USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 HIS : no HD1:sc=-0.00313 X(o=0.69,f=0.42) USER MOD Set 1.2: A 89 SER OG : rot 87:sc= 0.696 USER MOD Set 2.1: A 76 THR OG1 : rot 83:sc= 1.52 USER MOD Set 2.2: A 92 TYR OH : rot -139:sc= 0.51 USER MOD Single : A 29 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.8!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -159:sc= -0.227 (180deg=-1.17) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 140:sc= 0.97 (180deg=-0.364) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0886 K(o=-0.089,f=-1.9!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 56 LYS NZ :NH3+ -172:sc=-0.00225 (180deg=-0.0812) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 61 SER OG : rot -45:sc= 0.389 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= -0.004 (180deg=-0.0795) USER MOD Single : A 70 ASN : amide:sc= -0.0964 X(o=-0.096,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= -0.0221 (180deg=-0.203) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 83 THR OG1 : rot -37:sc= 0.0411 USER MOD Single : A 85 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.33) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 16:sc= 0.414 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -5.824 8.733 5.820 1.00 61.33 N ATOM 437 CA GLU A 28 -5.666 8.722 4.360 1.00 60.11 C ATOM 438 C GLU A 28 -4.420 9.520 3.967 1.00 71.33 C ATOM 439 O GLU A 28 -3.655 9.081 3.108 1.00 62.24 O ATOM 440 CB GLU A 28 -6.917 9.272 3.634 1.00 52.41 C ATOM 441 CG GLU A 28 -6.806 9.248 2.090 1.00 53.43 C ATOM 442 CD GLU A 28 -8.102 9.618 1.374 1.00 70.51 C ATOM 443 OE1 GLU A 28 -8.565 10.761 1.536 1.00 73.11 O ATOM 444 OE2 GLU A 28 -8.664 8.775 0.638 1.00 70.30 O ATOM 0 HA GLU A 28 -5.546 7.685 4.045 1.00 60.11 H new ATOM 0 HB2 GLU A 28 -7.786 8.688 3.935 1.00 52.41 H new ATOM 0 HB3 GLU A 28 -7.093 10.297 3.960 1.00 52.41 H new ATOM 0 HG2 GLU A 28 -6.021 9.938 1.781 1.00 53.43 H new ATOM 0 HG3 GLU A 28 -6.498 8.252 1.773 1.00 53.43 H new ATOM 451 N ASN A 29 -4.213 10.685 4.632 1.00 4.11 N ATOM 452 CA ASN A 29 -3.025 11.535 4.402 1.00 54.30 C ATOM 453 C ASN A 29 -1.745 10.796 4.798 1.00 61.45 C ATOM 454 O ASN A 29 -0.749 10.857 4.079 1.00 32.14 O ATOM 455 CB ASN A 29 -3.108 12.913 5.138 1.00 31.21 C ATOM 456 CG ASN A 29 -3.886 13.963 4.351 1.00 20.12 C ATOM 457 OD1 ASN A 29 -3.949 13.912 3.120 1.00 72.24 O ATOM 458 ND2 ASN A 29 -4.452 14.934 5.042 1.00 64.04 N ATOM 0 H ASN A 29 -4.857 11.054 5.332 1.00 4.11 H new ATOM 0 HA ASN A 29 -3.001 11.749 3.333 1.00 54.30 H new ATOM 0 HB2 ASN A 29 -3.580 12.772 6.110 1.00 31.21 H new ATOM 0 HB3 ASN A 29 -2.099 13.280 5.324 1.00 31.21 H new ATOM 0 HD21 ASN A 29 -4.962 15.674 4.559 1.00 64.04 H new ATOM 0 HD22 ASN A 29 -4.380 14.945 6.059 1.00 64.04 H new ATOM 465 N GLU A 30 -1.816 10.073 5.929 1.00 63.40 N ATOM 466 CA GLU A 30 -0.655 9.339 6.492 1.00 23.42 C ATOM 467 C GLU A 30 -0.255 8.187 5.530 1.00 13.24 C ATOM 468 O GLU A 30 0.922 8.042 5.160 1.00 13.22 O ATOM 469 CB GLU A 30 -0.981 8.795 7.934 1.00 70.24 C ATOM 470 CG GLU A 30 0.223 8.717 8.909 1.00 74.41 C ATOM 471 CD GLU A 30 1.410 7.876 8.409 1.00 13.35 C ATOM 472 OE1 GLU A 30 2.457 8.449 8.054 1.00 0.45 O ATOM 473 OE2 GLU A 30 1.295 6.641 8.368 1.00 12.51 O ATOM 0 H GLU A 30 -2.669 9.977 6.479 1.00 63.40 H new ATOM 0 HA GLU A 30 0.189 10.022 6.588 1.00 23.42 H new ATOM 0 HB2 GLU A 30 -1.745 9.432 8.379 1.00 70.24 H new ATOM 0 HB3 GLU A 30 -1.413 7.799 7.838 1.00 70.24 H new ATOM 0 HG2 GLU A 30 0.574 9.729 9.111 1.00 74.41 H new ATOM 0 HG3 GLU A 30 -0.122 8.304 9.857 1.00 74.41 H new ATOM 480 N LEU A 31 -1.277 7.430 5.083 1.00 31.13 N ATOM 481 CA LEU A 31 -1.075 6.230 4.196 1.00 74.02 C ATOM 482 C LEU A 31 -0.527 6.683 2.836 1.00 34.41 C ATOM 483 O LEU A 31 0.442 6.102 2.307 1.00 15.50 O ATOM 484 CB LEU A 31 -2.384 5.353 4.043 1.00 52.42 C ATOM 485 CG LEU A 31 -2.283 4.022 3.148 1.00 43.35 C ATOM 486 CD1 LEU A 31 -3.238 2.888 3.624 1.00 4.41 C ATOM 487 CD2 LEU A 31 -2.540 4.272 1.628 1.00 65.40 C ATOM 0 H LEU A 31 -2.254 7.614 5.312 1.00 31.13 H new ATOM 0 HA LEU A 31 -0.343 5.578 4.673 1.00 74.02 H new ATOM 0 HB2 LEU A 31 -2.714 5.064 5.041 1.00 52.42 H new ATOM 0 HB3 LEU A 31 -3.165 5.985 3.620 1.00 52.42 H new ATOM 0 HG LEU A 31 -1.250 3.702 3.284 1.00 43.35 H new ATOM 0 HD11 LEU A 31 -3.120 2.018 2.978 1.00 4.41 H new ATOM 0 HD12 LEU A 31 -2.994 2.613 4.650 1.00 4.41 H new ATOM 0 HD13 LEU A 31 -4.269 3.238 3.578 1.00 4.41 H new ATOM 0 HD21 LEU A 31 -2.456 3.331 1.085 1.00 65.40 H new ATOM 0 HD22 LEU A 31 -3.541 4.682 1.491 1.00 65.40 H new ATOM 0 HD23 LEU A 31 -1.803 4.978 1.246 1.00 65.40 H new ATOM 499 N ARG A 32 -1.118 7.773 2.313 1.00 22.45 N ATOM 500 CA ARG A 32 -0.818 8.272 0.975 1.00 21.44 C ATOM 501 C ARG A 32 0.585 8.921 0.954 1.00 2.02 C ATOM 502 O ARG A 32 1.298 8.832 -0.052 1.00 44.31 O ATOM 503 CB ARG A 32 -1.930 9.249 0.497 1.00 52.43 C ATOM 504 CG ARG A 32 -1.874 9.626 -0.999 1.00 23.23 C ATOM 505 CD ARG A 32 -1.827 8.396 -1.929 1.00 1.23 C ATOM 506 NE ARG A 32 -1.545 8.777 -3.316 1.00 33.34 N ATOM 507 CZ ARG A 32 -0.362 8.655 -3.932 1.00 14.32 C ATOM 508 NH1 ARG A 32 0.701 8.150 -3.296 1.00 4.12 N ATOM 509 NH2 ARG A 32 -0.257 9.047 -5.177 1.00 40.12 N ATOM 0 H ARG A 32 -1.815 8.326 2.812 1.00 22.45 H new ATOM 0 HA ARG A 32 -0.803 7.439 0.272 1.00 21.44 H new ATOM 0 HB2 ARG A 32 -2.901 8.800 0.706 1.00 52.43 H new ATOM 0 HB3 ARG A 32 -1.868 10.163 1.088 1.00 52.43 H new ATOM 0 HG2 ARG A 32 -2.746 10.230 -1.249 1.00 23.23 H new ATOM 0 HG3 ARG A 32 -0.995 10.245 -1.179 1.00 23.23 H new ATOM 0 HD2 ARG A 32 -1.061 7.704 -1.579 1.00 1.23 H new ATOM 0 HD3 ARG A 32 -2.779 7.868 -1.883 1.00 1.23 H new ATOM 0 HE ARG A 32 -2.315 9.168 -3.858 1.00 33.34 H new ATOM 0 HH11 ARG A 32 0.619 7.850 -2.325 1.00 4.12 H new ATOM 0 HH12 ARG A 32 1.594 8.065 -3.782 1.00 4.12 H new ATOM 0 HH21 ARG A 32 -1.067 9.436 -5.659 1.00 40.12 H new ATOM 0 HH22 ARG A 32 0.635 8.963 -5.665 1.00 40.12 H new ATOM 523 N SER A 33 0.975 9.529 2.101 1.00 24.42 N ATOM 524 CA SER A 33 2.266 10.215 2.268 1.00 53.45 C ATOM 525 C SER A 33 3.432 9.219 2.177 1.00 2.23 C ATOM 526 O SER A 33 4.413 9.473 1.471 1.00 33.33 O ATOM 527 CB SER A 33 2.306 10.958 3.619 1.00 30.33 C ATOM 528 OG SER A 33 3.528 11.654 3.800 1.00 64.51 O ATOM 0 H SER A 33 0.393 9.553 2.938 1.00 24.42 H new ATOM 0 HA SER A 33 2.372 10.941 1.462 1.00 53.45 H new ATOM 0 HB2 SER A 33 1.475 11.662 3.672 1.00 30.33 H new ATOM 0 HB3 SER A 33 2.171 10.244 4.431 1.00 30.33 H new ATOM 0 HG SER A 33 3.517 12.114 4.665 1.00 64.51 H new ATOM 534 N MET A 34 3.307 8.076 2.881 1.00 13.22 N ATOM 535 CA MET A 34 4.350 7.023 2.859 1.00 62.22 C ATOM 536 C MET A 34 4.367 6.343 1.487 1.00 23.44 C ATOM 537 O MET A 34 5.429 5.968 0.981 1.00 14.42 O ATOM 538 CB MET A 34 4.146 5.959 3.981 1.00 12.44 C ATOM 539 CG MET A 34 4.279 6.460 5.433 1.00 23.22 C ATOM 540 SD MET A 34 4.216 5.102 6.622 1.00 31.21 S ATOM 541 CE MET A 34 2.638 4.358 6.240 1.00 74.44 C ATOM 0 H MET A 34 2.502 7.857 3.468 1.00 13.22 H new ATOM 0 HA MET A 34 5.308 7.507 3.047 1.00 62.22 H new ATOM 0 HB2 MET A 34 3.155 5.521 3.860 1.00 12.44 H new ATOM 0 HB3 MET A 34 4.870 5.158 3.828 1.00 12.44 H new ATOM 0 HG2 MET A 34 5.220 6.999 5.547 1.00 23.22 H new ATOM 0 HG3 MET A 34 3.478 7.168 5.648 1.00 23.22 H new ATOM 0 HE1 MET A 34 2.295 3.774 7.094 1.00 74.44 H new ATOM 0 HE2 MET A 34 1.911 5.140 6.019 1.00 74.44 H new ATOM 0 HE3 MET A 34 2.744 3.705 5.374 1.00 74.44 H new ATOM 551 N LEU A 35 3.173 6.220 0.880 1.00 14.30 N ATOM 552 CA LEU A 35 3.028 5.615 -0.470 1.00 23.03 C ATOM 553 C LEU A 35 3.742 6.508 -1.523 1.00 51.03 C ATOM 554 O LEU A 35 4.287 5.997 -2.506 1.00 70.41 O ATOM 555 CB LEU A 35 1.509 5.362 -0.828 1.00 3.31 C ATOM 556 CG LEU A 35 1.161 4.352 -1.992 1.00 4.45 C ATOM 557 CD1 LEU A 35 -0.287 3.838 -1.875 1.00 33.12 C ATOM 558 CD2 LEU A 35 1.393 4.957 -3.394 1.00 65.05 C ATOM 0 H LEU A 35 2.294 6.528 1.295 1.00 14.30 H new ATOM 0 HA LEU A 35 3.509 4.637 -0.475 1.00 23.03 H new ATOM 0 HB2 LEU A 35 1.011 5.009 0.075 1.00 3.31 H new