USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 704 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 54 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 77 CYS SG : rot 18:sc= 0.111 USER MOD Single : A 33 MET CE :methyl -119:sc= -1.49 (180deg=-1.58) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 49 ASN : amide:sc= 0.361 K(o=0.36,f=-0.8) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 51 MET CE :methyl -137:sc= -0.0874 (180deg=-2.43!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 158:sc= 0.993 USER MOD Single : A 59 CYS SG : rot 40:sc= -0.0463 USER MOD Single : A 65 TYR OH : rot 43:sc= 1.25 USER MOD Single : A 67 ASN : amide:sc= -3.88! C(o=-3.9!,f=-4.9!) USER MOD Single : A 70 THR OG1 : rot 150:sc= -1.12 USER MOD Single : A 71 LYS NZ :NH3+ -139:sc= -1.25 (180deg=-3.71!) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.0329 F(o=-1.3!,f=-0.033) USER MOD Single : A 76 TYR OH : rot -135:sc= 0.697 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.13) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.535 F(o=-5!,f=-0.53) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.0396 F(o=-1.1,f=-0.04) USER MOD Single : A 101 THR OG1 : rot 146:sc= 1.12 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= 0.473 K(o=0.47,f=-1.9!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot -161:sc= 0.064 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 11.560 4.597 -4.846 1.00 0.00 N ATOM 439 CA ASP A 32 11.011 4.699 -3.502 1.00 0.00 C ATOM 440 C ASP A 32 9.559 4.246 -3.497 1.00 0.00 C ATOM 441 O ASP A 32 8.746 4.736 -4.287 1.00 0.00 O ATOM 442 CB ASP A 32 11.117 6.132 -2.985 1.00 0.00 C ATOM 443 CG ASP A 32 10.444 6.322 -1.639 1.00 0.00 C ATOM 444 OD1 ASP A 32 10.586 5.446 -0.760 1.00 0.00 O ATOM 445 OD2 ASP A 32 9.763 7.348 -1.458 1.00 0.00 O ATOM 0 HA ASP A 32 11.588 4.051 -2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.169 6.407 -2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.666 6.809 -3.710 1.00 0.00 H new ATOM 450 N MET A 33 9.237 3.307 -2.620 1.00 0.00 N ATOM 451 CA MET A 33 7.891 2.755 -2.555 1.00 0.00 C ATOM 452 C MET A 33 6.910 3.785 -2.001 1.00 0.00 C ATOM 453 O MET A 33 5.746 3.811 -2.390 1.00 0.00 O ATOM 454 CB MET A 33 7.875 1.495 -1.695 1.00 0.00 C ATOM 455 CG MET A 33 6.800 0.504 -2.100 1.00 0.00 C ATOM 456 SD MET A 33 6.952 -0.017 -3.824 1.00 0.00 S ATOM 457 CE MET A 33 8.603 -0.710 -3.830 1.00 0.00 C ATOM 0 H MET A 33 9.889 2.911 -1.943 1.00 0.00 H new ATOM 0 HA MET A 33 7.580 2.494 -3.566 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.849 1.009 -1.757 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.725 1.777 -0.653 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.855 -0.372 -1.453 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.819 0.953 -1.945 1.00 0.00 H new ATOM 0 HE1 MET A 33 9.228 -0.154 -4.529 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.029 -0.643 -2.829 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.558 -1.755 -4.136 1.00 0.00 H new ATOM 467 N ARG A 34 7.387 4.639 -1.101 1.00 0.00 N ATOM 468 CA ARG A 34 6.559 5.705 -0.544 1.00 0.00 C ATOM 469 C ARG A 34 6.213 6.722 -1.627 1.00 0.00 C ATOM 470 O ARG A 34 5.079 7.196 -1.714 1.00 0.00 O ATOM 471 CB ARG A 34 7.283 6.385 0.618 1.00 0.00 C ATOM 472 CG ARG A 34 6.575 7.620 1.152 1.00 0.00 C ATOM 473 CD ARG A 34 7.338 8.215 2.323 1.00 0.00 C ATOM 474 NE ARG A 34 6.820 9.523 2.730 1.00 0.00 N ATOM 475 CZ ARG A 34 7.312 10.220 3.758 1.00 0.00 C ATOM 476 NH1 ARG A 34 8.305 9.714 4.482 1.00 0.00 N ATOM 477 NH2 ARG A 34 6.823 11.418 4.055 1.00 0.00 N ATOM 0 H ARG A 34 8.341 4.614 -0.742 1.00 0.00 H new ATOM 0 HA ARG A 34 5.633 5.271 -0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.400 5.667 1.430 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.285 6.665 0.294 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.480 8.362 0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.564 7.358 1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.288 7.530 3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.390 8.313 2.054 1.00 0.00 H new ATOM 0 HE ARG A 34 6.044 9.922 2.202 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.688 8.797 4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.684 10.242 5.268 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.066 11.813 3.497 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.204 11.944 4.842 1.00 0.00 H new ATOM 491 N LEU A 35 7.209 7.040 -2.442 1.00 0.00 N ATOM 492 CA LEU A 35 7.032 7.906 -3.599 1.00 0.00 C ATOM 493 C LEU A 35 5.862 7.440 -4.457 1.00 0.00 C ATOM 494 O LEU A 35 4.892 8.175 -4.661 1.00 0.00 O ATOM 495 CB LEU A 35 8.310 7.897 -4.439 1.00 0.00 C ATOM 496 CG LEU A 35 8.222 8.649 -5.763 1.00 0.00 C ATOM 497 CD1 LEU A 35 8.267 10.148 -5.524 1.00 0.00 C ATOM 498 CD2 LEU A 35 9.341 8.214 -6.703 1.00 0.00 C ATOM 0 H LEU A 35 8.164 6.704 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 35 6.821 8.915 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.118 8.328 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.583 6.862 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 35 7.271 8.407 -6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.203 10.671 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.428 10.441 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.202 10.410 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.261 8.762 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.306 8.424 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.257 7.145 -6.898 1.00 0.00 H new ATOM 510 N GLU A 36 5.965 6.207 -4.945 1.00 0.00 N ATOM 511 CA GLU A 36 4.936 5.622 -5.792 1.00 0.00 C ATOM 512 C GLU A 36 3.612 5.535 -5.039 1.00 0.00 C ATOM 513 O GLU A 36 2.541 5.709 -5.619 1.00 0.00 O ATOM 514 CB GLU A 36 5.369 4.228 -6.250 1.00 0.00 C ATOM 515 CG GLU A 36 6.693 4.218 -6.999 1.00 0.00 C ATOM 516 CD GLU A 36 6.576 4.750 -8.411 1.00 0.00 C ATOM 517 OE1 GLU A 36 6.458 5.979 -8.588 1.00 0.00 O ATOM 518 OE2 GLU A 36 6.627 3.937 -9.355 1.00 0.00 O ATOM 0 H GLU A 36 6.758 5.591 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 36 4.799 6.259 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.448 3.577 -5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.594 3.809 -6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.420 4.817 -6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.079 3.199 -7.031 1.00 0.00 H new ATOM 525 N ALA A 37 3.701 5.300 -3.737 1.00 0.00 N ATOM 526 CA ALA A 37 2.517 5.132 -2.900 1.00 0.00 C ATOM 527 C ALA A 37 1.693 6.409 -2.849 1.00 0.00 C ATOM 528 O ALA A 37 0.497 6.398 -3.151 1.00 0.00 O ATOM 529 CB ALA A 37 2.907 4.704 -1.494 1.00 0.00 C ATOM 0 H ALA A 37 4.585 5.221 -3.234 1.00 0.00 H new ATOM 0 HA ALA A 37 1.905 4.349 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.009 4.585 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.444 3.756 -1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.548 5.464 -1.047 1.00 0.00 H new ATOM 535 N GLU A 38 2.335 7.510 -2.479 1.00 0.00 N ATOM 536 CA GLU A 38 1.651 8.791 -2.365 1.00 0.00 C ATOM 537 C GLU A 38 1.162 9.271 -3.730 1.00 0.00 C ATOM 538 O GLU A 38 0.200 10.038 -3.827 1.00 0.00 O ATOM 539 CB GLU A 38 2.563 9.837 -1.719 1.00 0.00 C ATOM 540 CG GLU A 38 2.911 9.522 -0.272 1.00 0.00 C ATOM 541 CD GLU A 38 3.601 10.672 0.432 1.00 0.00 C ATOM 542 OE1 GLU A 38 3.007 11.772 0.499 1.00 0.00 O ATOM 543 OE2 GLU A 38 4.733 10.489 0.930 1.00 0.00 O ATOM 0 H GLU A 38 3.329 7.541 -2.253 1.00 0.00 H new ATOM 0 HA GLU A 38 0.781 8.653 -1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.483 9.914 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.076 10.811 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.999 9.266 0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.556 8.644 -0.242 1.00 0.00 H new ATOM 550 N ALA A 39 1.822 8.809 -4.786 1.00 0.00 N ATOM 551 CA ALA A 39 1.401 9.114 -6.145 1.00 0.00 C ATOM 552 C ALA A 39 0.103 8.386 -6.479 1.00 0.00 C ATOM 553 O ALA A 39 -0.820 8.966 -7.051 1.00 0.00 O ATOM 554 CB ALA A 39 2.493 8.738 -7.135 1.00 0.00 C ATOM 0 H ALA A 39 2.653 8.220 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 39 1.222 10.187 -6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.163 8.972 -8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.398 9.301 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.701 7.671 -7.059 1.00 0.00 H new ATOM 560 N VAL A 40 0.043 7.111 -6.111 1.00 0.00 N ATOM 561 CA VAL A 40 -1.145 6.294 -6.337 1.00 0.00 C ATOM 562 C VAL A 40 -2.336 6.823 -5.541 1.00 0.00 C ATOM 563 O VAL A 40 -3.426 6.996 -6.090 1.00 0.00 O ATOM 564 CB VAL A 40 -0.888 4.815 -5.958 1.00 0.00 C ATOM 565 CG1 VAL A 40 -2.177 4.006 -5.979 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.133 4.195 -6.900 1.00 0.00 C ATOM 0 H VAL A 40 0.809 6.618 -5.652 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.376 6.351 -7.401 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.493 4.796 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.962 2.972 -5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.884 4.429 -5.265 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.610 4.037 -6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.302 3.155 -6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.242 4.239 -7.923 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.071 4.746 -6.833 1.00 0.00 H new ATOM 576 N VAL A 41 -2.109 7.097 -4.258 1.00 0.00 N ATOM 577 CA VAL A 41 -3.165 7.563 -3.363 1.00 0.00 C ATOM 578 C VAL A 41 -3.868 8.801 -3.919 1.00 0.00 C ATOM 579 O VAL A 41 -5.093 8.889 -3.906 1.00 0.00 O ATOM 580 CB VAL A 41 -2.599 7.885 -1.960 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.663 8.499 -1.064 1.00 0.00 C ATOM 582 CG2 VAL A 41 -2.025 6.636 -1.313 1.00 0.00 C ATOM 0 H VAL A 41 -1.196 7.003 -3.813 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.892 6.755 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.799 8.614 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.235 8.714 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.027 9.424 -1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.492 7.800 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.632 6.885 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.809 5.885 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.222 6.241 -1.935 1.00 0.00 H new ATOM 592 N ASN A 42 -3.081 9.740 -4.430 1.00 0.00 N ATOM 593 CA ASN A 42 -3.615 11.008 -4.921 1.00 0.00 C ATOM 594 C ASN A 42 -4.489 10.804 -6.156 1.00 0.00 C ATOM 595 O ASN A 42 -5.532 11.442 -6.306 1.00 0.00 O ATOM 596 CB ASN A 42 -2.470 11.968 -5.264 1.00 0.00 C ATOM 597 CG ASN A 42 -2.959 13.342 -5.699 1.00 0.00 C ATOM 598 OD1 ASN A 42 -3.987 13.850 -5.038 1.00 0.00 O flip ATOM 599 ND2 ASN A 42 -2.389 13.957 -6.600 1.00 0.00 N flip ATOM 0 H ASN A 42 -2.069 9.649 -4.516 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.229 11.435 -4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.822 12.077 -4.395 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.865 11.534 -6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.600 13.533 -7.087 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.706 