542 1.00 34.31 C ATOM 0 H ALA A 54 -3.431 0.258 -5.761 1.00 21.55 H new ATOM 0 HA ALA A 54 -5.572 0.838 -3.995 1.00 73.42 H new ATOM 0 HB1 ALA A 54 -3.805 1.941 -2.659 1.00 34.31 H new ATOM 0 HB2 ALA A 54 -3.286 0.342 -3.243 1.00 34.31 H new ATOM 0 HB3 ALA A 54 -2.688 1.816 -4.039 1.00 34.31 H new ATOM 859 N GLU A 55 -4.348 3.436 -5.707 1.00 71.22 N ATOM 860 CA GLU A 55 -4.570 4.849 -6.112 1.00 15.50 C ATOM 861 C GLU A 55 -5.850 5.001 -6.950 1.00 33.22 C ATOM 862 O GLU A 55 -6.673 5.898 -6.679 1.00 52.10 O ATOM 863 CB GLU A 55 -3.341 5.386 -6.896 1.00 2.24 C ATOM 864 CG GLU A 55 -3.548 6.749 -7.602 1.00 50.55 C ATOM 865 CD GLU A 55 -2.295 7.240 -8.336 1.00 50.12 C ATOM 866 OE1 GLU A 55 -1.418 7.856 -7.701 1.00 1.22 O ATOM 867 OE2 GLU A 55 -2.179 6.999 -9.554 1.00 12.00 O ATOM 0 H GLU A 55 -3.499 3.031 -6.101 1.00 71.22 H new ATOM 0 HA GLU A 55 -4.696 5.440 -5.205 1.00 15.50 H new ATOM 0 HB2 GLU A 55 -2.502 5.477 -6.206 1.00 2.24 H new ATOM 0 HB3 GLU A 55 -3.058 4.647 -7.646 1.00 2.24 H new ATOM 0 HG2 GLU A 55 -4.369 6.662 -8.314 1.00 50.55 H new ATOM 0 HG3 GLU A 55 -3.845 7.493 -6.863 1.00 50.55 H new ATOM 874 N LYS A 56 -6.027 4.109 -7.955 1.00 61.53 N ATOM 875 CA LYS A 56 -7.201 4.162 -8.856 1.00 64.24 C ATOM 876 C LYS A 56 -8.492 3.873 -8.073 1.00 73.24 C ATOM 877 O LYS A 56 -9.571 4.383 -8.412 1.00 20.33 O ATOM 878 CB LYS A 56 -7.053 3.203 -10.069 1.00 64.25 C ATOM 879 CG LYS A 56 -5.966 3.619 -11.080 1.00 35.31 C ATOM 880 CD LYS A 56 -5.957 2.725 -12.337 1.00 23.21 C ATOM 881 CE LYS A 56 -4.819 3.075 -13.309 1.00 75.42 C ATOM 882 NZ LYS A 56 -3.483 2.928 -12.664 1.00 10.42 N ATOM 0 H LYS A 56 -5.377 3.351 -8.160 1.00 61.53 H new ATOM 0 HA LYS A 56 -7.259 5.172 -9.261 1.00 64.24 H new ATOM 0 HB2 LYS A 56 -6.826 2.203 -9.700 1.00 64.25 H new ATOM 0 HB3 LYS A 56 -8.010 3.142 -10.587 1.00 64.25 H new ATOM 0 HG2 LYS A 56 -6.127 4.656 -11.376 1.00 35.31 H new ATOM 0 HG3 LYS A 56 -4.989 3.573 -10.598 1.00 35.31 H new ATOM 0 HD2 LYS A 56 -5.863 1.682 -12.035 1.00 23.21 H new ATOM 0 HD3 LYS A 56 -6.912 2.822 -12.853 1.00 23.21 H new ATOM 0 HE2 LYS A 56 -4.875 2.427 -14.184 1.00 75.42 H new ATOM 0 HE3 LYS A 56 -4.943 4.099 -13.662 1.00 75.42 H new ATOM 0 HZ1 LYS A 56 -2.740 2.972 -13.390 1.00 10.42 H new ATOM 0 HZ2 LYS A 56 -3.342 3.697 -11.978 1.00 10.42 H new ATOM 0 HZ3 LYS A 56 -3.434 2.013 -12.173 1.00 10.42 H new ATOM 896 N ALA A 57 -8.352 3.063 -7.009 1.00 53.03 N ATOM 897 CA ALA A 57 -9.450 2.731 -6.100 1.00 4.32 C ATOM 898 C ALA A 57 -9.738 3.904 -5.135 1.00 75.31 C ATOM 899 O ALA A 57 -10.888 4.101 -4.778 1.00 35.25 O ATOM 900 CB ALA A 57 -9.133 1.446 -5.322 1.00 22.03 C ATOM 0 H ALA A 57 -7.467 2.621 -6.759 1.00 53.03 H new ATOM 0 HA ALA A 57 -10.347 2.558 -6.694 1.00 4.32 H new ATOM 0 HB1 ALA A 57 -9.960 1.214 -4.651 1.00 22.03 H new ATOM 0 HB2 ALA A 57 -8.991 0.622 -6.022 1.00 22.03 H new ATOM 0 HB3 ALA A 57 -8.222 1.588 -4.740 1.00 22.03 H new ATOM 906 N LEU A 58 -8.698 4.686 -4.717 1.00 64.43 N ATOM 907 CA LEU A 58 -8.903 5.891 -3.854 1.00 30.34 C ATOM 908 C LEU A 58 -9.744 6.935 -4.623 1.00 64.14 C ATOM 909 O LEU A 58 -10.637 7.571 -4.044 1.00 13.54 O ATOM 910 CB LEU A 58 -7.554 6.577 -3.378 1.00 30.41 C ATOM 911 CG LEU A 58 -6.382 5.702 -2.679 1.00 31.21 C ATOM 912 CD1 LEU A 58 -5.166 6.543 -2.172 1.00 13.20 C ATOM 913 CD2 LEU A 58 -6.837 4.756 -1.521 1.00 11.12 C ATOM 0 H LEU A 58 -7.723 4.507 -4.959 1.00 64.43 H new ATOM 0 HA LEU A 58 -9.416 5.541 -2.958 1.00 30.34 H new ATOM 0 HB2 LEU A 58 -7.115 7.062 -4.250 1.00 30.41 H new ATOM 0 HB3 LEU A 58 -7.826 7.367 -2.678 1.00 30.41 H new ATOM 0 HG LEU A 58 -6.070 5.078 -3.516 1.00 31.21 H new ATOM 0 HD11 LEU A 58 -4.429 5.880 -1.718 1.00 13.20 H new ATOM 0 HD12 LEU A 58 -4.712 7.070 -3.012 1.00 13.20 H new ATOM 0 HD13 LEU A 58 -5.507 7.267 -1.432 1.00 13.20 H new ATOM 0 HD21 LEU A 58 -5.973 4.221 -1.128 1.00 11.12 H new ATOM 0 HD22 LEU A 58 -7.291 5.347 -0.725 1.00 11.12 H new ATOM 0 HD23 LEU A 58 -7.565 4.040 -1.901 1.00 11.12 H new ATOM 925 N ASP A 59 -9.448 7.091 -5.935 1.00 75.01 N ATOM 926 CA ASP A 59 -10.147 8.064 -6.808 1.00 4.11 C ATOM 927 C ASP A 59 -11.630 7.692 -6.973 1.00 3.21 C ATOM 928 O ASP A 59 -12.514 8.542 -6.808 1.00 3.34 O ATOM 929 CB ASP A 59 -9.449 8.135 -8.189 1.00 4.10 C ATOM 930 CG ASP A 59 -9.929 9.309 -9.060 1.00 14.33 C ATOM 931 OD1 ASP A 59 -9.397 10.433 -8.905 1.00 0.43 O ATOM 932 OD2 ASP A 59 -10.826 9.121 -9.912 1.00 23.22 O ATOM 0 H ASP A 59 -8.726 6.553 -6.414 1.00 75.01 H new ATOM 0 HA ASP A 59 -10.098 9.045 -6.336 1.00 4.11 H new ATOM 0 HB2 ASP A 59 -8.373 8.220 -8.039 1.00 4.10 H new ATOM 0 HB3 ASP A 59 -9.623 7.201 -8.724 1.00 4.10 H new ATOM 937 N ASN A 60 -11.890 6.400 -7.248 1.00 24.01 N ATOM 938 CA ASN A 60 -13.263 5.859 -7.375 1.00 45.23 C ATOM 939 C ASN A 60 -13.891 5.594 -5.991 1.00 14.30 C ATOM 940 O ASN A 60 -15.091 5.300 -5.903 1.00 72.32 O ATOM 941 CB ASN A 60 -13.277 4.569 -8.255 1.00 74.33 C ATOM 942 CG ASN A 60 -12.977 4.830 -9.732 1.00 23.24 C ATOM 943 OD1 ASN A 60 -12.258 5.767 -10.085 1.00 62.23 O ATOM 944 ND2 ASN A 60 -13.531 4.005 -10.608 1.00 71.11 N ATOM 0 H ASN A 60 -11.160 5.702 -7.388 1.00 24.01 H new ATOM 0 HA ASN A 60 -13.872 6.613 -7.875 1.00 45.23 H new ATOM 0 HB2 ASN A 60 -12.543 3.864 -7.863 1.00 74.33 H new ATOM 0 HB3 ASN A 60 -14.254 4.092 -8.170 1.00 74.33 H new ATOM 0 HD21 ASN A 60 -13.367 4.136 -11.606 1.00 71.11 H new ATOM 0 HD22 ASN A 60 -14.121 3.239 -10.284 1.00 71.11 H new ATOM 951 N SER A 61 -13.060 5.706 -4.926 1.00 52.45 N ATOM 952 CA SER A 61 -13.485 5.586 -3.524 1.00 52.25 C ATOM 953 C SER A 61 -14.114 4.209 -3.238 1.00 13.31 C ATOM 954 O SER A 61 -15.203 4.101 -2.668 1.00 74.44 O ATOM 955 CB SER A 61 -14.421 6.758 -3.147 1.00 70.12 C ATOM 956 OG SER A 61 -13.826 8.001 -3.476 1.00 21.52 O ATOM 0 H SER A 61 -12.061 5.885 -5.027 1.00 52.45 H new ATOM 0 HA SER A 61 -12.604 5.652 -2.886 1.00 52.25 H new ATOM 0 HB2 SER A 61 -15.371 6.654 -3.671 1.00 70.12 H new ATOM 0 HB3 SER A 61 -14.641 6.726 -2.080 1.00 70.12 H new ATOM 0 HG SER A 61 -12.866 7.874 -3.629 1.00 21.52 H new ATOM 962 N GLU A 62 -13.374 3.153 -3.606 1.00 41.04 N ATOM 963 CA GLU A 62 -13.792 1.750 -3.437 1.00 24.51 C ATOM 964 C GLU A 62 -13.418 1.216 -2.028 1.00 74.44 C ATOM 965 O GLU A 62 -12.937 0.094 -1.884 1.00 43.45 O ATOM 966 CB GLU A 62 -13.166 0.889 -4.564 1.00 64.20 C ATOM 967 CG GLU A 62 -13.604 1.284 -5.993 1.00 72.35 C ATOM 968 CD GLU A 62 -15.105 1.079 -6.271 1.00 23.14 C ATOM 969 OE1 GLU A 62 -15.523 -0.086 -6.473 1.00 54.13 O ATOM 970 OE2 GLU A 62 -15.865 2.072 -6.309 1.00 31.01 O ATOM 0 H GLU A 62 -12.454 3.249 -4.036 1.00 41.04 H new ATOM 0 HA GLU A 62 -14.878 1.688 -3.514 1.00 24.51 H new ATOM 0 HB2 GLU A 62 -12.080 0.961 -4.498 1.00 64.20 H new ATOM 0 HB3 GLU A 62 -13.427 -0.155 -4.393 1.00 64.20 H new ATOM 0 HG2 GLU A 62 -13.354 2.332 -6.161 1.00 72.35 H new ATOM 0 HG3 GLU A 62 -13.029 0.700 -6.712 1.00 72.35 H new ATOM 977 N TYR A 63 -13.647 2.078 -1.014 1.00 4.11 N ATOM 978 CA TYR A 63 -13.702 1.747 0.435 1.00 4.12 C ATOM 979 C TYR A 63 -12.306 1.617 1.080 1.00 50.34 C ATOM 980 O TYR A 63 -11.493 0.814 0.642 1.00 35.54 O ATOM 981 CB TYR A 63 -14.547 0.470 0.726 1.00 22.31 C ATOM 982 CG TYR A 63 -16.048 0.603 0.429 1.00 14.41 C ATOM 983 CD1 TYR A 63 -16.926 1.048 1.408 1.00 63.14 C ATOM 984 CD2 TYR A 63 -16.582 0.273 -0.825 1.00 13.33 C ATOM 985 CE1 TYR A 63 -18.276 1.153 1.161 1.00 72.50 C ATOM 986 CE2 TYR A 63 -17.934 0.386 -1.078 1.00 14.34 C ATOM 987 CZ TYR A 63 -18.775 0.824 -0.083 1.00 21.02 C ATOM 988 OH TYR A 63 -20.129 0.930 -0.323 1.00 22.35 O ATOM 0 H TYR A 63 -13.807 3.071 -1.186 1.00 4.11 H new ATOM 0 HA TYR A 63 -14.201 2.599 0.897 1.00 4.12 H new ATOM 0 HB2 TYR A 63 -14.147 -0.354 0.136 1.00 22.31 H new ATOM 0 HB3 TYR A 63 -14.422 0.201 1.775 1.00 22.31 H new ATOM 0 HD1 TYR A 63 -16.543 1.317 2.381 1.00 63.14 H new ATOM 0 HD2 TYR A 63 -15.923 -0.076 -1.607 1.00 13.33 H new ATOM 0 HE1 TYR A 63 -18.944 1.492 1.939 1.00 72.50 H new ATOM 0 HE2 TYR A 63 -18.328 0.132 -2.051 1.00 14.34 H new ATOM 0 HH TYR A 63 -20.319 0.663 -1.246 1.00 22.35 H new ATOM 998 N LEU A 64 -12.074 2.379 2.181 1.00 51.21 N ATOM 999 CA LEU A 64 -10.812 2.300 2.964 1.00 12.12 C ATOM 1000 C LEU A 64 -10.650 0.860 3.522 1.00 13.31 C ATOM 1001 O LEU A 64 -9.556 0.316 3.396 1.00 41.32 O ATOM 1002 CB LEU A 64 -10.721 3.339 4.162 1.00 33.42 C ATOM 1003 CG LEU A 64 -10.806 4.895 3.893 1.00 25.00 C ATOM 1004 CD1 LEU A 64 -11.159 5.655 5.212 1.00 72.22 C ATOM 1005 CD2 LEU A 64 -9.490 5.509 3.320 1.00 24.24 C ATOM 0 H LEU A 64 -12.745 3.055 2.546 1.00 51.21 H new ATOM 0 HA LEU A 64 -10.007 2.558 2.276 1.00 12.12 H new ATOM 0 HB2 LEU A 64 -11.519 3.091 4.862 1.00 33.42 H new ATOM 0 HB3 LEU A 64 -9.777 3.154 4.675 1.00 33.42 H new ATOM 0 HG LEU A 64 -11.586 5.016 3.141 1.00 25.00 H new ATOM 0 HD11 LEU A 64 -11.214 6.725 5.012 1.00 72.22 H new ATOM 0 HD12 LEU A 64 -12.121 5.306 5.587 1.00 72.22 H new ATOM 0 HD13 LEU A 64 -10.388 5.465 5.959 1.00 72.22 H new ATOM 0 HD21 LEU A 64 -9.626 6.579 3.162 1.00 24.24 H new ATOM 0 HD22 LEU A 64 -8.676 5.347 4.026 1.00 24.24 H new ATOM 0 HD23 LEU A 64 -9.248 5.030 2.371 1.00 24.24 H new ATOM 1017 N PRO A 65 -11.718 0.219 4.172 1.00 40.12 N ATOM 1018 CA PRO A 65 -11.673 -1.207 4.584 1.00 45.41 C ATOM 1019 C PRO A 65 -11.185 -2.140 3.471 1.00 3.14 C ATOM 1020 O PRO A 65 -10.351 -3.010 3.713 1.00 33.34 O ATOM 1021 CB PRO A 65 -13.156 -1.532 4.960 1.00 11.14 C ATOM 1022 CG PRO A 65 -13.959 -0.339 4.517 1.00 3.43 C ATOM 1023 CD PRO A 65 -13.017 0.823 4.612 1.00 70.21 C ATOM 0 HA PRO A 65 -10.967 -1.360 5.400 1.00 45.41 H new ATOM 0 HB2 PRO A 65 -13.496 -2.440 4.462 1.00 11.14 H new ATOM 0 HB3 PRO A 65 -13.261 -1.698 6.032 1.00 11.14 H new ATOM 0 HG2 PRO A 65 -14.326 -0.467 3.499 1.00 3.43 H new ATOM 0 HG3 PRO A 65 -14.831 -0.192 5.154 1.00 3.43 H new ATOM 0 HD2 PRO A 65 -13.321 1.647 3.967 1.00 70.21 H new ATOM 0 HD3 PRO A 65 -12.959 1.217 5.626 1.00 70.21 H new ATOM 1031 N LYS A 66 -11.700 -1.902 2.253 1.00 12.22 N ATOM 1032 CA LYS A 66 -11.432 -2.749 