ATOM 0 HB3 LEU A 35 1.065 6.324 -1.082 1.00 3.31 H new ATOM 0 HG LEU A 35 1.846 3.512 -1.878 1.00 4.45 H new ATOM 0 HD11 LEU A 35 -0.494 3.145 -2.691 1.00 33.12 H new ATOM 0 HD12 LEU A 35 -0.415 3.325 -0.922 1.00 33.12 H new ATOM 0 HD13 LEU A 35 -0.977 4.680 -1.929 1.00 33.12 H new ATOM 0 HD21 LEU A 35 1.138 4.220 -4.155 1.00 65.05 H new ATOM 0 HD22 LEU A 35 0.765 5.839 -3.518 1.00 65.05 H new ATOM 0 HD23 LEU A 35 2.440 5.240 -3.499 1.00 65.05 H new ATOM 570 N ALA A 36 3.755 7.840 -1.277 1.00 14.45 N ATOM 571 CA ALA A 36 4.464 8.815 -2.132 1.00 23.44 C ATOM 572 C ALA A 36 5.974 8.535 -2.156 1.00 0.13 C ATOM 573 O ALA A 36 6.586 8.511 -3.228 1.00 53.43 O ATOM 574 CB ALA A 36 4.187 10.244 -1.649 1.00 24.40 C ATOM 0 H ALA A 36 3.276 8.265 -0.483 1.00 14.45 H new ATOM 0 HA ALA A 36 4.090 8.711 -3.150 1.00 23.44 H new ATOM 0 HB1 ALA A 36 4.715 10.953 -2.287 1.00 24.40 H new ATOM 0 HB2 ALA A 36 3.116 10.442 -1.695 1.00 24.40 H new ATOM 0 HB3 ALA A 36 4.533 10.354 -0.621 1.00 24.40 H new ATOM 580 N THR A 37 6.548 8.316 -0.952 1.00 22.22 N ATOM 581 CA THR A 37 7.962 7.938 -0.787 1.00 74.32 C ATOM 582 C THR A 37 8.251 6.602 -1.504 1.00 31.32 C ATOM 583 O THR A 37 9.249 6.471 -2.212 1.00 11.41 O ATOM 584 CB THR A 37 8.343 7.809 0.727 1.00 70.34 C ATOM 585 OG1 THR A 37 8.028 9.026 1.420 1.00 2.40 O ATOM 586 CG2 THR A 37 9.841 7.475 0.938 1.00 70.32 C ATOM 0 H THR A 37 6.041 8.397 -0.071 1.00 22.22 H new ATOM 0 HA THR A 37 8.567 8.728 -1.232 1.00 74.32 H new ATOM 0 HB THR A 37 7.759 6.981 1.129 1.00 70.34 H new ATOM 0 HG1 THR A 37 8.268 8.935 2.366 1.00 2.40 H new ATOM 0 HG21 THR A 37 10.050 7.397 2.005 1.00 70.32 H new ATOM 0 HG22 THR A 37 10.074 6.527 0.453 1.00 70.32 H new ATOM 0 HG23 THR A 37 10.454 8.265 0.505 1.00 70.32 H new ATOM 594 N ALA A 38 7.322 5.638 -1.333 1.00 14.42 N ATOM 595 CA ALA A 38 7.459 4.268 -1.850 1.00 43.55 C ATOM 596 C ALA A 38 7.490 4.221 -3.391 1.00 1.40 C ATOM 597 O ALA A 38 8.209 3.397 -3.961 1.00 72.31 O ATOM 598 CB ALA A 38 6.346 3.377 -1.277 1.00 41.31 C ATOM 0 H ALA A 38 6.450 5.794 -0.827 1.00 14.42 H new ATOM 0 HA ALA A 38 8.422 3.880 -1.518 1.00 43.55 H new ATOM 0 HB1 ALA A 38 6.455 2.364 -1.665 1.00 41.31 H new ATOM 0 HB2 ALA A 38 6.418 3.359 -0.190 1.00 41.31 H new ATOM 0 HB3 ALA A 38 5.374 3.775 -1.570 1.00 41.31 H new ATOM 604 N LEU A 39 6.733 5.121 -4.068 1.00 5.32 N ATOM 605 CA LEU A 39 6.770 5.218 -5.550 1.00 21.23 C ATOM 606 C LEU A 39 8.058 5.907 -6.035 1.00 54.31 C ATOM 607 O LEU A 39 8.424 5.757 -7.200 1.00 44.42 O ATOM 608 CB LEU A 39 5.537 5.962 -6.150 1.00 51.12 C ATOM 609 CG LEU A 39 4.092 5.442 -5.831 1.00 1.24 C ATOM 610 CD1 LEU A 39 3.053 6.212 -6.659 1.00 22.40 C ATOM 611 CD2 LEU A 39 3.908 3.907 -6.014 1.00 41.23 C ATOM 0 H LEU A 39 6.098 5.781 -3.619 1.00 5.32 H new ATOM 0 HA LEU A 39 6.744 4.188 -5.907 1.00 21.23 H new ATOM 0 HB2 LEU A 39 5.590 7.000 -5.822 1.00 51.12 H new ATOM 0 HB3 LEU A 39 5.652 5.964 -7.234 1.00 51.12 H new ATOM 0 HG LEU A 39 3.936 5.631 -4.769 1.00 1.24 H new ATOM 0 HD11 LEU A 39 2.055 5.840 -6.427 1.00 22.40 H new ATOM 0 HD12 LEU A 39 3.110 7.274 -6.418 1.00 22.40 H new ATOM 0 HD13 LEU A 39 3.256 6.070 -7.720 1.00 22.40 H new ATOM 0 HD21 LEU A 39 2.881 3.632 -5.773 1.00 41.23 H new ATOM 0 HD22 LEU A 39 4.123 3.635 -7.047 1.00 41.23 H new ATOM 0 HD23 LEU A 39 4.591 3.377 -5.350 1.00 41.23 H new ATOM 623 N GLU A 40 8.716 6.687 -5.158 1.00 3.23 N ATOM 624 CA GLU A 40 10.052 7.251 -5.446 1.00 11.20 C ATOM 625 C GLU A 40 11.137 6.182 -5.239 1.00 51.01 C ATOM 626 O GLU A 40 12.170 6.206 -5.909 1.00 53.54 O ATOM 627 CB GLU A 40 10.326 8.493 -4.564 1.00 60.34 C ATOM 628 CG GLU A 40 9.323 9.631 -4.795 1.00 42.25 C ATOM 629 CD GLU A 40 9.540 10.804 -3.845 1.00 23.22 C ATOM 630 OE1 GLU A 40 10.191 11.798 -4.235 1.00 31.54 O ATOM 631 OE2 GLU A 40 9.074 10.732 -2.692 1.00 31.21 O ATOM 0 H GLU A 40 8.346 6.943 -4.243 1.00 3.23 H new ATOM 0 HA GLU A 40 10.076 7.569 -6.488 1.00 11.20 H new ATOM 0 HB2 GLU A 40 10.297 8.199 -3.515 1.00 60.34 H new ATOM 0 HB3 GLU A 40 11.333 8.858 -4.765 1.00 60.34 H new ATOM 0 HG2 GLU A 40 9.406 9.981 -5.824 1.00 42.25 H new ATOM 0 HG3 GLU A 40 8.310 9.249 -4.669 1.00 42.25 H new ATOM 638 N LYS A 41 10.874 5.235 -4.315 1.00 11.22 N ATOM 639 CA LYS A 41 11.789 4.116 -4.006 1.00 73.33 C ATOM 640 C LYS A 41 11.706 3.023 -5.089 1.00 45.45 C ATOM 641 O LYS A 41 10.718 2.954 -5.834 1.00 14.42 O ATOM 642 CB LYS A 41 11.436 3.523 -2.619 1.00 72.34 C ATOM 643 CG LYS A 41 11.629 4.503 -1.442 1.00 61.10 C ATOM 644 CD LYS A 41 13.130 4.858 -1.190 1.00 33.01 C ATOM 645 CE LYS A 41 13.389 5.638 0.126 1.00 64.43 C ATOM 646 NZ LYS A 41 12.742 4.998 1.298 1.00 72.51 N ATOM 0 H LYS A 41 10.018 5.225 -3.760 1.00 11.22 H new ATOM 0 HA LYS A 41 12.810 4.496 -3.987 1.00 73.33 H new ATOM 0 HB2 LYS A 41 10.398 3.190 -2.633 1.00 72.34 H new ATOM 0 HB3 LYS A 41 12.052 2.640 -2.447 1.00 72.34 H new ATOM 0 HG2 LYS A 41 11.072 5.419 -1.642 1.00 61.10 H new ATOM 0 HG3 LYS A 41 11.207 4.065 -0.537 1.00 61.10 H new ATOM 0 HD2 LYS A 41 13.711 3.936 -1.173 1.00 33.01 H new ATOM 0 HD3 LYS A 41 13.497 5.451 -2.028 1.00 33.01 H new ATOM 0 HE2 LYS A 41 14.463 5.707 0.299 1.00 64.43 H new ATOM 0 HE3 LYS A 41 13.017 6.657 0.021 1.00 64.43 H new ATOM 0 HZ1 LYS A 41 13.381 5.048 2.117 1.00 72.51 H new ATOM 0 HZ2 LYS A 41 11.855 5.495 1.519 1.00 72.51 H new ATOM 0 HZ3 LYS A 41 12.536 4.002 1.080 1.00 72.51 H new ATOM 660 N ASP A 42 12.762 2.188 -5.176 1.00 15.20 N ATOM 661 CA ASP A 42 12.814 1.055 -6.117 1.00 71.11 C ATOM 662 C ASP A 42 11.857 -0.049 -5.659 1.00 30.23 C ATOM 663 O ASP A 42 12.103 -0.722 -4.660 1.00 32.14 O ATOM 664 CB ASP A 42 14.258 0.502 -6.270 1.00 42.31 C ATOM 665 CG ASP A 42 15.208 1.510 -6.942 1.00 54.43 C ATOM 666 OD1 ASP A 42 15.983 2.190 -6.232 1.00 22.03 O ATOM 667 OD2 ASP A 42 15.153 1.658 -8.180 1.00 5.21 O ATOM 0 H ASP A 42 13.597 2.281 -4.598 1.00 15.20 H new ATOM 0 HA ASP A 42 12.500 1.415 -7.097 1.00 71.11 H new ATOM 0 HB2 ASP A 42 14.649 0.239 -5.287 1.00 42.31 H new ATOM 0 HB3 ASP A 42 14.232 -0.415 -6.858 1.00 42.31 H new ATOM 672 N ILE A 43 10.737 -0.182 -6.380 1.00 51.13 N ATOM 673 CA ILE A 43 9.690 -1.181 -6.105 1.00 10.13 C ATOM 674 C ILE A 43 9.458 -2.033 -7.369 1.00 75.14 C ATOM 675 O ILE A 43 9.508 -1.512 -8.493 1.00 70.41 O ATOM 676 CB ILE A 43 8.350 -0.481 -5.629 1.00 50.31 C ATOM 677 CG1 ILE A 43 7.837 0.559 -6.690 1.00 24.44 C ATOM 678 CG2 ILE A 43 8.543 0.179 -4.236 1.00 52.53 C ATOM 679 CD1 ILE A 43 6.617 1.371 -6.272 1.00 44.45 C ATOM 0 H ILE A 43 10.527 0.409 -7.184 1.00 51.13 H new ATOM 0 HA ILE A 43 10.017 -1.832 -5.294 1.00 10.13 H new ATOM 0 HB ILE A 43 7.583 -1.250 -5.535 1.00 50.31 H new ATOM 0 HG12 ILE A 43 8.649 1.248 -6.921 1.00 24.44 H new ATOM 0 HG13 ILE A 43 7.600 0.026 -7.611 1.00 24.44 H new ATOM 0 HG21 ILE A 43 7.612 0.654 -3.926 1.00 52.53 H new ATOM 0 HG22 ILE A 43 8.821 -0.583 -3.508 1.00 52.53 H new ATOM 0 HG23 ILE A 43 9.331 0.929 -4.295 1.00 52.53 H new ATOM 0 HD11 ILE A 43 6.345 2.058 -7.074 1.00 44.45 H new ATOM 0 HD12 ILE A 43 5.783 0.698 -6.072 1.00 44.45 H new ATOM 0 HD13 ILE A 43 6.849 1.939 -5.371 1.00 44.45 H new ATOM 691 N SER A 44 9.241 -3.347 -7.171 1.00 51.35 N ATOM 692 CA SER A 44 8.982 -4.317 -8.274 1.00 65.43 C ATOM 693 C SER A 44 7.628 -4.001 -8.969 1.00 31.30 C ATOM 694 O SER A 44 6.778 -3.345 -8.364 1.00 23.14 O ATOM 695 CB SER A 44 9.015 -5.767 -7.693 1.00 10.52 C ATOM 696 OG SER A 44 10.205 -5.978 -6.971 1.00 1.40 O ATOM 0 H SER A 44 9.238 -3.775 -6.245 1.00 51.35 H new ATOM 0 HA SER A 44 9.757 -4.232 -9.035 1.00 65.43 H new ATOM 0 HB2 SER A 44 8.155 -5.925 -7.043 1.00 10.52 H new ATOM 0 HB3 SER A 44 8.940 -6.492 -8.503 1.00 10.52 H new ATOM 0 HG SER A 44 10.212 -6.889 -6.611 1.00 1.40 H new ATOM 702 N GLN A 45 7.469 -4.411 -10.258 1.00 21.12 N ATOM 703 CA GLN A 45 6.221 -4.229 -11.056 1.00 72.45 C ATOM 704 C GLN A 45 4.911 -4.538 -10.264 1.00 23.04 C ATOM 705 O GLN A 45 3.929 -3.800 -10.380 1.00 11.33 O ATOM 706 CB GLN A 45 6.292 -5.102 -12.351 1.00 73.30 C ATOM 707 CG GLN A 45 5.096 -4.941 -13.329 1.00 62.53 