14.891 -6.860 1.00 0.00 H new ATOM 606 N ASP A 43 -4.067 9.896 -7.024 1.00 0.00 N ATOM 607 CA ASP A 43 -4.681 9.746 -8.340 1.00 0.00 C ATOM 608 C ASP A 43 -6.035 9.041 -8.274 1.00 0.00 C ATOM 609 O ASP A 43 -6.949 9.383 -9.025 1.00 0.00 O ATOM 610 CB ASP A 43 -3.738 8.987 -9.278 1.00 0.00 C ATOM 611 CG ASP A 43 -4.302 8.849 -10.680 1.00 0.00 C ATOM 612 OD1 ASP A 43 -4.301 9.849 -11.431 1.00 0.00 O ATOM 613 OD2 ASP A 43 -4.744 7.742 -11.039 1.00 0.00 O ATOM 0 H ASP A 43 -3.300 9.249 -6.842 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.857 10.749 -8.730 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.781 9.506 -9.324 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.543 7.996 -8.869 1.00 0.00 H new ATOM 618 N VAL A 44 -6.171 8.072 -7.374 1.00 0.00 N ATOM 619 CA VAL A 44 -7.402 7.283 -7.294 1.00 0.00 C ATOM 620 C VAL A 44 -8.254 7.673 -6.087 1.00 0.00 C ATOM 621 O VAL A 44 -9.264 7.031 -5.798 1.00 0.00 O ATOM 622 CB VAL A 44 -7.109 5.765 -7.243 1.00 0.00 C ATOM 623 CG1 VAL A 44 -6.410 5.310 -8.519 1.00 0.00 C ATOM 624 CG2 VAL A 44 -6.274 5.415 -6.018 1.00 0.00 C ATOM 0 H VAL A 44 -5.454 7.814 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.961 7.505 -8.203 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.060 5.238 -7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.212 4.239 -8.464 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.049 5.517 -9.378 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.468 5.847 -8.629 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.081 4.342 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.327 5.954 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.816 5.698 -5.115 1.00 0.00 H new ATOM 634 N LEU A 45 -7.867 8.751 -5.414 1.00 0.00 N ATOM 635 CA LEU A 45 -8.551 9.203 -4.199 1.00 0.00 C ATOM 636 C LEU A 45 -10.025 9.543 -4.459 1.00 0.00 C ATOM 637 O LEU A 45 -10.872 9.401 -3.574 1.00 0.00 O ATOM 638 CB LEU A 45 -7.842 10.438 -3.634 1.00 0.00 C ATOM 639 CG LEU A 45 -8.432 11.002 -2.339 1.00 0.00 C ATOM 640 CD1 LEU A 45 -8.236 10.027 -1.191 1.00 0.00 C ATOM 641 CD2 LEU A 45 -7.804 12.346 -2.013 1.00 0.00 C ATOM 0 H LEU A 45 -7.077 9.335 -5.689 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.516 8.383 -3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.797 10.186 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.857 11.222 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.503 11.147 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.662 10.447 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.734 9.086 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.171 9.848 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.234 12.734 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.728 12.224 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.999 13.045 -2.826 1.00 0.00 H new ATOM 653 N PHE A 46 -10.325 9.970 -5.679 1.00 0.00 N ATOM 654 CA PHE A 46 -11.656 10.469 -6.015 1.00 0.00 C ATOM 655 C PHE A 46 -12.703 9.351 -6.033 1.00 0.00 C ATOM 656 O PHE A 46 -13.896 9.609 -5.870 1.00 0.00 O ATOM 657 CB PHE A 46 -11.627 11.179 -7.378 1.00 0.00 C ATOM 658 CG PHE A 46 -11.423 10.254 -8.553 1.00 0.00 C ATOM 659 CD1 PHE A 46 -10.161 9.784 -8.876 1.00 0.00 C ATOM 660 CD2 PHE A 46 -12.501 9.858 -9.333 1.00 0.00 C ATOM 661 CE1 PHE A 46 -9.978 8.934 -9.952 1.00 0.00 C ATOM 662 CE2 PHE A 46 -12.321 9.010 -10.408 1.00 0.00 C ATOM 663 CZ PHE A 46 -11.058 8.548 -10.719 1.00 0.00 C ATOM 0 H PHE A 46 -9.664 9.981 -6.456 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.943 11.178 -5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.564 11.719 -7.514 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.829 11.921 -7.371 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.311 10.084 -8.282 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -13.492 10.217 -9.096 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.989 8.572 -10.192 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -13.169 8.708 -11.005 1.00 0.00 H new ATOM 0 HZ PHE A 46 -10.916 7.886 -11.560 1.00 0.00 H new ATOM 673 N ALA A 47 -12.260 8.112 -6.214 1.00 0.00 N ATOM 674 CA ALA A 47 -13.183 7.002 -6.427 1.00 0.00 C ATOM 675 C ALA A 47 -13.500 6.266 -5.130 1.00 0.00 C ATOM 676 O ALA A 47 -14.148 5.219 -5.144 1.00 0.00 O ATOM 677 CB ALA A 47 -12.611 6.042 -7.456 1.00 0.00 C ATOM 0 H ALA A 47 -11.274 7.851 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.120 7.416 -6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.306 5.216 -7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.458 6.568 -8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.658 5.652 -7.099 1.00 0.00 H new ATOM 683 N VAL A 48 -13.056 6.821 -4.013 1.00 0.00 N ATOM 684 CA VAL A 48 -13.292 6.219 -2.705 1.00 0.00 C ATOM 685 C VAL A 48 -13.609 7.304 -1.681 1.00 0.00 C ATOM 686 O VAL A 48 -13.684 8.484 -2.025 1.00 0.00 O ATOM 687 CB VAL A 48 -12.087 5.379 -2.208 1.00 0.00 C ATOM 688 CG1 VAL A 48 -11.799 4.219 -3.149 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.847 6.241 -2.031 1.00 0.00 C ATOM 0 H VAL A 48 -12.527 7.693 -3.984 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.140 5.543 -2.816 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.357 4.970 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.949 3.649 -2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.674 3.571 -3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.567 4.605 -4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.020 5.622 -1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.581 6.697 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.049 7.023 -1.299 1.00 0.00 H new ATOM 699 N ASN A 49 -13.788 6.907 -0.427 1.00 0.00 N ATOM 700 CA ASN A 49 -14.108 7.857 0.629 1.00 0.00 C ATOM 701 C ASN A 49 -12.845 8.561 1.101 1.00 0.00 C ATOM 702 O ASN A 49 -12.753 9.790 1.077 1.00 0.00 O ATOM 703 CB ASN A 49 -14.768 7.147 1.814 1.00 0.00 C ATOM 704 CG ASN A 49 -15.373 8.123 2.804 1.00 0.00 C ATOM 705 OD1 ASN A 49 -15.890 9.171 2.417 1.00 0.00 O ATOM 706 ND2 ASN A 49 -15.305 7.798 4.084 1.00 0.00 N ATOM 0 H ASN A 49 -13.717 5.937 -0.118 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.804 8.592 0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.545 6.477 1.446 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.028 6.529 2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -15.689 8.425 4.791 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.868 6.920 4.365 1.00 0.00 H new ATOM 713 N ASN A 50 -11.867 7.766 1.509 1.00 0.00 N ATOM 714 CA ASN A 50 -10.601 8.283 2.008 1.00 0.00 C ATOM 715 C ASN A 50 -9.492 7.262 1.783 1.00 0.00 C ATOM 716 O ASN A 50 -9.684 6.070 1.993 1.00 0.00 O ATOM 717 CB ASN A 50 -10.717 8.626 3.500 1.00 0.00 C ATOM 718 CG ASN A 50 -9.389 9.009 4.131 1.00 0.00 C ATOM 719 OD1 ASN A 50 -8.677 8.161 4.671 1.00 0.00 O ATOM 720 ND2 ASN A 50 -9.044 10.287 4.073 1.00 0.00 N ATOM 0 H ASN A 50 -11.928 6.748 1.504 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.354 9.193 1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.421 9.449 3.623 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.131 7.769 4.032 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.163 10.597 4.484 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.659 10.961 3.617 1.00 0.00 H new ATOM 727 N MET A 51 -8.346 7.729 1.330 1.00 0.00 N ATOM 728 CA MET A 51 -7.201 6.869 1.102 1.00 0.00 C ATOM 729 C MET A 51 -5.953 7.581 1.599 1.00 0.00 C ATOM 730 O MET A 51 -5.782 8.775 1.352 1.00 0.00 O ATOM 731 CB MET A 51 -7.080 6.546 -0.389 1.00 0.00 C ATOM 732 CG MET A 51 -6.143 5.391 -0.700 1.00 0.00 C ATOM 733 SD MET A 51 -5.958 5.105 -2.468 1.00 0.00 S ATOM 734 CE MET A 51 -5.053 3.563 -2.447 1.00 0.00 C ATOM 0 H MET A 51 -8.182 8.711 1.110 1.00 0.00 H new ATOM 0 HA MET A 51 -7.323 5.931 1.643 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.070 6.312 -0.781 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.731 7.435 -0.915 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.165 5.594 -0.264 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.520 4.485 -0.227 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.255 3.600 -3.188 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.623 3.407 -1.458 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.729 2.741 -2.682 1.00 0.00 H new ATOM 744 N PHE A 52 -5.096 6.864 2.313 1.00 0.00 N ATOM 745 CA PHE A 52 -3.919 7.478 2.915 1.00 0.00 C ATOM 746 C PHE A 52 -2.882 6.415 3.263 1.00 0.00 C ATOM 747 O PHE A 52 -3.211 5.237 3.401 1.00 0.00 O ATOM 748 CB PHE A 52 -4.339 8.264 4.168 1.00 0.00 C ATOM 749 CG PHE A 52 -3.257 9.118 4.767 1.00 0.00 C ATOM 750 CD1 PHE A 52 -2.697 10.160 4.043 1.00 0.00 C ATOM 751 CD2 PHE A 52 -2.800 8.880 6.052 1.00 0.00 C ATOM 752 CE1 PHE A 52 -1.703 10.946 4.593 1.00 0.00 C ATOM 753 CE2 PHE A 52 -1.806 9.663 6.607 1.00 0.00 C ATOM 754 CZ PHE A 52 -1.256 10.698 5.875 1.00 0.00 C ATOM 0 H PHE A 52 -5.192 5.864 2.489 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.465 8.166 2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.186 8.901 3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.686 7.559 4.923 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.042 10.359 3.039 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.226 8.072 6.628 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.275 11.755 4.019 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.460 9.467 7.611 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.478 11.311 6.305 1.00 0.00 H new ATOM 764 N VAL A 53 -1.628 6.832 3.379 1.00 0.00 N ATOM 765 CA VAL A 53 -0.550 5.926 3.755 1.00 0.00 C ATOM 766 C VAL A 53 -0.667 5.556 5.236 1.00 0.00 C ATOM 767 O VAL A 53 -0.963 6.408 6.075 1.00 0.00 O ATOM 768 CB VAL A 53 0.841 6.547 3.455 1.00 0.00 C ATOM 769 CG1 VAL A 53 1.016 7.871 4.185 1.00 0.00 C ATOM 770 CG2 VAL A 53 1.962 5.582 3.814 1.00 0.00 C ATOM 0 H VAL A 53 -1.331 7.795 3.218 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.643 5.020 3.156 1.00 0.00 H new ATOM 0 HB VAL A 53 0.893 6.740 2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.999 8.285 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.244 8.570 3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.931 7.708 5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.924 6.044 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.910 5.342 4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.856 4.668 3.230 1.00 0.00 H new ATOM 780 N SER A 54 -0.462 4.285 5.549 1.00 0.00 N ATOM 781 CA SER A 54 -0.588 3.807 6.914 1.00 0.00 C ATOM 782 C SER A 54 0.532 4.366 7.783 1.00 0.00 C ATOM 783 O SER A 54 1.711 4.067 7.577 1.00 0.00 O ATOM 784 CB SER A 54 -0.578 2.281 6.941 1.00 0.00 C ATOM 785 OG SER A 54 -1.612 1.751 6.129 1.00 0.00 O ATOM 0 H SER A 54 -0.207 3.566 4.872 1.00 0.00 H new ATOM 0 HA SER A 54 -1.538 4.155 7.318 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.387 1.914 6.592 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.700 1.931 7.966 1.00 0.00 H new ATOM 0 HG SER A 54 -1.489 0.784 6.032 1.00 0.00 H new ATOM 791 N LYS A 55 0.151 5.176 8.758 1.00 0.00 N ATOM 792 CA LYS A 55 1.105 5.846 9.627 1.00 0.00 C ATOM 793 C LYS A 55 1.288 5.061 10.928 1.00 0.00 C ATOM 794 O LYS A 55 2.020 5.477 11.823 1.00 0.00 O ATOM 795 CB LYS A 55 0.604 7.265 9.930 1.00 0.00 C ATOM 796 CG LYS A 55 1.581 8.123 10.717 1.00 0.00 C ATOM 797 CD LYS A 55 0.902 9.359 11.280 1.00 0.00 C ATOM 798 CE LYS A 55 1.824 10.106 12.229 1.00 0.00 C ATOM 799 NZ LYS A 55 1.117 11.187 12.964 1.00 0.00 N ATOM 0 H LYS A 55 -0.824 5.387 8.969 1.00 0.00 H new ATOM 0 HA LYS A 55 2.070 5.901 9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.377 7.765 8.989 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.330 7.196 10.487 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.008 7.538 11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.407 8.422 10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.604 10.017 10.464 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.009 9.070 11.805 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.253 9.404 12.944 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.653 10.534 11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.785 11.669 13.