1.088 1.00 33.33 C ATOM 1033 C LYS A 66 -9.973 -2.599 0.625 1.00 40.12 C ATOM 1034 O LYS A 66 -9.328 -3.580 0.267 1.00 1.54 O ATOM 1035 CB LYS A 66 -12.434 -2.436 -0.066 1.00 21.45 C ATOM 1036 CG LYS A 66 -12.346 -3.344 -1.323 1.00 54.33 C ATOM 1037 CD LYS A 66 -12.823 -4.811 -1.105 1.00 24.45 C ATOM 1038 CE LYS A 66 -11.760 -5.722 -0.460 1.00 42.42 C ATOM 1039 NZ LYS A 66 -10.483 -5.696 -1.225 1.00 3.23 N ATOM 0 H LYS A 66 -12.315 -1.113 2.053 1.00 12.22 H new ATOM 0 HA LYS A 66 -11.578 -3.789 1.379 1.00 33.33 H new ATOM 0 HB2 LYS A 66 -13.446 -2.502 0.333 1.00 21.45 H new ATOM 0 HB3 LYS A 66 -12.282 -1.403 -0.379 1.00 21.45 H new ATOM 0 HG2 LYS A 66 -12.942 -2.898 -2.119 1.00 54.33 H new ATOM 0 HG3 LYS A 66 -11.313 -3.361 -1.670 1.00 54.33 H new ATOM 0 HD2 LYS A 66 -13.712 -4.804 -0.475 1.00 24.45 H new ATOM 0 HD3 LYS A 66 -13.116 -5.234 -2.066 1.00 24.45 H new ATOM 0 HE2 LYS A 66 -11.578 -5.401 0.566 1.00 42.42 H new ATOM 0 HE3 LYS A 66 -12.136 -6.744 -0.412 1.00 42.42 H new ATOM 0 HZ1 LYS A 66 -10.015 -6.622 -1.151 1.00 3.23 H new ATOM 0 HZ2 LYS A 66 -10.681 -5.487 -2.224 1.00 3.23 H new ATOM 0 HZ3 LYS A 66 -9.859 -4.961 -0.835 1.00 3.23 H new ATOM 1053 N ILE A 67 -9.459 -1.360 0.670 1.00 33.03 N ATOM 1054 CA ILE A 67 -8.103 -1.020 0.187 1.00 60.45 C ATOM 1055 C ILE A 67 -7.026 -1.383 1.230 1.00 54.53 C ATOM 1056 O ILE A 67 -5.873 -1.669 0.874 1.00 44.44 O ATOM 1057 CB ILE A 67 -8.041 0.494 -0.234 1.00 32.12 C ATOM 1058 CG1 ILE A 67 -9.136 0.753 -1.318 1.00 72.35 C ATOM 1059 CG2 ILE A 67 -6.632 0.904 -0.746 1.00 14.33 C ATOM 1060 CD1 ILE A 67 -9.322 2.194 -1.746 1.00 33.42 C ATOM 0 H ILE A 67 -9.970 -0.560 1.043 1.00 33.03 H new ATOM 0 HA ILE A 67 -7.887 -1.619 -0.698 1.00 60.45 H new ATOM 0 HB ILE A 67 -8.234 1.113 0.643 1.00 32.12 H new ATOM 0 HG12 ILE A 67 -8.892 0.162 -2.201 1.00 72.35 H new ATOM 0 HG13 ILE A 67 -10.088 0.382 -0.939 1.00 72.35 H new ATOM 0 HG21 ILE A 67 -6.639 1.958 -1.025 1.00 14.33 H new ATOM 0 HG22 ILE A 67 -5.897 0.742 0.042 1.00 14.33 H new ATOM 0 HG23 ILE A 67 -6.371 0.300 -1.615 1.00 14.33 H new ATOM 0 HD11 ILE A 67 -10.107 2.251 -2.500 1.00 33.42 H new ATOM 0 HD12 ILE A 67 -9.604 2.796 -0.883 1.00 33.42 H new ATOM 0 HD13 ILE A 67 -8.389 2.573 -2.163 1.00 33.42 H new ATOM 1072 N ILE A 68 -7.429 -1.434 2.507 1.00 63.44 N ATOM 1073 CA ILE A 68 -6.570 -1.912 3.597 1.00 21.14 C ATOM 1074 C ILE A 68 -6.440 -3.431 3.482 1.00 20.14 C ATOM 1075 O ILE A 68 -5.335 -3.982 3.569 1.00 35.43 O ATOM 1076 CB ILE A 68 -7.140 -1.506 5.005 1.00 65.45 C ATOM 1077 CG1 ILE A 68 -7.035 0.039 5.233 1.00 52.23 C ATOM 1078 CG2 ILE A 68 -6.448 -2.280 6.146 1.00 54.02 C ATOM 1079 CD1 ILE A 68 -7.681 0.531 6.513 1.00 51.53 C ATOM 0 H ILE A 68 -8.358 -1.145 2.812 1.00 63.44 H new ATOM 0 HA ILE A 68 -5.589 -1.446 3.509 1.00 21.14 H new ATOM 0 HB ILE A 68 -8.195 -1.779 5.017 1.00 65.45 H new ATOM 0 HG12 ILE A 68 -5.982 0.322 5.240 1.00 52.23 H new ATOM 0 HG13 ILE A 68 -7.496 0.550 4.388 1.00 52.23 H new ATOM 0 HG21 ILE A 68 -6.869 -1.972 7.103 1.00 54.02 H new ATOM 0 HG22 ILE A 68 -6.606 -3.350 6.008 1.00 54.02 H new ATOM 0 HG23 ILE A 68 -5.379 -2.066 6.135 1.00 54.02 H new ATOM 0 HD11 ILE A 68 -7.561 1.612 6.589 1.00 51.53 H new ATOM 0 HD12 ILE A 68 -8.743 0.284 6.503 1.00 51.53 H new ATOM 0 HD13 ILE A 68 -7.205 0.052 7.368 1.00 51.53 H new ATOM 1091 N LEU A 69 -7.594 -4.077 3.245 1.00 14.25 N ATOM 1092 CA LEU A 69 -7.684 -5.516 2.966 1.00 31.22 C ATOM 1093 C LEU A 69 -6.874 -5.818 1.683 1.00 51.23 C ATOM 1094 O LEU A 69 -6.240 -6.849 1.595 1.00 45.42 O ATOM 1095 CB LEU A 69 -9.195 -5.933 2.816 1.00 34.12 C ATOM 1096 CG LEU A 69 -9.620 -7.412 3.253 1.00 51.00 C ATOM 1097 CD1 LEU A 69 -11.116 -7.770 2.954 1.00 44.45 C ATOM 1098 CD2 LEU A 69 -8.689 -8.520 2.696 1.00 2.14 C ATOM 0 H LEU A 69 -8.499 -3.607 3.242 1.00 14.25 H new ATOM 0 HA LEU A 69 -7.265 -6.097 3.787 1.00 31.22 H new ATOM 0 HB2 LEU A 69 -9.793 -5.230 3.396 1.00 34.12 H new ATOM 0 HB3 LEU A 69 -9.474 -5.802 1.770 1.00 34.12 H new ATOM 0 HG LEU A 69 -9.503 -7.388 4.336 1.00 51.00 H new ATOM 0 HD11 LEU A 69 -11.319 -8.790 3.282 1.00 44.45 H new ATOM 0 HD12 LEU A 69 -11.769 -7.081 3.489 1.00 44.45 H new ATOM 0 HD13 LEU A 69 -11.302 -7.689 1.883 1.00 44.45 H new ATOM 0 HD21 LEU A 69 -9.040 -9.495 3.035 1.00 2.14 H new ATOM 0 HD22 LEU A 69 -8.698 -8.489 1.606 1.00 2.14 H new ATOM 0 HD23 LEU A 69 -7.673 -8.356 3.055 1.00 2.14 H new ATOM 1110 N ASN A 70 -6.866 -4.862 0.722 1.00 42.44 N ATOM 1111 CA ASN A 70 -6.156 -4.997 -0.565 1.00 11.22 C ATOM 1112 C ASN A 70 -4.627 -5.001 -0.369 1.00 64.04 C ATOM 1113 O ASN A 70 -3.951 -5.859 -0.937 1.00 0.21 O ATOM 1114 CB ASN A 70 -6.601 -3.899 -1.572 1.00 54.21 C ATOM 1115 CG ASN A 70 -5.811 -3.881 -2.886 1.00 20.44 C ATOM 1116 OD1 ASN A 70 -6.165 -4.559 -3.848 1.00 62.14 O ATOM 1117 ND2 ASN A 70 -4.722 -3.112 -2.937 1.00 42.43 N ATOM 0 H ASN A 70 -7.356 -3.973 0.823 1.00 42.44 H new ATOM 0 HA ASN A 70 -6.429 -5.962 -0.992 1.00 11.22 H new ATOM 0 HB2 ASN A 70 -7.657 -4.040 -1.800 1.00 54.21 