C ATOM 708 CD GLN A 45 5.085 -5.924 -14.511 1.00 64.52 C ATOM 709 OE1 GLN A 45 5.522 -7.156 -14.284 1.00 24.22 O flip ATOM 710 NE2 GLN A 45 4.631 -5.594 -15.609 1.00 23.22 N flip ATOM 0 H GLN A 45 8.210 -4.882 -10.778 1.00 21.12 H new ATOM 0 HA GLN A 45 6.169 -3.171 -11.313 1.00 72.45 H new ATOM 0 HB2 GLN A 45 7.211 -4.857 -12.884 1.00 73.30 H new ATOM 0 HB3 GLN A 45 6.362 -6.150 -12.059 1.00 73.30 H new ATOM 0 HG2 GLN A 45 4.169 -5.061 -12.768 1.00 62.53 H new ATOM 0 HG3 GLN A 45 5.102 -3.924 -13.722 1.00 62.53 H new ATOM 0 HE21 GLN A 45 4.301 -4.640 -15.759 1.00 23.22 H new ATOM 0 HE22 GLN A 45 4.585 -6.275 -16.367 1.00 23.22 H new ATOM 719 N GLU A 46 4.933 -5.601 -9.424 1.00 51.31 N ATOM 720 CA GLU A 46 3.751 -6.078 -8.659 1.00 14.52 C ATOM 721 C GLU A 46 3.463 -5.166 -7.441 1.00 52.53 C ATOM 722 O GLU A 46 2.326 -5.058 -6.983 1.00 3.52 O ATOM 723 CB GLU A 46 3.957 -7.548 -8.179 1.00 33.43 C ATOM 724 CG GLU A 46 4.012 -8.628 -9.301 1.00 14.24 C ATOM 725 CD GLU A 46 5.167 -8.459 -10.306 1.00 72.53 C ATOM 726 OE1 GLU A 46 4.905 -8.235 -11.505 1.00 1.34 O ATOM 727 OE2 GLU A 46 6.342 -8.493 -9.884 1.00 31.22 O ATOM 0 H GLU A 46 5.773 -6.155 -9.256 1.00 51.31 H new ATOM 0 HA GLU A 46 2.893 -6.040 -9.330 1.00 14.52 H new ATOM 0 HB2 GLU A 46 4.884 -7.597 -7.608 1.00 33.43 H new ATOM 0 HB3 GLU A 46 3.148 -7.803 -7.495 1.00 33.43 H new ATOM 0 HG2 GLU A 46 4.095 -9.610 -8.836 1.00 14.24 H new ATOM 0 HG3 GLU A 46 3.069 -8.612 -9.847 1.00 14.24 H new ATOM 734 N GLU A 47 4.510 -4.492 -6.963 1.00 64.33 N ATOM 735 CA GLU A 47 4.468 -3.655 -5.744 1.00 24.50 C ATOM 736 C GLU A 47 3.912 -2.280 -6.177 1.00 12.32 C ATOM 737 O GLU A 47 3.004 -1.716 -5.545 1.00 3.02 O ATOM 738 CB GLU A 47 5.919 -3.577 -5.118 1.00 64.41 C ATOM 739 CG GLU A 47 6.032 -3.462 -3.565 1.00 3.23 C ATOM 740 CD GLU A 47 5.359 -2.229 -2.944 1.00 41.34 C ATOM 741 OE1 GLU A 47 4.588 -2.378 -1.967 1.00 35.35 O ATOM 742 OE2 GLU A 47 5.606 -1.109 -3.432 1.00 1.44 O ATOM 0 H GLU A 47 5.426 -4.507 -7.411 1.00 64.33 H new ATOM 0 HA GLU A 47 3.825 -4.065 -4.966 1.00 24.50 H new ATOM 0 HB2 GLU A 47 6.467 -4.466 -5.430 1.00 64.41 H new ATOM 0 HB3 GLU A 47 6.428 -2.719 -5.556 1.00 64.41 H new ATOM 0 HG2 GLU A 47 5.596 -4.356 -3.119 1.00 3.23 H new ATOM 0 HG3 GLU A 47 7.088 -3.453 -3.294 1.00 3.23 H new ATOM 749 N ARG A 48 4.422 -1.806 -7.340 1.00 2.53 N ATOM 750 CA ARG A 48 3.916 -0.612 -8.027 1.00 73.55 C ATOM 751 C ARG A 48 2.430 -0.793 -8.386 1.00 2.32 C ATOM 752 O ARG A 48 1.628 0.131 -8.226 1.00 72.24 O ATOM 753 CB ARG A 48 4.738 -0.318 -9.302 1.00 13.31 C ATOM 754 CG ARG A 48 4.406 1.044 -9.944 1.00 43.53 C ATOM 755 CD ARG A 48 5.150 1.311 -11.255 1.00 43.02 C ATOM 756 NE ARG A 48 4.808 2.636 -11.802 1.00 60.33 N ATOM 757 CZ ARG A 48 5.604 3.399 -12.561 1.00 32.41 C ATOM 758 NH1 ARG A 48 6.826 3.005 -12.895 1.00 61.30 N ATOM 759 NH2 ARG A 48 5.168 4.575 -12.967 1.00 53.14 N ATOM 0 H ARG A 48 5.202 -2.251 -7.824 1.00 2.53 H new ATOM 0 HA ARG A 48 4.017 0.237 -7.351 1.00 73.55 H new ATOM 0 HB2 ARG A 48 5.799 -0.346 -9.056 1.00 13.31 H new ATOM 0 HB3 ARG A 48 4.559 -1.108 -10.031 1.00 13.31 H new ATOM 0 HG2 ARG A 48 3.333 1.095 -10.130 1.00 43.53 H new ATOM 0 HG3 ARG A 48 4.644 1.837 -9.235 1.00 43.53 H new ATOM 0 HD2 ARG A 48 6.225 1.251 -11.085 1.00 43.02 H new ATOM 0 HD3 ARG A 48 4.899 0.539 -11.982 1.00 43.02 H new ATOM 0 HE ARG A 48 3.882 3.004 -11.583 1.00 60.33 H new ATOM 0 HH11 ARG A 48 7.177 2.103 -12.572 1.00 61.30 H new ATOM 0 HH12 ARG A 48 7.414 3.604 -13.474 1.00 61.30 H new ATOM 0 HH21 ARG A 48 4.235 4.892 -12.702 1.00 53.14 H new ATOM 0 HH22 ARG A 48 5.763 5.168 -13.546 1.00 53.14 H new ATOM 773 N ASN A 49 2.094 -2.019 -8.851 1.00 2.14 N ATOM 774 CA ASN A 49 0.731 -2.397 -9.265 1.00 35.43 C ATOM 775 C ASN A 49 -0.267 -2.232 -8.103 1.00 53.20 C ATOM 776 O ASN A 49 -1.268 -1.531 -8.245 1.00 41.20 O ATOM 777 CB ASN A 49 0.720 -3.857 -9.808 1.00 33.23 C ATOM 778 CG ASN A 49 -0.579 -4.267 -10.534 1.00 41.42 C ATOM 779 OD1 ASN A 49 -1.683 -3.872 -10.170 1.00 43.22 O ATOM 780 ND2 ASN A 49 -0.447 -5.060 -11.593 1.00 0.24 N ATOM 0 H ASN A 49 2.770 -2.777 -8.948 1.00 2.14 H new ATOM 0 HA ASN A 49 0.416 -1.728 -10.066 1.00 35.43 H new ATOM 0 HB2 ASN A 49 1.558 -3.981 -10.494 1.00 33.23 H new ATOM 0 HB3 ASN A 49 0.886 -4.541 -8.975 1.00 33.23 H new ATOM 0 HD21 ASN A 49 -1.272 -5.351 -12.118 1.00 0.24 H new ATOM 0 HD22 ASN A 49 0.479 -5.378 -11.880 1.00 0.24 H new ATOM 787 N ALA A 50 0.031 -2.852 -6.947 1.00 51.42 N ATOM 788 CA ALA A 50 -0.902 -2.874 -5.802 1.00 52.04 C ATOM 789 C ALA A 50 -1.029 -1.491 -5.120 1.00 4.43 C ATOM 790 O ALA A 50 -2.099 -1.177 -4.585 1.00 15.01 O ATOM 791 CB ALA A 50 -0.501 -3.957 -4.797 1.00 43.20 C ATOM 0 H ALA A 50 0.909 -3.344 -6.779 1.00 51.42 H new ATOM 0 HA ALA A 50 -1.889 -3.119 -6.194 1.00 52.04 H new ATOM 0 HB1 ALA A 50 -1.201 -3.956 -3.962 1.00 43.20 H new ATOM 0 HB2 ALA A 50 -0.520 -4.931 -5.285 1.00 43.20 H new ATOM 0 HB3 ALA A 50 0.505 -3.756 -4.427 1.00 43.20 H new ATOM 797 N LEU A 51 0.054 -0.665 -5.126 1.00 41.35 N ATOM 798 CA LEU A 51 -0.032 0.726 -4.607 1.00 71.11 C ATOM 799 C LEU A 51 -0.803 1.650 -5.590 1.00 1.13 C ATOM 800 O LEU A 51 -1.451 2.620 -5.158 1.00 35.21 O ATOM 801 CB LEU A 51 1.372 1.331 -4.272 1.00 52.22 C ATOM 802 CG LEU A 51 2.273 0.622 -3.186 1.00 70.42 C ATOM 803 CD1 LEU A 51 3.547 1.452 -2.892 1.00 71.15 C ATOM 804 CD2 LEU A 51 1.528 0.322 -1.855 1.00 51.32 C ATOM 0 H LEU A 51 0.975 -0.931 -5.476 1.00 41.35 H new ATOM 0 HA LEU A 51 -0.590 0.670 -3.673 1.00 71.11 H new ATOM 0 HB2 LEU A 51 1.943 1.369 -5.199 1.00 52.22 H new ATOM 0 HB3 LEU A 51 1.218 2.361 -3.950 1.00 52.22 H new ATOM 0 HG LEU A 51 2.549 -0.339 -3.621 1.00 70.42 H new ATOM 0 HD11 LEU A 51 4.149 0.941 -2.141 1.00 71.15 H new ATOM 0 HD12 LEU A 51 4.128 1.564 -3.808 1.00 71.15 H new ATOM 0 HD13 LEU A 51 3.262 2.436 -2.520 1.00 71.15 H new ATOM 0 HD21 LEU A 51 2.210 -0.165 -1.158 1.00 51.32 H new ATOM 0 HD22 LEU A 51 1.170 1.255 -1.420 1.00 51.32 H new ATOM 0 HD23 LEU A 51 0.681 -0.335 -2.052 1.00 51.32 H new ATOM 816 N ASN A 52 -0.737 1.342 -6.906 1.00 43.33 N ATOM 817 CA ASN A 52 -1.560 2.026 -7.933 1.00 13.30 C ATOM 818 C ASN A 52 -3.050 1.697 -7.734 1.00 24.51 C ATOM 819 O ASN A 52 -3.907 2.595 -7.807 1.00 75.00 O ATOM 820 CB ASN A 52 -1.114 1.658 -9.382 1.00 4.32 C ATOM 821 CG ASN A 52 0.097 2.442 -9.891 1.00 23.42 C ATOM 822 OD1 ASN A 52 0.953 2.881 -9.118 1.00 20.53 O ATOM 823 ND2 ASN A 52 0.172 2.613 -11.207 1.00 72.04 N ATOM 0 H ASN A 52 -0.121 0.622 -7.283 1.00 43.33 H new ATOM 0 HA ASN A 52 -1.410 3.098 -7.807 1.00 13.30 H new ATOM 0 HB2 ASN A 52 -0.883 0.593 -9.418 1.00 4.32 H new ATOM 0 HB3 ASN A 52 -1.951 1.826 -10.060 1.00 4.32 H new ATOM 0 HD21 ASN A 52 0.958 3.123 -11.611 1.00 72.04 H new ATOM 0 HD22 ASN A 52 -0.556 2.235 -11.813 1.00 72.04 H new ATOM 830 N ILE A 53 -3.330 0.401 -7.452 1.00 44.34 N ATOM 831 CA ILE A 53 -4.691 -0.100 -7.160 1.00 42.12 C ATOM 832 C ILE A 53 -5.233 0.602 -5.901 1.00 0.43 C ATOM 833 O ILE A 53 -6.402 1.010 -5.862 1.00 35.13 O ATOM 834 CB ILE A 53 -4.721 -1.679 -6.977 1.00 51.42 C ATOM 835 CG1 ILE A 53 -4.442 -2.400 -8.344 1.00 14.14 C ATOM 836 CG2 ILE A 53 -6.054 -2.177 -6.338 1.00 34.14 C ATOM 837 CD1 ILE A 53 -4.409 -3.918 -8.284 1.00 11.20 C ATOM 0 H ILE A 53 -2.615 -0.326 -7.421 1.00 44.34 H new ATOM 0 HA ILE A 53 -5.328 0.131 -8.014 1.00 42.12 H new ATOM 0 HB ILE A 53 -3.924 -1.939 -6.280 1.00 51.42 H new ATOM 0 HG12 ILE A 53 -5.208 -2.098 -9.058 1.00 14.14 H new ATOM 0 HG13 ILE A 53 -3.487 -2.048 -8.733 1.00 14.14 H new ATOM 0 HG21 ILE A 53 -6.025 -3.262 -6.234 1.00 34.14 H new ATOM 0 HG22 ILE A 53 -6.179 -1.722 -5.356 1.00 34.14 H new ATOM 0 HG23 ILE A 53 -6.891 -1.896 -6.977 1.00 34.14 H new ATOM 0 HD11 ILE A 53 -4.210 -4.317 -9.279 1.00 11.20 H new ATOM 0 HD12 ILE A 53 -3.623 -4.238 -7.600 1.00 11.20 H new ATOM 0 HD13 ILE A 53 -5.371 -4.289 -7.930 1.00 11.20 H new ATOM 849 N ALA A 54 -4.338 0.766 -4.900 1.00 42.02 N ATOM 850 CA ALA A 54 -4.640 1.446 -3.629 1.00 1.12 C ATOM 851 C ALA A 54 -5.146 2.878 -3.879 