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.729 11.872 12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.342 10.777 13.523 1.00 0.00 H new ATOM 813 N SER A 56 0.642 3.909 11.025 1.00 0.00 N ATOM 814 CA SER A 56 0.638 3.164 12.275 1.00 0.00 C ATOM 815 C SER A 56 1.567 1.958 12.205 1.00 0.00 C ATOM 816 O SER A 56 1.542 1.090 13.077 1.00 0.00 O ATOM 817 CB SER A 56 -0.785 2.713 12.600 1.00 0.00 C ATOM 818 OG SER A 56 -1.684 3.809 12.534 1.00 0.00 O ATOM 0 H SER A 56 0.120 3.474 10.264 1.00 0.00 H new ATOM 0 HA SER A 56 1.002 3.820 13.065 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.096 1.938 11.899 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.814 2.272 13.596 1.00 0.00 H new ATOM 0 HG SER A 56 -2.595 3.477 12.396 1.00 0.00 H new ATOM 824 N LEU A 57 2.402 1.914 11.175 1.00 0.00 N ATOM 825 CA LEU A 57 3.276 0.767 10.978 1.00 0.00 C ATOM 826 C LEU A 57 4.695 1.194 10.630 1.00 0.00 C ATOM 827 O LEU A 57 5.504 1.467 11.518 1.00 0.00 O ATOM 828 CB LEU A 57 2.742 -0.159 9.878 1.00 0.00 C ATOM 829 CG LEU A 57 1.318 -0.677 10.075 1.00 0.00 C ATOM 830 CD1 LEU A 57 0.294 0.308 9.540 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.157 -2.017 9.396 1.00 0.00 C ATOM 0 H LEU A 57 2.492 2.648 10.473 1.00 0.00 H new ATOM 0 HA LEU A 57 3.295 0.225 11.923 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.786 0.374 8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.411 -1.015 9.794 1.00 0.00 H new ATOM 0 HG LEU A 57 1.145 -0.793 11.145 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.709 -0.090 9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.393 1.258 10.066 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.462 0.464 8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.139 -2.379 9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.355 -1.911 8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.860 -2.730 9.826 1.00 0.00 H new ATOM 843 N ARG A 58 4.981 1.267 9.333 1.00 0.00 N ATOM 844 CA ARG A 58 6.327 1.534 8.852 1.00 0.00 C ATOM 845 C ARG A 58 6.337 1.639 7.330 1.00 0.00 C ATOM 846 O ARG A 58 5.423 1.148 6.659 1.00 0.00 O ATOM 847 CB ARG A 58 7.280 0.421 9.306 1.00 0.00 C ATOM 848 CG ARG A 58 6.886 -0.961 8.808 1.00 0.00 C ATOM 849 CD ARG A 58 7.669 -2.057 9.508 1.00 0.00 C ATOM 850 NE ARG A 58 7.361 -3.375 8.959 1.00 0.00 N ATOM 851 CZ ARG A 58 7.133 -4.464 9.694 1.00 0.00 C ATOM 852 NH1 ARG A 58 7.124 -4.394 11.020 1.00 0.00 N ATOM 853 NH2 ARG A 58 6.898 -5.623 9.088 1.00 0.00 N ATOM 0 H ARG A 58 4.290 1.143 8.593 1.00 0.00 H new ATOM 0 HA ARG A 58 6.663 2.483 9.271 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.286 0.651 8.955 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.317 0.408 10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.819 -1.116 8.971 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.056 -1.022 7.733 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.737 -1.862 9.409 1.00 0.00 H new ATOM 0 HD3 ARG A 58 7.440 -2.044 10.574 1.00 0.00 H new ATOM 0 HE ARG A 58 7.317 -3.469 7.944 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.292 -3.502 11.485 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.949 -5.232 11.574 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.893 -5.674 8.069 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.723 -6.462 9.642 1.00 0.00 H new ATOM 867 N CYS A 59 7.366 2.279 6.803 1.00 0.00 N ATOM 868 CA CYS A 59 7.545 2.423 5.368 1.00 0.00 C ATOM 869 C CYS A 59 8.974 2.862 5.080 1.00 0.00 C ATOM 870 O CYS A 59 9.378 3.968 5.441 1.00 0.00 O ATOM 871 CB CYS A 59 6.538 3.427 4.798 1.00 0.00 C ATOM 872 SG CYS A 59 6.490 5.008 5.676 1.00 0.00 S ATOM 0 H CYS A 59 8.102 2.714 7.358 1.00 0.00 H new ATOM 0 HA CYS A 59 7.365 1.463 4.884 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.779 3.613 3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.544 2.981 4.821 1.00 0.00 H new ATOM 0 HG CYS A 59 7.699 5.363 5.997 1.00 0.00 H new ATOM 878 N ALA A 60 9.743 1.985 4.449 1.00 0.00 N ATOM 879 CA ALA A 60 11.153 2.251 4.225 1.00 0.00 C ATOM 880 C ALA A 60 11.629 1.718 2.880 1.00 0.00 C ATOM 881 O ALA A 60 12.035 0.557 2.769 1.00 0.00 O ATOM 882 CB ALA A 60 11.991 1.667 5.354 1.00 0.00 C ATOM 0 H ALA A 60 9.415 1.090 4.086 1.00 0.00 H new ATOM 0 HA ALA A 60 11.280 3.333 4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.045 1.875 5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.692 2.118 6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.837 0.589 5.401 1.00 0.00 H new ATOM 888 N ASP A 61 11.520 2.567 1.860 1.00 0.00 N ATOM 889 CA ASP A 61 12.140 2.348 0.544 1.00 0.00 C ATOM 890 C ASP A 61 11.517 1.183 -0.225 1.00 0.00 C ATOM 891 O ASP A 61 10.819 1.395 -1.211 1.00 0.00 O ATOM 892 CB ASP A 61 13.654 2.143 0.675 1.00 0.00 C ATOM 893 CG ASP A 61 14.358 3.356 1.252 1.00 0.00 C ATOM 894 OD1 ASP A 61 14.505 4.367 0.533 1.00 0.00 O ATOM 895 OD2 ASP A 61 14.761 3.307 2.438 1.00 0.00 O ATOM 0 H ASP A 61 10.993 3.438 1.920 1.00 0.00 H new ATOM 0 HA ASP A 61 11.948 3.252 -0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.846 1.279 1.311 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.073 1.917 -0.306 1.00 0.00 H new ATOM 900 N ASP A 62 11.773 -0.039 0.228 1.00 0.00 N ATOM 901 CA ASP A 62 11.322 -1.241 -0.479 1.00 0.00 C ATOM 902 C ASP A 62 9.856 -1.536 -0.185 1.00 0.00 C ATOM 903 O ASP A 62 9.143 -2.099 -1.014 1.00 0.00 O ATOM 904 CB ASP A 62 12.182 -2.445 -0.071 1.00 0.00 C ATOM 905 CG ASP A 62 11.903 -3.693 -0.899 1.00 0.00 C ATOM 906 OD1 ASP A 62 10.903 -4.392 -0.629 1.00 0.00 O ATOM 907 OD2 ASP A 62 12.707 -3.991 -1.809 1.00 0.00 O ATOM 0 H ASP A 62 12.293 -0.228 1.085 1.00 0.00 H new ATOM 0 HA ASP A 62 11.429 -1.062 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.235 -2.180 -0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.006 -2.669 0.981 1.00 0.00 H new ATOM 912 N VAL A 63 9.401 -1.129 0.989 1.00 0.00 N ATOM 913 CA VAL A 63 8.062 -1.476 1.441 1.00 0.00 C ATOM 914 C VAL A 63 7.348 -0.269 2.042 1.00 0.00 C ATOM 915 O VAL A 63 7.947 0.529 2.769 1.00 0.00 O ATOM 916 CB VAL A 63 8.106 -2.632 2.470 1.00 0.00 C ATOM 917 CG1 VAL A 63 8.928 -2.244 3.693 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.700 -3.055 2.881 1.00 0.00 C ATOM 0 H VAL A 63 9.936 -0.560 1.645 1.00 0.00 H new ATOM 0 HA VAL A 63 7.501 -1.807 0.567 1.00 0.00 H new ATOM 0 HB VAL A 63 8.589 -3.483 1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.943 -3.074 4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.948 -2.010 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.483 -1.370 4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.761 -3.868 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.182 -2.208 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.150 -3.392 2.002 1.00 0.00 H new ATOM 928 N ALA A 64 6.072 -0.133 1.712 1.00 0.00 N ATOM 929 CA ALA A 64 5.236 0.920 2.268 1.00 0.00 C ATOM 930 C ALA A 64 3.814 0.413 2.451 1.00 0.00 C ATOM 931 O ALA A 64 3.252 -0.211 1.549 1.00 0.00 O ATOM 932 CB ALA A 64 5.249 2.150 1.370 1.00 0.00 C ATOM 0 H ALA A 64 5.589 -0.746 1.055 1.00 0.00 H new ATOM 0 HA ALA A 64 5.638 1.205 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.617 2.925 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.269 2.523 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.870 1.884 0.383 1.00 0.00 H new ATOM 938 N TYR A 65 3.236 0.669 3.615 1.00 0.00 N ATOM 939 CA TYR A 65 1.870 0.251 3.887 1.00 0.00 C ATOM 940 C TYR A 65 0.895 1.373 3.586 1.00 0.00 C ATOM 941 O TYR A 65 1.069 2.503 4.038 1.00 0.00 O ATOM 942 CB TYR A 65 1.718 -0.213 5.337 1.00 0.00 C ATOM 943 CG TYR A 65 2.412 -1.525 5.611 1.00 0.00 C ATOM 944 CD1 TYR A 65 1.823 -2.728 5.245 1.00 0.00 C ATOM 945 CD2 TYR A 65 3.662 -1.564 6.214 1.00 0.00 C ATOM 946 CE1 TYR A 65 2.456 -3.931 5.473 1.00 0.00 C ATOM 947 CE2 TYR A 65 4.298 -2.765 6.448 1.00 0.00 C ATOM 948 CZ TYR A 65 3.693 -3.945 6.072 1.00 0.00 C ATOM 949 OH TYR A 65 4.331 -5.143 6.284 1.00 0.00 O ATOM 0 H TYR A 65 3.690 1.162 4.384 1.00 0.00 H new ATOM 0 HA TYR A 65 1.641 -0.591 3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.121 0.551 6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.658 -0.313 5.572 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.852 -2.721 4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.143 -0.641 6.504 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.983 -4.857 5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.267 -2.781 6.924 1.00 0.00 H new ATOM 0 HH TYR A 65 4.231 -5.711 5.492 1.00 0.00 H new ATOM 959 N ILE A 66 -0.122 1.051 2.808 1.00 0.00 N ATOM 960 CA ILE A 66 -1.140 2.015 2.424 1.00 0.00 C ATOM 961 C ILE A 66 -2.500 1.543 2.924 1.00 0.00 C ATOM 962 O ILE A 66 -2.697 0.352 3.155 1.00 0.00 O ATOM 963 CB ILE A 66 -1.198 2.180 0.886 1.00 0.00 C ATOM 964 CG1 ILE A 66 0.209 2.340 0.304 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.058 3.379 0.506 1.00 0.00 C ATOM 966 CD1 ILE A 66 0.244 2.339 -1.211 1.00 0.00 C ATOM 0 H ILE A 66 -0.267 0.117 2.425 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.885 2.977 2.869 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.648 1.279 0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.640 3.273 0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.840 1.532 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.086 3.477 -0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.070 3.235 0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.634 4.284 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.273 2.456 -1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.156 1.396 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.360 3.164 -1.589 1.00 0.00 H new ATOM 978 N ASN A 67 -3.426 2.465 3.109 1.00 0.00 N ATOM 979 CA ASN A 67 -4.788 2.103 3.453 1.00 0.00 C ATOM 980 C ASN A 67 -5.761 2.786 2.512 1.00 0.00 C ATOM 981 O ASN A 67 -5.598 3.959 2.170 1.00 0.00 O ATOM 982 CB ASN A 67 -5.116 2.481 4.895 1.00 0.00 C ATOM 983 CG ASN A 67 -6.477 1.958 5.320 1.00 0.00 C ATOM 984 OD1 ASN A 67 -6.592 0.860 5.858 1.00 0.00 O ATOM 985 ND2 ASN A 67 -7.518 2.743 