USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 Single : A 27 MET CE :methyl 161:sc= -0.167 (180deg=-0.846) USER MOD Single : A 30 HIS : no HD1:sc= -0.784 X(o=-0.78,f=-0.59) USER MOD Single : A 33 THR OG1 : rot 63:sc= -0.458 USER MOD Single : A 36 SER OG : rot -170:sc= -0.849 USER MOD Single : A 39 SER OG : rot -82:sc= 0.999 USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0.63 (180deg=0.605) USER MOD Single : A 47 SER OG : rot 111:sc= -2.02! USER MOD Single : A 50 SER OG : rot 180:sc= -0.0401 USER MOD Single : A 52 MET CE :methyl -140:sc= -2.85! (180deg=-7.04!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 73:sc= 0.744 USER MOD Single : A 66 SER OG : rot 110:sc= 0.397 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0199 F(o=-1,f=-0.02) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HE2:sc= -0.445 K(o=-0.45,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 392 N MET A 27 5.369 -10.283 -1.850 1.00 0.00 N ATOM 393 CA MET A 27 5.105 -8.884 -1.479 1.00 0.00 C ATOM 394 C MET A 27 4.494 -8.120 -2.666 1.00 0.00 C ATOM 395 O MET A 27 3.411 -7.563 -2.540 1.00 0.00 O ATOM 396 CB MET A 27 6.414 -8.172 -1.009 1.00 0.00 C ATOM 397 CG MET A 27 6.281 -6.642 -0.819 1.00 0.00 C ATOM 398 SD MET A 27 7.835 -5.847 -0.368 1.00 0.00 S ATOM 399 CE MET A 27 7.437 -4.114 -0.629 1.00 0.00 C ATOM 0 HA MET A 27 4.395 -8.886 -0.652 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.735 -8.616 -0.067 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.200 -8.368 -1.738 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.907 -6.198 -1.742 1.00 0.00 H new ATOM 0 HG3 MET A 27 5.539 -6.441 -0.046 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.150 -3.492 -0.088 1.00 0.00 H new ATOM 0 HE2 MET A 27 7.489 -3.885 -1.693 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.430 -3.913 -0.264 1.00 0.00 H new ATOM 409 N GLU A 28 5.200 -8.156 -3.812 1.00 0.00 N ATOM 410 CA GLU A 28 4.938 -7.286 -4.977 1.00 0.00 C ATOM 411 C GLU A 28 3.543 -7.495 -5.571 1.00 0.00 C ATOM 412 O GLU A 28 2.754 -6.550 -5.648 1.00 0.00 O ATOM 413 CB GLU A 28 6.030 -7.513 -6.056 1.00 0.00 C ATOM 414 CG GLU A 28 5.815 -6.747 -7.384 1.00 0.00 C ATOM 415 CD GLU A 28 7.032 -6.815 -8.319 1.00 0.00 C ATOM 416 OE1 GLU A 28 8.037 -6.125 -8.030 1.00 0.00 O ATOM 417 OE2 GLU A 28 7.000 -7.564 -9.317 1.00 0.00 O ATOM 0 H GLU A 28 5.979 -8.798 -3.958 1.00 0.00 H new ATOM 0 HA GLU A 28 4.974 -6.254 -4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.995 -7.223 -5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.085 -8.579 -6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.946 -7.158 -7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.591 -5.703 -7.163 1.00 0.00 H new ATOM 424 N ASP A 29 3.251 -8.738 -5.975 1.00 0.00 N ATOM 425 CA ASP A 29 1.983 -9.089 -6.635 1.00 0.00 C ATOM 426 C ASP A 29 0.791 -8.813 -5.703 1.00 0.00 C ATOM 427 O ASP A 29 -0.220 -8.243 -6.135 1.00 0.00 O ATOM 428 CB ASP A 29 1.993 -10.573 -7.082 1.00 0.00 C ATOM 429 CG ASP A 29 0.715 -10.975 -7.853 1.00 0.00 C ATOM 430 OD1 ASP A 29 0.552 -10.530 -9.006 1.00 0.00 O ATOM 431 OD2 ASP A 29 -0.138 -11.709 -7.311 1.00 0.00 O ATOM 0 H ASP A 29 3.884 -9.528 -5.855 1.00 0.00 H new ATOM 0 HA ASP A 29 1.875 -8.464 -7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.864 -10.752 -7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.098 -11.211 -6.205 1.00 0.00 H new ATOM 436 N HIS A 30 0.953 -9.194 -4.418 1.00 0.00 N ATOM 437 CA HIS A 30 -0.066 -8.978 -3.378 1.00 0.00 C ATOM 438 C HIS A 30 -0.249 -7.480 -3.077 1.00 0.00 C ATOM 439 O HIS A 30 -1.345 -7.059 -2.731 1.00 0.00 O ATOM 440 CB HIS A 30 0.301 -9.734 -2.079 1.00 0.00 C ATOM 441 CG HIS A 30 -0.724 -9.613 -0.978 1.00 0.00 C ATOM 442 ND1 HIS A 30 -1.839 -10.412 -0.903 1.00 0.00 N ATOM 443 CD2 HIS A 30 -0.828 -8.739 0.050 1.00 0.00 C ATOM 444 CE1 HIS A 30 -2.585 -10.034 0.107 1.00 0.00 C ATOM 445 NE2 HIS A 30 -1.998 -9.022 0.707 1.00 0.00 N ATOM 0 H HIS A 30 1.794 -9.659 -4.076 1.00 0.00 H new ATOM 0 HA HIS A 30 -1.008 -9.371 -3.760 1.00 0.00 H new ATOM 0 HB2 HIS A 30 0.441 -10.789 -2.314 1.00 0.00 H new ATOM 0 HB3 HIS A 30 1.257 -9.359 -1.712 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.121 -7.963 0.305 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.525 -10.480 0.398 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.354 -8.529 1.526 1.00 0.00 H new ATOM 454 N LEU A 31 0.837 -6.697 -3.204 1.00 0.00 N ATOM 455 CA LEU A 31 0.823 -5.243 -2.936 1.00 0.00 C ATOM 456 C LEU A 31 -0.092 -4.550 -3.956 1.00 0.00 C ATOM 457 O LEU A 31 -0.936 -3.742 -3.591 1.00 0.00 O ATOM 458 CB LEU A 31 2.266 -4.662 -2.982 1.00 0.00 C ATOM 459 CG LEU A 31 2.451 -3.210 -2.438 1.00 0.00 C ATOM 460 CD1 LEU A 31 2.062 -3.117 -0.936 1.00 0.00 C ATOM 461 CD2 LEU A 31 3.899 -2.706 -2.676 1.00 0.00 C ATOM 0 H LEU A 31 1.748 -7.051 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 31 0.433 -5.061 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.919 -5.325 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.610 -4.685 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 31 1.776 -2.558 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.202 -2.094 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.018 -3.403 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.694 -3.788 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.000 -1.693 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.602 -3.363 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.114 -2.708 -3.745 1.00 0.00 H new ATOM 473 N LEU A 32 0.066 -4.946 -5.232 1.00 0.00 N ATOM 474 CA LEU A 32 -0.786 -4.481 -6.347 1.00 0.00 C ATOM 475 C LEU A 32 -2.244 -4.967 -6.177 1.00 0.00 C ATOM 476 O LEU A 32 -3.175 -4.282 -6.611 1.00 0.00 O ATOM 477 CB LEU A 32 -0.193 -4.943 -7.720 1.00 0.00 C ATOM 478 CG LEU A 32 0.954 -4.056 -8.334 1.00 0.00 C ATOM 479 CD1 LEU A 32 2.129 -3.841 -7.355 1.00 0.00 C ATOM 480 CD2 LEU A 32 1.455 -4.652 -9.675 1.00 0.00 C ATOM 0 H LEU A 32 0.792 -5.601 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.800 -3.391 -6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.189 -5.957 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.008 -4.992 -8.442 1.00 0.00 H new ATOM 0 HG LEU A 32 0.522 -3.074 -8.527 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.890 -3.223 -7.831 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.767 -3.343 -6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.560 -4.805 -7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.247 -4.022 -10.080 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.842 -5.657 -9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.629 -4.697 -10.384 1.00 0.00 H new ATOM 492 N THR A 33 -2.429 -6.157 -5.550 1.00 0.00 N ATOM 493 CA THR A 33 -3.776 -6.712 -5.256 1.00 0.00 C ATOM 494 C THR A 33 -4.482 -5.844 -4.201 1.00 0.00 C ATOM 495 O THR A 33 -5.667 -5.552 -4.315 1.00 0.00 O ATOM 496 CB THR A 33 -3.716 -8.197 -4.737 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.883 -8.983 -5.593 1.00 0.00 O ATOM 498 CG2 THR A 33 -5.113 -8.846 -4.668 1.00 0.00 C ATOM 0 H THR A 33 -1.661 -6.751 -5.238 1.00 0.00 H new ATOM 0 HA THR A 33 -4.332 -6.706 -6.193 1.00 0.00 H new ATOM 0 HB THR A 33 -3.303 -8.166 -3.729 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.965 -8.641 -5.560 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.021 -9.870 -4.305 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.746 -8.275 -3.989 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.561 -8.853 -5.662 1.00 0.00 H new ATOM 506 N VAL A 34 -3.707 -5.441 -3.185 1.00 0.00 N ATOM 507 CA VAL A 34 -4.166 -4.570 -2.098 1.00 0.00 C ATOM 508 C VAL A 34 -4.627 -3.213 -2.658 1.00 0.00 C ATOM 509 O VAL A 34 -5.689 -2.717 -2.285 1.00 0.00 O ATOM 510 CB VAL A 34 -3.026 -4.382 -1.017 1.00 0.00 C ATOM 511 CG1 VAL A 34 -3.284 -3.179 -0.089 1.00 0.00 C ATOM 512 CG2 VAL A 34 -2.824 -5.680 -0.193 1.00 0.00 C ATOM 0 H VAL A 34 -2.729 -5.716 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.018 -5.042 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.107 -4.169 -1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.472 -3.096 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.337 -2.266 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.226 -3.323 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.035 -5.525 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.752 -5.935 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.542 -6.494 -0.860 1.00 0.00 H new ATOM 522 N LEU A 35 -3.826 -2.653 -3.580 1.00 0.00 N ATOM 523 CA LEU A 35 -4.127 -1.368 -4.231 1.00 0.00 C ATOM 524 C LEU A 35 -5.350 -1.492 -5.147 1.00 0.00 C ATOM 525 O LEU A 35 -6.104 -0.541 -5.298 1.00 0.00 O ATOM 526 CB LEU A 35 -2.896 -0.859 -5.024 1.00 0.00 C ATOM 527 CG LEU A 35 -1.576 -0.710 -4.201 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.443 -0.079 -5.048 1.00 0.00 C ATOM 529 CD2 LEU