1.00 63.10 C ATOM 852 O ALA A 54 -6.291 3.182 -3.545 1.00 54.01 O ATOM 853 CB ALA A 54 -3.401 1.454 -2.711 1.00 53.21 C ATOM 0 H ALA A 54 -3.378 0.425 -4.957 1.00 42.02 H new ATOM 0 HA ALA A 54 -5.434 0.893 -3.127 1.00 1.12 H new ATOM 0 HB1 ALA A 54 -3.644 1.961 -1.777 1.00 53.21 H new ATOM 0 HB2 ALA A 54 -3.098 0.428 -2.500 1.00 53.21 H new ATOM 0 HB3 ALA A 54 -2.584 1.979 -3.207 1.00 53.21 H new ATOM 859 N GLU A 55 -4.306 3.702 -4.557 1.00 11.21 N ATOM 860 CA GLU A 55 -4.562 5.150 -4.756 1.00 14.04 C ATOM 861 C GLU A 55 -5.847 5.376 -5.573 1.00 34.53 C ATOM 862 O GLU A 55 -6.704 6.194 -5.186 1.00 74.12 O ATOM 863 CB GLU A 55 -3.319 5.833 -5.428 1.00 71.24 C ATOM 864 CG GLU A 55 -3.447 7.355 -5.760 1.00 70.12 C ATOM 865 CD GLU A 55 -4.198 7.670 -7.071 1.00 61.43 C ATOM 866 OE1 GLU A 55 -3.698 7.312 -8.155 1.00 1.34 O ATOM 867 OE2 GLU A 55 -5.283 8.282 -7.020 1.00 2.53 O ATOM 0 H GLU A 55 -3.435 3.381 -4.980 1.00 11.21 H new ATOM 0 HA GLU A 55 -4.715 5.615 -3.782 1.00 14.04 H new ATOM 0 HB2 GLU A 55 -2.461 5.700 -4.770 1.00 71.24 H new ATOM 0 HB3 GLU A 55 -3.097 5.301 -6.353 1.00 71.24 H new ATOM 0 HG2 GLU A 55 -3.960 7.850 -4.936 1.00 70.12 H new ATOM 0 HG3 GLU A 55 -2.447 7.785 -5.818 1.00 70.12 H new ATOM 874 N LYS A 56 -5.979 4.630 -6.685 1.00 5.12 N ATOM 875 CA LYS A 56 -7.097 4.809 -7.633 1.00 2.33 C ATOM 876 C LYS A 56 -8.436 4.468 -6.956 1.00 73.50 C ATOM 877 O LYS A 56 -9.475 5.060 -7.269 1.00 11.21 O ATOM 878 CB LYS A 56 -6.885 3.957 -8.912 1.00 52.21 C ATOM 879 CG LYS A 56 -5.755 4.461 -9.836 1.00 10.30 C ATOM 880 CD LYS A 56 -5.436 3.471 -10.980 1.00 34.43 C ATOM 881 CE LYS A 56 -4.348 3.999 -11.927 1.00 21.32 C ATOM 882 NZ LYS A 56 -4.777 5.223 -12.648 1.00 34.43 N ATOM 0 H LYS A 56 -5.324 3.895 -6.951 1.00 5.12 H new ATOM 0 HA LYS A 56 -7.125 5.856 -7.935 1.00 2.33 H new ATOM 0 HB2 LYS A 56 -6.666 2.931 -8.618 1.00 52.21 H new ATOM 0 HB3 LYS A 56 -7.817 3.935 -9.477 1.00 52.21 H new ATOM 0 HG2 LYS A 56 -6.041 5.423 -10.262 1.00 10.30 H new ATOM 0 HG3 LYS A 56 -4.855 4.629 -9.245 1.00 10.30 H new ATOM 0 HD2 LYS A 56 -5.113 2.521 -10.555 1.00 34.43 H new ATOM 0 HD3 LYS A 56 -6.344 3.273 -11.549 1.00 34.43 H new ATOM 0 HE2 LYS A 56 -3.445 4.214 -11.356 1.00 21.32 H new ATOM 0 HE3 LYS A 56 -4.091 3.225 -12.650 1.00 21.32 H new ATOM 0 HZ1 LYS A 56 -4.070 5.466 -13.371 1.00 34.43 H new ATOM 0 HZ2 LYS A 56 -5.696 5.053 -13.105 1.00 34.43 H new ATOM 0 HZ3 LYS A 56 -4.866 6.010 -11.974 1.00 34.43 H new ATOM 896 N ALA A 57 -8.370 3.520 -6.006 1.00 32.53 N ATOM 897 CA ALA A 57 -9.517 3.091 -5.213 1.00 64.24 C ATOM 898 C ALA A 57 -9.847 4.120 -4.102 1.00 12.11 C ATOM 899 O ALA A 57 -11.020 4.292 -3.771 1.00 33.13 O ATOM 900 CB ALA A 57 -9.248 1.706 -4.620 1.00 40.34 C ATOM 0 H ALA A 57 -7.507 3.030 -5.771 1.00 32.53 H new ATOM 0 HA ALA A 57 -10.388 3.029 -5.865 1.00 64.24 H new ATOM 0 HB1 ALA A 57 -10.107 1.390 -4.029 1.00 40.34 H new ATOM 0 HB2 ALA A 57 -9.080 0.992 -5.426 1.00 40.34 H new ATOM 0 HB3 ALA A 57 -8.365 1.748 -3.982 1.00 40.34 H new ATOM 906 N LEU A 58 -8.809 4.792 -3.525 1.00 41.23 N ATOM 907 CA LEU A 58 -9.014 5.873 -2.507 1.00 22.40 C ATOM 908 C LEU A 58 -9.822 7.034 -3.141 1.00 43.11 C ATOM 909 O LEU A 58 -10.716 7.604 -2.501 1.00 64.43 O ATOM 910 CB LEU A 58 -7.662 6.454 -1.924 1.00 13.03 C ATOM 911 CG LEU A 58 -6.504 5.456 -1.399 1.00 54.01 C ATOM 912 CD1 LEU A 58 -5.253 6.180 -0.807 1.00 43.10 C ATOM 913 CD2 LEU A 58 -6.974 4.344 -0.397 1.00 12.23 C ATOM 0 H LEU A 58 -7.830 4.609 -3.743 1.00 41.23 H new ATOM 0 HA LEU A 58 -9.555 5.418 -1.677 1.00 22.40 H new ATOM 0 HB2 LEU A 58 -7.220 7.082 -2.698 1.00 13.03 H new ATOM 0 HB3 LEU A 58 -7.924 7.109 -1.093 1.00 13.03 H new ATOM 0 HG LEU A 58 -6.216 4.958 -2.325 1.00 54.01 H new ATOM 0 HD11 LEU A 58 -4.525 5.438 -0.478 1.00 43.10 H new ATOM 0 HD12 LEU A 58 -4.805 6.815 -1.571 1.00 43.10 H new ATOM 0 HD13 LEU A 58 -5.555 6.793 0.042 1.00 43.10 H new ATOM 0 HD21 LEU A 58 -6.121 3.731 -0.108 1.00 12.23 H new ATOM 0 HD22 LEU A 58 -7.402 4.811 0.490 1.00 12.23 H new ATOM 0 HD23 LEU A 58 -7.726 3.717 -0.876 1.00 12.23 H new ATOM 925 N ASP A 59 -9.484 7.357 -4.412 1.00 34.32 N ATOM 926 CA ASP A 59 -10.175 8.399 -5.207 1.00 51.30 C ATOM 927 C ASP A 59 -11.618 7.978 -5.536 1.00 51.04 C ATOM 928 O ASP A 59 -12.545 8.790 -5.450 1.00 2.13 O ATOM 929 CB ASP A 59 -9.400 8.699 -6.520 1.00 1.50 C ATOM 930 CG ASP A 59 -10.074 9.799 -7.366 1.00 14.34 C ATOM 931 OD1 ASP A 59 -10.646 9.493 -8.436 1.00 31.52 O ATOM 932 OD2 ASP A 59 -10.047 10.976 -6.947 1.00 74.44 O ATOM 0 H ASP A 59 -8.723 6.901 -4.915 1.00 34.32 H new ATOM 0 HA ASP A 59 -10.207 9.306 -4.603 1.00 51.30 H new ATOM 0 HB2 ASP A 59 -8.383 9.005 -6.276 1.00 1.50 H new ATOM 0 HB3 ASP A 59 -9.325 7.786 -7.110 1.00 1.50 H new ATOM 937 N ASN A 60 -11.793 6.701 -5.914 1.00 4.42 N ATOM 938 CA ASN A 60 -13.123 6.114 -6.207 1.00 61.21 C ATOM 939 C ASN A 60 -13.889 5.756 -4.913 1.00 43.45 C ATOM 940 O ASN A 60 -15.046 5.323 -4.988 1.00 22.40 O ATOM 941 CB ASN A 60 -12.982 4.864 -7.124 1.00 33.21 C ATOM 942 CG ASN A 60 -12.626 5.198 -8.571 1.00 30.41 C ATOM 943 OD1 ASN A 60 -12.029 6.235 -8.865 1.00 53.44 O ATOM 944 ND2 ASN A 60 -12.973 4.304 -9.489 1.00 43.34 N ATOM 0 H ASN A 60 -11.022 6.043 -6.027 1.00 4.42 H new ATOM 0 HA ASN A 60 -13.705 6.870 -6.734 1.00 61.21 H new ATOM 0 HB2 ASN A 60 -12.215 4.208 -6.713 1.00 33.21 H new ATOM 0 HB3 ASN A 60 -13.919 4.307 -7.109 1.00 33.21 H new ATOM 0 HD21 ASN A 60 -12.746 4.466 -10.470 1.00 43.34 H new ATOM 0 HD22 ASN A 60 -13.467 3.455 -9.213 1.00 43.34 H new ATOM 951 N SER A 61 -13.223 5.909 -3.741 1.00 0.22 N ATOM 952 CA SER A 61 -13.858 5.785 -2.409 1.00 41.05 C ATOM 953 C SER A 61 -14.405 4.354 -2.182 1.00 54.43 C ATOM 954 O SER A 61 -15.438 4.156 -1.529 1.00 71.21 O ATOM 955 CB SER A 61 -14.960 6.876 -2.238 1.00 70.02 C ATOM 956 OG SER A 61 -15.488 6.903 -0.921 1.00 52.14 O ATOM 0 H SER A 61 -12.227 6.123 -3.696 1.00 0.22 H new ATOM 0 HA SER A 61 -13.104 5.953 -1.640 1.00 41.05 H new ATOM 0 HB2 SER A 61 -14.542 7.853 -2.480 1.00 70.02 H new ATOM 0 HB3 SER A 61 -15.766 6.690 -2.947 1.00 70.02 H new ATOM 0 HG SER A 61 -15.674 5.988 -0.624 1.00 52.14 H new ATOM 962 N GLU A 62 -13.638 3.355 -2.660 1.00 63.20 N ATOM 963 CA GLU A 62 -13.993 1.919 -2.578 1.00 24.02 C ATOM 964 C GLU A 62 -13.642 1.303 -1.190 1.00 64.32 C ATOM 965 O GLU A 62 -13.195 0.156 -1.097 1.00 22.52 O ATOM 966 CB GLU A 62 -13.305 1.158 -3.745 1.00 3.34 C ATOM 967 CG GLU A 62 -13.754 1.607 -5.158 1.00 31.41 C ATOM 968 CD GLU A 62 -15.238 1.338 -5.460 1.00 20.12 C ATOM 969 OE1 GLU A 62 -16.044 2.293 -5.504 1.00 23.30 O ATOM 970 OE2 GLU A 62 -15.601 0.159 -5.669 1.00 33.32 O ATOM 0 H GLU A 62 -12.743 3.521 -3.120 1.00 63.20 H new ATOM 0 HA GLU A 62 -15.074 1.819 -2.678 1.00 24.02 H new ATOM 0 HB2 GLU A 62 -12.226 1.289 -3.662 1.00 3.34 H new ATOM 0 HB3 GLU A 62 -13.506 0.092 -3.635 1.00 3.34 H new ATOM 0 HG2 GLU A 62 -13.560 2.674 -5.267 1.00 31.41 H new ATOM 0 HG3 GLU A 62 -13.144 1.094 -5.902 1.00 31.41 H new ATOM 977 N TYR A 63 -13.859 2.115 -0.141 1.00 13.03 N ATOM 978 CA TYR A 63 -13.938 1.721 1.286 1.00 4.44 C ATOM 979 C TYR A 63 -12.553 1.532 1.922 1.00 1.01 C ATOM 980 O TYR A 63 -11.666 0.903 1.353 1.00 30.53 O ATOM 981 CB TYR A 63 -14.841 0.473 1.530 1.00 4.24 C ATOM 982 CG TYR A 63 -16.325 0.690 1.218 1.00 3.41 C ATOM 983 CD1 TYR A 63 -17.217 1.089 2.205 1.00 11.42 C ATOM 984 CD2 TYR A 63 -16.833 0.501 -0.070 1.00 4.45 C ATOM 985 CE1 TYR A 63 -18.554 1.290 1.928 1.00 43.42 C ATOM 986 CE2 TYR A 63 -18.167 0.700 -0.350 1.00 11.33 C ATOM 987 CZ TYR A 63 -19.019 1.095 0.649 1.00 20.32 C ATOM 988 OH TYR A 63 -20.348 1.300 0.370 1.00 1.52 O ATOM 0 H TYR A 63 -13.992 3.118 -0.267 1.00 13.03 H new ATOM 0 HA TYR A 63 -14.419 2.561 1.787 1.00 4.44 H new ATOM 0 HB2 TYR A 63 -14.472 -0.351 0.920 1.00 4.24 H new ATOM 0 HB3 TYR A 63 -14.743 0.168 2.572 1.00 4.24 H new ATOM 0 HD1 TYR A 63 -16.857 1.245 3.211 1.00 11.42 H new ATOM 0 HD2 TYR A 63 -16.166 0.193 -0.862 1.00 4.45 H new ATOM 0 HE1 TYR A 63 -19.231 1.599 2.711 1.00 43.42 H new