5.080 1.00 0.00 N ATOM 0 H ASN A 67 -3.260 3.468 3.027 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.882 1.022 3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.350 2.081 5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.094 3.566 5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.456 2.441 5.344 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.381 3.649 4.631 1.00 0.00 H new ATOM 992 N VAL A 68 -6.775 2.053 2.104 1.00 0.00 N ATOM 993 CA VAL A 68 -7.787 2.585 1.212 1.00 0.00 C ATOM 994 C VAL A 68 -9.176 2.302 1.774 1.00 0.00 C ATOM 995 O VAL A 68 -9.474 1.188 2.212 1.00 0.00 O ATOM 996 CB VAL A 68 -7.657 2.015 -0.226 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.782 0.498 -0.238 1.00 0.00 C ATOM 998 CG2 VAL A 68 -8.686 2.646 -1.157 1.00 0.00 C ATOM 0 H VAL A 68 -6.922 1.081 2.377 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.636 3.662 1.145 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.662 2.270 -0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.686 0.133 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.995 0.063 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.755 0.210 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.574 2.230 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.689 2.435 -0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.531 3.724 -1.193 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.995 3.328 1.791 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.350 3.231 2.299 1.00 0.00 C ATOM 1010 C GLU A 69 -12.325 3.611 1.196 1.00 0.00 C ATOM 1011 O GLU A 69 -12.408 4.775 0.800 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.519 4.142 3.518 1.00 0.00 C ATOM 1013 CG GLU A 69 -12.904 4.116 4.130 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.014 5.051 5.312 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -13.044 6.277 5.103 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -13.071 4.565 6.460 1.00 0.00 O ATOM 0 H GLU A 69 -9.743 4.257 1.453 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.555 2.207 2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.794 3.851 4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.282 5.166 3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.640 4.396 3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.142 3.101 4.447 1.00 0.00 H new ATOM 1023 N THR A 70 -13.039 2.617 0.688 1.00 0.00 N ATOM 1024 CA THR A 70 -13.916 2.797 -0.455 1.00 0.00 C ATOM 1025 C THR A 70 -15.164 3.591 -0.092 1.00 0.00 C ATOM 1026 O THR A 70 -15.346 4.007 1.054 1.00 0.00 O ATOM 1027 CB THR A 70 -14.324 1.438 -1.062 1.00 0.00 C ATOM 1028 OG1 THR A 70 -15.080 0.671 -0.116 1.00 0.00 O ATOM 1029 CG2 THR A 70 -13.091 0.652 -1.479 1.00 0.00 C ATOM 0 H THR A 70 -13.025 1.666 1.057 1.00 0.00 H new ATOM 0 HA THR A 70 -13.353 3.364 -1.197 1.00 0.00 H new ATOM 0 HB THR A 70 -14.941 1.631 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.712 0.094 -0.593 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.396 -0.304 -1.905 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.532 1.219 -2.223 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.460 0.476 -0.608 1.00 0.00 H new ATOM 1037 N LYS A 71 -16.028 3.788 -1.076 1.00 0.00 N ATOM 1038 CA LYS A 71 -17.217 4.611 -0.912 1.00 0.00 C ATOM 1039 C LYS A 71 -18.211 3.957 0.046 1.00 0.00 C ATOM 1040 O LYS A 71 -19.003 4.640 0.692 1.00 0.00 O ATOM 1041 CB LYS A 71 -17.857 4.852 -2.280 1.00 0.00 C ATOM 1042 CG LYS A 71 -16.882 5.430 -3.294 1.00 0.00 C ATOM 1043 CD LYS A 71 -17.508 5.628 -4.668 1.00 0.00 C ATOM 1044 CE LYS A 71 -18.427 6.840 -4.712 1.00 0.00 C ATOM 1045 NZ LYS A 71 -19.719 6.605 -4.004 1.00 0.00 N ATOM 0 H LYS A 71 -15.926 3.384 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.928 5.568 -0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -18.255 3.911 -2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.701 5.532 -2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.509 6.387 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.022 4.766 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.719 5.745 -5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.072 4.736 -4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.920 7.693 -4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -18.628 7.101 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -20.497 7.020 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -19.876 5.582 -3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -19.686 7.049 -3.064 1.00 0.00 H new ATOM 1059 N GLU A 72 -18.145 2.634 0.151 1.00 0.00 N ATOM 1060 CA GLU A 72 -19.005 1.899 1.068 1.00 0.00 C ATOM 1061 C GLU A 72 -18.295 1.663 2.400 1.00 0.00 C ATOM 1062 O GLU A 72 -18.680 0.784 3.178 1.00 0.00 O ATOM 1063 CB GLU A 72 -19.438 0.573 0.444 1.00 0.00 C ATOM 1064 CG GLU A 72 -20.332 0.743 -0.776 1.00 0.00 C ATOM 1065 CD GLU A 72 -21.606 1.499 -0.457 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -21.607 2.742 -0.554 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -22.611 0.852 -0.089 1.00 0.00 O ATOM 0 H GLU A 72 -17.505 2.050 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.896 2.496 1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.551 0.007 0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.966 -0.017 1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.783 1.273 -1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -20.586 -0.238 -1.177 1.00 0.00 H new ATOM 1074 N ARG A 73 -17.241 2.451 2.632 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.513 2.480 3.904 1.00 0.00 C ATOM 1076 C ARG A 73 -15.663 1.221 4.090 1.00 0.00 C ATOM 1077 O ARG A 73 -15.078 1.008 5.150 1.00 0.00 O ATOM 1078 CB ARG A 73 -17.477 2.649 5.091 1.00 0.00 C ATOM 1079 CG ARG A 73 -16.855 3.372 6.278 1.00 0.00 C ATOM 1080 CD ARG A 73 -16.789 4.872 6.040 1.00 0.00 C ATOM 1081 NE ARG A 73 -15.633 5.480 6.691 1.00 0.00 N ATOM 1082 CZ ARG A 73 -15.644 6.671 7.286 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -16.778 7.332 7.473 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -14.502 7.194 7.709 1.00 0.00 N ATOM 0 H ARG A 73 -16.865 3.093 1.935 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.845 3.341 3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.356 3.201 4.759 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.820 1.666 5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.439 3.170 7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.851 2.986 6.456 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.746 5.067 4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.701 5.338 6.412 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.757 4.957 6.690 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.661 6.929 7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.768 8.243 7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.628 6.685 7.577 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.497 8.106 8.166 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.588 0.396 3.051 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.791 -0.825 3.103 1.00 0.00 C ATOM 1100 C ASN A 74 -13.317 -0.468 3.067 1.00 0.00 C ATOM 1101 O ASN A 74 -12.887 0.341 2.247 1.00 0.00 O ATOM 1102 CB ASN A 74 -15.128 -1.769 1.944 1.00 0.00 C ATOM 1103 CG ASN A 74 -16.535 -2.336 2.026 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -17.046 -2.509 3.234 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 -17.159 -2.625 1.004 1.00 0.00 N flip ATOM 0 H ASN A 74 -16.068 0.550 2.164 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.025 -1.345 4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.013 -1.233 1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.412 -2.591 1.933 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.734 -2.478 0.088 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -18.101 -3.011 1.073 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.548 -1.064 3.956 1.00 0.00 N ATOM 1113 CA ARG A 75 -11.151 -0.701 4.094 1.00 0.00 C ATOM 1114 C ARG A 75 -10.243 -1.847 3.688 1.00 0.00 C ATOM 1115 O ARG A 75 -10.483 -3.001 4.036 1.00 0.00 O ATOM 1116 CB ARG A 75 -10.856 -0.287 5.532 1.00 0.00 C ATOM 1117 CG ARG A 75 -11.616 0.952 5.966 1.00 0.00 C ATOM 1118 CD ARG A 75 -11.346 1.284 7.420 1.00 0.00 C ATOM 1119 NE ARG A 75 -11.938 2.559 7.801 1.00 0.00 N ATOM 1120 CZ ARG A 75 -11.951 3.035 9.040 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -11.489 2.308 10.050 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -12.457 4.236 9.260 1.00 0.00 N ATOM 0 H ARG A 75 -12.864 -1.798 4.590 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.954 0.140 3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.107 -1.112 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.787 -0.105 5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.328 1.796 5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.685 0.796 5.819 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.746 0.493 8.054 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.270 1.317 7.592 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.370 3.122 7.069 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.119 1.373 9.878 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.504 2.684 10.998 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.830 4.782 8.484 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.475 4.616 10.206 1.00 0.00 H new ATOM 1136 N TYR A 76 -9.210 -1.517 2.938 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.199 -2.484 2.556 1.00 0.00 C ATOM 1138 C TYR A 76 -6.821 -1.920 2.866 1.00 0.00 C ATOM 1139 O TYR A 76 -6.531 -0.761 2.558 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.300 -2.818 1.062 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.656 -3.337 0.628 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -9.987 -4.680 0.769 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -10.601 -2.485 0.066 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -11.222 -5.157 0.371 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -11.836 -2.957 -0.336 1.00 0.00 C ATOM 1146 CZ TYR A 76 -12.140 -4.294 -0.183 1.00 0.00 C ATOM 1147 OH TYR A 76 -13.368 -4.766 -0.591 1.00 0.00 O ATOM 0 H TYR A 76 -9.048 -0.577 2.578 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.359 -3.401 3.123 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.065 -1.923 0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.543 -3.563 0.817 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.267 -5.362 1.197 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.366 -1.438 -0.058 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.465 -6.202 0.494 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.560 -2.282 -0.768 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.586 -4.393 -1.470 1.00 0.00 H new ATOM 1157 N CYS A 77 -5.986 -2.721 3.498 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.622 -2.315 3.780 1.00 0.00 C ATOM 1159 C CYS A 77 -3.688 -3.005 2.800 1.00 0.00 C ATOM 1160 O CYS A 77 -3.755 -4.222 2.609 1.00 0.00 O ATOM 1161 CB CYS A 77 -4.240 -2.643 5.224 1.00 0.00 C ATOM 1162 SG CYS A 77 -2.702 -1.861 5.773 1.00 0.00 S