A 35 -1.825 0.055 -2.878 1.00 0.00 C ATOM 0 H LEU A 35 -2.953 -3.078 -3.894 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.361 -0.639 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.711 -1.544 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.142 0.109 -5.460 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.236 -1.709 -3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.459 0.009 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.239 -0.711 -5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.750 0.910 -5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.889 0.143 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.210 1.050 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.551 -0.489 -2.274 1.00 0.00 H new ATOM 541 N SER A 36 -5.523 -2.686 -5.739 1.00 0.00 N ATOM 542 CA SER A 36 -6.683 -3.011 -6.589 1.00 0.00 C ATOM 543 C SER A 36 -7.992 -2.996 -5.771 1.00 0.00 C ATOM 544 O SER A 36 -9.042 -2.579 -6.267 1.00 0.00 O ATOM 545 CB SER A 36 -6.472 -4.388 -7.266 1.00 0.00 C ATOM 546 OG SER A 36 -7.566 -4.746 -8.101 1.00 0.00 O ATOM 0 H SER A 36 -4.861 -3.456 -5.642 1.00 0.00 H new ATOM 0 HA SER A 36 -6.770 -2.249 -7.363 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.557 -4.364 -7.858 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.336 -5.151 -6.500 1.00 0.00 H new ATOM 0 HG SER A 36 -7.471 -5.680 -8.383 1.00 0.00 H new ATOM 552 N VAL A 37 -7.892 -3.445 -4.510 1.00 0.00 N ATOM 553 CA VAL A 37 -9.020 -3.479 -3.555 1.00 0.00 C ATOM 554 C VAL A 37 -9.208 -2.097 -2.881 1.00 0.00 C ATOM 555 O VAL A 37 -10.318 -1.746 -2.468 1.00 0.00 O ATOM 556 CB VAL A 37 -8.786 -4.623 -2.484 1.00 0.00 C ATOM 557 CG1 VAL A 37 -9.900 -4.673 -1.408 1.00 0.00 C ATOM 558 CG2 VAL A 37 -8.647 -5.997 -3.191 1.00 0.00 C ATOM 0 H VAL A 37 -7.020 -3.799 -4.117 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.939 -3.704 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.858 -4.389 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.688 -5.475 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.936 -3.722 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.861 -4.857 -1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.487 -6.775 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.558 -6.212 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.799 -5.970 -3.875 1.00 0.00 H new ATOM 568 N ALA A 38 -8.118 -1.309 -2.812 1.00 0.00 N ATOM 569 CA ALA A 38 -8.115 0.026 -2.172 1.00 0.00 C ATOM 570 C ALA A 38 -8.638 1.124 -3.126 1.00 0.00 C ATOM 571 O ALA A 38 -9.177 2.138 -2.668 1.00 0.00 O ATOM 572 CB ALA A 38 -6.701 0.370 -1.668 1.00 0.00 C ATOM 0 H ALA A 38 -7.213 -1.578 -3.198 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.796 -0.012 -1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.711 1.354 -1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.383 -0.376 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.007 0.376 -2.508 1.00 0.00 H new ATOM 578 N SER A 39 -8.475 0.915 -4.451 1.00 0.00 N ATOM 579 CA SER A 39 -8.875 1.898 -5.476 1.00 0.00 C ATOM 580 C SER A 39 -10.138 1.421 -6.219 1.00 0.00 C ATOM 581 O SER A 39 -11.148 2.135 -6.273 1.00 0.00 O ATOM 582 CB SER A 39 -7.706 2.131 -6.458 1.00 0.00 C ATOM 583 OG SER A 39 -7.386 0.952 -7.189 1.00 0.00 O ATOM 0 H SER A 39 -8.065 0.064 -4.836 1.00 0.00 H new ATOM 0 HA SER A 39 -9.114 2.844 -4.990 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.968 2.929 -7.152 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.828 2.465 -5.905 1.00 0.00 H new ATOM 0 HG SER A 39 -6.803 0.380 -6.648 1.00 0.00 H new ATOM 589 N GLY A 40 -10.066 0.201 -6.787 1.00 0.00 N ATOM 590 CA GLY A 40 -11.165 -0.384 -7.562 1.00 0.00 C ATOM 591 C GLY A 40 -10.702 -0.935 -8.904 1.00 0.00 C ATOM 592 O GLY A 40 -11.305 -1.879 -9.425 1.00 0.00 O ATOM 0 H GLY A 40 -9.245 -0.400 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.627 -1.184 -6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.931 0.373 -7.728 1.00 0.00 H new ATOM 596 N VAL A 41 -9.642 -0.330 -9.481 1.00 0.00 N ATOM 597 CA VAL A 41 -9.055 -0.779 -10.754 1.00 0.00 C ATOM 598 C VAL A 41 -8.141 -2.016 -10.531 1.00 0.00 C ATOM 599 O VAL A 41 -7.453 -2.085 -9.513 1.00 0.00 O ATOM 600 CB VAL A 41 -8.261 0.388 -11.460 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.213 1.538 -11.869 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.096 0.912 -10.582 1.00 0.00 C ATOM 0 H VAL A 41 -9.173 0.480 -9.076 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.871 -1.072 -11.415 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.818 -0.025 -12.366 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.641 2.329 -12.353 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.965 1.159 -12.561 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.704 1.937 -10.981 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.577 1.714 -11.107 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.492 1.292 -9.640 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.398 0.099 -10.381 1.00 0.00 H new ATOM 612 N PRO A 42 -8.150 -3.036 -11.464 1.00 0.00 N ATOM 613 CA PRO A 42 -7.324 -4.274 -11.328 1.00 0.00 C ATOM 614 C PRO A 42 -5.801 -4.001 -11.360 1.00 0.00 C ATOM 615 O PRO A 42 -5.362 -2.891 -11.691 1.00 0.00 O ATOM 616 CB PRO A 42 -7.776 -5.145 -12.537 1.00 0.00 C ATOM 617 CG PRO A 42 -8.328 -4.166 -13.527 1.00 0.00 C ATOM 618 CD PRO A 42 -8.980 -3.077 -12.702 1.00 0.00 C ATOM 0 HA PRO A 42 -7.477 -4.758 -10.363 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.940 -5.704 -12.957 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.529 -5.875 -12.240 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.538 -3.760 -14.159 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.051 -4.643 -14.188 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.972 -2.119 -13.223 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.021 -3.310 -12.480 1.00 0.00 H new ATOM 626 N LYS A 43 -5.011 -5.051 -11.043 1.00 0.00 N ATOM 627 CA LYS A 43 -3.527 -4.995 -11.007 1.00 0.00 C ATOM 628 C LYS A 43 -2.935 -4.692 -12.395 1.00 0.00 C ATOM 629 O LYS A 43 -1.795 -4.245 -12.506 1.00 0.00 O ATOM 630 CB LYS A 43 -2.945 -6.338 -10.509 1.00 0.00 C ATOM 631 CG LYS A 43 -3.457 -6.805 -9.131 1.00 0.00 C ATOM 632 CD LYS A 43 -2.800 -8.132 -8.677 1.00 0.00 C ATOM 633 CE LYS A 43 -3.113 -9.310 -9.611 1.00 0.00 C ATOM 634 NZ LYS A 43 -2.416 -10.550 -9.183 1.00 0.00 N ATOM 0 H LYS A 43 -5.385 -5.969 -10.803 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.257 -4.191 -10.322 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.174 -7.110 -11.244 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.859 -6.251 -10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.256 -6.031 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.539 -6.934 -9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.720 -7.996 -8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.141 -8.374 -7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.189 -9.485 -9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.814 -9.057 -10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.678 -11.332 -9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.387 -10.401 -9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.694 -10.786 -8.209 1.00 0.00 H new ATOM 648 N GLU A 44 -3.716 -4.977 -13.445 1.00 0.00 N ATOM 649 CA GLU A 44 -3.321 -4.710 -14.835 1.00 0.00 C ATOM 650 C GLU A 44 -3.292 -3.196 -15.115 1.00 0.00 C ATOM 651 O GLU A 44 -2.498 -2.719 -15.935 1.00 0.00 O ATOM 652 CB GLU A 44 -4.283 -5.446 -15.802 1.00 0.00 C ATOM 653 CG GLU A 44 -4.328 -6.976 -15.575 1.00 0.00 C ATOM 654 CD GLU A 44 -5.156 -7.728 -16.625 1.00 0.00 C ATOM 655 OE1 GLU A 44 -4.610 -8.069 -17.696 1.00 0.00 O ATOM 656 OE2 GLU A 44 -6.358 -7.975 -16.391 1.00 0.00 O ATOM 0 H GLU A 44 -4.640 -5.399 -13.355 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.312 -5.089 -14.997 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.287 -5.039 -15.684 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.977 -5.247 -16.829 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.310 -7.366 -15.580 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.741 -7.176 -14.587 1.00 0.00 H new ATOM 663 N GLU A 45 -4.148 -2.446 -14.392 1.00 0.00 N ATOM 664 CA GLU A 45 -4.205 -0.974 -14.474 1.00 0.00 C ATOM 665 C GLU A 45 -3.297 -0.332 -13.407 1.00 0.00 C ATOM 666 O GLU A 45 -3.314 0.890 -13.235 1.00 0.00 O ATOM 667 CB GLU A 45 -5.675 -0.489 -14.301 1.00 0.00 C ATOM 668 CG GLU A 45 -6.709 -1.242 -15.163 1.00 0.00 C ATOM 669 CD GLU A 45 -6.418 -1.202 -16.674 1.00 0.00 C ATOM 670 OE1 GLU A 45 -6.721 -0.183 -17.322 1.00 0.00 O ATOM 671 OE2 GLU A 45 -5.884 -2.191 -17.223 1.00 0.00 O ATOM 0 H GLU A 45 -4.819 -2.845 -13.735 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.844 -0.666 -15.455 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.955 -0.589 -13.252 