H new ATOM 0 HB3 ASN A 70 -6.506 -2.925 -1.093 1.00 54.21 H new ATOM 0 HD21 ASN A 70 -4.162 -3.077 -3.789 1.00 42.43 H new ATOM 0 HD22 ASN A 70 -4.450 -2.559 -2.124 1.00 42.43 H new ATOM 1124 N LEU A 71 -4.079 -4.067 0.447 1.00 35.00 N ATOM 1125 CA LEU A 71 -2.620 -4.003 0.699 1.00 20.15 C ATOM 1126 C LEU A 71 -2.199 -5.150 1.629 1.00 51.42 C ATOM 1127 O LEU A 71 -1.054 -5.594 1.595 1.00 34.52 O ATOM 1128 CB LEU A 71 -2.186 -2.622 1.293 1.00 23.24 C ATOM 1129 CG LEU A 71 -2.562 -1.323 0.490 1.00 30.43 C ATOM 1130 CD1 LEU A 71 -2.094 -0.048 1.229 1.00 73.03 C ATOM 1131 CD2 LEU A 71 -2.014 -1.325 -0.958 1.00 1.33 C ATOM 0 H LEU A 71 -4.620 -3.355 0.937 1.00 35.00 H new ATOM 0 HA LEU A 71 -2.111 -4.112 -0.259 1.00 20.15 H new ATOM 0 HB2 LEU A 71 -2.619 -2.536 2.289 1.00 23.24 H new ATOM 0 HB3 LEU A 71 -1.103 -2.637 1.416 1.00 23.24 H new ATOM 0 HG LEU A 71 -3.650 -1.320 0.425 1.00 30.43 H new ATOM 0 HD11 LEU A 71 -2.369 0.832 0.647 1.00 73.03 H new ATOM 0 HD12 LEU A 71 -2.571 0.001 2.208 1.00 73.03 H new ATOM 0 HD13 LEU A 71 -1.011 -0.076 1.353 1.00 73.03 H new ATOM 0 HD21 LEU A 71 -2.307 -0.403 -1.459 1.00 1.33 H new ATOM 0 HD22 LEU A 71 -0.927 -1.396 -0.935 1.00 1.33 H new ATOM 0 HD23 LEU A 71 -2.422 -2.178 -1.500 1.00 1.33 H new ATOM 1143 N ARG A 72 -3.149 -5.641 2.440 1.00 74.12 N ATOM 1144 CA ARG A 72 -2.926 -6.803 3.313 1.00 13.21 C ATOM 1145 C ARG A 72 -3.067 -8.124 2.503 1.00 15.42 C ATOM 1146 O ARG A 72 -2.451 -9.124 2.844 1.00 63.14 O ATOM 1147 CB ARG A 72 -3.887 -6.774 4.552 1.00 50.32 C ATOM 1148 CG ARG A 72 -3.628 -7.892 5.582 1.00 75.14 C ATOM 1149 CD ARG A 72 -4.707 -7.981 6.659 1.00 2.44 C ATOM 1150 NE ARG A 72 -6.019 -8.362 6.097 1.00 11.15 N ATOM 1151 CZ ARG A 72 -7.203 -8.147 6.685 1.00 74.34 C ATOM 1152 NH1 ARG A 72 -7.281 -7.545 7.865 1.00 51.21 N ATOM 1153 NH2 ARG A 72 -8.308 -8.548 6.093 1.00 3.11 N ATOM 0 H ARG A 72 -4.087 -5.247 2.509 1.00 74.12 H new ATOM 0 HA ARG A 72 -1.908 -6.755 3.699 1.00 13.21 H new ATOM 0 HB2 ARG A 72 -3.791 -5.809 5.049 1.00 50.32 H new ATOM 0 HB3 ARG A 72 -4.916 -6.851 4.201 1.00 50.32 H new ATOM 0 HG2 ARG A 72 -3.563 -8.848 5.062 1.00 75.14 H new ATOM 0 HG3 ARG A 72 -2.662 -7.722 6.058 1.00 75.14 H new ATOM 0 HD2 ARG A 72 -4.409 -8.711 7.411 1.00 2.44 H new ATOM 0 HD3 ARG A 72 -4.795 -7.020 7.165 1.00 2.44 H new ATOM 0 HE ARG A 72 -6.024 -8.826 5.189 1.00 11.15 H new ATOM 0 HH11 ARG A 72 -6.431 -7.238 8.338 1.00 51.21 H new ATOM 0 HH12 ARG A 72 -8.191 -7.389 8.299 1.00 51.21 H new ATOM 0 HH21 ARG A 72 -8.260 -9.020 5.190 1.00 3.11 H new ATOM 0 HH22 ARG A 72 -9.212 -8.386 6.537 1.00 3.11 H new ATOM 1167 N LYS A 73 -3.863 -8.123 1.411 1.00 23.04 N ATOM 1168 CA LYS A 73 -4.077 -9.329 0.582 1.00 63.32 C ATOM 1169 C LYS A 73 -2.980 -9.430 -0.492 1.00 22.43 C ATOM 1170 O LYS A 73 -2.704 -10.507 -1.016 1.00 14.22 O ATOM 1171 CB LYS A 73 -5.488 -9.306 -0.067 1.00 55.23 C ATOM 1172 CG LYS A 73 -5.927 -10.642 -0.698 1.00 60.40 C ATOM 1173 CD LYS A 73 -6.168 -11.751 0.358 1.00 71.42 C ATOM 1174 CE LYS A 73 -6.423 -13.127 -0.284 1.00 50.14 C ATOM 1175 NZ LYS A 73 -7.555 -13.104 -1.247 1.00 40.32 N ATOM 0 H LYS A 73 -4.368 -7.300 1.083 1.00 23.04 H new ATOM 0 HA LYS A 73 -4.019 -10.210 1.222 1.00 63.32 H new ATOM 0 HB2 LYS A 73 -6.217 -9.021 0.691 1.00 55.23 H new ATOM 0 HB3 LYS A 73 -5.507 -8.533 -0.835 1.00 55.23 H new ATOM 0 HG2 LYS A 73 -6.841 -10.486 -1.270 1.00 60.40 H new ATOM 0 HG3 LYS A 73 -5.164 -10.975 -1.401 1.00 60.40 H new ATOM 0 HD2 LYS A 73 -5.302 -11.815 1.017 1.00 71.42 H new ATOM 0 HD3 LYS A 73 -7.022 -11.479 0.979 1.00 71.42 H new ATOM 0 HE2 LYS A 73 -5.520 -13.458 -0.797 1.00 50.14 H new ATOM 0 HE3 LYS A 73 -6.631 -13.857 0.499 1.00 50.14 H new ATOM 0 HZ1 LYS A 73 -7.719 -14.064 -1.613 1.00 40.32 H new ATOM 0 HZ2 LYS A 73 -8.413 -12.766 -0.766 1.00 40.32 H new ATOM 0 HZ3 LYS A 73 -7.326 -12.467 -2.036 1.00 40.32 H new ATOM 1189 N ALA A 74 -2.384 -8.276 -0.820 1.00 64.22 N ATOM 1190 CA ALA A 74 -1.287 -8.167 -1.805 1.00 31.04 C ATOM 1191 C ALA A 74 0.090 -8.400 -1.160 1.00 21.14 C ATOM 1192 O ALA A 74 0.890 -9.207 -1.649 1.00 23.34 O ATOM 1193 CB ALA A 74 -1.330 -6.789 -2.490 1.00 14.31 C ATOM 0 H ALA A 74 -2.648 -7.381 -0.408 1.00 64.22 H new ATOM 0 HA ALA A 74 -1.433 -8.948 -2.552 1.00 31.04 H new ATOM 0 HB1 ALA A 74 -0.518 -6.717 -3.214 1.00 14.31 H new ATOM 0 HB2 ALA A 74 -2.285 -6.667 -3.002 1.00 14.31 H new ATOM 0 HB3 ALA A 74 -1.217 -6.006 -1.740 1.00 14.31 H new ATOM 1199 N LEU A 75 0.353 -7.689 -0.048 1.00 32.44 N ATOM 1200 CA LEU A 75 1.702 -7.656 0.576 1.00 1.13 C ATOM 1201 C LEU A 75 1.943 -8.852 1.511 1.00 3.33 C ATOM 1202 O LEU A 75 3.107 -9.228 1.709 1.00 63.45 O ATOM 1203 CB LEU A 75 1.999 -6.289 1.298 1.00 10.41 C ATOM 1204 CG LEU A 75 2.469 -5.070 0.403 1.00 14.21 C ATOM 1205 CD1 LEU A 75 1.551 -4.779 -0.803 1.00 71.25 C ATOM 1206 CD2 LEU A 75 2.635 -3.796 1.262 1.00 32.45 C ATOM 0 H LEU A 75 -0.345 -7.129 0.441 1.00 32.44 H new ATOM 0 HA LEU A 75 2.414 -7.742 -0.244 1.00 1.13 H new ATOM 0 HB2 LEU A 75 1.096 -5.987 