ATOM 0 H CYS A 77 -6.227 -3.656 3.826 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.536 -1.235 3.661 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.050 -2.331 5.883 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.143 -3.724 5.327 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.403 -0.881 4.972 1.00 0.00 H new ATOM 1168 N LEU A 78 -2.827 -2.229 2.172 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.000 -2.726 1.091 1.00 0.00 C ATOM 1170 C LEU A 78 -0.522 -2.622 1.429 1.00 0.00 C ATOM 1171 O LEU A 78 -0.034 -1.566 1.831 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.298 -1.943 -0.189 1.00 0.00 C ATOM 1173 CG LEU A 78 -3.769 -1.932 -0.612 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -3.967 -1.043 -1.829 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.259 -3.343 -0.898 1.00 0.00 C ATOM 0 H LEU A 78 -2.682 -1.244 2.394 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.236 -3.779 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.967 -0.913 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.705 -2.364 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.357 -1.527 0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.019 -1.047 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.660 -0.025 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.364 -1.419 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.307 -3.311 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.666 -3.778 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.156 -3.953 -0.000 1.00 0.00 H new ATOM 1187 N GLU A 79 0.175 -3.730 1.265 1.00 0.00 N ATOM 1188 CA GLU A 79 1.616 -3.772 1.411 1.00 0.00 C ATOM 1189 C GLU A 79 2.247 -3.574 0.041 1.00 0.00 C ATOM 1190 O GLU A 79 2.309 -4.503 -0.770 1.00 0.00 O ATOM 1191 CB GLU A 79 2.039 -5.116 2.021 1.00 0.00 C ATOM 1192 CG GLU A 79 3.537 -5.274 2.234 1.00 0.00 C ATOM 1193 CD GLU A 79 3.889 -6.594 2.896 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.971 -7.619 2.184 1.00 0.00 O ATOM 1195 OE2 GLU A 79 4.081 -6.612 4.131 1.00 0.00 O ATOM 0 H GLU A 79 -0.244 -4.629 1.026 1.00 0.00 H new ATOM 0 HA GLU A 79 1.953 -2.979 2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.535 -5.239 2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.691 -5.920 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.048 -5.204 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.903 -4.452 2.850 1.00 0.00 H new ATOM 1202 N LEU A 80 2.661 -2.349 -0.236 1.00 0.00 N ATOM 1203 CA LEU A 80 3.228 -2.020 -1.529 1.00 0.00 C ATOM 1204 C LEU A 80 4.690 -2.435 -1.574 1.00 0.00 C ATOM 1205 O LEU A 80 5.493 -2.010 -0.741 1.00 0.00 O ATOM 1206 CB LEU A 80 3.081 -0.524 -1.818 1.00 0.00 C ATOM 1207 CG LEU A 80 3.523 -0.081 -3.215 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.732 -0.815 -4.287 1.00 0.00 C ATOM 1209 CD2 LEU A 80 3.356 1.422 -3.366 1.00 0.00 C ATOM 0 H LEU A 80 2.614 -1.568 0.418 1.00 0.00 H new ATOM 0 HA LEU A 80 2.685 -2.567 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.036 -0.245 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.659 0.031 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 80 4.577 -0.330 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.062 -0.485 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.896 -1.888 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.670 -0.598 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.674 1.725 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.309 1.688 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.966 1.933 -2.620 1.00 0.00 H new ATOM 1221 N THR A 81 5.012 -3.287 -2.533 1.00 0.00 N ATOM 1222 CA THR A 81 6.363 -3.797 -2.701 1.00 0.00 C ATOM 1223 C THR A 81 6.685 -3.934 -4.180 1.00 0.00 C ATOM 1224 O THR A 81 5.879 -3.559 -5.031 1.00 0.00 O ATOM 1225 CB THR A 81 6.524 -5.171 -2.018 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.373 -5.984 -2.288 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.710 -5.025 -0.515 1.00 0.00 C ATOM 0 H THR A 81 4.345 -3.645 -3.217 1.00 0.00 H new ATOM 0 HA THR A 81 7.051 -3.091 -2.236 1.00 0.00 H new ATOM 0 HB THR A 81 7.416 -5.648 -2.424 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.480 -6.856 -1.854 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.820 -6.011 -0.065 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.603 -4.433 -0.315 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.840 -4.526 -0.087 1.00 0.00 H new ATOM 1235 N GLU A 82 7.849 -4.487 -4.490 1.00 0.00 N ATOM 1236 CA GLU A 82 8.231 -4.723 -5.876 1.00 0.00 C ATOM 1237 C GLU A 82 7.379 -5.828 -6.497 1.00 0.00 C ATOM 1238 O GLU A 82 7.371 -6.010 -7.715 1.00 0.00 O ATOM 1239 CB GLU A 82 9.726 -5.058 -5.984 1.00 0.00 C ATOM 1240 CG GLU A 82 10.281 -5.900 -4.837 1.00 0.00 C ATOM 1241 CD GLU A 82 9.543 -7.205 -4.630 1.00 0.00 C ATOM 1242 OE1 GLU A 82 9.633 -8.095 -5.503 1.00 0.00 O ATOM 1243 OE2 GLU A 82 8.850 -7.335 -3.600 1.00 0.00 O ATOM 0 H GLU A 82 8.544 -4.780 -3.803 1.00 0.00 H new ATOM 0 HA GLU A 82 8.050 -3.805 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.898 -5.588 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.289 -4.126 -6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.332 -6.114 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.238 -5.318 -3.916 1.00 0.00 H new ATOM 1250 N ALA A 83 6.667 -6.567 -5.651 1.00 0.00 N ATOM 1251 CA ALA A 83 5.772 -7.622 -6.111 1.00 0.00 C ATOM 1252 C ALA A 83 4.409 -7.047 -6.468 1.00 0.00 C ATOM 1253 O ALA A 83 3.522 -7.764 -6.932 1.00 0.00 O ATOM 1254 CB ALA A 83 5.628 -8.700 -5.048 1.00 0.00 C ATOM 0 H ALA A 83 6.694 -6.453 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 83 6.204 -8.072 -7.005 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.956 -9.479 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.605 -9.133 -4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.219 -8.261 -4.138 1.00 0.00 H new ATOM 1260 N GLY A 84 4.250 -5.753 -6.244 1.00 0.00 N ATOM 1261 CA GLY A 84 3.008 -5.092 -6.564 1.00 0.00 C ATOM 1262 C GLY A 84 2.237 -4.712 -5.321 1.00 0.00 C ATOM 1263 O GLY A 84 2.831 -4.398 -4.284 1.00 0.00 O ATOM 0 H GLY A 84 4.966 -5.147 -5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.214 -4.197 -7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.397 -5.748 -7.184 1.00 0.00 H new ATOM 1267 N LEU A 85 0.918 -4.745 -5.415 1.00 0.00 N ATOM 1268 CA LEU A 85 0.073 -4.383 -4.293 1.00 0.00 C ATOM 1269 C LEU A 85 -0.510 -5.633 -3.654 1.00 0.00 C ATOM 1270 O LEU A 85 -1.298 -6.353 -4.271 1.00 0.00 O ATOM 1271 CB LEU A 85 -1.046 -3.425 -4.723 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.589 -2.032 -5.175 1.00 0.00 C ATOM 1273 CD1 LEU A 85 -0.014 -2.071 -6.583 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -1.740 -1.043 -5.097 1.00 0.00 C ATOM 0 H LEU A 85 0.411 -5.019 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 85 0.688 -3.864 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.602 -3.887 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.739 -3.308 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 85 0.200 -1.702 -4.500 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.301 -1.069 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.844 -2.743 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.775 -2.429 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.398 -0.060 -5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.551 -1.377 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.098 -0.982 -4.069 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.111 -5.883 -2.420 1.00 0.00 N ATOM 1287 CA LYS A 86 -0.512 -7.080 -1.698 1.00 0.00 C ATOM 1288 C LYS A 86 -1.418 -6.720 -0.528 1.00 0.00 C ATOM 1289 O LYS A 86 -0.988 -6.068 0.415 1.00 0.00 O ATOM 1290 CB LYS A 86 0.748 -7.796 -1.199 1.00 0.00 C ATOM 1291 CG LYS A 86 0.509 -8.850 -0.131 1.00 0.00 C ATOM 1292 CD LYS A 86 1.826 -9.285 0.486 1.00 0.00 C ATOM 1293 CE LYS A 86 1.625 -10.005 1.807 1.00 0.00 C ATOM 1294 NZ LYS A 86 2.904 -10.147 2.550 1.00 0.00 N ATOM 0 H LYS A 86 0.500 -5.263 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.071 -7.739 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.240 -8.268 -2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.439 -7.051 -0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.148 -8.451 0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.002 -9.711 -0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.352 -9.941 -0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.459 -8.412 0.642 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.908 -9.455 2.417 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.198 -10.991 1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.704 -10.355 3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.460 -10.924 2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.445 -9.261 2.482 1.00 0.00 H new ATOM 1308 N VAL A 87 -2.677 -7.125 -0.600 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.611 -6.862 0.484 1.00 0.00 C ATOM 1310 C VAL A 87 -3.193 -7.639 1.733 1.00 0.00 C ATOM 1311 O VAL A 87 -3.020 -8.854 1.694 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.072 -7.206 0.085 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -5.181 -8.626 -0.449 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -6.022 -6.998 1.260 1.00 0.00 C ATOM 0 H VAL A 87 -3.073 -7.633 -1.391 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.581 -5.794 0.701 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.363 -6.525 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.216 -8.835 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.548 -8.733 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.857 -9.329 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.038 -7.246 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.724 -7.643 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.983 -5.957 1.580 1.00 0.00 H new ATOM 1324 N VAL A 88 -2.993 -6.919 2.827 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.534 -7.522 4.073 1.00 0.00 C ATOM 1326 C VAL A 88 -3.543 -7.320 5.193 1.00 0.00 C ATOM 1327 O VAL A 88 -3.297 -7.689 6.343 1.00 0.00 O ATOM 1328 CB VAL A 88 -1.173 -6.943 4.507 1.00 0.00 C ATOM 1329 CG1 VAL A 88 -0.056 -7.490 3.635 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.196 -5.420 4.449 1.00 0.00 C ATOM 0 H VAL A 88 -3.142 -5.911 2.878 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.424 -8.590 3.884 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.986 -7.247 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.896 -7.069 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.022 -8.576 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.240 -7.218 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.227 -5.029 4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.408 -5.098 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.970 -5.042 5.117 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.682 -6.737 4.854 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.711 -6.516 5.843 1.00 0.00 C ATOM 1342 C GLY A 89 -6.959 -5.902 5.252 1.00 0.00 C ATOM 1343 O GLY A 89 -6.916 -5.306 4.176 1.00 