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.724 0.572 -14.544 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.747 -2.282 -14.839 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.696 -0.815 -14.983 1.00 0.00 H new ATOM 678 N ILE A 46 -2.518 -1.169 -12.684 1.00 0.00 N ATOM 679 CA ILE A 46 -1.566 -0.725 -11.648 1.00 0.00 C ATOM 680 C ILE A 46 -0.182 -1.331 -11.952 1.00 0.00 C ATOM 681 O ILE A 46 0.070 -2.506 -11.660 1.00 0.00 O ATOM 682 CB ILE A 46 -2.029 -1.172 -10.204 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.476 -0.664 -9.896 1.00 0.00 C ATOM 684 CG2 ILE A 46 -1.020 -0.688 -9.125 1.00 0.00 C ATOM 685 CD1 ILE A 46 -4.090 -1.218 -8.627 1.00 0.00 C ATOM 0 H ILE A 46 -2.535 -2.181 -12.807 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.521 0.364 -11.664 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.049 -2.261 -10.177 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.457 0.424 -9.828 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.122 -0.920 -10.736 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.360 -1.007 -8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.038 -1.116 -9.327 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.954 0.400 -9.151 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.092 -0.809 -8.499 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.148 -2.304 -8.695 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.473 -0.940 -7.773 1.00 0.00 H new ATOM 697 N SER A 47 0.707 -0.545 -12.568 1.00 0.00 N ATOM 698 CA SER A 47 2.085 -0.980 -12.832 1.00 0.00 C ATOM 699 C SER A 47 3.016 -0.407 -11.748 1.00 0.00 C ATOM 700 O SER A 47 2.753 0.666 -11.187 1.00 0.00 O ATOM 701 CB SER A 47 2.513 -0.558 -14.252 1.00 0.00 C ATOM 702 OG SER A 47 2.367 0.831 -14.456 1.00 0.00 O ATOM 0 H SER A 47 0.497 0.398 -12.894 1.00 0.00 H new ATOM 0 HA SER A 47 2.149 -2.067 -12.789 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.552 -0.842 -14.417 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.915 -1.097 -14.987 1.00 0.00 H new ATOM 0 HG SER A 47 3.252 1.245 -14.531 1.00 0.00 H new ATOM 708 N ARG A 48 4.102 -1.143 -11.469 1.00 0.00 N ATOM 709 CA ARG A 48 5.031 -0.854 -10.353 1.00 0.00 C ATOM 710 C ARG A 48 5.802 0.467 -10.563 1.00 0.00 C ATOM 711 O ARG A 48 6.257 1.093 -9.602 1.00 0.00 O ATOM 712 CB ARG A 48 6.019 -2.044 -10.171 1.00 0.00 C ATOM 713 CG ARG A 48 7.124 -2.160 -11.249 1.00 0.00 C ATOM 714 CD ARG A 48 7.986 -3.433 -11.101 1.00 0.00 C ATOM 715 NE ARG A 48 8.363 -3.715 -9.702 1.00 0.00 N ATOM 716 CZ ARG A 48 9.364 -3.144 -9.010 1.00 0.00 C ATOM 717 NH1 ARG A 48 10.124 -2.197 -9.538 1.00 0.00 N ATOM 718 NH2 ARG A 48 9.580 -3.530 -7.764 1.00 0.00 N ATOM 0 H ARG A 48 4.367 -1.964 -12.013 1.00 0.00 H new ATOM 0 HA ARG A 48 4.437 -0.732 -9.447 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.495 -1.953 -9.195 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.446 -2.971 -10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.662 -2.155 -12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.769 -1.283 -11.194 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.438 -4.285 -11.502 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.890 -3.325 -11.700 1.00 0.00 H new ATOM 0 HE ARG A 48 7.807 -4.415 -9.210 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.957 -1.883 -10.494 1.00 0.00 H new ATOM 0 HH12 ARG A 48 10.877 -1.782 -8.989 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.992 -4.250 -7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.335 -3.108 -7.223 1.00 0.00 H new ATOM 732 N ASP A 49 5.934 0.874 -11.835 1.00 0.00 N ATOM 733 CA ASP A 49 6.725 2.055 -12.246 1.00 0.00 C ATOM 734 C ASP A 49 5.812 3.283 -12.490 1.00 0.00 C ATOM 735 O ASP A 49 6.291 4.368 -12.825 1.00 0.00 O ATOM 736 CB ASP A 49 7.546 1.670 -13.517 1.00 0.00 C ATOM 737 CG ASP A 49 8.502 2.768 -14.025 1.00 0.00 C ATOM 738 OD1 ASP A 49 9.433 3.143 -13.289 1.00 0.00 O ATOM 739 OD2 ASP A 49 8.329 3.255 -15.165 1.00 0.00 O ATOM 0 H ASP A 49 5.493 0.391 -12.618 1.00 0.00 H new ATOM 0 HA ASP A 49 7.411 2.344 -11.450 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.127 0.774 -13.300 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.852 1.413 -14.317 1.00 0.00 H new ATOM 744 N SER A 50 4.495 3.108 -12.276 1.00 0.00 N ATOM 745 CA SER A 50 3.485 4.150 -12.533 1.00 0.00 C ATOM 746 C SER A 50 3.363 5.134 -11.357 1.00 0.00 C ATOM 747 O SER A 50 3.924 4.908 -10.270 1.00 0.00 O ATOM 748 CB SER A 50 2.111 3.487 -12.777 1.00 0.00 C ATOM 749 OG SER A 50 1.171 4.402 -13.321 1.00 0.00 O ATOM 0 H SER A 50 4.101 2.238 -11.919 1.00 0.00 H new ATOM 0 HA SER A 50 3.804 4.709 -13.413 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.231 2.643 -13.456 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.728 3.089 -11.837 1.00 0.00 H new ATOM 0 HG SER A 50 0.315 3.946 -13.463 1.00 0.00 H new ATOM 755 N ARG A 51 2.613 6.223 -11.609 1.00 0.00 N ATOM 756 CA ARG A 51 2.119 7.116 -10.557 1.00 0.00 C ATOM 757 C ARG A 51 1.076 6.364 -9.703 1.00 0.00 C ATOM 758 O ARG A 51 0.335 5.502 -10.208 1.00 0.00 O ATOM 759 CB ARG A 51 1.467 8.394 -11.161 1.00 0.00 C ATOM 760 CG ARG A 51 2.384 9.249 -12.059 1.00 0.00 C ATOM 761 CD ARG A 51 3.585 9.832 -11.307 1.00 0.00 C ATOM 762 NE ARG A 51 4.369 10.717 -12.182 1.00 0.00 N ATOM 763 CZ ARG A 51 4.650 12.000 -11.938 1.00 0.00 C ATOM 764 NH1 ARG A 51 4.268 12.584 -10.804 1.00 0.00 N ATOM 765 NH2 ARG A 51 5.315 12.701 -12.837 1.00 0.00 N ATOM 0 H ARG A 51 2.335 6.504 -12.549 1.00 0.00 H new ATOM 0 HA ARG A 51 2.964 7.423 -9.941 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.595 8.095 -11.743 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.106 9.017 -10.343 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.743 8.639 -12.888 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.803 10.064 -12.491 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.239 10.388 -10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.217 9.024 -10.939 1.00 0.00 H new ATOM 0 HE ARG A 51 4.729 10.317 -13.049 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.752 12.051 -10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.492 13.565 -10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.610 12.263 -13.709 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.534 13.681 -12.659 1.00 0.00 H new ATOM 779 N MET A 52 1.028 6.703 -8.421 1.00 0.00 N ATOM 780 CA MET A 52 0.105 6.102 -7.469 1.00 0.00 C ATOM 781 C MET A 52 -1.055 7.064 -7.214 1.00 0.00 C ATOM 782 O MET A 52 -2.118 6.873 -7.790 1.00 0.00 O ATOM 783 CB MET A 52 0.847 5.738 -6.166 1.00 0.00 C ATOM 784 CG MET A 52 0.000 4.998 -5.160 1.00 0.00 C ATOM 785 SD MET A 52 0.963 4.247 -3.853 1.00 0.00 S ATOM 786 CE MET A 52 -0.293 3.194 -3.154 1.00 0.00 C ATOM 0 H MET A 52 1.636 7.411 -8.009 1.00 0.00 H new ATOM 0 HA MET A 52 -0.303 5.178 -7.879 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.715 5.127 -6.414 1.00 0.00 H new ATOM 0 HB3 MET A 52 1.222 6.653 -5.706 1.00 0.00 H new ATOM 0 HG2 MET A 52 -0.721 5.689 -4.722 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.571 4.224 -5.673 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.212 3.203 -2.067 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.278 3.558 -3.448 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.159 2.176 -3.519 1.00 0.00 H new ATOM 796 N GLU A 53 -0.792 8.103 -6.378 1.00 0.00 N ATOM 797 CA GLU A 53 -1.757 9.139 -5.941 1.00 0.00 C ATOM 798 C GLU A 53 -3.192 8.594 -5.679 1.00 0.00 C ATOM 799 O GLU A 53 -3.530 8.305 -4.546 1.00 0.00 O ATOM 800 CB GLU A 53 -1.749 10.353 -6.913 1.00 0.00 C ATOM 801 CG GLU A 53 -2.609 11.546 -6.438 1.00 0.00 C ATOM 802 CD GLU A 53 -2.407 12.840 -7.254 1.00 0.00 C ATOM 803 OE1 GLU A 53 -2.522 12.798 -8.498 1.00 0.00 O ATOM 804 OE2 GLU A 53 -2.162 13.907 -6.648 1.00 0.00 O ATOM 0 H GLU A 53 0.135 8.244 -5.976 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.413 9.487 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.721 10.690 -7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.108 10.026 -7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.660 11.262 -6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.380 11.750 -5.392 1.00 0.00 H new ATOM 811 N ASP A 54 -4.001 8.390 -6.744 1.00 0.00 N ATOM 812 CA ASP A 54 -5.400 7.904 -6.618 1.00 0.00 C ATOM 813 C ASP A 54 -5.485 6.542 -5.867 1.00 0.00 C ATOM 814 O ASP A 54 -6.471 6.274 -5.169 1.00 0.00 O ATOM 815 CB ASP A 54 -6.043 7.792 -8.023 1.00 0.00 C ATOM 816 CG ASP A 54 -7.532 7.376 -7.997 1.00 0.00 C ATOM 817 OD1 ASP A 54 -8.400 8.245 -7.780 1.00 0.00 O ATOM 818 OD2 ASP A 54 -7.836 6.179 -8.191 1.00 0.00 O ATOM 0 H ASP A 54 -3.709 8.555 -7.707 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.952 8.630 -6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.953 8.752 -8.531 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.483 7.066 -8.612 1.00 0.00 H new ATOM 823 N LEU