ATOM 0 HE2 TYR A 63 -18.540 0.546 -1.352 1.00 11.33 H new ATOM 0 HH TYR A 63 -20.515 1.121 -0.579 1.00 1.52 H new ATOM 998 N LEU A 64 -12.446 1.966 3.185 1.00 13.15 N ATOM 999 CA LEU A 64 -11.141 2.070 3.906 1.00 31.31 C ATOM 1000 C LEU A 64 -10.676 0.656 4.356 1.00 1.12 C ATOM 1001 O LEU A 64 -9.543 0.277 4.042 1.00 32.51 O ATOM 1002 CB LEU A 64 -11.120 3.114 5.124 1.00 41.13 C ATOM 1003 CG LEU A 64 -10.552 4.589 4.930 1.00 3.30 C ATOM 1004 CD1 LEU A 64 -9.047 4.597 4.547 1.00 74.41 C ATOM 1005 CD2 LEU A 64 -11.383 5.513 3.990 1.00 21.40 C ATOM 0 H LEU A 64 -13.248 2.257 3.745 1.00 13.15 H new ATOM 0 HA LEU A 64 -10.432 2.485 3.190 1.00 31.31 H new ATOM 0 HB2 LEU A 64 -12.146 3.211 5.479 1.00 41.13 H new ATOM 0 HB3 LEU A 64 -10.546 2.654 5.929 1.00 41.13 H new ATOM 0 HG LEU A 64 -10.659 5.035 5.919 1.00 3.30 H new ATOM 0 HD11 LEU A 64 -8.708 5.626 4.426 1.00 74.41 H new ATOM 0 HD12 LEU A 64 -8.469 4.114 5.335 1.00 74.41 H new ATOM 0 HD13 LEU A 64 -8.907 4.056 3.611 1.00 74.41 H new ATOM 0 HD21 LEU A 64 -10.908 6.492 3.929 1.00 21.40 H new ATOM 0 HD22 LEU A 64 -11.432 5.071 2.995 1.00 21.40 H new ATOM 0 HD23 LEU A 64 -12.392 5.624 4.388 1.00 21.40 H new ATOM 1017 N PRO A 65 -11.545 -0.186 5.053 1.00 42.11 N ATOM 1018 CA PRO A 65 -11.132 -1.543 5.479 1.00 41.43 C ATOM 1019 C PRO A 65 -11.066 -2.519 4.282 1.00 3.13 C ATOM 1020 O PRO A 65 -10.433 -3.573 4.374 1.00 62.43 O ATOM 1021 CB PRO A 65 -12.239 -1.942 6.487 1.00 10.14 C ATOM 1022 CG PRO A 65 -13.467 -1.245 5.986 1.00 23.42 C ATOM 1023 CD PRO A 65 -12.975 0.080 5.444 1.00 41.22 C ATOM 0 HA PRO A 65 -10.132 -1.572 5.912 1.00 41.43 H new ATOM 0 HB2 PRO A 65 -12.379 -3.023 6.516 1.00 10.14 H new ATOM 0 HB3 PRO A 65 -11.988 -1.626 7.499 1.00 10.14 H new ATOM 0 HG2 PRO A 65 -13.963 -1.829 5.210 1.00 23.42 H new ATOM 0 HG3 PRO A 65 -14.192 -1.099 6.787 1.00 23.42 H new ATOM 0 HD2 PRO A 65 -13.568 0.405 4.589 1.00 41.22 H new ATOM 0 HD3 PRO A 65 -13.042 0.867 6.195 1.00 41.22 H new ATOM 1031 N LYS A 66 -11.696 -2.114 3.151 1.00 35.32 N ATOM 1032 CA LYS A 66 -11.729 -2.910 1.917 1.00 71.14 C ATOM 1033 C LYS A 66 -10.368 -2.813 1.220 1.00 2.12 C ATOM 1034 O LYS A 66 -9.826 -3.822 0.771 1.00 34.24 O ATOM 1035 CB LYS A 66 -12.915 -2.446 1.006 1.00 64.14 C ATOM 1036 CG LYS A 66 -13.214 -3.305 -0.255 1.00 70.51 C ATOM 1037 CD LYS A 66 -12.297 -3.009 -1.475 1.00 51.45 C ATOM 1038 CE LYS A 66 -12.719 -3.785 -2.727 1.00 42.51 C ATOM 1039 NZ LYS A 66 -12.732 -5.254 -2.497 1.00 52.42 N ATOM 0 H LYS A 66 -12.192 -1.226 3.078 1.00 35.32 H new ATOM 0 HA LYS A 66 -11.908 -3.961 2.146 1.00 71.14 H new ATOM 0 HB2 LYS A 66 -13.818 -2.414 1.616 1.00 64.14 H new ATOM 0 HB3 LYS A 66 -12.713 -1.425 0.681 1.00 64.14 H new ATOM 0 HG2 LYS A 66 -13.117 -4.358 0.008 1.00 70.51 H new ATOM 0 HG3 LYS A 66 -14.251 -3.144 -0.550 1.00 70.51 H new ATOM 0 HD2 LYS A 66 -12.317 -1.941 -1.690 1.00 51.45 H new ATOM 0 HD3 LYS A 66 -11.268 -3.264 -1.223 1.00 51.45 H new ATOM 0 HE2 LYS A 66 -13.711 -3.458 -3.038 1.00 42.51 H new ATOM 0 HE3 LYS A 66 -12.036 -3.553 -3.544 1.00 42.51 H new ATOM 0 HZ1 LYS A 66 -12.940 -5.743 -3.391 1.00 52.42 H new ATOM 0 HZ2 LYS A 66 -11.802 -5.558 -2.144 1.00 52.42 H new ATOM 0 HZ3 LYS A 66 -13.463 -5.489 -1.795 1.00 52.42 H new ATOM 1053 N ILE A 67 -9.816 -1.589 1.152 1.00 60.41 N ATOM 1054 CA ILE A 67 -8.526 -1.336 0.488 1.00 53.01 C ATOM 1055 C ILE A 67 -7.362 -1.745 1.395 1.00 21.24 C ATOM 1056 O ILE A 67 -6.317 -2.166 0.902 1.00 22.21 O ATOM 1057 CB ILE A 67 -8.413 0.163 0.052 1.00 35.11 C ATOM 1058 CG1 ILE A 67 -9.630 0.508 -0.853 1.00 13.15 C ATOM 1059 CG2 ILE A 67 -7.070 0.470 -0.672 1.00 42.14 C ATOM 1060 CD1 ILE A 67 -9.745 1.965 -1.229 1.00 32.34 C ATOM 0 H ILE A 67 -10.247 -0.755 1.552 1.00 60.41 H new ATOM 0 HA ILE A 67 -8.475 -1.947 -0.413 1.00 53.01 H new ATOM 0 HB ILE A 67 -8.423 0.789 0.945 1.00 35.11 H new ATOM 0 HG12 ILE A 67 -9.566 -0.084 -1.766 1.00 13.15 H new ATOM 0 HG13 ILE A 67 -10.543 0.206 -0.340 1.00 13.15 H new ATOM 0 HG21 ILE A 67 -7.041 1.522 -0.954 1.00 42.14 H new ATOM 0 HG22 ILE A 67 -6.238 0.250 -0.003 1.00 42.14 H new ATOM 0 HG23 ILE A 67 -6.989 -0.148 -1.567 1.00 42.14 H new ATOM 0 HD11 ILE A 67 -10.622 2.110 -1.860 1.00 32.34 H new ATOM 0 HD12 ILE A 67 -9.844 2.567 -0.326 1.00 32.34 H new ATOM 0 HD13 ILE A 67 -8.852 2.272 -1.773 1.00 32.34 H new ATOM 1072 N ILE A 68 -7.567 -1.646 2.723 1.00 54.54 N ATOM 1073 CA ILE A 68 -6.616 -2.174 3.713 1.00 44.51 C ATOM 1074 C ILE A 68 -6.525 -3.706 3.573 1.00 43.01 C ATOM 1075 O ILE A 68 -5.422 -4.262 3.574 1.00 21.42 O ATOM 1076 CB ILE A 68 -7.004 -1.749 5.185 1.00 70.10 C ATOM 1077 CG1 ILE A 68 -6.674 -0.231 5.423 1.00 43.41 C ATOM 1078 CG2 ILE A 68 -6.334 -2.648 6.263 1.00 54.52 C ATOM 1079 CD1 ILE A 68 -7.187 0.323 6.735 1.00 4.52 C ATOM 0 H ILE A 68 -8.388 -1.202 3.134 1.00 54.54 H new ATOM 0 HA ILE A 68 -5.635 -1.743 3.516 1.00 44.51 H new ATOM 0 HB ILE A 68 -8.079 -1.893 5.290 1.00 70.10 H new ATOM 0 HG12 ILE A 68 -5.593 -0.096 5.384 1.00 43.41 H new ATOM 0 HG13 ILE A 68 -7.098 0.353 4.606 1.00 43.41 H new ATOM 0 HG21 ILE A 68 -6.635 -2.312 7.255 1.00 54.52 H new ATOM 0 HG22 ILE A 68 -6.647 -3.682 6.120 1.00 54.52 H new ATOM 0 HG23 ILE A 68 -5.250 -2.581 6.170 1.00 54.52 H new ATOM 0 HD11 ILE A 68 -6.915 1.375 6.817 1.00 4.52 H new ATOM 0 HD12 ILE A 68 -8.272 0.225 6.772 1.00 4.52 H new ATOM 0 HD13 ILE A 68 -6.744 -0.231 7.562 1.00 4.52 H new ATOM 1091 N LEU A 69 -7.699 -4.360 3.403 1.00 11.02 N ATOM 1092 CA LEU A 69 -7.778 -5.813 3.176 1.00 2.30 C ATOM 1093 C LEU A 69 -7.063 -6.186 1.872 1.00 22.23 C ATOM 1094 O LEU A 69 -6.198 -7.049 1.868 1.00 54.30 O ATOM 1095 CB LEU A 69 -9.255 -6.289 3.113 1.00 22.33 C ATOM 1096 CG LEU A 69 -9.465 -7.858 2.899 1.00 74.13 C ATOM 1097 CD1 LEU A 69 -8.761 -8.709 3.987 1.00 11.55 C ATOM 1098 CD2 LEU A 69 -10.958 -8.291 2.764 1.00 44.34 C ATOM 0 H LEU A 69 -8.607 -3.895 3.420 1.00 11.02 H new ATOM 0 HA LEU A 69 -7.288 -6.310 4.014 1.00 2.30 H new ATOM 0 HB2 LEU A 69 -9.752 -5.997 4.038 1.00 22.33 H new ATOM 0 HB3 LEU A 69 -9.754 -5.760 2.302 1.00 22.33 H new ATOM 0 HG LEU A 69 -8.989 -8.058 1.939 1.00 74.13 H new ATOM 0 HD11 LEU A 69 -8.937 -9.767 3.792 1.00 11.55 H new ATOM 0 HD12 LEU A 69 -7.690 -8.510 3.968 1.00 11.55 H new ATOM 0 HD13 LEU A 69 -9.161 -8.449 4.967 1.00 11.55 H new ATOM 0 HD21 LEU A 69 -11.012 -9.370 2.622 1.00 44.34 H new ATOM 0 HD22 LEU A 69 -11.500 -8.017 3.669 1.00 44.34 H new ATOM 0 HD23 LEU A 69 -11.406 -7.789 1.907 1.00 44.34 H new ATOM 1110 N ASN A 70 -7.420 -5.472 0.791 1.00 34.32 N ATOM 1111 CA ASN A 70 -6.943 -5.747 -0.573 1.00 1.13 C ATOM 1112 C ASN A 70 -5.413 -5.558 -0.682 1.00 43.25 C ATOM 1113 O ASN A 70 -4.717 -6.392 -1.274 1.00 63.33 O ATOM 1114 CB ASN A 70 -7.725 -4.855 -1.590 1.00 11.32 C ATOM 1115 CG ASN A 70 -7.186 -4.950 -3.015 1.00 15.50 C ATOM 1116 OD1 ASN A 70 -7.562 -5.840 -3.773 1.00 42.44 O ATOM 1117 ND2 ASN A 70 -6.304 -4.033 -3.392 1.00 24.35 N ATOM 0 H ASN A 70 -8.057 -4.677 0.842 1.00 34.32 H new ATOM 0 HA ASN A 70 -7.139 -6.791 -0.817 1.00 1.13 H new ATOM 0 HB2 ASN A 70 -8.775 -5.147 -1.586 1.00 11.32 H new ATOM 0 HB3 ASN A 70 -7.681 -3.817 -1.261 1.00 11.32 H new ATOM 0 HD21 ASN A 70 -5.918 -4.054 -4.336 1.00 24.35 H new ATOM 0 HD22 ASN A 70 -6.012 -3.307 -2.738 1.00 24.35 H new ATOM 1124 N LEU A 71 -4.896 -4.502 -0.036 1.00 71.43 N ATOM 1125 CA LEU A 71 -3.461 -4.164 -0.062 1.00 64.34 C ATOM 1126 C LEU A 71 -2.699 -5.172 0.819 1.00 31.21 C ATOM 1127 O LEU A 71 -1.581 -5.573 0.487 1.00 1.01 O ATOM 1128 CB LEU A 71 -3.279 -2.671 0.394 1.00 63.54 C ATOM 1129 CG LEU A 71 -1.848 -1.984 0.441 1.00 62.13 C ATOM 1130 CD1 LEU A 71 -1.070 -2.309 1.738 1.00 64.04 C ATOM 1131 CD2 LEU A 71 -0.987 -2.272 -0.821 1.00 72.21 C ATOM 0 H LEU A 71 -5.459 -3.857 0.519 1.00 71.43 H new ATOM 0 HA LEU A 71 -3.046 -4.240 -1.067 1.00 64.34 H new ATOM 0 HB2 LEU A 71 -3.901 -2.062 -0.262 1.00 63.54 H new ATOM 0 HB3 LEU A 71 -3.701 -2.593 1.396 1.00 63.54 H new ATOM 0 HG LEU A 71 -2.049 -0.913 0.445 1.00 62.13 H new ATOM 0 HD11 LEU A 71 -0.100 -1.813 1.714 1.00 