0.00 O ATOM 0 H GLY A 89 -4.910 -6.414 3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.966 -7.464 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.324 -5.863 6.626 1.00 0.00 H new ATOM 1347 N TYR A 90 -8.064 -6.042 5.964 1.00 0.00 N ATOM 1348 CA TYR A 90 -9.348 -5.517 5.521 1.00 0.00 C ATOM 1349 C TYR A 90 -9.895 -4.533 6.548 1.00 0.00 C ATOM 1350 O TYR A 90 -11.105 -4.361 6.691 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.336 -6.666 5.277 1.00 0.00 C ATOM 1352 CG TYR A 90 -10.135 -7.859 6.190 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -10.769 -7.940 7.426 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -9.301 -8.907 5.811 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -10.577 -9.031 8.256 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -9.107 -9.998 6.633 1.00 0.00 C ATOM 1357 CZ TYR A 90 -9.744 -10.057 7.854 1.00 0.00 C ATOM 1358 OH TYR A 90 -9.545 -11.144 8.679 1.00 0.00 O ATOM 0 H TYR A 90 -8.099 -6.521 6.864 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.209 -4.985 4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.351 -6.291 5.405 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.246 -6.995 4.242 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.421 -7.139 7.743 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.797 -8.865 4.857 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.076 -9.080 9.213 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.458 -10.803 6.321 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.933 -11.775 8.246 1.00 0.00 H new ATOM 1368 N ALA A 91 -8.980 -3.880 7.248 1.00 0.00 N ATOM 1369 CA ALA A 91 -9.327 -2.866 8.230 1.00 0.00 C ATOM 1370 C ALA A 91 -8.244 -1.797 8.259 1.00 0.00 C ATOM 1371 O ALA A 91 -7.160 -1.996 7.705 1.00 0.00 O ATOM 1372 CB ALA A 91 -9.511 -3.488 9.607 1.00 0.00 C ATOM 0 H ALA A 91 -7.977 -4.038 7.151 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.273 -2.405 7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.770 -2.711 10.326 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.311 -4.228 9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.584 -3.972 9.914 1.00 0.00 H new ATOM 1378 N PHE A 92 -8.530 -0.673 8.903 1.00 0.00 N ATOM 1379 CA PHE A 92 -7.600 0.450 8.920 1.00 0.00 C ATOM 1380 C PHE A 92 -6.361 0.118 9.745 1.00 0.00 C ATOM 1381 O PHE A 92 -6.452 -0.116 10.952 1.00 0.00 O ATOM 1382 CB PHE A 92 -8.291 1.700 9.468 1.00 0.00 C ATOM 1383 CG PHE A 92 -7.475 2.951 9.336 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -7.054 3.392 8.093 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -7.140 3.691 10.453 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -6.311 4.548 7.970 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -6.395 4.846 10.336 1.00 0.00 C ATOM 1388 CZ PHE A 92 -5.982 5.277 9.092 1.00 0.00 C ATOM 0 H PHE A 92 -9.395 -0.514 9.419 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.281 0.647 7.897 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -9.238 1.838 8.946 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.527 1.541 10.520 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.310 2.825 7.210 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.465 3.362 11.429 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.987 4.881 6.995 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.135 5.413 11.218 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.402 6.183 8.998 1.00 0.00 H new ATOM 1398 N ASP A 93 -5.210 0.097 9.070 1.00 0.00 N ATOM 1399 CA ASP A 93 -3.920 -0.237 9.691 1.00 0.00 C ATOM 1400 C ASP A 93 -3.904 -1.687 10.167 1.00 0.00 C ATOM 1401 O ASP A 93 -3.238 -2.027 11.146 1.00 0.00 O ATOM 1402 CB ASP A 93 -3.589 0.691 10.867 1.00 0.00 C ATOM 1403 CG ASP A 93 -3.402 2.139 10.461 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -2.758 2.401 9.426 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -3.886 3.026 11.198 1.00 0.00 O ATOM 0 H ASP A 93 -5.143 0.311 8.075 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.158 -0.099 8.924 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.389 0.629 11.604 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.680 0.338 11.353 1.00 0.00 H new ATOM 1410 N GLN A 94 -4.637 -2.535 9.461 1.00 0.00 N ATOM 1411 CA GLN A 94 -4.694 -3.952 9.778 1.00 0.00 C ATOM 1412 C GLN A 94 -3.763 -4.734 8.862 1.00 0.00 C ATOM 1413 O GLN A 94 -3.991 -4.815 7.658 1.00 0.00 O ATOM 1414 CB GLN A 94 -6.129 -4.467 9.637 1.00 0.00 C ATOM 1415 CG GLN A 94 -6.280 -5.985 9.716 1.00 0.00 C ATOM 1416 CD GLN A 94 -6.090 -6.565 11.112 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -5.223 -5.968 11.913 1.00 0.00 O flip ATOM 1418 NE2 GLN A 94 -6.714 -7.567 11.461 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.204 -2.262 8.659 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.370 -4.093 10.809 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.740 -4.015 10.418 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.529 -4.126 8.682 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.271 -6.259 9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.557 -6.445 9.043 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.376 -8.005 10.820 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.569 -7.960 12.391 1.00 0.00 H new ATOM 1427 N VAL A 95 -2.709 -5.289 9.439 1.00 0.00 N ATOM 1428 CA VAL A 95 -1.765 -6.103 8.688 1.00 0.00 C ATOM 1429 C VAL A 95 -1.489 -7.402 9.428 1.00 0.00 C ATOM 1430 O VAL A 95 -0.957 -7.395 10.540 1.00 0.00 O ATOM 1431 CB VAL A 95 -0.433 -5.361 8.444 1.00 0.00 C ATOM 1432 CG1 VAL A 95 0.574 -6.264 7.745 1.00 0.00 C ATOM 1433 CG2 VAL A 95 -0.668 -4.102 7.629 1.00 0.00 C ATOM 0 H VAL A 95 -2.485 -5.190 10.429 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.218 -6.316 7.720 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.021 -5.079 9.413 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.503 -5.717 7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.770 -7.139 8.365 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.171 -6.583 6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.281 -3.591 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.107 -4.368 6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.348 -3.442 8.168 1.00 0.00 H new ATOM 1443 N ASP A 96 -1.870 -8.510 8.815 1.00 0.00 N ATOM 1444 CA ASP A 96 -1.648 -9.819 9.408 1.00 0.00 C ATOM 1445 C ASP A 96 -0.531 -10.550 8.674 1.00 0.00 C ATOM 1446 O ASP A 96 -0.470 -10.541 7.445 1.00 0.00 O ATOM 1447 CB ASP A 96 -2.933 -10.645 9.381 1.00 0.00 C ATOM 1448 CG ASP A 96 -2.786 -11.948 10.132 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -2.854 -11.930 11.380 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -2.593 -12.994 9.483 1.00 0.00 O ATOM 0 H ASP A 96 -2.334 -8.530 7.907 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.350 -9.681 10.447 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.746 -10.065 9.818 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.209 -10.852 8.347 1.00 0.00 H new ATOM 1455 N ASP A 97 0.346 -11.191 9.434 1.00 0.00 N ATOM 1456 CA ASP A 97 1.536 -11.829 8.876 1.00 0.00 C ATOM 1457 C ASP A 97 1.209 -13.209 8.302 1.00 0.00 C ATOM 1458 O ASP A 97 2.024 -13.818 7.610 1.00 0.00 O ATOM 1459 CB ASP A 97 2.615 -11.934 9.964 1.00 0.00 C ATOM 1460 CG ASP A 97 3.936 -12.498 9.465 1.00 0.00 C ATOM 1461 OD1 ASP A 97 4.717 -11.749 8.834 1.00 0.00 O ATOM 1462 OD2 ASP A 97 4.218 -13.685 9.740 1.00 0.00 O ATOM 0 H ASP A 97 0.257 -11.285 10.446 1.00 0.00 H new ATOM 0 HA ASP A 97 1.910 -11.217 8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.789 -10.944 10.386 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.243 -12.564 10.772 1.00 0.00 H new ATOM 1467 N HIS A 98 0.004 -13.695 8.573 1.00 0.00 N ATOM 1468 CA HIS A 98 -0.403 -15.013 8.100 1.00 0.00 C ATOM 1469 C HIS A 98 -1.356 -14.926 6.913 1.00 0.00 C ATOM 1470 O HIS A 98 -1.823 -15.950 6.411 1.00 0.00 O ATOM 1471 CB HIS A 98 -1.055 -15.818 9.224 1.00 0.00 C ATOM 1472 CG HIS A 98 -0.085 -16.634 10.016 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -0.162 -18.005 10.110 1.00 0.00 N ATOM 1474 CD2 HIS A 98 0.989 -16.268 10.747 1.00 0.00 C ATOM 1475 CE1 HIS A 98 0.820 -18.446 10.869 1.00 0.00 C ATOM 1476 NE2 HIS A 98 1.535 -17.413 11.270 1.00 0.00 N ATOM 0 H HIS A 98 -0.705 -13.200 9.114 1.00 0.00 H new ATOM 0 HA HIS A 98 0.503 -15.522 7.770 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.575 -15.134 9.895 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -1.809 -16.479 8.796 1.00 0.00 H new ATOM 0 HD2 HIS A 98 1.351 -15.261 10.893 1.00 0.00 H new ATOM 0 HE1 HIS A 98 1.008 -19.479 11.121 1.00 0.00 H new ATOM 0 HE2 HIS A 98 2.358 -17.458 11.870 1.00 0.00 H new ATOM 1485 N LEU A 99 -1.653 -13.719 6.462 1.00 0.00 N ATOM 1486 CA LEU A 99 -2.528 -13.551 5.311 1.00 0.00 C ATOM 1487 C LEU A 99 -1.794 -13.867 4.019 1.00 0.00 C ATOM 1488 O LEU A 99 -0.872 -13.161 3.618 1.00 0.00 O ATOM 1489 CB LEU A 99 -3.125 -12.145 5.253 1.00 0.00 C ATOM 1490 CG LEU A 99 -4.284 -11.897 6.222 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -4.889 -10.525 5.987 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -5.348 -12.977 6.073 1.00 0.00 C ATOM 0 H LEU A 99 -1.307 -12.850 6.868 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.350 -14.258 5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.336 -11.422 5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.472 -11.955 4.237 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.894 -11.935 7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.711 -10.366 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.128 -9.760 6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.263 -10.462 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.163 -12.783 6.770 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.733 -12.970 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.910 -13.951 6.289 1.00 0.00 H new ATOM 1504 N GLN A 100 -2.221 -14.944 3.381 1.00 0.00 N ATOM 1505 CA GLN A 100 -1.650 -15.380 2.112 1.00 0.00 C ATOM 1506 C GLN A 100 -2.462 -14.824 0.949 1.00 0.00 C ATOM 1507 O GLN A 100 -2.546 -15.429 -0.122 1.00 0.00 O ATOM 1508 CB GLN A 100 -1.589 -16.915 2.058 1.00 0.00 C ATOM 1509 CG GLN A 100 -2.644 -17.619 2.908 1.00 0.00 C ATOM 1510 CD GLN A 100 -4.057 -17.512 2.356 1.00 0.00 C ATOM 1511 OE1 GLN A 100 -4.187 -17.491 1.040 1.00 0.00 O flip ATOM 1512 NE2 GLN A 100 -5.024 -17.464 3.111 1.00 0.00 N flip ATOM 0 H GLN A 100 -2.972 -15.542 3.725 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.633 -14.996 2.030 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.702 -17.235 1.022 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.601 -17.239 2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.379 -18.672 2.998 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.625 -17.199 3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.884 -17.482 4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.968 -17.406 2.728 1.00 0.00 H new ATOM 1521 N THR A 101 -3.042 -13.655 1.180 1.00 0.00 N ATOM 1522 CA THR A 101 -3.878 -12.983 0.204 1.00 0.00 C ATOM 1523 C THR A 101 -3.071 -12.543 -1.024 1.00 0.00 C ATOM 1524 