A 55 -4.426 5.717 -5.990 1.00 0.00 N ATOM 824 CA LEU A 55 -4.350 4.387 -5.348 1.00 0.00 C ATOM 825 C LEU A 55 -4.184 4.484 -3.805 1.00 0.00 C ATOM 826 O LEU A 55 -4.541 3.533 -3.102 1.00 0.00 O ATOM 827 CB LEU A 55 -3.189 3.563 -5.958 1.00 0.00 C ATOM 828 CG LEU A 55 -3.200 3.383 -7.509 1.00 0.00 C ATOM 829 CD1 LEU A 55 -1.893 2.731 -8.007 1.00 0.00 C ATOM 830 CD2 LEU A 55 -4.434 2.582 -7.969 1.00 0.00 C ATOM 0 H LEU A 55 -3.598 5.953 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.296 3.882 -5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.249 4.038 -5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.196 2.574 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.264 4.375 -7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.932 2.619 -9.091 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.046 3.362 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.777 1.751 -7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.414 2.473 -9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.421 1.596 -7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.341 3.110 -7.674 1.00 0.00 H new ATOM 842 N ALA A 56 -3.610 5.621 -3.314 1.00 0.00 N ATOM 843 CA ALA A 56 -3.512 5.947 -1.864 1.00 0.00 C ATOM 844 C ALA A 56 -3.031 7.399 -1.661 1.00 0.00 C ATOM 845 O ALA A 56 -1.828 7.683 -1.737 1.00 0.00 O ATOM 846 CB ALA A 56 -2.599 4.968 -1.095 1.00 0.00 C ATOM 0 H ALA A 56 -3.202 6.337 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.516 5.842 -1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.564 5.253 -0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.994 3.956 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.593 5.003 -1.514 1.00 0.00 H new ATOM 852 N PHE A 57 -4.004 8.310 -1.454 1.00 0.00 N ATOM 853 CA PHE A 57 -3.757 9.742 -1.176 1.00 0.00 C ATOM 854 C PHE A 57 -5.104 10.335 -0.710 1.00 0.00 C ATOM 855 O PHE A 57 -5.569 11.374 -1.189 1.00 0.00 O ATOM 856 CB PHE A 57 -3.201 10.453 -2.459 1.00 0.00 C ATOM 857 CG PHE A 57 -2.427 11.761 -2.269 1.00 0.00 C ATOM 858 CD1 PHE A 57 -3.087 12.963 -2.015 1.00 0.00 C ATOM 859 CD2 PHE A 57 -1.034 11.791 -2.385 1.00 0.00 C ATOM 860 CE1 PHE A 57 -2.393 14.141 -1.879 1.00 0.00 C ATOM 861 CE2 PHE A 57 -0.336 12.975 -2.243 1.00 0.00 C ATOM 862 CZ PHE A 57 -1.019 14.150 -1.992 1.00 0.00 C ATOM 0 H PHE A 57 -4.995 8.070 -1.475 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.003 9.886 -0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.549 9.749 -2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -4.042 10.654 -3.122 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.163 12.968 -1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.496 10.877 -2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.924 15.061 -1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.741 12.982 -2.328 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.475 15.077 -1.884 1.00 0.00 H new ATOM 872 N ASP A 58 -5.717 9.630 0.243 1.00 0.00 N ATOM 873 CA ASP A 58 -7.081 9.896 0.725 1.00 0.00 C ATOM 874 C ASP A 58 -7.246 9.207 2.075 1.00 0.00 C ATOM 875 O ASP A 58 -6.885 8.040 2.188 1.00 0.00 O ATOM 876 CB ASP A 58 -8.135 9.360 -0.293 1.00 0.00 C ATOM 877 CG ASP A 58 -9.576 9.342 0.263 1.00 0.00 C ATOM 878 OD1 ASP A 58 -10.228 10.401 0.274 1.00 0.00 O ATOM 879 OD2 ASP A 58 -10.050 8.274 0.725 1.00 0.00 O ATOM 0 H ASP A 58 -5.273 8.841 0.713 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.239 10.969 0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.108 9.978 -1.191 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.857 8.350 -0.593 1.00 0.00 H new ATOM 884 N SER A 59 -7.832 9.923 3.055 1.00 0.00 N ATOM 885 CA SER A 59 -7.987 9.465 4.455 1.00 0.00 C ATOM 886 C SER A 59 -8.543 8.028 4.572 1.00 0.00 C ATOM 887 O SER A 59 -7.989 7.208 5.312 1.00 0.00 O ATOM 888 CB SER A 59 -8.895 10.462 5.221 1.00 0.00 C ATOM 889 OG SER A 59 -10.144 10.632 4.565 1.00 0.00 O ATOM 0 H SER A 59 -8.219 10.853 2.895 1.00 0.00 H new ATOM 0 HA SER A 59 -6.992 9.439 4.900 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.061 10.100 6.236 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.392 11.425 5.305 1.00 0.00 H new ATOM 0 HG SER A 59 -10.696 11.264 5.071 1.00 0.00 H new ATOM 895 N LEU A 60 -9.614 7.724 3.808 1.00 0.00 N ATOM 896 CA LEU A 60 -10.274 6.404 3.853 1.00 0.00 C ATOM 897 C LEU A 60 -9.374 5.320 3.224 1.00 0.00 C ATOM 898 O LEU A 60 -9.292 4.202 3.750 1.00 0.00 O ATOM 899 CB LEU A 60 -11.656 6.453 3.147 1.00 0.00 C ATOM 900 CG LEU A 60 -12.473 5.114 3.130 1.00 0.00 C ATOM 901 CD1 LEU A 60 -12.751 4.589 4.561 1.00 0.00 C ATOM 902 CD2 LEU A 60 -13.786 5.276 2.331 1.00 0.00 C ATOM 0 H LEU A 60 -10.040 8.378 3.151 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.438 6.143 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.262 7.218 3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.503 6.774 2.117 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.860 4.367 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.319 3.660 4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.805 4.405 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.324 5.331 5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.333 4.333 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.398 6.053 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.554 5.557 1.304 1.00 0.00 H new ATOM 914 N VAL A 61 -8.689 5.668 2.111 1.00 0.00 N ATOM 915 CA VAL A 61 -7.764 4.731 1.427 1.00 0.00 C ATOM 916 C VAL A 61 -6.533 4.436 2.313 1.00 0.00 C ATOM 917 O VAL A 61 -6.025 3.319 2.314 1.00 0.00 O ATOM 918 CB VAL A 61 -7.279 5.247 0.012 1.00 0.00 C ATOM 919 CG1 VAL A 61 -6.437 4.162 -0.699 1.00 0.00 C ATOM 920 CG2 VAL A 61 -8.470 5.662 -0.878 1.00 0.00 C ATOM 0 H VAL A 61 -8.757 6.584 1.668 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.335 3.818 1.260 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.659 6.128 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.111 4.533 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.565 3.922 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.041 3.265 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.100 6.011 -1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.126 4.805 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.026 6.463 -0.391 1.00 0.00 H new ATOM 930 N VAL A 62 -6.088 5.451 3.073 1.00 0.00 N ATOM 931 CA VAL A 62 -4.936 5.349 3.992 1.00 0.00 C ATOM 932 C VAL A 62 -5.287 4.448 5.184 1.00 0.00 C ATOM 933 O VAL A 62 -4.454 3.663 5.635 1.00 0.00 O ATOM 934 CB VAL A 62 -4.482 6.782 4.482 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.405 6.721 5.596 1.00 0.00 C ATOM 936 CG2 VAL A 62 -3.979 7.620 3.283 1.00 0.00 C ATOM 0 H VAL A 62 -6.520 6.375 3.068 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.101 4.899 3.455 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.356 7.264 4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.131 7.733 5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.803 6.185 6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.523 6.202 5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.669 8.605 3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.132 7.117 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.781 7.730 2.554 1.00 0.00 H new ATOM 946 N SER A 63 -6.534 4.574 5.674 1.00 0.00 N ATOM 947 CA SER A 63 -7.071 3.726 6.748 1.00 0.00 C ATOM 948 C SER A 63 -7.158 2.261 6.273 1.00 0.00 C ATOM 949 O SER A 63 -6.742 1.344 6.982 1.00 0.00 O ATOM 950 CB SER A 63 -8.459 4.253 7.190 1.00 0.00 C ATOM 951 OG SER A 63 -8.369 5.583 7.678 1.00 0.00 O ATOM 0 H SER A 63 -7.198 5.270 5.333 1.00 0.00 H new ATOM 0 HA SER A 63 -6.401 3.763 7.607 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.150 4.217 6.348 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.868 3.605 7.965 1.00 0.00 H new ATOM 0 HG SER A 63 -8.221 6.197 6.929 1.00 0.00 H new ATOM 957 N GLU A 64 -7.663 2.082 5.039 1.00 0.00 N ATOM 958 CA GLU A 64 -7.851 0.765 4.401 1.00 0.00 C ATOM 959 C GLU A 64 -6.492 0.073 4.160 1.00 0.00 C ATOM 960 O GLU A 64 -6.323 -1.113 4.462 1.00 0.00 O ATOM 961 CB GLU A 64 -8.613 0.954 3.054 1.00 0.00 C ATOM 962 CG GLU A 64 -9.040 -0.351 2.340 1.00 0.00 C ATOM 963 CD GLU A 64 -10.015 -1.211 3.169 1.00 0.00 C ATOM 964 OE1 GLU A 64 -11.057 -0.681 3.614 1.00 0.00 O ATOM 965 OE2 GLU A 64 -9.760 -2.419 3.363 1.00 0.00 O ATOM 0 H GLU A 64 -7.957 2.860 4.448 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.436 0.127 5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.504 1.553 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.981 1.528 2.377 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.508 -0.099 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.151 -0.940 2.112 1.00 0.00 H new ATOM 972 N LEU A 65 -5.534 0.860 3.646 1.00 0.00 N ATOM 973 CA LEU A 65 -4.182 0.391 3.294 1.00 0.00 C ATOM 974 C LEU A 65 -3.389 0.043 4.562 1.00 0.00 