1.828 1.00 10.41 H new ATOM 0 HB3 LEU A 75 2.766 -6.467 2.051 1.00 10.41 H new ATOM 0 HG LEU A 75 3.431 -5.368 -0.014 1.00 14.21 H new ATOM 0 HD11 LEU A 75 1.944 -3.930 -1.363 1.00 71.25 H new ATOM 0 HD12 LEU A 75 1.513 -5.655 -1.451 1.00 71.25 H new ATOM 0 HD13 LEU A 75 0.547 -4.546 -0.448 1.00 71.25 H new ATOM 0 HD21 LEU A 75 2.958 -2.970 0.629 1.00 32.45 H new ATOM 0 HD22 LEU A 75 1.682 -3.545 1.728 1.00 32.45 H new ATOM 0 HD23 LEU A 75 3.382 -3.974 2.036 1.00 32.45 H new ATOM 1218 N THR A 76 0.875 -9.455 2.089 1.00 65.21 N ATOM 1219 CA THR A 76 1.036 -10.648 2.961 1.00 14.33 C ATOM 1220 C THR A 76 1.594 -11.891 2.202 1.00 2.35 C ATOM 1221 O THR A 76 2.528 -12.490 2.733 1.00 44.45 O ATOM 1222 CB THR A 76 -0.259 -11.008 3.778 1.00 75.21 C ATOM 1223 OG1 THR A 76 -0.579 -9.924 4.653 1.00 64.33 O ATOM 1224 CG2 THR A 76 -0.119 -12.303 4.608 1.00 75.15 C ATOM 0 H THR A 76 -0.089 -9.144 1.972 1.00 65.21 H new ATOM 0 HA THR A 76 1.791 -10.354 3.690 1.00 14.33 H new ATOM 0 HB THR A 76 -1.054 -11.179 3.052 1.00 75.21 H new ATOM 0 HG1 THR A 76 -1.293 -9.383 4.256 1.00 64.33 H new ATOM 0 HG21 THR A 76 -1.048 -12.492 5.146 1.00 75.15 H new ATOM 0 HG22 THR A 76 0.092 -13.140 3.943 1.00 75.15 H new ATOM 0 HG23 THR A 76 0.698 -12.192 5.321 1.00 75.15 H new ATOM 1232 N PRO A 77 1.086 -12.322 0.978 1.00 45.25 N ATOM 1233 CA PRO A 77 1.690 -13.470 0.248 1.00 41.00 C ATOM 1234 C PRO A 77 3.173 -13.230 -0.112 1.00 54.31 C ATOM 1235 O PRO A 77 3.999 -14.146 -0.020 1.00 42.44 O ATOM 1236 CB PRO A 77 0.801 -13.629 -1.023 1.00 1.43 C ATOM 1237 CG PRO A 77 -0.489 -12.954 -0.671 1.00 23.02 C ATOM 1238 CD PRO A 77 -0.094 -11.800 0.226 1.00 13.23 C ATOM 0 HA PRO A 77 1.707 -14.373 0.859 1.00 41.00 H new ATOM 0 HB2 PRO A 77 1.266 -13.165 -1.893 1.00 1.43 H new ATOM 0 HB3 PRO A 77 0.644 -14.680 -1.268 1.00 1.43 H new ATOM 0 HG2 PRO A 77 -1.006 -12.601 -1.563 1.00 23.02 H new ATOM 0 HG3 PRO A 77 -1.166 -13.638 -0.159 1.00 23.02 H new ATOM 0 HD2 PRO A 77 0.161 -10.912 -0.353 1.00 13.23 H new ATOM 0 HD3 PRO A 77 -0.905 -11.520 0.898 1.00 13.23 H new ATOM 1246 N LEU A 78 3.503 -11.972 -0.483 1.00 41.14 N ATOM 1247 CA LEU A 78 4.897 -11.579 -0.825 1.00 55.13 C ATOM 1248 C LEU A 78 5.794 -11.593 0.438 1.00 2.33 C ATOM 1249 O LEU A 78 7.005 -11.863 0.355 1.00 12.01 O ATOM 1250 CB LEU A 78 4.975 -10.174 -1.524 1.00 21.13 C ATOM 1251 CG LEU A 78 4.008 -9.913 -2.754 1.00 63.12 C ATOM 1252 CD1 LEU A 78 4.196 -8.506 -3.378 1.00 3.32 C ATOM 1253 CD2 LEU A 78 4.129 -10.982 -3.868 1.00 75.05 C ATOM 0 H LEU A 78 2.828 -11.211 -0.554 1.00 41.14 H new ATOM 0 HA LEU A 78 5.263 -12.317 -1.538 1.00 55.13 H new ATOM 0 HB2 LEU A 78 4.774 -9.412 -0.771 1.00 21.13 H new ATOM 0 HB3 LEU A 78 6.000 -10.024 -1.864 1.00 21.13 H new ATOM 0 HG LEU A 78 3.008 -9.978 -2.326 1.00 63.12 H new ATOM 0 HD11 LEU A 78 3.508 -8.384 -4.215 1.00 3.32 H new ATOM 0 HD12 LEU A 78 3.991 -7.744 -2.626 1.00 3.32 H new ATOM 0 HD13 LEU A 78 5.221 -8.399 -3.732 1.00 3.32 H new ATOM 0 HD21 LEU A 78 3.440 -10.743 -4.678 1.00 75.05 H new ATOM 0 HD22 LEU A 78 5.149 -10.995 -4.251 1.00 75.05 H new ATOM 0 HD23 LEU A 78 3.882 -11.962 -3.460 1.00 75.05 H new ATOM 1265 N ALA A 79 5.176 -11.290 1.604 1.00 25.10 N ATOM 1266 CA ALA A 79 5.856 -11.298 2.911 1.00 2.43 C ATOM 1267 C ALA A 79 6.129 -12.735 3.380 1.00 65.53 C ATOM 1268 O ALA A 79 7.242 -13.035 3.831 1.00 4.45 O ATOM 1269 CB ALA A 79 5.029 -10.517 3.946 1.00 31.23 C ATOM 0 H ALA A 79 4.190 -11.033 1.660 1.00 25.10 H new ATOM 0 HA ALA A 79 6.821 -10.802 2.804 1.00 2.43 H new ATOM 0 HB1 ALA A 79 5.543 -10.531 4.907 1.00 31.23 H new ATOM 0 HB2 ALA A 79 4.909 -9.486 3.613 1.00 31.23 H new ATOM 0 HB3 ALA A 79 4.048 -10.980 4.052 1.00 31.23 H new ATOM 1275 N ILE A 80 5.118 -13.624 3.227 1.00 15.54 N ATOM 1276 CA ILE A 80 5.222 -15.057 3.597 1.00 50.23 C ATOM 1277 C ILE A 80 6.344 -15.732 2.784 1.00 61.32 C ATOM 1278 O ILE A 80 7.158 -16.479 3.341 1.00 45.33 O ATOM 1279 CB ILE A 80 3.847 -15.815 3.377 1.00 23.25 C ATOM 1280 CG1 ILE A 80 2.713 -15.223 4.284 1.00 35.54 C ATOM 1281 CG2 ILE A 80 3.988 -17.350 3.594 1.00 54.13 C ATOM 1282 CD1 ILE A 80 1.318 -15.766 3.997 1.00 1.22 C ATOM 0 H ILE A 80 4.208 -13.368 2.844 1.00 15.54 H new ATOM 0 HA ILE A 80 5.465 -15.115 4.658 1.00 50.23 H new ATOM 0 HB ILE A 80 3.562 -15.657 2.337 1.00 23.25 H new ATOM 0 HG12 ILE A 80 2.959 -15.424 5.327 1.00 35.54 H new ATOM 0 HG13 ILE A 80 2.698 -14.140 4.163 1.00 35.54 H new ATOM 0 HG21 ILE A 80 3.023 -17.830 3.433 1.00 54.13 H new ATOM 0 HG22 ILE A 80 4.715 -17.752 2.889 1.00 54.13 H new ATOM 0 HG23 ILE A 80 4.325 -17.544 4.612 1.00 54.13 H new ATOM 0 HD11 ILE A 80 0.600 -15.300 4.672 1.00 1.22 H new ATOM 0 HD12 ILE A 80 1.045 -15.541 2.966 1.00 1.22 H new ATOM 0 HD13 ILE A 80 1.310 -16.846 4.148 1.00 1.22 H new ATOM 1294 N ASN A 81 6.403 -15.421 1.476 1.00 41.30 N ATOM 1295 CA ASN A 81 7.456 -15.936 0.570 1.00 31.32 C ATOM 1296 C ASN A 81 8.816 -15.259 0.838 1.00 45.30 C ATOM 1297 O ASN A 81 9.847 -15.743 0.347 1.00 65.22 O ATOM 1298 CB ASN A 