64.04 H new ATOM 0 HD12 LEU A 71 -1.637 -1.957 2.600 1.00 64.04 H new ATOM 0 HD13 LEU A 71 -0.925 -3.387 1.815 1.00 64.04 H new ATOM 0 HD21 LEU A 71 -0.022 -1.774 -0.725 1.00 72.21 H new ATOM 0 HD22 LEU A 71 -0.832 -3.347 -0.918 1.00 72.21 H new ATOM 0 HD23 LEU A 71 -1.502 -1.898 -1.706 1.00 72.21 H new ATOM 1143 N ARG A 72 -3.352 -5.620 1.914 1.00 23.14 N ATOM 1144 CA ARG A 72 -2.789 -6.641 2.816 1.00 4.14 C ATOM 1145 C ARG A 72 -2.810 -8.029 2.125 1.00 41.00 C ATOM 1146 O ARG A 72 -1.926 -8.839 2.364 1.00 30.34 O ATOM 1147 CB ARG A 72 -3.521 -6.662 4.206 1.00 74.24 C ATOM 1148 CG ARG A 72 -2.859 -7.558 5.266 1.00 55.41 C ATOM 1149 CD ARG A 72 -3.549 -7.456 6.634 1.00 41.31 C ATOM 1150 NE ARG A 72 -2.899 -8.308 7.650 1.00 63.10 N ATOM 1151 CZ ARG A 72 -3.295 -8.430 8.927 1.00 35.33 C ATOM 1152 NH1 ARG A 72 -4.356 -7.768 9.384 1.00 42.14 N ATOM 1153 NH2 ARG A 72 -2.621 -9.223 9.746 1.00 1.34 N ATOM 0 H ARG A 72 -4.275 -5.286 2.193 1.00 23.14 H new ATOM 0 HA ARG A 72 -1.751 -6.381 3.024 1.00 4.14 H new ATOM 0 HB2 ARG A 72 -3.571 -5.643 4.591 1.00 74.24 H new ATOM 0 HB3 ARG A 72 -4.547 -6.997 4.056 1.00 74.24 H new ATOM 0 HG2 ARG A 72 -2.882 -8.594 4.927 1.00 55.41 H new ATOM 0 HG3 ARG A 72 -1.810 -7.279 5.370 1.00 55.41 H new ATOM 0 HD2 ARG A 72 -3.536 -6.419 6.969 1.00 41.31 H new ATOM 0 HD3 ARG A 72 -4.595 -7.746 6.534 1.00 41.31 H new ATOM 0 HE ARG A 72 -2.084 -8.847 7.358 1.00 63.10 H new ATOM 0 HH11 ARG A 72 -4.883 -7.156 8.761 1.00 42.14 H new ATOM 0 HH12 ARG A 72 -4.642 -7.873 10.357 1.00 42.14 H new ATOM 0 HH21 ARG A 72 -1.808 -9.735 9.405 1.00 1.34 H new ATOM 0 HH22 ARG A 72 -2.915 -9.321 10.718 1.00 1.34 H new ATOM 1167 N LYS A 73 -3.781 -8.271 1.207 1.00 55.21 N ATOM 1168 CA LYS A 73 -3.898 -9.559 0.489 1.00 61.30 C ATOM 1169 C LYS A 73 -2.995 -9.570 -0.747 1.00 21.33 C ATOM 1170 O LYS A 73 -2.730 -10.631 -1.321 1.00 32.33 O ATOM 1171 CB LYS A 73 -5.371 -9.856 0.102 1.00 44.34 C ATOM 1172 CG LYS A 73 -6.281 -10.186 1.305 1.00 41.53 C ATOM 1173 CD LYS A 73 -5.779 -11.414 2.115 1.00 21.43 C ATOM 1174 CE LYS A 73 -6.774 -11.863 3.203 1.00 32.20 C ATOM 1175 NZ LYS A 73 -8.074 -12.283 2.628 1.00 5.40 N ATOM 0 H LYS A 73 -4.493 -7.588 0.949 1.00 55.21 H new ATOM 0 HA LYS A 73 -3.568 -10.350 1.162 1.00 61.30 H new ATOM 0 HB2 LYS A 73 -5.779 -8.993 -0.423 1.00 44.34 H new ATOM 0 HB3 LYS A 73 -5.391 -10.693 -0.596 1.00 44.34 H new ATOM 0 HG2 LYS A 73 -6.336 -9.319 1.963 1.00 41.53 H new ATOM 0 HG3 LYS A 73 -7.293 -10.380 0.948 1.00 41.53 H new ATOM 0 HD2 LYS A 73 -5.597 -12.244 1.432 1.00 21.43 H new ATOM 0 HD3 LYS A 73 -4.825 -11.170 2.581 1.00 21.43 H new ATOM 0 HE2 LYS A 73 -6.344 -12.690 3.769 1.00 32.20 H new ATOM 0 HE3 LYS A 73 -6.936 -11.046 3.906 1.00 32.20 H new ATOM 0 HZ1 LYS A 73 -8.630 -12.779 3.353 1.00 5.40 H new ATOM 0 HZ2 LYS A 73 -8.597 -11.445 2.303 1.00 5.40 H new ATOM 0 HZ3 LYS A 73 -7.908 -12.920 1.823 1.00 5.40 H new ATOM 1189 N ALA A 74 -2.566 -8.374 -1.169 1.00 31.21 N ATOM 1190 CA ALA A 74 -1.545 -8.217 -2.205 1.00 53.52 C ATOM 1191 C ALA A 74 -0.128 -8.398 -1.605 1.00 42.23 C ATOM 1192 O ALA A 74 0.709 -9.088 -2.199 1.00 5.04 O ATOM 1193 CB ALA A 74 -1.711 -6.850 -2.894 1.00 30.02 C ATOM 0 H ALA A 74 -2.918 -7.491 -0.801 1.00 31.21 H new ATOM 0 HA ALA A 74 -1.672 -8.992 -2.961 1.00 53.52 H new ATOM 0 HB1 ALA A 74 -0.949 -6.736 -3.665 1.00 30.02 H new ATOM 0 HB2 ALA A 74 -2.700 -6.790 -3.349 1.00 30.02 H new ATOM 0 HB3 ALA A 74 -1.602 -6.055 -2.156 1.00 30.02 H new ATOM 1199 N LEU A 75 0.129 -7.814 -0.405 1.00 64.42 N ATOM 1200 CA LEU A 75 1.496 -7.800 0.182 1.00 0.14 C ATOM 1201 C LEU A 75 1.828 -9.082 0.968 1.00 20.32 C ATOM 1202 O LEU A 75 2.988 -9.503 0.951 1.00 62.40 O ATOM 1203 CB LEU A 75 1.771 -6.544 1.089 1.00 24.12 C ATOM 1204 CG LEU A 75 1.645 -5.102 0.464 1.00 43.01 C ATOM 1205 CD1 LEU A 75 2.169 -4.021 1.440 1.00 3.00 C ATOM 1206 CD2 LEU A 75 2.330 -4.961 -0.915 1.00 33.45 C ATOM 0 H LEU A 75 -0.579 -7.354 0.167 1.00 64.42 H new ATOM 0 HA LEU A 75 2.157 -7.745 -0.683 1.00 0.14 H new ATOM 0 HB2 LEU A 75 1.087 -6.595 1.936 1.00 24.12 H new ATOM 0 HB3 LEU A 75 2.781 -6.642 1.488 1.00 24.12 H new ATOM 0 HG LEU A 75 0.579 -4.947 0.297 1.00 43.01 H new ATOM 0 HD11 LEU A 75 2.069 -3.037 0.981 1.00 3.00 H new ATOM 0 HD12 LEU A 75 1.589 -4.052 2.362 1.00 3.00 H new ATOM 0 HD13 LEU A 75 3.218 -4.212 1.665 1.00 3.00 H new ATOM 0 HD21 LEU A 75 2.202 -3.943 -1.282 1.00 33.45 H new ATOM 0 HD22 LEU A 75 3.393 -5.180 -0.817 1.00 33.45 H new ATOM 0 HD23 LEU A 75 1.878 -5.660 -1.619 1.00 33.45 H new ATOM 1218 N THR A 76 0.837 -9.690 1.664 1.00 52.21 N ATOM 1219 CA THR A 76 1.091 -10.861 2.542 1.00 11.21 C ATOM 1220 C THR A 76 1.669 -12.101 1.783 1.00 30.41 C ATOM 1221 O THR A 76 2.626 -12.680 2.296 1.00 71.03 O ATOM 1222 CB THR A 76 -0.155 -11.245 3.422 1.00 74.22 C ATOM 1223 OG1 THR A 76 -0.464 -10.148 4.291 1.00 43.13 O ATOM 1224 CG2 THR A 76 0.056 -12.519 4.276 1.00 42.32 C ATOM 0 H THR A 76 -0.138 -9.393 1.636 1.00 52.21 H new ATOM 0 HA THR A 76 1.875 -10.533 3.224 1.00 11.21 H new ATOM 0 HB THR A 76 -0.973 -11.459 2.735 1.00 74.22 H new ATOM 0 HG1 THR A 76 -1.001 -9.487 3.806 1.00 43.13 H new ATOM 0 HG21 THR A 76 -0.844 -12.722 4.856 1.00 42.32 H new ATOM 0 HG22 THR A 76 0.264 -13.365 3.622 1.00 42.32 H new ATOM 0 HG23 THR A 76 0.897 -12.368 4.953 1.00 42.32 H new ATOM 1232 N PRO A 77 1.152 -12.549 0.570 1.00 74.21 N ATOM 1233 CA PRO A 77 1.773 -13.689 -0.164 1.00 24.04 C ATOM 1234 C PRO A 77 3.244 -13.405 -0.544 1.00 34.24 C ATOM 1235 O PRO A 77 4.117 -14.270 -0.375 1.00 52.54 O ATOM 1236 CB PRO A 77 0.875 -13.866 -1.422 1.00 32.22 C ATOM 1237 CG PRO A 77 -0.423 -13.215 -1.057 1.00 55.54 C ATOM 1238 CD PRO A 77 -0.051 -12.050 -0.165 1.00 51.42 C ATOM 0 HA PRO A 77 1.818 -14.592 0.445 1.00 24.04 H new ATOM 0 HB2 PRO A 77 1.322 -13.395 -2.297 1.00 32.22 H new ATOM 0 HB3 PRO A 77 0.735 -14.920 -1.664 1.00 32.22 H new ATOM 0 HG2 PRO A 77 -0.956 -12.875 -1.945 1.00 55.54 H new ATOM 0 HG3 PRO A 77 -1.080 -13.913 -0.538 1.00 55.54 H new ATOM 0 HD2 PRO A 77 0.175 -11.155 -0.745 1.00 51.42 H new ATOM 0 HD3 PRO A 77 -0.861 -11.791 0.517 1.00 51.42 H new ATOM 1246 N LEU A 78 3.501 -12.157 -1.011 1.00 42.04 N ATOM 1247 CA LEU A 78 4.867 -11.705 -1.383 1.00 63.35 C ATOM 1248 C LEU A 78 5.779 -11.661 -0.143 1.00 63.52 C ATOM 1249 O LEU A 78 6.996 -11.860 -0.248 1.00 33.51 O ATOM 1250 CB LEU A 78 4.885 -10.292 -2.067 1.00 73.33 C ATOM 1251 CG LEU A 78 3.893 -10.036 -3.270 1.00 4.43 C ATOM 1252 CD1 LEU A 78 4.032 -8.604 -3.848 1.00 74.15 C ATOM 1253 CD2 LEU A 78 4.033 -11.078 -4.417 1.00 22.03 C ATOM 0 H LEU A 78 2.781 -11.446 -1.139 1.00 42.04 H new ATOM 0 HA LEU A 78 5.235 -12.433 -2.106 1.00 63.35 H new ATOM 0 HB2 LEU A 78 4.677 -9.547 -1.299 1.00 73.33 H new ATOM 0 HB3 LEU A 78 5.898 -10.107 -2.425 1.00 73.33 H new ATOM 0 HG LEU A 78 2.898 -10.149 -2.840 1.00 4.43 H new ATOM 0 HD11 LEU A 78 3.331 -8.475 -4.672 1.00 74.15 H new ATOM 0 HD12 LEU A 78 3.814 -7.874 -3.068 1.00 74.15 H new ATOM 0 HD13 LEU A 78 5.049 -8.455 -4.210 1.00 74.15 H new ATOM 0 HD21 LEU A 78 3.323 -10.843 -5.210 1.00 22.03 H new ATOM 0 HD22 LEU A 78 5.047 -11.046 -4.816 1.00 22.03 H new ATOM 0 HD23 LEU A 78 3.827 -12.076 -4.029 1.00 22.03 H new ATOM 1265 N ALA A 79 5.156 -11.378 1.025 1.00 55.23 N ATOM 1266 CA ALA A 79 5.838 -11.317 2.321 1.00 71.22 C ATOM 1267 C ALA A 79 6.276 -12.719 2.752 1.00 22.21 C ATOM 1268 O ALA A 79 7.419 -12.906 3.161 1.00 42.33 O ATOM 1269 CB ALA A 79 4.931 -10.673 3.388 1.00 75.42 C ATOM 0 H ALA A 79 4.156 -11.185 1.085 1.00 55.23 H new ATOM 0 HA ALA A 79 6.726 -10.693 2.217 1.00 71.22 H new ATOM 0 HB1 ALA A 79 5.458 -10.639 4.341 1.00 75.42 H new ATOM 0 HB2 ALA A 79 4.670 -9.660 3.081 1.00 75.42 H new ATOM 0 HB3 ALA A 79 4.022 -11.264 3.498 1.00 75.42 H new ATOM 1275 N ILE A 80 5.371 -13.709 2.586 1.00 3.14 N ATOM 1276 CA ILE A 80 5.623 -15.113 2.987 1.00 33.30 C ATOM 1277 C ILE A 80 6.749 -15.722 2.119 1.00 52.24 C ATOM 1278 O ILE A 80 7.585 -16.485 2.619 1.00 24.03 O ATOM 1279 CB ILE A 80 4.307 -15.990 2.900 1.00 74.24 C