C ATOM 975 O LEU A 65 -2.665 -0.947 4.584 1.00 0.00 O ATOM 976 CB LEU A 65 -3.448 1.471 2.446 1.00 0.00 C ATOM 977 CG LEU A 65 -1.998 1.131 1.955 1.00 0.00 C ATOM 978 CD1 LEU A 65 -1.945 -0.195 1.163 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.416 2.292 1.116 1.00 0.00 C ATOM 0 H LEU A 65 -5.677 1.853 3.460 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.263 -0.515 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.060 1.686 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.400 2.387 3.034 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.382 0.999 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.921 -0.388 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.287 -1.012 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.590 -0.122 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.410 2.034 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.050 2.466 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.378 3.196 1.723 1.00 0.00 H new ATOM 991 N SER A 66 -3.567 0.860 5.623 1.00 0.00 N ATOM 992 CA SER A 66 -2.934 0.637 6.937 1.00 0.00 C ATOM 993 C SER A 66 -3.386 -0.701 7.536 1.00 0.00 C ATOM 994 O SER A 66 -2.584 -1.404 8.148 1.00 0.00 O ATOM 995 CB SER A 66 -3.266 1.785 7.913 1.00 0.00 C ATOM 996 OG SER A 66 -2.609 1.612 9.155 1.00 0.00 O ATOM 0 H SER A 66 -4.155 1.693 5.590 1.00 0.00 H new ATOM 0 HA SER A 66 -1.855 0.611 6.785 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.970 2.737 7.472 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.343 1.829 8.072 1.00 0.00 H new ATOM 0 HG SER A 66 -1.909 2.291 9.252 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.681 -1.029 7.345 1.00 0.00 N ATOM 1003 CA LEU A 67 -5.259 -2.316 7.769 1.00 0.00 C ATOM 1004 C LEU A 67 -4.602 -3.482 7.009 1.00 0.00 C ATOM 1005 O LEU A 67 -4.159 -4.446 7.616 1.00 0.00 O ATOM 1006 CB LEU A 67 -6.799 -2.331 7.556 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.626 -1.352 8.448 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -9.127 -1.387 8.079 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -7.404 -1.637 9.954 1.00 0.00 C ATOM 0 H LEU A 67 -5.352 -0.408 6.893 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.060 -2.439 8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.003 -2.098 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.160 -3.344 7.733 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.265 -0.342 8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.675 -0.695 8.718 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.252 -1.095 7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.513 -2.396 8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.994 -0.938 10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.714 -2.657 10.181 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.348 -1.516 10.195 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.514 -3.354 5.679 1.00 0.00 N ATOM 1022 CA LYS A 68 -3.943 -4.396 4.806 1.00 0.00 C ATOM 1023 C LYS A 68 -2.478 -4.694 5.179 1.00 0.00 C ATOM 1024 O LYS A 68 -2.104 -5.845 5.360 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.050 -3.976 3.321 1.00 0.00 C ATOM 1026 CG LYS A 68 -5.495 -3.786 2.806 1.00 0.00 C ATOM 1027 CD LYS A 68 -6.340 -5.073 2.922 1.00 0.00 C ATOM 1028 CE LYS A 68 -7.764 -4.900 2.374 1.00 0.00 C ATOM 1029 NZ LYS A 68 -8.582 -6.123 2.578 1.00 0.00 N ATOM 0 H LYS A 68 -4.835 -2.527 5.175 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.519 -5.310 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.503 -3.043 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.556 -4.730 2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.976 -2.988 3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.467 -3.467 1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.843 -5.879 2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.392 -5.375 3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.244 -4.055 2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.719 -4.665 1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.537 -5.970 2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.137 -6.924 2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.646 -6.333 3.595 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.681 -3.627 5.341 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.257 -3.723 5.718 1.00 0.00 C ATOM 1045 C LEU A 69 -0.091 -4.252 7.165 1.00 0.00 C ATOM 1046 O LEU A 69 0.907 -4.897 7.471 1.00 0.00 O ATOM 1047 CB LEU A 69 0.437 -2.343 5.574 1.00 0.00 C ATOM 1048 CG LEU A 69 0.421 -1.673 4.159 1.00 0.00 C ATOM 1049 CD1 LEU A 69 1.088 -0.275 4.196 1.00 0.00 C ATOM 1050 CD2 LEU A 69 1.072 -2.573 3.084 1.00 0.00 C ATOM 0 H LEU A 69 -2.005 -2.668 5.214 1.00 0.00 H new ATOM 0 HA LEU A 69 0.218 -4.433 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.032 -1.655 6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.477 -2.455 5.882 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.624 -1.542 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.063 0.167 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.548 0.367 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.123 -0.374 4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.039 -2.069 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.109 -2.771 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.528 -3.515 3.020 1.00 0.00 H new ATOM 1062 N ARG A 70 -1.084 -3.963 8.032 1.00 0.00 N ATOM 1063 CA ARG A 70 -1.097 -4.383 9.456 1.00 0.00 C ATOM 1064 C ARG A 70 -1.217 -5.913 9.582 1.00 0.00 C ATOM 1065 O ARG A 70 -0.417 -6.556 10.263 1.00 0.00 O ATOM 1066 CB ARG A 70 -2.284 -3.701 10.193 1.00 0.00 C ATOM 1067 CG ARG A 70 -2.452 -4.058 11.689 1.00 0.00 C ATOM 1068 CD ARG A 70 -3.700 -3.401 12.306 1.00 0.00 C ATOM 1069 NE ARG A 70 -3.711 -1.940 12.110 1.00 0.00 N ATOM 1070 CZ ARG A 70 -4.702 -1.113 12.475 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -5.779 -1.568 13.120 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -4.596 0.176 12.209 1.00 0.00 N ATOM 0 H ARG A 70 -1.909 -3.426 7.764 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.156 -4.075 9.912 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.165 -2.621 10.109 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.206 -3.961 9.673 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.522 -5.140 11.797 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.566 -3.740 12.239 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.595 -3.833 11.859 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.737 -3.624 13.372 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.897 -1.523 11.659 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.858 -2.560 13.343 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.522 -0.923 13.389 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.768 0.532 11.731 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.342 0.816 12.481 1.00 0.00 H new ATOM 1086 N LYS A 71 -2.243 -6.475 8.918 1.00 0.00 N ATOM 1087 CA LYS A 71 -2.544 -7.919 8.977 1.00 0.00 C ATOM 1088 C LYS A 71 -1.495 -8.724 8.182 1.00 0.00 C ATOM 1089 O LYS A 71 -1.040 -9.777 8.637 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.983 -8.223 8.435 1.00 0.00 C ATOM 1091 CG LYS A 71 -5.165 -7.868 9.388 1.00 0.00 C ATOM 1092 CD LYS A 71 -5.321 -6.356 9.680 1.00 0.00 C ATOM 1093 CE LYS A 71 -6.652 -5.987 10.358 1.00 0.00 C ATOM 1094 NZ LYS A 71 -6.859 -6.689 11.643 1.00 0.00 N ATOM 0 H LYS A 71 -2.885 -5.945 8.328 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.504 -8.224 10.023 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.120 -7.678 7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.042 -9.285 8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.092 -8.238 8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.025 -8.395 10.332 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.498 -6.032 10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.236 -5.804 8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.680 -4.911 10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.475 -6.224 9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.770 -6.401 12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.861 -7.716 11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.091 -6.444 12.300 1.00 0.00 H new ATOM 1108 N GLU A 72 -1.116 -8.196 7.004 1.00 0.00 N ATOM 1109 CA GLU A 72 -0.277 -8.917 6.024 1.00 0.00 C ATOM 1110 C GLU A 72 1.222 -8.829 6.366 1.00 0.00 C ATOM 1111 O GLU A 72 1.906 -9.849 6.480 1.00 0.00 O ATOM 1112 CB GLU A 72 -0.523 -8.343 4.598 1.00 0.00 C ATOM 1113 CG GLU A 72 0.132 -9.144 3.456 1.00 0.00 C ATOM 1114 CD GLU A 72 -0.409 -10.574 3.360 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -1.624 -10.739 3.117 1.00 0.00 O ATOM 1116 OE2 GLU A 72 0.357 -11.538 3.543 1.00 0.00 O ATOM 0 H GLU A 72 -1.381 -7.258 6.703 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.562 -9.968 6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.598 -8.297 4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.150 -7.319 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.039 -8.630 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.210 -9.176 3.611 1.00 0.00 H new ATOM 1123 N PHE A 73 1.724 -7.595 6.536 1.00 0.00 N ATOM 1124 CA PHE A 73 3.174 -7.323 6.688 1.00 0.00 C ATOM 1125 C PHE A 73 3.544 -6.944 8.138 1.00 0.00 C ATOM 1126 O PHE A 73 4.725 -6.935 8.492 1.00 0.00 O ATOM 1127 CB PHE A 73 3.594 -6.184 5.716 1.00 0.00 C ATOM 1128 CG PHE A 73 3.352 -6.492 4.230 1.00 0.00 C ATOM 1129 CD1 PHE A 73 4.180 -7.376 3.540 1.00 0.00 C ATOM 1130 CD2 PHE A 73 2.293 -5.904 3.530 1.00 0.00 C ATOM 1131 CE1 PHE A 73 3.966 -7.658 2.201 1.00 0.00 C ATOM 1132 CE2 PHE A 73 2.081 -6.186 2.188 1.00 0.00 C ATOM 1133 CZ PHE A 73 2.917 -7.063 1.524 1.00 0.00 C ATOM 0 H PHE A 73 1.144 -6.757 6.573 1.00 0.00 H new ATOM 0 HA PHE A 73 3.713 -8.238 6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.048 -5.279 5.980 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.653 -5.971 5.862 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.002 -7.849 4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.631 -5.221 4.041 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.620 -8.344 1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.261 -5.719 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.752 -7.283 0.480 1.00 0.00 H new ATOM 1143 N GLY A 74 2.527 -6.613 8.960 1.00 0.00 N ATOM 1144 CA GLY A 74 2.736 -6.092 10.323 1.00 0.00 C ATOM 1145 C GLY A 74 2.979 -4.579 10.352 1.00 0.00 C ATOM 1146 O GLY A 74 3.036 -3.980 11.434 1.00 0.00 O ATOM 0 H GLY A 74 1.545 -6.699 8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.864 -6.327 10.934 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.588 -6.601 10.774 1.00 0.00 H new ATOM 1150 N VAL A 75 3.097 -3.966 9.155 1.00 0.00 N ATOM 1151 CA VAL A 75 3.446 -2.543 8.986 1.00 0.00 C ATOM 1152 C VAL A 75 2.181 -1.661 9.195 1.00 0.00 C ATOM 1153 O VAL A 75 1.511 -1.256 8.245 1.00 0.00 O ATOM 1154 CB VAL A 75 4.099 -2.310 7.554 1.00 0.00 C ATOM 1155 CG1 VAL A 75 4.565 -0.855 7.352 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.274 -3.296 7.313 1.00 0.00 C ATOM 0 H VAL A 75 2.951 -4.452 8.270 1.00 0.00 H new ATOM 0 HA VAL A 75 4.182 -2.253 9.736 1.00 0.00 H new ATOM 0 HB VAL A 75 3.320 -2.505 6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.003 -0.748 6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.712 -0.183 7.446 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.310 -0.603 8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.703 -3.116 6.327 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.038 -3.144 8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.906 -4.321 7.367 1.00 0.00 H new ATOM 1166 N THR A 76 1.833 -1.418 10.471 1.00 0.00 N ATOM 1167 CA THR A 76 0.600 -0.691 10.853 1.00 0.00 C ATOM 1168 C THR A 76 0.863 0.823 10.989 1.00 0.00 C ATOM 1169 O THR A 76 2.011 1.244 11.148 1.00 0.00 O ATOM 1170 CB THR A 76 0.005 -1.262 12.185 1.00 0.00 C ATOM 1171 OG1 THR A 76 -1.218 -0.585 12.506 1.00 0.00 O ATOM 1172 CG2 THR A 76 0.981 -1.155 13.374 1.00 0.00 C ATOM 0 H THR A 76 2.394 -1.718 11.268 1.00 0.00 H new ATOM 0 HA THR A 76 -0.129 -0.839 10.056 1.00 0.00 H new ATOM 0 HB THR A 76 -0.182 -2.322 12.016 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.584 -0.949 13.339 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.512 -1.567 14.268 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.889 -1.714 13.150 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.232 -0.108 13.545 1.00 0.00 H new ATOM 1180 N GLY A 77 -0.221 1.623 10.933 1.00 0.00 N ATOM 1181 CA GLY A 77 -0.134 3.082 11.020 1.00 0.00 C ATOM 1182 C GLY A 77 0.306 3.689 9.698 1.00 0.00 C ATOM 1183 O GLY A 77 -0.449 3.642 8.720 1.00 0.00 O ATOM 0 H GLY A 77 -1.173 1.272 10.827 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.104 3.490 11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.571 3.360 11.803 1.00 0.00 H new ATOM 1187 N VAL A 78 1.541 4.238 9.684 1.00 0.00 N ATOM 1188 CA VAL A 78 2.236 4.757 8.475 1.00 0.00 C ATOM 1189 C VAL A 78 1.401 5.873 7.785 1.00 0.00 C ATOM 1190 O VAL A 78 1.575 6.165 6.604 1.00 0.00 O ATOM 1191 CB VAL A 78 2.584 3.579 7.464 1.00 0.00 C ATOM 1192 CG1 VAL A 78 3.647 3.990 6.422 1.00 0.00 C ATOM 1193 CG2 VAL A 78 3.036 2.305 8.213 1.00 0.00 C ATOM 0 H VAL A 78 2.100 4.337 10.532 1.00 0.00 H new ATOM 0 HA VAL A 78 3.178 5.203 8.795 1.00 0.00 H new ATOM 0 HB VAL A 78 1.662 3.359 6.925 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.848 3.150 5.757 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.278 4.834 5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.566 4.276 6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.266 1.521 7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.925 2.526 8.804 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.237 1.968 8.873 1.00 0.00 H new ATOM 1203 N ASP A 79 0.570 6.545 8.597 1.00 0.00 N ATOM 1204 CA ASP A 79 -0.523 7.440 8.151 1.00 0.00 C ATOM 1205 C ASP A 79 -0.057 8.497 7.132 1.00 0.00 C ATOM 1206 O ASP A 79 -0.575 8.559 6.002 1.00 0.00 O ATOM 1207 CB ASP A 79 -1.159 8.149 9.379 1.00 0.00 C ATOM 1208 CG ASP A 79 -1.697 7.177 10.444 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -0.891 6.651 11.243 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -2.923 6.929 10.490 1.00 0.00 O ATOM 0 H ASP A 79 0.637 6.483 9.613 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.259 6.812 7.650 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.415 8.800 9.837 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.974 8.787 9.037 1.00 0.00 H new ATOM 1215 N ASP A 80 0.936 9.300 7.550 1.00 0.00 N ATOM 1216 CA ASP A 80 1.479 10.415 6.751 1.00 0.00 C ATOM 1217 C ASP A 80 2.052 9.908 5.426 1.00 0.00 C ATOM 1218 O ASP A 80 1.783 10.480 4.373 1.00 0.00 O ATOM 1219 CB ASP A 80 2.584 11.171 7.546 1.00 0.00 C ATOM 1220 CG ASP A 80 2.055 11.852 8.821 1.00 0.00 C ATOM 1221 OD1 ASP A 80 1.650 11.137 9.762 1.00 0.00 O ATOM 1222 OD2 ASP A 80 2.062 13.104 8.899 1.00 0.00 O ATOM 0 H ASP A 80 1.389 9.194 8.458 1.00 0.00 H new ATOM 0 HA ASP A 80 0.661 11.103 6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.372 10.469 7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.036 11.924 6.901 1.00 0.00 H new ATOM 1227 N GLU A 81 2.793 8.793 5.492 1.00 0.00 N ATOM 1228 CA GLU A 81 3.527 8.249 4.340 1.00 0.00 C ATOM 1229 C GLU A 81 2.558 7.680 3.282 1.00 0.00 C ATOM 1230 O GLU A 81 2.737 7.899 2.083 1.00 0.00 O ATOM 1231 CB GLU A 81 4.509 7.165 4.823 1.00 0.00 C ATOM 1232 CG GLU A 81 5.602 7.668 5.791 1.00 0.00 C ATOM 1233 CD GLU A 81 6.426 6.523 6.394 1.00 0.00 C ATOM 1234 OE1 GLU A 81 7.288 5.953 5.687 1.00 0.00 O ATOM 1235 OE2 GLU A 81 6.187 6.151 7.563 1.00 0.00 O ATOM 0 H GLU A 81 2.901 8.243 6.344 1.00 0.00 H new ATOM 0 HA GLU A 81 4.089 9.055 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.943 6.375 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.991 6.717 3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.267 8.349 5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.136 8.238 6.595 1.00 0.00 H new ATOM 1242 N LEU A 82 1.510 6.988 3.752 1.00 0.00 N ATOM 1243 CA LEU A 82 0.490 6.380 2.874 1.00 0.00 C ATOM 1244 C LEU A 82 -0.381 7.458 2.204 1.00 0.00 C ATOM 1245 O LEU A 82 -0.960 7.234 1.136 1.00 0.00 O ATOM 1246 CB LEU A 82 -0.393 5.385 3.668 1.00 0.00 C ATOM 1247 CG LEU A 82 0.356 4.198 4.353 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -0.635 3.241 5.054 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.280 3.448 3.356 1.00 0.00 C ATOM 0 H LEU A 82 1.343 6.832 4.746 1.00 0.00 H new ATOM 0 HA LEU A 82 1.010 5.831 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.930 5.941 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.141 4.973 2.990 1.00 0.00 H new ATOM 0 HG LEU A 82 1.002 4.619 5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.084 2.425 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.191 3.787 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.330 2.835 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.783 2.630 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.683 3.048 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.024 4.139 2.959 1.00 0.00 H new ATOM 1261 N ASP A 83 -0.468 8.625 2.858 1.00 0.00 N ATOM 1262 CA ASP A 83 -1.210 9.788 2.339 1.00 0.00 C ATOM 1263 C ASP A 83 -0.310 10.673 1.453 1.00 0.00 C ATOM 1264 O ASP A 83 -0.809 11.514 0.709 1.00 0.00 O ATOM 1265 CB ASP A 83 -1.788 10.601 3.531 1.00 0.00 C ATOM 1266 CG ASP A 83 -2.818 11.665 3.114 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -3.950 11.290 2.742 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -2.494 12.874 3.139 1.00 0.00 O ATOM 0 H ASP A 83 -0.027 8.792 3.762 