81 7.057 -15.739 -0.923 1.00 12.22 C ATOM 1299 CG ASN A 81 5.866 -16.582 -1.371 1.00 62.10 C ATOM 1300 OD1 ASN A 81 4.965 -16.864 -0.593 1.00 64.50 O ATOM 1301 ND2 ASN A 81 5.853 -16.994 -2.628 1.00 51.53 N ATOM 0 H ASN A 81 5.728 -14.810 1.016 1.00 41.30 H new ATOM 0 HA ASN A 81 7.556 -17.002 0.772 1.00 31.32 H new ATOM 0 HB2 ASN A 81 6.826 -14.687 -1.089 1.00 12.22 H new ATOM 0 HB3 ASN A 81 7.915 -15.980 -1.551 1.00 12.22 H new ATOM 0 HD21 ASN A 81 5.078 -17.562 -2.971 1.00 51.53 H new ATOM 0 HD22 ASN A 81 6.618 -16.744 -3.255 1.00 51.53 H new ATOM 1308 N ARG A 82 8.802 -14.133 1.596 1.00 73.04 N ATOM 1309 CA ARG A 82 10.019 -13.405 2.016 1.00 51.21 C ATOM 1310 C ARG A 82 10.760 -12.813 0.793 1.00 33.01 C ATOM 1311 O ARG A 82 11.935 -13.128 0.553 1.00 52.14 O ATOM 1312 CB ARG A 82 10.988 -14.301 2.872 1.00 13.53 C ATOM 1313 CG ARG A 82 10.411 -14.919 4.172 1.00 50.01 C ATOM 1314 CD ARG A 82 11.399 -15.907 4.823 1.00 12.23 C ATOM 1315 NE ARG A 82 10.874 -16.521 6.055 1.00 61.44 N ATOM 1316 CZ ARG A 82 11.286 -17.693 6.564 1.00 22.34 C ATOM 1317 NH1 ARG A 82 12.231 -18.415 5.962 1.00 42.42 N ATOM 1318 NH2 ARG A 82 10.757 -18.144 7.690 1.00 53.22 N ATOM 0 H ARG A 82 7.939 -13.705 1.933 1.00 73.04 H new ATOM 0 HA ARG A 82 9.691 -12.585 2.655 1.00 51.21 H new ATOM 0 HB2 ARG A 82 11.345 -15.114 2.240 1.00 13.53 H new ATOM 0 HB3 ARG A 82 11.857 -13.700 3.139 1.00 13.53 H new ATOM 0 HG2 ARG A 82 10.174 -14.124 4.878 1.00 50.01 H new ATOM 0 HG3 ARG A 82 9.477 -15.434 3.946 1.00 50.01 H new ATOM 0 HD2 ARG A 82 11.642 -16.693 4.108 1.00 12.23 H new ATOM 0 HD3 ARG A 82 12.328 -15.385 5.052 1.00 12.23 H new ATOM 0 HE ARG A 82 10.143 -16.018 6.559 1.00 61.44 H new ATOM 0 HH11 ARG A 82 12.656 -18.080 5.097 1.00 42.42 H new ATOM 0 HH12 ARG A 82 12.529 -19.303 6.366 1.00 42.42 H new ATOM 0 HH21 ARG A 82 10.038 -17.602 8.169 1.00 53.22 H new ATOM 0 HH22 ARG A 82 11.068 -19.034 8.079 1.00 53.22 H new ATOM 1332 N THR A 83 10.063 -11.975 0.008 1.00 0.40 N ATOM 1333 CA THR A 83 10.666 -11.312 -1.178 1.00 55.44 C ATOM 1334 C THR A 83 10.158 -9.857 -1.334 1.00 14.54 C ATOM 1335 O THR A 83 10.421 -9.213 -2.352 1.00 52.12 O ATOM 1336 CB THR A 83 10.416 -12.157 -2.490 1.00 21.44 C ATOM 1337 OG1 THR A 83 11.360 -11.790 -3.516 1.00 3.21 O ATOM 1338 CG2 THR A 83 8.983 -11.995 -3.044 1.00 62.44 C ATOM 0 H THR A 83 9.084 -11.736 0.166 1.00 0.40 H new ATOM 0 HA THR A 83 11.743 -11.262 -1.017 1.00 55.44 H new ATOM 0 HB THR A 83 10.550 -13.202 -2.209 1.00 21.44 H new ATOM 0 HG1 THR A 83 11.437 -10.814 -3.556 1.00 3.21 H new ATOM 0 HG21 THR A 83 8.871 -12.598 -3.945 1.00 62.44 H new ATOM 0 HG22 THR A 83 8.264 -12.325 -2.294 1.00 62.44 H new ATOM 0 HG23 THR A 83 8.802 -10.947 -3.284 1.00 62.44 H new ATOM 1346 N LEU A 84 9.442 -9.342 -0.312 1.00 73.20 N ATOM 1347 CA LEU A 84 8.948 -7.949 -0.310 1.00 43.40 C ATOM 1348 C LEU A 84 10.141 -6.973 -0.199 1.00 12.14 C ATOM 1349 O LEU A 84 11.093 -7.230 0.554 1.00 74.53 O ATOM 1350 CB LEU A 84 7.941 -7.735 0.861 1.00 72.23 C ATOM 1351 CG LEU A 84 7.279 -6.311 1.022 1.00 22.44 C ATOM 1352 CD1 LEU A 84 6.152 -6.062 -0.010 1.00 30.32 C ATOM 1353 CD2 LEU A 84 6.760 -6.102 2.459 1.00 74.20 C ATOM 0 H LEU A 84 9.193 -9.871 0.524 1.00 73.20 H new ATOM 0 HA LEU A 84 8.424 -7.751 -1.245 1.00 43.40 H new ATOM 0 HB2 LEU A 84 7.139 -8.465 0.749 1.00 72.23 H new ATOM 0 HB3 LEU A 84 8.457 -7.970 1.792 1.00 72.23 H new ATOM 0 HG LEU A 84 8.060 -5.577 0.824 1.00 22.44 H new ATOM 0 HD11 LEU A 84 5.730 -5.069 0.144 1.00 30.32 H new ATOM 0 HD12 LEU A 84 6.560 -6.130 -1.018 1.00 30.32 H new ATOM 0 HD13 LEU A 84 5.371 -6.812 0.116 1.00 30.32 H new ATOM 0 HD21 LEU A 84 6.309 -5.113 2.543 1.00 74.20 H new ATOM 0 HD22 LEU A 84 6.014 -6.862 2.691 1.00 74.20 H new ATOM 0 HD23 LEU A 84 7.590 -6.183 3.161 1.00 74.20 H new ATOM 1365 N ASN A 85 10.069 -5.872 -0.967 1.00 53.32 N ATOM 1366 CA ASN A 85 11.153 -4.840 -1.052 1.00 62.45 C ATOM 1367 C ASN A 85 11.410 -4.204 0.335 1.00 11.13 C ATOM 1368 O ASN A 85 12.551 -3.850 0.668 1.00 71.22 O ATOM 1369 CB ASN A 85 10.811 -3.738 -2.112 1.00 61.22 C ATOM 1370 CG ASN A 85 11.925 -2.722 -2.378 1.00 73.12 C ATOM 1371 OD1 ASN A 85 13.113 -3.009 -2.227 1.00 75.13 O ATOM 1372 ND2 ASN A 85 11.543 -1.534 -2.826 1.00 54.12 N ATOM 0 H ASN A 85 9.262 -5.659 -1.553 1.00 53.32 H new ATOM 0 HA ASN A 85 12.065 -5.341 -1.377 1.00 62.45 H new ATOM 0 HB2 ASN A 85 10.555 -4.227 -3.052 1.00 61.22 H new ATOM 0 HB3 ASN A 85 9.923 -3.201 -1.780 1.00 61.22 H new ATOM 0 HD21 ASN A 85 12.241 -0.827 -3.056 1.00 54.12 H new ATOM 0 HD22 ASN A 85 10.551 -1.327 -2.940 1.00 54.12 H new ATOM 1379 N HIS A 86 10.308 -4.051 1.120 1.00 75.23 N ATOM 1380 CA HIS A 86 10.332 -3.706 2.566 1.00 13.33 C ATOM 1381 C HIS A 86 10.759 -2.228 2.822 1.00 44.01 C ATOM 1382 O HIS A 86 10.940 -1.819 3.970 1.00 64.33 O ATOM 1383 CB HIS A 86 11.222 -4.743 3.324 1.00 22.22 C ATOM 1384 CG HIS A 86 11.223 -4.662 4.830 1.00 45.50 C ATOM 1385 ND1 HIS A 86 12.236 -4.058 5.550 1.00 31.44 N ATOM 1386 CD2 HIS A 86 10.356 -5.147 