ATOM 1280 CG1 ILE A 80 3.167 -15.388 3.799 1.00 64.53 C ATOM 1281 CG2 ILE A 80 4.583 -17.480 3.269 1.00 34.24 C ATOM 1282 CD1 ILE A 80 1.816 -16.087 3.682 1.00 31.33 C ATOM 0 H ILE A 80 4.450 -13.560 2.173 1.00 3.14 H new ATOM 0 HA ILE A 80 5.944 -15.113 4.029 1.00 33.30 H new ATOM 0 HB ILE A 80 3.968 -15.968 1.864 1.00 74.24 H new ATOM 0 HG12 ILE A 80 3.489 -15.424 4.840 1.00 64.53 H new ATOM 0 HG13 ILE A 80 3.039 -14.337 3.541 1.00 64.53 H new ATOM 0 HG21 ILE A 80 3.657 -18.050 3.198 1.00 34.24 H new ATOM 0 HG22 ILE A 80 5.318 -17.895 2.580 1.00 34.24 H new ATOM 0 HG23 ILE A 80 4.967 -17.537 4.287 1.00 34.24 H new ATOM 0 HD11 ILE A 80 1.096 -15.600 4.339 1.00 31.33 H new ATOM 0 HD12 ILE A 80 1.464 -16.029 2.652 1.00 31.33 H new ATOM 0 HD13 ILE A 80 1.921 -17.133 3.971 1.00 31.33 H new ATOM 1294 N ASN A 81 6.776 -15.349 0.825 1.00 24.40 N ATOM 1295 CA ASN A 81 7.883 -15.730 -0.084 1.00 43.12 C ATOM 1296 C ASN A 81 9.137 -14.848 0.177 1.00 24.52 C ATOM 1297 O ASN A 81 10.255 -15.247 -0.167 1.00 74.10 O ATOM 1298 CB ASN A 81 7.417 -15.663 -1.569 1.00 13.44 C ATOM 1299 CG ASN A 81 8.455 -16.195 -2.581 1.00 2.44 C ATOM 1300 OD1 ASN A 81 9.330 -16.998 -2.251 1.00 44.34 O ATOM 1301 ND2 ASN A 81 8.328 -15.801 -3.833 1.00 51.31 N ATOM 0 H ASN A 81 6.049 -14.786 0.384 1.00 24.40 H new ATOM 0 HA ASN A 81 8.168 -16.762 0.121 1.00 43.12 H new ATOM 0 HB2 ASN A 81 6.496 -16.235 -1.675 1.00 13.44 H new ATOM 0 HB3 ASN A 81 7.180 -14.629 -1.818 1.00 13.44 H new ATOM 0 HD21 ASN A 81 8.960 -16.162 -4.548 1.00 51.31 H new ATOM 0 HD22 ASN A 81 7.598 -15.136 -4.087 1.00 51.31 H new ATOM 1308 N ARG A 82 8.929 -13.670 0.832 1.00 23.22 N ATOM 1309 CA ARG A 82 10.009 -12.728 1.221 1.00 13.41 C ATOM 1310 C ARG A 82 10.740 -12.156 -0.022 1.00 73.33 C ATOM 1311 O ARG A 82 11.954 -12.326 -0.168 1.00 2.40 O ATOM 1312 CB ARG A 82 11.022 -13.371 2.252 1.00 2.41 C ATOM 1313 CG ARG A 82 10.437 -13.774 3.635 1.00 2.44 C ATOM 1314 CD ARG A 82 11.489 -14.379 4.593 1.00 53.54 C ATOM 1315 NE ARG A 82 10.920 -14.685 5.920 1.00 61.13 N ATOM 1316 CZ ARG A 82 11.599 -14.673 7.085 1.00 13.32 C ATOM 1317 NH1 ARG A 82 12.897 -14.367 7.119 1.00 4.54 N ATOM 1318 NH2 ARG A 82 10.969 -14.960 8.211 1.00 52.03 N ATOM 0 H ARG A 82 8.000 -13.350 1.105 1.00 23.22 H new ATOM 0 HA ARG A 82 9.531 -11.892 1.733 1.00 13.41 H new ATOM 0 HB2 ARG A 82 11.459 -14.258 1.794 1.00 2.41 H new ATOM 0 HB3 ARG A 82 11.835 -12.665 2.418 1.00 2.41 H new ATOM 0 HG2 ARG A 82 9.992 -12.896 4.103 1.00 2.44 H new ATOM 0 HG3 ARG A 82 9.634 -14.496 3.485 1.00 2.44 H new ATOM 0 HD2 ARG A 82 11.896 -15.290 4.155 1.00 53.54 H new ATOM 0 HD3 ARG A 82 12.319 -13.681 4.707 1.00 53.54 H new ATOM 0 HE ARG A 82 9.930 -14.926 5.959 1.00 61.13 H new ATOM 0 HH11 ARG A 82 13.390 -14.138 6.256 1.00 4.54 H new ATOM 0 HH12 ARG A 82 13.397 -14.362 8.008 1.00 4.54 H new ATOM 0 HH21 ARG A 82 9.975 -15.189 8.195 1.00 52.03 H new ATOM 0 HH22 ARG A 82 11.477 -14.953 9.096 1.00 52.03 H new ATOM 1332 N THR A 83 9.989 -11.490 -0.927 1.00 63.33 N ATOM 1333 CA THR A 83 10.571 -10.864 -2.147 1.00 51.33 C ATOM 1334 C THR A 83 10.307 -9.339 -2.178 1.00 61.55 C ATOM 1335 O THR A 83 10.900 -8.629 -3.002 1.00 10.21 O ATOM 1336 CB THR A 83 10.025 -11.535 -3.466 1.00 42.40 C ATOM 1337 OG1 THR A 83 10.887 -11.239 -4.582 1.00 24.51 O ATOM 1338 CG2 THR A 83 8.598 -11.070 -3.813 1.00 10.22 C ATOM 0 H THR A 83 8.980 -11.369 -0.841 1.00 63.33 H new ATOM 0 HA THR A 83 11.647 -11.030 -2.103 1.00 51.33 H new ATOM 0 HB THR A 83 10.004 -12.608 -3.278 1.00 42.40 H new ATOM 0 HG1 THR A 83 11.225 -10.323 -4.501 1.00 24.51 H new ATOM 0 HG21 THR A 83 8.268 -11.560 -4.729 1.00 10.22 H new ATOM 0 HG22 THR A 83 7.922 -11.330 -2.998 1.00 10.22 H new ATOM 0 HG23 THR A 83 8.592 -9.990 -3.958 1.00 10.22 H new ATOM 1346 N LEU A 84 9.417 -8.849 -1.282 1.00 73.14 N ATOM 1347 CA LEU A 84 9.034 -7.423 -1.217 1.00 53.42 C ATOM 1348 C LEU A 84 10.256 -6.648 -0.701 1.00 51.03 C ATOM 1349 O LEU A 84 10.840 -7.046 0.313 1.00 2.03 O ATOM 1350 CB LEU A 84 7.778 -7.262 -0.291 1.00 24.35 C ATOM 1351 CG LEU A 84 6.948 -5.917 -0.329 1.00 21.41 C ATOM 1352 CD1 LEU A 84 5.581 -6.122 0.355 1.00 21.43 C ATOM 1353 CD2 LEU A 84 7.672 -4.711 0.329 1.00 24.11 C ATOM 0 H LEU A 84 8.948 -9.431 -0.588 1.00 73.14 H new ATOM 0 HA LEU A 84 8.753 -7.027 -2.193 1.00 53.42 H new ATOM 0 HB2 LEU A 84 7.092 -8.075 -0.527 1.00 24.35 H new ATOM 0 HB3 LEU A 84 8.109 -7.412 0.737 1.00 24.35 H new ATOM 0 HG LEU A 84 6.824 -5.672 -1.384 1.00 21.41 H new ATOM 0 HD11 LEU A 84 5.016 -5.191 0.324 1.00 21.43 H new ATOM 0 HD12 LEU A 84 5.026 -6.901 -0.168 1.00 21.43 H new ATOM 0 HD13 LEU A 84 5.734 -6.420 1.392 1.00 21.43 H new ATOM 0 HD21 LEU A 84 7.039 -3.826 0.263 1.00 24.11 H new ATOM 0 HD22 LEU A 84 7.874 -4.935 1.376 1.00 24.11 H new ATOM 0 HD23 LEU A 84 8.612 -4.524 -0.190 1.00 24.11 H new ATOM 1365 N ASN A 85 10.646 -5.587 -1.453 1.00 4.35 N ATOM 1366 CA ASN A 85 11.845 -4.694 -1.174 1.00 52.40 C ATOM 1367 C ASN A 85 12.102 -4.446 0.345 1.00 44.52 C ATOM 1368 O ASN A 85 13.253 -4.252 0.746 1.00 42.30 O ATOM 1369 CB ASN A 85 11.723 -3.315 -1.933 1.00 55.52 C ATOM 1370 CG ASN A 85 12.915 -2.356 -1.748 1.00 62.41 C ATOM 1371 OD1 ASN A 85 14.050 -2.773 -1.525 1.00 11.51 O ATOM 1372 ND2 ASN A 85 12.677 -1.060 -1.890 1.00 71.20 N ATOM 0 H ASN A 85 10.138 -5.306 -2.292 1.00 4.35 H new ATOM 0 HA ASN A 85 12.707 -5.242 -1.554 1.00 52.40 H new ATOM 0 HB2 ASN A 85 11.600 -3.514 -2.998 1.00 55.52 H new ATOM 0 HB3 ASN A 85 10.817 -2.812 -1.596 1.00 55.52 H new ATOM 0 HD21 ASN A 85 13.442 -0.390 -1.815 1.00 71.20 H new ATOM 0 HD22 ASN A 85 11.729 -0.733 -2.075 1.00 71.20 H new ATOM 1379 N HIS A 86 11.007 -4.426 1.153 1.00 33.34 N ATOM 1380 CA HIS A 86 11.027 -4.365 2.646 1.00 74.24 C ATOM 1381 C HIS A 86 11.280 -2.927 3.155 1.00 30.01 C ATOM 1382 O HIS A 86 11.165 -2.646 4.355 1.00 54.31 O ATOM 1383 CB HIS A 86 12.038 -5.397 3.251 1.00 61.44 C ATOM 1384 CG HIS A 86 11.970 -5.585 4.749 1.00 24.15 C ATOM 1385 ND1 HIS A 86 11.033 -6.398 5.363 1.00 60.12 N ATOM 1386 CD2 HIS A 86 12.731 -5.084 5.756 1.00 32.24 C ATOM 1387 CE1 HIS A 86 11.221 -6.379 6.666 1.00 11.44 C ATOM 1388 NE2 HIS A 86 12.244 -5.595 6.928 1.00 11.23 N ATOM 0 H HIS A 86 10.059 -4.452 0.776 1.00 33.34 H new ATOM 0 HA HIS A 86 10.036 -4.652 2.999 1.00 74.24 H new ATOM 0 HB2 HIS A 86 11.870 -6.363 2.775 1.00 61.44 H new ATOM 0 HB3 HIS A 86 13.048 -5.083 2.989 1.00 61.44 H new ATOM 0 HD2 HIS A 86 13.566 -4.407 5.651 1.00 32.24 H new ATOM 0 HE1 HIS A 86 10.634 -6.916 7.396 1.00 11.44 H new ATOM 0 HE2 HIS A 86 12.615 -5.399 7.858 1.00 11.23 H new ATOM 1397 N ASP A 87 11.571 -2.007 2.220 1.00 64.01 N ATOM 1398 CA ASP A 87 11.862 -0.594 2.529 1.00 32.11 C ATOM 1399 C ASP A 87 10.569 0.186 2.963 1.00 11.52 C ATOM 1400 O ASP A 87 10.673 1.269 3.554 1.00 43.14 O ATOM 1401 CB ASP A 87 12.635 0.066 1.322 1.00 15.11 C ATOM 1402 CG ASP A 87 12.814 1.585 1.444 1.00 2.33 C ATOM 1403 OD1 ASP A 87 13.811 2.047 2.037 1.00 42.22 O ATOM 1404 OD2 ASP A 87 11.948 2.323 0.955 1.00 33.22 O ATOM 0 H ASP A 87 11.612 -2.222 1.224 1.00 64.01 H new ATOM 0 HA ASP A 87 12.521 -0.541 3.396 1.00 32.11 H new ATOM 0 HB2 ASP A 87 13.617 -0.398 1.237 1.00 15.11 H new ATOM 0 HB3 ASP A 87 12.098 -0.152 0.399 1.00 15.11 H new ATOM 1409 N LEU A 88 9.352 -0.384 2.733 1.00 22.21 N ATOM 1410 CA LEU A 88 8.081 0.238 3.189 1.00 2.53 C ATOM 1411 C LEU A 88 7.247 -0.759 4.008 1.00 11.33 C ATOM 1412 O LEU A 88 6.005 -0.714 3.984 1.00 13.33 O ATOM 1413 CB LEU A 88 7.232 0.815 2.015 1.00 61.34 C ATOM 1414 CG LEU A 88 6.855 -0.167 0.832 1.00 43.12 C ATOM 1415 CD1 LEU A 88 5.446 0.152 0.275 1.00 11.43 C ATOM 1416 CD2 LEU A 88 7.906 -0.106 -0.311 1.00 5.41 C ATOM 0 H LEU A 88 9.228 -1.267 2.238 1.00 22.21 H new ATOM 0 HA LEU A 88 8.361 1.079 3.824 1.00 2.53 H new ATOM 0 HB2 LEU A 88 6.306 1.209 2.432 1.00 61.34 H new ATOM 0 HB3 LEU A 88 7.775 1.659 1.591 1.00 61.34 H new ATOM 0 HG LEU A 88 6.850 -1.178 1.239 1.00 43.12 H new ATOM 0 HD11 LEU A 88 5.211 -0.537 -0.537 1.00 11.43 H new ATOM 0 HD12 LEU A 88 4.707 0.042 1.069 