O THR A 101 -1.991 -11.959 -0.900 1.00 0.00 O ATOM 1525 CB THR A 101 -4.565 -11.779 0.865 1.00 0.00 C ATOM 1526 OG1 THR A 101 -3.766 -11.330 1.970 1.00 0.00 O ATOM 1527 CG2 THR A 101 -5.953 -12.150 1.366 1.00 0.00 C ATOM 0 H THR A 101 -2.943 -13.145 2.058 1.00 0.00 H new ATOM 0 HA THR A 101 -4.635 -13.685 -0.146 1.00 0.00 H new ATOM 0 HB THR A 101 -4.667 -10.986 0.124 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.835 -10.356 2.049 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.417 -11.280 1.830 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.565 -12.484 0.528 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.873 -12.952 2.100 1.00 0.00 H new ATOM 1535 N PRO A 102 -3.600 -12.828 -2.228 1.00 0.00 N ATOM 1536 CA PRO A 102 -2.889 -12.601 -3.494 1.00 0.00 C ATOM 1537 C PRO A 102 -2.589 -11.129 -3.782 1.00 0.00 C ATOM 1538 O PRO A 102 -3.434 -10.250 -3.595 1.00 0.00 O ATOM 1539 CB PRO A 102 -3.847 -13.166 -4.550 1.00 0.00 C ATOM 1540 CG PRO A 102 -5.190 -13.146 -3.903 1.00 0.00 C ATOM 1541 CD PRO A 102 -4.941 -13.397 -2.443 1.00 0.00 C ATOM 0 HA PRO A 102 -1.907 -13.074 -3.477 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.837 -12.561 -5.456 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.563 -14.178 -4.839 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.684 -12.187 -4.057 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.840 -13.911 -4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.690 -12.911 -1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.970 -14.461 -2.207 1.00 0.00 H new ATOM 1549 N TYR A 103 -1.373 -10.877 -4.252 1.00 0.00 N ATOM 1550 CA TYR A 103 -0.960 -9.541 -4.659 1.00 0.00 C ATOM 1551 C TYR A 103 -1.220 -9.330 -6.145 1.00 0.00 C ATOM 1552 O TYR A 103 -1.080 -10.254 -6.947 1.00 0.00 O ATOM 1553 CB TYR A 103 0.522 -9.307 -4.338 1.00 0.00 C ATOM 1554 CG TYR A 103 1.401 -10.532 -4.490 1.00 0.00 C ATOM 1555 CD1 TYR A 103 1.668 -11.083 -5.738 1.00 0.00 C ATOM 1556 CD2 TYR A 103 1.969 -11.136 -3.375 1.00 0.00 C ATOM 1557 CE1 TYR A 103 2.472 -12.198 -5.869 1.00 0.00 C ATOM 1558 CE2 TYR A 103 2.776 -12.250 -3.498 1.00 0.00 C ATOM 1559 CZ TYR A 103 3.021 -12.779 -4.747 1.00 0.00 C ATOM 1560 OH TYR A 103 3.826 -13.889 -4.874 1.00 0.00 O ATOM 0 H TYR A 103 -0.650 -11.588 -4.361 1.00 0.00 H new ATOM 0 HA TYR A 103 -1.551 -8.818 -4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 103 0.902 -8.520 -4.990 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.605 -8.941 -3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.239 -10.631 -6.620 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.776 -10.727 -2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.670 -12.613 -6.846 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.213 -12.704 -2.621 1.00 0.00 H new ATOM 0 HH TYR A 103 4.133 -14.174 -3.988 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.601 -8.113 -6.504 1.00 0.00 N ATOM 1571 CA HIS A 104 -1.913 -7.786 -7.891 1.00 0.00 C ATOM 1572 C HIS A 104 -0.803 -6.942 -8.506 1.00 0.00 C ATOM 1573 O HIS A 104 0.084 -6.462 -7.798 1.00 0.00 O ATOM 1574 CB HIS A 104 -3.258 -7.053 -7.986 1.00 0.00 C ATOM 1575 CG HIS A 104 -4.452 -7.927 -7.718 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -5.582 -7.922 -8.510 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -4.701 -8.817 -6.725 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -6.467 -8.769 -8.018 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -5.958 -9.324 -6.936 1.00 0.00 N ATOM 0 H HIS A 104 -1.702 -7.333 -5.854 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.989 -8.718 -8.451 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -3.260 -6.226 -7.276 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.354 -6.620 -8.981 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -5.713 -7.352 -9.346 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.033 -9.078 -5.918 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -7.443 -8.973 -8.432 1.00 0.00 H new ATOM 1588 N GLU A 105 -0.860 -6.772 -9.823 1.00 0.00 N ATOM 1589 CA GLU A 105 0.163 -6.039 -10.560 1.00 0.00 C ATOM 1590 C GLU A 105 0.108 -4.548 -10.232 1.00 0.00 C ATOM 1591 O GLU A 105 1.043 -3.993 -9.655 1.00 0.00 O ATOM 1592 CB GLU A 105 -0.030 -6.265 -12.066 1.00 0.00 C ATOM 1593 CG GLU A 105 0.970 -5.534 -12.951 1.00 0.00 C ATOM 1594 CD GLU A 105 2.395 -6.006 -12.747 1.00 0.00 C ATOM 1595 OE1 GLU A 105 2.669 -7.203 -12.977 1.00 0.00 O ATOM 1596 OE2 GLU A 105 3.253 -5.173 -12.383 1.00 0.00 O ATOM 0 H GLU A 105 -1.613 -7.136 -10.407 1.00 0.00 H new ATOM 0 HA GLU A 105 1.144 -6.410 -10.263 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.037 -7.333 -12.271 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -1.037 -5.950 -12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.693 -5.674 -13.996 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.914 -4.465 -12.747 1.00 0.00 H new ATOM 1603 N THR A 106 -0.997 -3.910 -10.588 1.00 0.00 N ATOM 1604 CA THR A 106 -1.147 -2.482 -10.370 1.00 0.00 C ATOM 1605 C THR A 106 -2.312 -2.197 -9.432 1.00 0.00 C ATOM 1606 O THR A 106 -3.030 -3.114 -9.021 1.00 0.00 O ATOM 1607 CB THR A 106 -1.388 -1.728 -11.692 1.00 0.00 C ATOM 1608 OG1 THR A 106 -2.595 -2.192 -12.309 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.216 -1.904 -12.649 1.00 0.00 C ATOM 0 H THR A 106 -1.800 -4.359 -11.028 1.00 0.00 H new ATOM 0 HA THR A 106 -0.216 -2.133 -9.924 1.00 0.00 H new ATOM 0 HB THR A 106 -1.483 -0.667 -11.462 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.741 -1.706 -13.148 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.416 -1.361 -13.573 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.692 -1.515 -12.188 1.00 0.00 H new ATOM 0 HG23 THR A 106 -0.084 -2.963 -12.872 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.499 -0.923 -9.106 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.620 -0.502 -8.280 1.00 0.00 C ATOM 1619 C VAL A 107 -4.928 -0.605 -9.066 1.00 0.00 C ATOM 1620 O VAL A 107 -5.995 -0.815 -8.492 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.428 0.942 -7.757 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -3.330 1.935 -8.908 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.552 1.331 -6.806 1.00 0.00 C ATOM 0 H VAL A 107 -1.886 -0.164 -9.403 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.666 -1.169 -7.419 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.489 0.972 -7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.196 2.941 -8.510 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.479 1.678 -9.539 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.245 1.898 -9.499 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.393 2.350 -6.453 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.507 1.272 -7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.561 0.649 -5.955 1.00 0.00 H new ATOM 1633 N TYR A 108 -4.827 -0.493 -10.387 1.00 0.00 N ATOM 1634 CA TYR A 108 -5.993 -0.571 -11.259 1.00 0.00 C ATOM 1635 C TYR A 108 -6.616 -1.959 -11.198 1.00 0.00 C ATOM 1636 O TYR A 108 -7.770 -2.108 -10.807 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.613 -0.225 -12.699 1.00 0.00 C ATOM 1638 CG TYR A 108 -5.328 1.247 -12.914 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -4.058 1.770 -12.707 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -6.338 2.110 -13.317 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -3.804 3.116 -12.897 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -6.091 3.454 -13.512 1.00 0.00 C ATOM 1643 CZ TYR A 108 -4.824 3.952 -13.299 1.00 0.00 C ATOM 1644 OH TYR A 108 -4.574 5.292 -13.486 1.00 0.00 O ATOM 0 H TYR A 108 -3.945 -0.347 -10.878 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.727 0.155 -10.910 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.733 -0.802 -12.982 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -6.422 -0.531 -13.363 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.258 1.116 -12.393 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -7.333 1.724 -13.481 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.812 3.510 -12.731 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -6.887 4.112 -13.830 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.397 5.742 -13.770 1.00 0.00 H new ATOM 1654 N SER A 109 -5.832 -2.974 -11.540 1.00 0.00 N ATOM 1655 CA SER A 109 -6.318 -4.352 -11.547 1.00 0.00 C ATOM 1656 C SER A 109 -6.577 -4.868 -10.127 1.00 0.00 C ATOM 1657 O SER A 109 -7.048 -5.990 -9.941 1.00 0.00 O ATOM 1658 CB SER A 109 -5.309 -5.256 -12.254 1.00 0.00 C ATOM 1659 OG SER A 109 -5.025 -4.788 -13.564 1.00 0.00 O ATOM 0 H SER A 109 -4.856 -2.871 -11.817 1.00 0.00 H new ATOM 0 HA SER A 109 -7.265 -4.369 -12.086 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.387 -5.299 -11.673 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.701 -6.272 -12.306 1.00 0.00 H new ATOM 0 HG SER A 109 -4.376 -5.385 -13.991 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.253 -4.057 -9.128 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.511 -4.413 -7.743 1.00 0.00 C ATOM 1667 C LEU A 110 -7.817 -3.794 -7.259 1.00 0.00 C ATOM 1668 O LEU A 110 -8.757 -4.501 -6.895 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.359 -3.958 -6.847 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.564 -4.211 -5.353 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.565 -5.700 -5.050 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.497 -3.502 -4.544 1.00 0.00 C ATOM 0 H LEU A 110 -5.810 -3.147 -9.254 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.596 -5.498 -7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.449 -4.466 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.198 -2.891 -7.001 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.537 -3.809 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.712 -5.854 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.372 -6.183 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.611 -6.133 -5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.658 -3.693 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.514 -3.873 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.550 -2.430 -4.732 1.00 0.00 H new ATOM 1684 N LEU A 111 -7.877 -2.468 -7.284 1.00 0.00 N ATOM 1685 CA LEU A 111 -9.000 -1.730 -6.717 1.00 0.00 C ATOM 1686 C LEU A 111 -10.270 -1.942 -7.540 1.00 0.00 C ATOM 1687 O LEU A 111 -11.379 -1.779 -7.033 1.00 0.00 O ATOM 1688 CB LEU A 111 -8.654 -0.238 -6.632 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.554 0.603 -5.720 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.439 0.146 -4.270 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -9.191 2.078 -5.835 1.00 0.00 C ATOM 0 H LEU A 111 -7.154 -1.877 -7.695 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.189 -2.108 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.625 -0.142 -6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.692 0.183 -7.637 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.586 0.466 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.087 0.758 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.741 -0.899 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.407 