5.747 1.00 52.13 C ATOM 1387 CE1 HIS A 86 11.983 -4.176 6.839 1.00 33.25 C ATOM 1388 NE2 HIS A 86 10.852 -4.833 6.982 1.00 24.24 N ATOM 0 H HIS A 86 9.362 -4.167 0.757 1.00 75.23 H new ATOM 0 HA HIS A 86 9.319 -3.770 2.962 1.00 13.33 H new ATOM 0 HB2 HIS A 86 10.898 -5.743 3.037 1.00 22.22 H new ATOM 0 HB3 HIS A 86 12.249 -4.629 2.976 1.00 22.22 H new ATOM 0 HD2 HIS A 86 9.441 -5.683 5.542 1.00 52.13 H new ATOM 0 HE1 HIS A 86 12.599 -3.798 7.641 1.00 33.25 H new ATOM 0 HE2 HIS A 86 10.415 -5.070 7.872 1.00 24.24 H new ATOM 1397 N ASP A 87 10.870 -1.409 1.749 1.00 44.14 N ATOM 1398 CA ASP A 87 11.228 0.036 1.875 1.00 73.54 C ATOM 1399 C ASP A 87 9.994 0.929 2.168 1.00 5.02 C ATOM 1400 O ASP A 87 10.149 2.144 2.371 1.00 34.21 O ATOM 1401 CB ASP A 87 12.033 0.558 0.634 1.00 22.02 C ATOM 1402 CG ASP A 87 13.480 0.030 0.602 1.00 73.13 C ATOM 1403 OD1 ASP A 87 13.788 -0.876 -0.190 1.00 21.12 O ATOM 1404 OD2 ASP A 87 14.324 0.530 1.383 1.00 53.23 O ATOM 0 H ASP A 87 10.719 -1.716 0.788 1.00 44.14 H new ATOM 0 HA ASP A 87 11.886 0.110 2.741 1.00 73.54 H new ATOM 0 HB2 ASP A 87 11.520 0.258 -0.280 1.00 22.02 H new ATOM 0 HB3 ASP A 87 12.048 1.648 0.647 1.00 22.02 H new ATOM 1409 N LEU A 88 8.775 0.338 2.201 1.00 22.20 N ATOM 1410 CA LEU A 88 7.559 1.001 2.752 1.00 33.40 C ATOM 1411 C LEU A 88 6.929 0.086 3.816 1.00 54.13 C ATOM 1412 O LEU A 88 5.693 0.027 3.971 1.00 52.14 O ATOM 1413 CB LEU A 88 6.519 1.425 1.664 1.00 21.30 C ATOM 1414 CG LEU A 88 6.192 0.403 0.514 1.00 60.24 C ATOM 1415 CD1 LEU A 88 4.725 0.532 0.046 1.00 71.32 C ATOM 1416 CD2 LEU A 88 7.156 0.598 -0.688 1.00 3.42 C ATOM 0 H LEU A 88 8.603 -0.604 1.850 1.00 22.20 H new ATOM 0 HA LEU A 88 7.875 1.939 3.208 1.00 33.40 H new ATOM 0 HB2 LEU A 88 5.585 1.666 2.171 1.00 21.30 H new ATOM 0 HB3 LEU A 88 6.877 2.345 1.201 1.00 21.30 H new ATOM 0 HG LEU A 88 6.333 -0.600 0.918 1.00 60.24 H new ATOM 0 HD11 LEU A 88 4.532 -0.188 -0.749 1.00 71.32 H new ATOM 0 HD12 LEU A 88 4.057 0.335 0.884 1.00 71.32 H new ATOM 0 HD13 LEU A 88 4.550 1.541 -0.328 1.00 71.32 H new ATOM 0 HD21 LEU A 88 6.911 -0.120 -1.471 1.00 3.42 H new ATOM 0 HD22 LEU A 88 7.051 1.610 -1.078 1.00 3.42 H new ATOM 0 HD23 LEU A 88 8.183 0.440 -0.360 1.00 3.42 H new ATOM 1428 N SER A 89 7.819 -0.585 4.589 1.00 3.34 N ATOM 1429 CA SER A 89 7.444 -1.514 5.672 1.00 42.14 C ATOM 1430 C SER A 89 6.538 -0.841 6.710 1.00 2.54 C ATOM 1431 O SER A 89 5.704 -1.510 7.328 1.00 63.54 O ATOM 1432 CB SER A 89 8.713 -2.054 6.354 1.00 73.31 C ATOM 1433 OG SER A 89 8.414 -2.925 7.436 1.00 31.21 O ATOM 0 H SER A 89 8.828 -0.492 4.472 1.00 3.34 H new ATOM 0 HA SER A 89 6.884 -2.337 5.229 1.00 42.14 H new ATOM 0 HB2 SER A 89 9.320 -2.585 5.620 1.00 73.31 H new ATOM 0 HB3 SER A 89 9.311 -1.218 6.718 1.00 73.31 H new ATOM 0 HG SER A 89 9.113 -3.608 7.509 1.00 31.21 H new ATOM 1439 N GLU A 90 6.711 0.487 6.870 1.00 61.12 N ATOM 1440 CA GLU A 90 5.957 1.303 7.822 1.00 71.34 C ATOM 1441 C GLU A 90 4.444 1.197 7.556 1.00 51.23 C ATOM 1442 O GLU A 90 3.663 1.169 8.491 1.00 30.44 O ATOM 1443 CB GLU A 90 6.396 2.790 7.720 1.00 31.32 C ATOM 1444 CG GLU A 90 5.999 3.666 8.928 1.00 2.11 C ATOM 1445 CD GLU A 90 6.816 3.341 10.196 1.00 64.34 C ATOM 1446 OE1 GLU A 90 8.001 3.735 10.262 1.00 24.23 O ATOM 1447 OE2 GLU A 90 6.282 2.706 11.135 1.00 71.34 O ATOM 0 H GLU A 90 7.390 1.023 6.330 1.00 61.12 H new ATOM 0 HA GLU A 90 6.165 0.930 8.825 1.00 71.34 H new ATOM 0 HB2 GLU A 90 7.479 2.827 7.602 1.00 31.32 H new ATOM 0 HB3 GLU A 90 5.962 3.221 6.818 1.00 31.32 H new ATOM 0 HG2 GLU A 90 6.138 4.716 8.671 1.00 2.11 H new ATOM 0 HG3 GLU A 90 4.939 3.527 9.139 1.00 2.11 H new ATOM 1454 N LEU A 91 4.065 1.116 6.261 1.00 43.32 N ATOM 1455 CA LEU A 91 2.659 1.049 5.817 1.00 20.41 C ATOM 1456 C LEU A 91 2.051 -0.334 6.118 1.00 2.21 C ATOM 1457 O LEU A 91 0.938 -0.434 6.678 1.00 74.43 O ATOM 1458 CB LEU A 91 2.571 1.371 4.303 1.00 71.05 C ATOM 1459 CG LEU A 91 1.150 1.305 3.657 1.00 22.23 C ATOM 1460 CD1 LEU A 91 0.168 2.254 4.372 1.00 1.45 C ATOM 1461 CD2 LEU A 91 1.223 1.596 2.143 1.00 52.43 C ATOM 0 H LEU A 91 4.733 1.095 5.491 1.00 43.32 H new ATOM 0 HA LEU A 91 2.082 1.791 6.370 1.00 20.41 H new ATOM 0 HB2 LEU A 91 2.972 2.372 4.143 1.00 71.05 H new ATOM 0 HB3 LEU A 91 3.221 0.678 3.769 1.00 71.05 H new ATOM 0 HG LEU A 91 0.767 0.292 3.781 1.00 22.23 H new ATOM 0 HD11 LEU A 91 -0.812 2.186 3.900 1.00 1.45 H new ATOM 0 HD12 LEU A 91 0.086 1.970 5.421 1.00 1.45 H new ATOM 0 HD13 LEU A 91 0.535 3.278 4.301 1.00 1.45 H new ATOM 0 HD21 LEU A 91 0.222 1.545 1.714 1.00 52.43 H new ATOM 0 HD22 LEU A 91 1.636 2.592 1.983 1.00 52.43 H new ATOM 0 HD23 LEU A 91 1.863 0.857 1.661 1.00 52.43 H new ATOM 1473 N TYR A 92 2.809 -1.400 5.767 1.00 74.22 N ATOM 1474 CA TYR A 92 2.377 -2.793 5.969 1.00 75.22 C ATOM 1475 C TYR A 92 2.340 -3.127 7.478 1.00 70.14 C ATOM 1476 O TYR A 92 1.599 -4.008 7.908 1.00 62.33 O ATOM 1477 CB TYR A 92 3.314 -3.767 5.196 1.00 44.21 C ATOM 1478 CG TYR A 92 2.948 -5.258 5.328 1.00 43.25 C ATOM 1479 CD1 TYR A 92 