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.030 9.435 1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.255 9.913 4.236 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.968 11.089 4.058 1.00 0.00 H new ATOM 1273 N LEU A 84 1.020 10.482 1.559 1.00 0.00 N ATOM 1274 CA LEU A 84 2.033 11.277 0.812 1.00 0.00 C ATOM 1275 C LEU A 84 2.519 10.484 -0.437 1.00 0.00 C ATOM 1276 O LEU A 84 3.467 10.890 -1.097 1.00 0.00 O ATOM 1277 CB LEU A 84 3.219 11.628 1.800 1.00 0.00 C ATOM 1278 CG LEU A 84 3.943 13.027 1.661 1.00 0.00 C ATOM 1279 CD1 LEU A 84 4.936 13.085 0.484 1.00 0.00 C ATOM 1280 CD2 LEU A 84 2.913 14.174 1.576 1.00 0.00 C ATOM 0 H LEU A 84 1.430 9.771 2.165 1.00 0.00 H new ATOM 0 HA LEU A 84 1.601 12.208 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.832 11.557 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.978 10.853 1.692 1.00 0.00 H new ATOM 0 HG LEU A 84 4.538 13.156 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.398 14.072 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.708 12.328 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.405 12.896 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.435 15.126 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.272 14.024 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.303 14.183 2.480 1.00 0.00 H new ATOM 1292 N LEU A 85 1.839 9.368 -0.769 1.00 0.00 N ATOM 1293 CA LEU A 85 2.268 8.448 -1.842 1.00 0.00 C ATOM 1294 C LEU A 85 2.130 9.061 -3.255 1.00 0.00 C ATOM 1295 O LEU A 85 1.023 9.360 -3.730 1.00 0.00 O ATOM 1296 CB LEU A 85 1.526 7.093 -1.724 1.00 0.00 C ATOM 1297 CG LEU A 85 2.147 6.118 -0.679 1.00 0.00 C ATOM 1298 CD1 LEU A 85 1.249 4.899 -0.428 1.00 0.00 C ATOM 1299 CD2 LEU A 85 3.568 5.686 -1.121 1.00 0.00 C ATOM 0 H LEU A 85 0.979 9.080 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 85 3.334 8.268 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.486 7.282 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.520 6.608 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 85 2.227 6.653 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.720 4.246 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.282 5.231 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.107 4.353 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.988 5.005 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.512 5.183 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.205 6.566 -1.208 1.00 0.00 H new ATOM 1311 N GLU A 86 3.296 9.233 -3.902 1.00 0.00 N ATOM 1312 CA GLU A 86 3.426 9.820 -5.237 1.00 0.00 C ATOM 1313 C GLU A 86 3.370 8.719 -6.304 1.00 0.00 C ATOM 1314 O GLU A 86 2.576 8.812 -7.241 1.00 0.00 O ATOM 1315 CB GLU A 86 4.765 10.589 -5.357 1.00 0.00 C ATOM 1316 CG GLU A 86 4.994 11.287 -6.720 1.00 0.00 C ATOM 1317 CD GLU A 86 6.421 11.824 -6.884 1.00 0.00 C ATOM 1318 OE1 GLU A 86 6.718 12.926 -6.384 1.00 0.00 O ATOM 1319 OE2 GLU A 86 7.263 11.132 -7.489 1.00 0.00 O ATOM 0 H GLU A 86 4.192 8.960 -3.498 1.00 0.00 H new ATOM 0 HA GLU A 86 2.600 10.515 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.808 11.340 -4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.585 9.893 -5.179 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.782 10.582 -7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.287 12.110 -6.824 1.00 0.00 H new ATOM 1326 N THR A 87 4.241 7.685 -6.154 1.00 0.00 N ATOM 1327 CA THR A 87 4.363 6.559 -7.119 1.00 0.00 C ATOM 1328 C THR A 87 4.231 5.205 -6.396 1.00 0.00 C ATOM 1329 O THR A 87 4.420 5.116 -5.167 1.00 0.00 O ATOM 1330 CB THR A 87 5.724 6.598 -7.900 1.00 0.00 C ATOM 1331 OG1 THR A 87 6.823 6.467 -6.983 1.00 0.00 O ATOM 1332 CG2 THR A 87 5.889 7.896 -8.714 1.00 0.00 C ATOM 0 H THR A 87 4.878 7.609 -5.361 1.00 0.00 H new ATOM 0 HA THR A 87 3.552 6.672 -7.838 1.00 0.00 H new ATOM 0 HB THR A 87 5.719 5.762 -8.599 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.668 6.491 -7.479 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.845 7.878 -9.237 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.079 7.976 -9.440 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.859 8.753 -8.042 1.00 0.00 H new ATOM 1340 N VAL A 88 3.874 4.157 -7.169 1.00 0.00 N ATOM 1341 CA VAL A 88 3.771 2.778 -6.650 1.00 0.00 C ATOM 1342 C VAL A 88 5.171 2.282 -6.240 1.00 0.00 C ATOM 1343 O VAL A 88 5.326 1.614 -5.216 1.00 0.00 O ATOM 1344 CB VAL A 88 3.132 1.798 -7.709 1.00 0.00 C ATOM 1345 CG1 VAL A 88 2.919 0.376 -7.127 1.00 0.00 C ATOM 1346 CG2 VAL A 88 1.806 2.365 -8.260 1.00 0.00 C ATOM 0 H VAL A 88 3.651 4.242 -8.161 1.00 0.00 H new ATOM 0 HA VAL A 88 3.113 2.789 -5.781 1.00 0.00 H new ATOM 0 HB VAL A 88 3.839 1.712 -8.534 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.477 -0.266 -7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.878 -0.037 -6.816 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.251 0.431 -6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.387 1.670 -8.988 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.100 2.501 -7.441 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.993 3.325 -8.741 1.00 0.00 H new ATOM 1356 N ASP A 89 6.182 2.661 -7.056 1.00 0.00 N ATOM 1357 CA ASP A 89 7.615 2.404 -6.785 1.00 0.00 C ATOM 1358 C ASP A 89 8.047 2.986 -5.423 1.00 0.00 C ATOM 1359 O ASP A 89 8.907 2.413 -4.737 1.00 0.00 O ATOM 1360 CB ASP A 89 8.471 3.015 -7.924 1.00 0.00 C ATOM 1361 CG ASP A 89 9.978 2.702 -7.799 1.00 0.00 C ATOM 1362 OD1 ASP A 89 10.375 1.565 -8.110 1.00 0.00 O ATOM 1363 OD2 ASP A 89 10.764 3.577 -7.385 1.00 0.00 O ATOM 0 H ASP A 89 6.023 3.160 -7.931 1.00 0.00 H new ATOM 0 HA ASP A 89 7.770 1.326 -6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.108 2.640 -8.881 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.332 4.096 -7.932 1.00 0.00 H new ATOM 1368 N GLU A 90 7.444 4.137 -5.048 1.00 0.00 N ATOM 1369 CA GLU A 90 7.682 4.768 -3.739 1.00 0.00 C ATOM 1370 C GLU A 90 7.116 3.890 -2.615 1.00 0.00 C ATOM 1371 O GLU A 90 7.769 3.741 -1.589 1.00 0.00 O ATOM 1372 CB GLU A 90 7.084 6.197 -3.681 1.00 0.00 C ATOM 1373 CG GLU A 90 7.384 6.962 -2.368 1.00 0.00 C ATOM 1374 CD GLU A 90 6.861 8.401 -2.381 1.00 0.00 C ATOM 1375 OE1 GLU A 90 5.664 8.610 -2.117 1.00 0.00 O ATOM 1376 OE2 GLU A 90 7.646 9.332 -2.674 1.00 0.00 O ATOM 0 H GLU A 90 6.787 4.646 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 90 8.759 4.861 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.471 6.774 -4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.004 6.131 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.936 6.426 -1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.461 6.974 -2.199 1.00 0.00 H new ATOM 1383 N LEU A 91 5.914 3.296 -2.836 1.00 0.00 N ATOM 1384 CA LEU A 91 5.296 2.357 -1.862 1.00 0.00 C ATOM 1385 C LEU A 91 6.152 1.078 -1.686 1.00 0.00 C ATOM 1386 O LEU A 91 6.214 0.521 -0.585 1.00 0.00 O ATOM 1387 CB LEU A 91 3.844 1.975 -2.257 1.00 0.00 C ATOM 1388 CG LEU A 91 3.119 0.994 -1.266 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.943 1.610 0.149 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.778 0.508 -1.834 1.00 0.00 C ATOM 0 H LEU A 91 5.356 3.450 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 91 5.257 2.885 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.254 2.888 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.861 1.519 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 91 3.767 0.125 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.437 0.894 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.921 1.849 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.347 2.520 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.305 -0.168 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.126 1.364 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.950 -0.017 -2.774 1.00 0.00 H new ATOM 1402 N PHE A 92 6.802 0.629 -2.775 1.00 0.00 N ATOM 1403 CA PHE A 92 7.751 -0.505 -2.731 1.00 0.00 C ATOM 1404 C PHE A 92 8.912 -0.203 -1.782 1.00 0.00 C ATOM 1405 O PHE A 92 9.188 -0.977 -0.864 1.00 0.00 O ATOM 1406 CB PHE A 92 8.287 -0.850 -4.151 1.00 0.00 C ATOM 1407 CG PHE A 92 7.322 -1.694 -4.962 1.00 0.00 C ATOM 1408 CD1 PHE A 92 7.230 -3.063 -4.725 1.00 0.00 C ATOM 1409 CD2 PHE A 92 6.505 -1.139 -5.941 1.00 0.00 C ATOM 1410 CE1 PHE A 92 6.349 -3.837 -5.435 1.00 0.00 C ATOM 1411 CE2 PHE A 92 5.628 -1.919 -6.652 1.00 0.00 C ATOM 1412 CZ PHE A 92 5.549 -3.267 -6.405 1.00 0.00 C ATOM 0 H PHE A 92 6.688 1.036 -3.703 1.00 0.00 H new ATOM 0 HA PHE A 92 7.211 -1.374 -2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 92 8.493 0.075 -4.690 1.00 0.00 H new ATOM 0 HB3 PHE A 92 9.234 -1.381 -4.056 1.00 0.00 H new ATOM 0 HD1 PHE A 92 7.859 -3.519 -3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 92 6.562 -0.080 -6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.281 -4.896 -5.235 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.999 -1.472 -7.407 