0.251 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.838 2.664 -5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.152 2.221 -5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.323 2.406 -6.866 1.00 0.00 H new ATOM 1703 N ASP A 112 -10.097 -2.364 -8.791 1.00 0.00 N ATOM 1704 CA ASP A 112 -11.223 -2.609 -9.696 1.00 0.00 C ATOM 1705 C ASP A 112 -12.004 -3.811 -9.198 1.00 0.00 C ATOM 1706 O ASP A 112 -13.202 -3.956 -9.429 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.702 -2.859 -11.120 1.00 0.00 C ATOM 1708 CG ASP A 112 -11.798 -3.097 -12.141 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -12.297 -2.114 -12.723 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -12.151 -4.271 -12.389 1.00 0.00 O ATOM 0 H ASP A 112 -9.182 -2.545 -9.205 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.878 -1.738 -9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.106 -2.002 -11.434 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -10.037 -3.723 -11.107 1.00 0.00 H new ATOM 1715 N THR A 113 -11.294 -4.656 -8.479 1.00 0.00 N ATOM 1716 CA THR A 113 -11.856 -5.854 -7.907 1.00 0.00 C ATOM 1717 C THR A 113 -12.250 -5.618 -6.442 1.00 0.00 C ATOM 1718 O THR A 113 -13.090 -6.330 -5.888 1.00 0.00 O ATOM 1719 CB THR A 113 -10.837 -7.008 -8.059 1.00 0.00 C ATOM 1720 OG1 THR A 113 -11.242 -7.875 -9.124 1.00 0.00 O ATOM 1721 CG2 THR A 113 -10.650 -7.794 -6.772 1.00 0.00 C ATOM 0 H THR A 113 -10.303 -4.526 -8.276 1.00 0.00 H new ATOM 0 HA THR A 113 -12.768 -6.129 -8.436 1.00 0.00 H new ATOM 0 HB THR A 113 -9.871 -6.563 -8.297 1.00 0.00 H new ATOM 0 HG1 THR A 113 -10.593 -8.603 -9.218 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.925 -8.591 -6.935 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.288 -7.128 -5.989 1.00 0.00 H new ATOM 0 HG23 THR A 113 -11.603 -8.227 -6.468 1.00 0.00 H new ATOM 1729 N LEU A 114 -11.676 -4.581 -5.838 1.00 0.00 N ATOM 1730 CA LEU A 114 -11.918 -4.291 -4.428 1.00 0.00 C ATOM 1731 C LEU A 114 -13.192 -3.473 -4.242 1.00 0.00 C ATOM 1732 O LEU A 114 -13.859 -3.569 -3.206 1.00 0.00 O ATOM 1733 CB LEU A 114 -10.733 -3.540 -3.816 1.00 0.00 C ATOM 1734 CG LEU A 114 -9.405 -4.300 -3.806 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -8.314 -3.453 -3.169 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -9.545 -5.627 -3.073 1.00 0.00 C ATOM 0 H LEU A 114 -11.042 -3.930 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.039 -5.246 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.594 -2.608 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.986 -3.272 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.125 -4.510 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.376 -4.008 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.191 -2.531 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -8.593 -3.212 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.588 -6.149 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -9.851 -5.443 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.296 -6.240 -3.571 1.00 0.00 H new ATOM 1748 N SER A 115 -13.520 -2.664 -5.235 1.00 0.00 N ATOM 1749 CA SER A 115 -14.718 -1.847 -5.184 1.00 0.00 C ATOM 1750 C SER A 115 -15.328 -1.713 -6.572 1.00 0.00 C ATOM 1751 O SER A 115 -14.705 -1.167 -7.480 1.00 0.00 O ATOM 1752 CB SER A 115 -14.388 -0.465 -4.622 1.00 0.00 C ATOM 1753 OG SER A 115 -15.549 0.344 -4.521 1.00 0.00 O ATOM 0 H SER A 115 -12.971 -2.556 -6.088 1.00 0.00 H new ATOM 0 HA SER A 115 -15.442 -2.332 -4.529 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.930 -0.571 -3.639 1.00 0.00 H new ATOM 0 HB3 SER A 115 -13.656 0.025 -5.264 1.00 0.00 H new ATOM 0 HG SER A 115 -15.306 1.221 -4.157 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.549 -2.231 -6.758 1.00 0.00 N ATOM 1760 CA PRO A 116 -17.283 -2.087 -8.020 1.00 0.00 C ATOM 1761 C PRO A 116 -17.592 -0.622 -8.318 1.00 0.00 C ATOM 1762 O PRO A 116 -17.743 -0.227 -9.473 1.00 0.00 O ATOM 1763 CB PRO A 116 -18.577 -2.875 -7.785 1.00 0.00 C ATOM 1764 CG PRO A 116 -18.286 -3.763 -6.622 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.307 -3.011 -5.769 1.00 0.00 C ATOM 0 HA PRO A 116 -16.713 -2.450 -8.875 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -19.412 -2.207 -7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -18.850 -3.456 -8.666 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -19.196 -3.990 -6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -17.868 -4.714 -6.951 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.810 -2.369 -5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -16.662 -3.684 -5.204 1.00 0.00 H new ATOM 1773 N ALA A 117 -17.663 0.182 -7.259 1.00 0.00 N ATOM 1774 CA ALA A 117 -17.925 1.610 -7.388 1.00 0.00 C ATOM 1775 C ALA A 117 -16.765 2.306 -8.089 1.00 0.00 C ATOM 1776 O ALA A 117 -16.960 3.267 -8.834 1.00 0.00 O ATOM 1777 CB ALA A 117 -18.172 2.227 -6.021 1.00 0.00 C ATOM 0 H ALA A 117 -17.542 -0.136 -6.297 1.00 0.00 H new ATOM 0 HA ALA A 117 -18.820 1.745 -7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -18.366 3.294 -6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -19.034 1.748 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -17.293 2.082 -5.392 1.00 0.00 H new ATOM 1783 N TYR A 118 -15.558 1.797 -7.856 1.00 0.00 N ATOM 1784 CA TYR A 118 -14.361 2.305 -8.517 1.00 0.00 C ATOM 1785 C TYR A 118 -14.484 2.133 -10.026 1.00 0.00 C ATOM 1786 O TYR A 118 -14.096 3.007 -10.801 1.00 0.00 O ATOM 1787 CB TYR A 118 -13.124 1.563 -7.995 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.843 1.901 -8.725 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -11.209 3.121 -8.533 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -11.267 0.995 -9.604 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -10.037 3.427 -9.197 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -10.094 1.293 -10.269 1.00 0.00 C ATOM 1793 CZ TYR A 118 -9.484 2.510 -10.061 1.00 0.00 C ATOM 1794 OH TYR A 118 -8.314 2.808 -10.718 1.00 0.00 O ATOM 0 H TYR A 118 -15.384 1.028 -7.209 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.254 3.367 -8.296 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.997 1.792 -6.937 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.299 0.490 -8.070 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -11.639 3.842 -7.854 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.744 0.041 -9.771 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.557 4.381 -9.039 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.658 0.576 -10.948 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.218 2.222 -11.498 1.00 0.00 H new ATOM 1804 N ARG A 119 -15.056 1.006 -10.428 1.00 0.00 N ATOM 1805 CA ARG A 119 -15.244 0.699 -11.838 1.00 0.00 C ATOM 1806 C ARG A 119 -16.264 1.653 -12.447 1.00 0.00 C ATOM 1807 O ARG A 119 -16.088 2.150 -13.560 1.00 0.00 O ATOM 1808 CB ARG A 119 -15.731 -0.737 -12.009 1.00 0.00 C ATOM 1809 CG ARG A 119 -15.030 -1.734 -11.106 1.00 0.00 C ATOM 1810 CD ARG A 119 -15.435 -3.155 -11.443 1.00 0.00 C ATOM 1811 NE ARG A 119 -14.944 -3.553 -12.757 1.00 0.00 N ATOM 1812 CZ ARG A 119 -15.723 -3.769 -13.812 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -17.044 -3.652 -13.706 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -15.183 -4.102 -14.973 1.00 0.00 N ATOM 0 H ARG A 119 -15.399 0.286 -9.793 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.287 0.815 -12.347 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -16.802 -0.773 -11.812 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -15.588 -1.038 -13.047 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -13.950 -1.626 -11.209 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -15.274 -1.520 -10.065 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -15.044 -3.835 -10.686 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -16.521 -3.241 -11.418 1.00 0.00 H new ATOM 0 HE ARG A 119 -13.938 -3.673 -12.874 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -17.463 -3.395 -12.812 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -17.638 -3.819 -14.519 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -14.171 -4.193 -15.057 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -15.779 -4.268 -15.784 1.00 0.00 H new ATOM 1828 N GLU A 120 -17.327 1.909 -11.695 1.00 0.00 N ATOM 1829 CA GLU A 120 -18.396 2.790 -12.140 1.00 0.00 C ATOM 1830 C GLU A 120 -17.891 4.228 -12.242 1.00 0.00 C ATOM 1831 O GLU A 120 -18.255 4.964 -13.162 1.00 0.00 O ATOM 1832 CB GLU A 120 -19.580 2.690 -11.174 1.00 0.00 C ATOM 1833 CG GLU A 120 -20.861 3.310 -11.702 1.00 0.00 C ATOM 1834 CD GLU A 120 -22.068 2.946 -10.864 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -22.540 1.794 -10.968 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -22.563 3.808 -10.108 1.00 0.00 O ATOM 0 H GLU A 120 -17.471 1.514 -10.766 1.00 0.00 H new ATOM 0 HA GLU A 120 -18.729 2.482 -13.131 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -19.763 1.640 -10.947 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -19.313 3.177 -10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -20.753 4.394 -11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -21.023 2.983 -12.729 1.00 0.00 H new ATOM 1843 N ALA A 121 -17.031 4.617 -11.304 1.00 0.00 N ATOM 1844 CA ALA A 121 -16.409 5.938 -11.335 1.00 0.00 C ATOM 1845 C ALA A 121 -15.532 6.088 -12.575 1.00 0.00 C ATOM 1846 O ALA A 121 -15.505 7.149 -13.205 1.00 0.00 O ATOM 1847 CB ALA A 121 -15.593 6.174 -10.070 1.00 0.00 C ATOM 0 H ALA A 121 -16.749 4.037 -10.514 1.00 0.00 H new ATOM 0 HA ALA A 121 -17.198 6.689 -11.380 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -15.137 7.163 -10.111 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -16.245 6.111 -9.199 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -14.812 5.417 -9.994 1.00 0.00 H new ATOM 1853 N PHE A 122 -14.830 5.014 -12.923 1.00 0.00 N ATOM 1854 CA PHE A 122 -14.018 4.977 -14.133 1.00 0.00 C ATOM 1855 C PHE A 122 -14.901 5.171 -15.359 1.00 0.00 C ATOM 1856 O PHE A 122 -14.545 5.902 -16.281 1.00 0.00 O ATOM 1857 CB PHE A 122 -13.259 3.646 -14.223 1.00 0.00 C ATOM 1858 CG PHE A 122 -12.352 3.540 -15.419 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -11.103 4.142 -15.414 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -12.749 2.838 -16.547 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -10.268 4.046 -16.511 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -11.917 2.739 -17.647 1.00 0.00 C ATOM 1863 CZ PHE A 122 -10.675 3.344 -17.629 1.00 0.00 C ATOM 0 H PHE A 122 -14.808 4.152 -12.379 1.00 0.00 H new ATOM 0 HA PHE A 122 -13.290 5.787 -14.095 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -12.667 3.515 -13.317 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -13.980 2.829 -14.253 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.779 4.692 -14.543 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -13.719 2.363 -16.567 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -9.298 4.520 -16.494 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -12.238 2.189 -18.519 1.00 0.00 H new ATOM 0 HZ PHE A 122 -10.024 3.268 -18.487 1.00 0.00 H new