3.904 -6.214 5.704 1.00 24.21 C ATOM 1480 CD2 TYR A 92 1.640 -5.710 5.094 1.00 65.43 C ATOM 1481 CE1 TYR A 92 3.572 -7.544 5.844 1.00 44.43 C ATOM 1482 CE2 TYR A 92 1.310 -7.042 5.229 1.00 70.01 C ATOM 1483 CZ TYR A 92 2.278 -7.954 5.604 1.00 22.33 C ATOM 1484 OH TYR A 92 1.947 -9.284 5.760 1.00 72.20 O ATOM 0 H TYR A 92 3.731 -1.314 5.339 1.00 74.22 H new ATOM 0 HA TYR A 92 1.369 -2.914 5.573 1.00 75.22 H new ATOM 0 HB2 TYR A 92 3.304 -3.497 4.140 1.00 44.21 H new ATOM 0 HB3 TYR A 92 4.335 -3.625 5.551 1.00 44.21 H new ATOM 0 HD1 TYR A 92 4.921 -5.901 5.887 1.00 24.21 H new ATOM 0 HD2 TYR A 92 0.878 -5.002 4.803 1.00 65.43 H new ATOM 0 HE1 TYR A 92 4.322 -8.262 6.140 1.00 44.43 H new ATOM 0 HE2 TYR A 92 0.299 -7.371 5.042 1.00 70.01 H new ATOM 0 HH TYR A 92 1.041 -9.438 5.419 1.00 72.20 H new ATOM 1494 N LYS A 93 3.132 -2.377 8.267 1.00 45.51 N ATOM 1495 CA LYS A 93 3.154 -2.493 9.739 1.00 60.32 C ATOM 1496 C LYS A 93 2.014 -1.640 10.324 1.00 12.24 C ATOM 1497 O LYS A 93 1.394 -2.030 11.309 1.00 2.32 O ATOM 1498 CB LYS A 93 4.541 -2.076 10.355 1.00 42.53 C ATOM 1499 CG LYS A 93 5.642 -3.183 10.387 1.00 12.30 C ATOM 1500 CD LYS A 93 5.192 -4.448 11.160 1.00 31.54 C ATOM 1501 CE LYS A 93 6.284 -5.538 11.252 1.00 54.42 C ATOM 1502 NZ LYS A 93 7.420 -5.138 12.133 1.00 53.03 N ATOM 0 H LYS A 93 3.775 -1.674 7.903 1.00 45.51 H new ATOM 0 HA LYS A 93 3.007 -3.541 10.002 1.00 60.32 H new ATOM 0 HB2 LYS A 93 4.925 -1.227 9.790 1.00 42.53 H new ATOM 0 HB3 LYS A 93 4.373 -1.730 11.375 1.00 42.53 H new ATOM 0 HG2 LYS A 93 5.904 -3.460 9.366 1.00 12.30 H new ATOM 0 HG3 LYS A 93 6.543 -2.781 10.849 1.00 12.30 H new ATOM 0 HD2 LYS A 93 4.892 -4.160 12.168 1.00 31.54 H new ATOM 0 HD3 LYS A 93 4.312 -4.867 10.673 1.00 31.54 H new ATOM 0 HE2 LYS A 93 5.842 -6.459 11.631 1.00 54.42 H new ATOM 0 HE3 LYS A 93 6.662 -5.754 10.253 1.00 54.42 H new ATOM 0 HZ1 LYS A 93 8.124 -5.903 12.160 1.00 53.03 H new ATOM 0 HZ2 LYS A 93 7.862 -4.274 11.759 1.00 53.03 H new ATOM 0 HZ3 LYS A 93 7.067 -4.958 13.094 1.00 53.03 H new ATOM 1516 N PHE A 94 1.730 -0.493 9.669 1.00 21.31 N ATOM 1517 CA PHE A 94 0.744 0.501 10.147 1.00 33.41 C ATOM 1518 C PHE A 94 -0.662 -0.106 10.207 1.00 32.32 C ATOM 1519 O PHE A 94 -1.272 -0.161 11.282 1.00 1.24 O ATOM 1520 CB PHE A 94 0.795 1.777 9.249 1.00 4.01 C ATOM 1521 CG PHE A 94 -0.174 2.896 9.631 1.00 35.25 C ATOM 1522 CD1 PHE A 94 -1.321 3.152 8.871 1.00 25.21 C ATOM 1523 CD2 PHE A 94 0.054 3.687 10.758 1.00 72.41 C ATOM 1524 CE1 PHE A 94 -2.199 4.152 9.228 1.00 64.42 C ATOM 1525 CE2 PHE A 94 -0.832 4.691 11.111 1.00 54.34 C ATOM 1526 CZ PHE A 94 -1.955 4.921 10.346 1.00 62.23 C ATOM 0 H PHE A 94 2.179 -0.230 8.792 1.00 21.31 H new ATOM 0 HA PHE A 94 1.002 0.798 11.164 1.00 33.41 H new ATOM 0 HB2 PHE A 94 1.809 2.176 9.273 1.00 4.01 H new ATOM 0 HB3 PHE A 94 0.593 1.482 8.219 1.00 4.01 H new ATOM 0 HD1 PHE A 94 -1.521 2.557 7.992 1.00 25.21 H new ATOM 0 HD2 PHE A 94 0.932 3.514 11.362 1.00 72.41 H new ATOM 0 HE1 PHE A 94 -3.080 4.334 8.631 1.00 64.42 H new ATOM 0 HE2 PHE A 94 -0.643 5.294 11.987 1.00 54.34 H new ATOM 0 HZ PHE A 94 -2.645 5.705 10.623 1.00 62.23 H new ATOM 1536 N ILE A 95 -1.133 -0.638 9.065 1.00 45.15 N ATOM 1537 CA ILE A 95 -2.516 -1.157 8.952 1.00 64.15 C ATOM 1538 C ILE A 95 -2.716 -2.498 9.723 1.00 25.44 C ATOM 1539 O ILE A 95 -3.845 -2.994 9.821 1.00 63.41 O ATOM 1540 CB ILE A 95 -3.004 -1.271 7.447 1.00 12.24 C ATOM 1541 CG1 ILE A 95 -2.393 -2.511 6.685 1.00 25.52 C ATOM 1542 CG2 ILE A 95 -2.784 0.069 6.686 1.00 55.04 C ATOM 1543 CD1 ILE A 95 -2.618 -2.528 5.177 1.00 13.15 C ATOM 0 H ILE A 95 -0.583 -0.722 8.210 1.00 45.15 H new ATOM 0 HA ILE A 95 -3.151 -0.415 9.435 1.00 64.15 H new ATOM 0 HB ILE A 95 -4.077 -1.460 7.476 1.00 12.24 H new ATOM 0 HG12 ILE A 95 -1.320 -2.540 6.875 1.00 25.52 H new ATOM 0 HG13 ILE A 95 -2.817 -3.421 7.109 1.00 25.52 H new ATOM 0 HG21 ILE A 95 -3.127 -0.037 5.657 1.00 55.04 H new ATOM 0 HG22 ILE A 95 -3.347 0.863 7.177 1.00 55.04 H new ATOM 0 HG23 ILE A 95 -1.723 0.320 6.691 1.00 55.04 H new ATOM 0 HD11 ILE A 95 -2.159 -3.420 4.751 1.00 13.15 H new ATOM 0 HD12 ILE A 95 -3.688 -2.535 4.969 1.00 13.15 H new ATOM 0 HD13 ILE A 95 -2.168 -1.641 4.732 1.00 13.15 H new ATOM 1555 N THR A 96 -1.619 -3.063 10.291 1.00 61.11 N ATOM 1556 CA THR A 96 -1.660 -4.309 11.102 1.00 53.32 C ATOM 1557 C THR A 96 -1.355 -4.030 12.595 1.00 41.50 C ATOM 1558 O THR A 96 -1.414 -4.948 13.418 1.00 21.35 O ATOM 1559 CB THR A 96 -0.647 -5.368 10.570 1.00 44.13 C ATOM 1560 OG1 THR A 96 0.638 -4.751 10.408 1.00 10.50 O ATOM 1561 CG2 THR A 96 -1.081 -6.008 9.234 1.00 53.33 C ATOM 0 H THR A 96 -0.683 -2.669 10.200 1.00 61.11 H new ATOM 0 HA THR A 96 -2.673 -4.701 11.013 1.00 53.32 H new ATOM 0 HB THR A 96 -0.606 -6.171 11.306 1.00 44.13 H new ATOM 0 HG1 THR A 96 0.802 -4.582 9.457 1.00 10.50 H new ATOM 0 HG21 THR A 96 -0.333 -6.736 8.919 1.00 53.33 H new ATOM 0 HG22 THR A 96 -2.041 -6.508 9.365 1.00 53.33 H new ATOM 0 HG23 THR A 96 -1.176 -5.233 8.473 1.00 53.33 H new