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.862 -3.881 -6.969 1.00 0.00 H new ATOM 1422 N GLN A 93 9.555 0.955 -1.998 1.00 0.00 N ATOM 1423 CA GLN A 93 10.675 1.411 -1.161 1.00 0.00 C ATOM 1424 C GLN A 93 10.202 1.855 0.233 1.00 0.00 C ATOM 1425 O GLN A 93 11.011 1.941 1.137 1.00 0.00 O ATOM 1426 CB GLN A 93 11.454 2.549 -1.856 1.00 0.00 C ATOM 1427 CG GLN A 93 12.168 2.127 -3.159 1.00 0.00 C ATOM 1428 CD GLN A 93 13.154 3.176 -3.691 1.00 0.00 C ATOM 1429 OE1 GLN A 93 13.840 3.883 -2.800 1.00 0.00 O flip ATOM 1430 NE2 GLN A 93 13.349 3.303 -4.896 1.00 0.00 N flip ATOM 0 H GLN A 93 9.315 1.598 -2.753 1.00 0.00 H new ATOM 0 HA GLN A 93 11.345 0.562 -1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.763 3.362 -2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.195 2.944 -1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.704 1.194 -2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.419 1.925 -3.924 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.810 2.749 -5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.050 3.963 -5.232 1.00 0.00 H new ATOM 1439 N LEU A 94 8.900 2.155 0.378 1.00 0.00 N ATOM 1440 CA LEU A 94 8.291 2.565 1.660 1.00 0.00 C ATOM 1441 C LEU A 94 8.217 1.347 2.594 1.00 0.00 C ATOM 1442 O LEU A 94 8.753 1.376 3.697 1.00 0.00 O ATOM 1443 CB LEU A 94 6.882 3.193 1.391 1.00 0.00 C ATOM 1444 CG LEU A 94 6.099 3.850 2.589 1.00 0.00 C ATOM 1445 CD1 LEU A 94 5.017 4.816 2.064 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.445 2.801 3.527 1.00 0.00 C ATOM 0 H LEU A 94 8.235 2.120 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 94 8.899 3.325 2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.002 3.954 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.248 2.412 0.972 1.00 0.00 H new ATOM 0 HG LEU A 94 6.836 4.400 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.486 5.260 2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.487 5.603 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.312 4.268 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.919 3.312 4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.738 2.196 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.218 2.157 3.948 1.00 0.00 H new ATOM 1458 N VAL A 95 7.534 0.281 2.133 1.00 0.00 N ATOM 1459 CA VAL A 95 7.362 -0.969 2.904 1.00 0.00 C ATOM 1460 C VAL A 95 8.733 -1.657 3.115 1.00 0.00 C ATOM 1461 O VAL A 95 8.959 -2.298 4.145 1.00 0.00 O ATOM 1462 CB VAL A 95 6.332 -1.949 2.210 1.00 0.00 C ATOM 1463 CG1 VAL A 95 6.129 -3.259 3.023 1.00 0.00 C ATOM 1464 CG2 VAL A 95 4.973 -1.237 1.965 1.00 0.00 C ATOM 0 H VAL A 95 7.086 0.261 1.217 1.00 0.00 H new ATOM 0 HA VAL A 95 6.947 -0.711 3.878 1.00 0.00 H new ATOM 0 HB VAL A 95 6.757 -2.231 1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.414 -3.900 2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.082 -3.780 3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.749 -3.016 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.280 -1.930 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.558 -0.908 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.126 -0.373 1.318 1.00 0.00 H new ATOM 1474 N GLU A 96 9.646 -1.471 2.132 1.00 0.00 N ATOM 1475 CA GLU A 96 11.042 -1.955 2.208 1.00 0.00 C ATOM 1476 C GLU A 96 11.827 -1.122 3.252 1.00 0.00 C ATOM 1477 O GLU A 96 12.640 -1.666 3.982 1.00 0.00 O ATOM 1478 CB GLU A 96 11.723 -1.895 0.793 1.00 0.00 C ATOM 1479 CG GLU A 96 12.983 -2.786 0.592 1.00 0.00 C ATOM 1480 CD GLU A 96 14.230 -2.305 1.362 1.00 0.00 C ATOM 1481 OE1 GLU A 96 14.792 -1.250 0.992 1.00 0.00 O ATOM 1482 OE2 GLU A 96 14.645 -2.961 2.346 1.00 0.00 O ATOM 0 H GLU A 96 9.433 -0.980 1.264 1.00 0.00 H new ATOM 0 HA GLU A 96 11.046 -2.997 2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.982 -2.178 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.001 -0.860 0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.748 -3.803 0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.220 -2.826 -0.471 1.00 0.00 H new ATOM 1489 N LYS A 97 11.554 0.196 3.320 1.00 0.00 N ATOM 1490 CA LYS A 97 12.199 1.108 4.305 1.00 0.00 C ATOM 1491 C LYS A 97 11.798 0.701 5.733 1.00 0.00 C ATOM 1492 O LYS A 97 12.617 0.724 6.647 1.00 0.00 O ATOM 1493 CB LYS A 97 11.795 2.580 4.015 1.00 0.00 C ATOM 1494 CG LYS A 97 12.460 3.666 4.895 1.00 0.00 C ATOM 1495 CD LYS A 97 12.047 5.090 4.453 1.00 0.00 C ATOM 1496 CE LYS A 97 12.709 6.198 5.278 1.00 0.00 C ATOM 1497 NZ LYS A 97 12.349 7.553 4.773 1.00 0.00 N ATOM 0 H LYS A 97 10.888 0.662 2.703 1.00 0.00 H new ATOM 0 HA LYS A 97 13.282 1.028 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.026 2.798 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.714 2.665 4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.180 3.512 5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.544 3.567 4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.305 5.226 3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.964 5.187 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.405 6.106 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.792 6.075 5.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.816 8.276 5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.661 7.650 3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.318 7.680 4.824 1.00 0.00 H new ATOM 1511 N HIS A 98 10.526 0.293 5.882 1.00 0.00 N ATOM 1512 CA HIS A 98 9.972 -0.217 7.151 1.00 0.00 C ATOM 1513 C HIS A 98 10.505 -1.629 7.466 1.00 0.00 C ATOM 1514 O HIS A 98 10.691 -1.980 8.635 1.00 0.00 O ATOM 1515 CB HIS A 98 8.416 -0.199 7.106 1.00 0.00 C ATOM 1516 CG HIS A 98 7.823 1.180 7.292 1.00 0.00 C ATOM 1517 ND1 HIS A 98 7.077 1.527 8.395 1.00 0.00 N ATOM 1518 CD2 HIS A 98 7.875 2.300 6.524 1.00 0.00 C ATOM 1519 CE1 HIS A 98 6.708 2.780 8.302 1.00 0.00 C ATOM 1520 NE2 HIS A 98 7.182 3.269 7.180 1.00 0.00 N ATOM 0 H HIS A 98 9.847 0.307 5.121 1.00 0.00 H new ATOM 0 HA HIS A 98 10.300 0.440 7.956 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.083 -0.603 6.150 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.030 -0.860 7.883 1.00 0.00 H new ATOM 0 HD1 HIS A 98 6.846 0.903 9.168 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.373 2.402 5.571 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.115 3.319 9.025 1.00 0.00 H new ATOM 1529 N ARG A 99 10.760 -2.418 6.405 1.00 0.00 N ATOM 1530 CA ARG A 99 11.350 -3.770 6.513 1.00 0.00 C ATOM 1531 C ARG A 99 12.802 -3.676 7.041 1.00 0.00 C ATOM 1532 O ARG A 99 13.189 -4.405 7.955 1.00 0.00 O ATOM 1533 CB ARG A 99 11.309 -4.484 5.131 1.00 0.00 C ATOM 1534 CG ARG A 99 11.941 -5.893 5.104 1.00 0.00 C ATOM 1535 CD ARG A 99 11.974 -6.511 3.695 1.00 0.00 C ATOM 1536 NE ARG A 99 12.725 -7.777 3.687 1.00 0.00 N ATOM 1537 CZ ARG A 99 12.789 -8.648 2.666 1.00 0.00 C ATOM 1538 NH1 ARG A 99 12.114 -8.445 1.539 1.00 0.00 N ATOM 1539 NH2 ARG A 99 13.521 -9.744 2.789 1.00 0.00 N ATOM 0 H ARG A 99 10.563 -2.137 5.445 1.00 0.00 H new ATOM 0 HA ARG A 99 10.765 -4.358 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.270 -4.562 4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 99 11.822 -3.858 4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.957 -5.837 5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 99 11.380 -6.549 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 99 10.956 -6.687 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.432 -5.809 2.998 1.00 0.00 H new ATOM 0 HE ARG A 99 13.243 -8.014 4.533 1.00 0.00 H new ATOM 0 HH11 ARG A 99 11.532 -7.614 1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.178 -9.120 0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 99 14.031 -9.922 3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.575 -10.410 2.019 1.00 0.00 H new ATOM 1553 N ALA A 100 13.560 -2.726 6.476 1.00 0.00 N ATOM 1554 CA ALA A 100 14.957 -2.445 6.853 1.00 0.00 C ATOM 1555 C ALA A 100 15.018 -1.771 8.235 1.00 0.00 C ATOM 1556 O ALA A 100 15.996 -1.938 8.976 1.00 0.00 O ATOM 1557 CB ALA A 100 15.618 -1.567 5.774 1.00 0.00 C ATOM 0 H ALA A 100 13.216 -2.120 5.731 1.00 0.00 H new ATOM 0 HA ALA A 100 15.507 -3.384 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 100 16.651 -1.361 6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 100 15.600 -2.090 4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 100 15.072 -0.628 5.684 1.00 0.00 H new ATOM 1563 N ALA A 101 13.949 -1.015 8.571 1.00 0.00 N ATOM 1564 CA ALA A 101 13.786 -0.378 9.890 1.00 0.00 C ATOM 1565 C ALA A 101 13.430 -1.416 10.967 1.00 0.00 C ATOM 1566 O ALA A 101 13.582 -1.145 12.159 1.00 0.00 O ATOM 1567 CB ALA A 101 12.719 0.727 9.827 1.00 0.00 C ATOM 0 H ALA A 101 13.176 -0.831 7.932 1.00 0.00 H new ATOM 0 HA ALA A 101 14.738 0.076 10.165 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.612 1.186 10.810 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.022 1.484 9.104 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.766 0.295 9.523 1.00 0.00 H new