1.00 11.43 H new ATOM 0 HD13 LEU A 88 5.426 1.175 -0.100 1.00 11.43 H new ATOM 0 HD21 LEU A 88 7.618 -0.792 -1.108 1.00 5.41 H new ATOM 0 HD22 LEU A 88 7.955 0.909 -0.706 1.00 5.41 H new ATOM 0 HD23 LEU A 88 8.883 -0.392 0.078 1.00 5.41 H new ATOM 1428 N SER A 89 7.924 -1.634 4.775 1.00 31.41 N ATOM 1429 CA SER A 89 7.240 -2.569 5.698 1.00 21.40 C ATOM 1430 C SER A 89 6.464 -1.792 6.794 1.00 71.13 C ATOM 1431 O SER A 89 5.518 -2.318 7.398 1.00 73.13 O ATOM 1432 CB SER A 89 8.255 -3.533 6.329 1.00 61.11 C ATOM 1433 OG SER A 89 8.940 -4.255 5.334 1.00 3.13 O ATOM 0 H SER A 89 8.941 -1.716 4.776 1.00 31.41 H new ATOM 0 HA SER A 89 6.519 -3.153 5.126 1.00 21.40 H new ATOM 0 HB2 SER A 89 8.968 -2.973 6.935 1.00 61.11 H new ATOM 0 HB3 SER A 89 7.741 -4.224 6.998 1.00 61.11 H new ATOM 0 HG SER A 89 9.717 -3.740 5.032 1.00 3.13 H new ATOM 1439 N GLU A 90 6.903 -0.529 7.019 1.00 74.53 N ATOM 1440 CA GLU A 90 6.234 0.462 7.880 1.00 41.13 C ATOM 1441 C GLU A 90 4.729 0.607 7.529 1.00 11.25 C ATOM 1442 O GLU A 90 3.905 0.784 8.418 1.00 21.20 O ATOM 1443 CB GLU A 90 6.953 1.845 7.757 1.00 55.42 C ATOM 1444 CG GLU A 90 6.728 2.616 6.418 1.00 62.40 C ATOM 1445 CD GLU A 90 7.513 3.937 6.324 1.00 1.24 C ATOM 1446 OE1 GLU A 90 8.326 4.103 5.390 1.00 75.12 O ATOM 1447 OE2 GLU A 90 7.331 4.808 7.199 1.00 32.31 O ATOM 0 H GLU A 90 7.756 -0.168 6.592 1.00 74.53 H new ATOM 0 HA GLU A 90 6.298 0.109 8.909 1.00 41.13 H new ATOM 0 HB2 GLU A 90 6.621 2.479 8.579 1.00 55.42 H new ATOM 0 HB3 GLU A 90 8.024 1.689 7.888 1.00 55.42 H new ATOM 0 HG2 GLU A 90 7.016 1.973 5.586 1.00 62.40 H new ATOM 0 HG3 GLU A 90 5.665 2.827 6.305 1.00 62.40 H new ATOM 1454 N LEU A 91 4.411 0.525 6.215 1.00 35.32 N ATOM 1455 CA LEU A 91 3.038 0.648 5.689 1.00 75.43 C ATOM 1456 C LEU A 91 2.201 -0.581 6.074 1.00 70.43 C ATOM 1457 O LEU A 91 1.066 -0.449 6.556 1.00 3.24 O ATOM 1458 CB LEU A 91 3.075 0.836 4.142 1.00 32.43 C ATOM 1459 CG LEU A 91 1.688 0.892 3.409 1.00 31.34 C ATOM 1460 CD1 LEU A 91 0.814 2.051 3.934 1.00 33.30 C ATOM 1461 CD2 LEU A 91 1.868 0.967 1.876 1.00 4.04 C ATOM 0 H LEU A 91 5.109 0.370 5.487 1.00 35.32 H new ATOM 0 HA LEU A 91 2.567 1.526 6.132 1.00 75.43 H new ATOM 0 HB2 LEU A 91 3.614 1.758 3.923 1.00 32.43 H new ATOM 0 HB3 LEU A 91 3.655 0.019 3.713 1.00 32.43 H new ATOM 0 HG LEU A 91 1.161 -0.035 3.634 1.00 31.34 H new ATOM 0 HD11 LEU A 91 -0.138 2.058 3.403 1.00 33.30 H new ATOM 0 HD12 LEU A 91 0.634 1.917 5.001 1.00 33.30 H new ATOM 0 HD13 LEU A 91 1.328 2.998 3.769 1.00 33.30 H new ATOM 0 HD21 LEU A 91 0.890 1.005 1.396 1.00 4.04 H new ATOM 0 HD22 LEU A 91 2.433 1.863 1.619 1.00 4.04 H new ATOM 0 HD23 LEU A 91 2.408 0.086 1.530 1.00 4.04 H new ATOM 1473 N TYR A 92 2.799 -1.778 5.884 1.00 41.23 N ATOM 1474 CA TYR A 92 2.165 -3.066 6.216 1.00 72.20 C ATOM 1475 C TYR A 92 1.859 -3.133 7.728 1.00 41.51 C ATOM 1476 O TYR A 92 0.814 -3.639 8.139 1.00 3.21 O ATOM 1477 CB TYR A 92 3.086 -4.241 5.780 1.00 51.43 C ATOM 1478 CG TYR A 92 2.529 -5.657 6.048 1.00 41.31 C ATOM 1479 CD1 TYR A 92 3.305 -6.634 6.684 1.00 0.24 C ATOM 1480 CD2 TYR A 92 1.223 -6.016 5.668 1.00 53.13 C ATOM 1481 CE1 TYR A 92 2.806 -7.903 6.926 1.00 41.04 C ATOM 1482 CE2 TYR A 92 0.732 -7.281 5.911 1.00 60.43 C ATOM 1483 CZ TYR A 92 1.522 -8.220 6.539 1.00 74.02 C ATOM 1484 OH TYR A 92 1.020 -9.479 6.787 1.00 61.30 O ATOM 0 H TYR A 92 3.737 -1.874 5.495 1.00 41.23 H new ATOM 0 HA TYR A 92 1.223 -3.152 5.675 1.00 72.20 H new ATOM 0 HB2 TYR A 92 3.288 -4.145 4.713 1.00 51.43 H new ATOM 0 HB3 TYR A 92 4.041 -4.142 6.296 1.00 51.43 H new ATOM 0 HD1 TYR A 92 4.312 -6.393 6.992 1.00 0.24 H new ATOM 0 HD2 TYR A 92 0.594 -5.288 5.177 1.00 53.13 H new ATOM 0 HE1 TYR A 92 3.422 -8.642 7.417 1.00 41.04 H new ATOM 0 HE2 TYR A 92 -0.273 -7.537 5.609 1.00 60.43 H new ATOM 0 HH TYR A 92 0.508 -9.786 6.010 1.00 61.30 H new ATOM 1494 N LYS A 93 2.771 -2.549 8.534 1.00 62.41 N ATOM 1495 CA LYS A 93 2.664 -2.533 10.009 1.00 61.14 C ATOM 1496 C LYS A 93 1.738 -1.391 10.478 1.00 35.44 C ATOM 1497 O LYS A 93 1.142 -1.484 11.559 1.00 31.01 O ATOM 1498 CB LYS A 93 4.075 -2.425 10.684 1.00 41.55 C ATOM 1499 CG LYS A 93 4.776 -3.779 10.993 1.00 1.11 C ATOM 1500 CD LYS A 93 3.967 -4.657 11.989 1.00 53.02 C ATOM 1501 CE LYS A 93 4.713 -5.945 12.381 1.00 63.04 C ATOM 1502 NZ LYS A 93 3.910 -6.820 13.278 1.00 35.33 N ATOM 0 H LYS A 93 3.602 -2.075 8.181 1.00 62.41 H new ATOM 0 HA LYS A 93 2.222 -3.480 10.321 1.00 61.14 H new ATOM 0 HB2 LYS A 93 4.725 -1.839 10.034 1.00 41.55 H new ATOM 0 HB3 LYS A 93 3.971 -1.869 11.616 1.00 41.55 H new ATOM 0 HG2 LYS A 93 4.921 -4.330 10.063 1.00 1.11 H new ATOM 0 HG3 LYS A 93 5.766 -3.586 11.406 1.00 1.11 H new ATOM 0 HD2 LYS A 93 3.752 -4.078 12.887 1.00 53.02 H new ATOM 0 HD3 LYS A 93 3.008 -4.918 11.542 1.00 53.02 H new ATOM 0 HE2 LYS A 93 4.975 -6.498 11.479 1.00 63.04 H new ATOM 0 HE3 LYS A 93 5.648 -5.683 12.877 1.00 63.04 H new ATOM 0 HZ1 LYS A 93 4.457 -7.673 13.512 1.00 35.33 H new ATOM 0 HZ2 LYS A 93 3.681 -6.305 14.152 1.00 35.33 H new ATOM 0 HZ3 LYS A 93 3.029 -7.095 12.798 1.00 35.33 H new ATOM 1516 N PHE A 94 1.625 -0.325 9.656 1.00 32.25 N ATOM 1517 CA PHE A 94 0.765 0.832 9.961 1.00 40.15 C ATOM 1518 C PHE A 94 -0.716 0.451 9.851 1.00 54.32 C ATOM 1519 O PHE A 94 -1.516 0.853 10.686 1.00 42.34 O ATOM 1520 CB PHE A 94 1.091 2.036 9.029 1.00 72.44 C ATOM 1521 CG PHE A 94 0.130 3.230 9.148 1.00 15.53 C ATOM 1522 CD1 PHE A 94 -0.751 3.556 8.108 1.00 51.12 C ATOM 1523 CD2 PHE A 94 0.091 4.017 10.306 1.00 24.13 C ATOM 1524 CE1 PHE A 94 -1.625 4.619 8.226 1.00 2.33 C ATOM 1525 CE2 PHE A 94 -0.789 5.081 10.415 1.00 70.13 C ATOM 1526 CZ PHE A 94 -1.642 5.380 9.376 1.00 1.31 C ATOM 0 H PHE A 94 2.124 -0.245 8.770 1.00 32.25 H new ATOM 0 HA PHE A 94 0.967 1.137 10.988 1.00 40.15 H new ATOM 0 HB2 PHE A 94 2.102 2.380 9.246 1.00 72.44 H new ATOM 0 HB3 PHE A 94 1.087 1.688 7.996 1.00 72.44 H new ATOM 0 HD1 PHE A 94 -0.746 2.968 7.202 1.00 51.12 H new ATOM 0 HD2 PHE A 94 0.757 3.791 11.126 1.00 24.13 H new ATOM 0 HE1 PHE A 94 -2.298 4.855 7.415 1.00 2.33 H new ATOM 0 HE2 PHE A 94 -0.806 5.677 11.316 1.00 70.13 H new ATOM 0 HZ PHE A 94 -2.325 6.212 9.462 1.00 1.31 H new ATOM 1536 N ILE A 95 -1.075 -0.336 8.819 1.00 54.13 N ATOM 1537 CA ILE A 95 -2.481 -0.771 8.620 1.00 13.10 C ATOM 1538 C ILE A 95 -2.907 -1.845 9.667 1.00 12.22 C ATOM 1539 O ILE A 95 -4.083 -2.227 9.726 1.00 72.13 O ATOM 1540 CB ILE A 95 -2.772 -1.231 7.130 1.00 34.10 C ATOM 1541 CG1 ILE A 95 -2.224 -2.677 6.803 1.00 62.44 C ATOM 1542 CG2 ILE A 95 -2.265 -0.154 6.122 1.00 54.33 C ATOM 1543 CD1 ILE A 95 -2.120 -3.008 5.320 1.00 45.41 C ATOM 0 H ILE A 95 -0.424 -0.683 8.115 1.00 54.13 H new ATOM 0 HA ILE A 95 -3.107 0.105 8.791 1.00 13.10 H new ATOM 0 HB ILE A 95 -3.853 -1.314 7.021 1.00 34.10 H new ATOM 0 HG12 ILE A 95 -1.237 -2.785 7.254 1.00 62.44 H new ATOM 0 HG13 ILE A 95 -2.874 -3.411 7.279 1.00 62.44 H new ATOM 0 HG21 ILE A 95 -2.471 -0.483 5.104 1.00 54.33 H new ATOM 0 HG22 ILE A 95 -2.778 0.790 6.309 1.00 54.33 H new ATOM 0 HG23 ILE A 95 -1.191 -0.015 6.248 1.00 54.33 H new ATOM 0 HD11 ILE A 95 -1.735 -4.020 5.199 1.00 45.41 H new ATOM 0 HD12 ILE A 95 -3.106 -2.938 4.862 1.00 45.41 H new ATOM 0 HD13 ILE A 95 -1.444 -2.303 4.836 1.00 45.41 H new ATOM 1555 N THR A 96 -1.941 -2.299 10.519 1.00 20.21 N ATOM 1556 CA THR A 96 -2.205 -3.216 11.655 1.00 42.24 C ATOM 1557 C THR A 96 -1.909 -2.521 13.005 1.00 70.25 C ATOM 1558 O THR A 96 -1.893 -3.180 14.053 1.00 63.30 O ATOM 1559 CB THR A 96 -1.363 -4.541 11.546 1.00 75.44 C ATOM 1560 OG1 THR A 96 0.018 -4.231 11.301 1.00 61.35 O ATOM 1561 CG2 THR A 96 -1.881 -5.484 10.450 1.00 24.21 C ATOM 0 H THR A 96 -0.959 -2.036 10.432 1.00 20.21 H new ATOM 0 HA THR A 96 -3.262 -3.479 11.611 1.00 42.24 H new ATOM 0 HB THR A 96 -1.467 -5.060 12.499 1.00 75.44 H new ATOM 0 HG1 THR A 96 0.182 -3.286 11.504 1.00 61.35 H new ATOM 0 HG21 THR A 96 -1.263 -6.381 10.420 1.00 24.21 H new ATOM 0 HG22 THR A 96 -2.913 -5.761 10.666 1.00 24.21 H new ATOM 0 HG23 THR A 96 -1.836 -4.980 9.485 1.00 24.21 H new