USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 541 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 56 THR OG1 : rot 170:sc= -0.537 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= -0.685 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -137:sc= -0.29 (180deg=-2.31!) USER MOD Single : A 38 GLN : amide:sc= -0.929 K(o=-0.93,f=-4.1!) USER MOD Single : A 39 GLN : amide:sc= 1.11 K(o=1.1,f=-0.0037) USER MOD Single : A 41 MET CE :methyl -161:sc= -0.296 (180deg=-0.963) USER MOD Single : A 43 THR OG1 : rot -63:sc= 0.754 USER MOD Single : A 44 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.8!) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.15) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.25 F(o=-0.81,f=-0.25) USER MOD Single : A 65 LYS NZ :NH3+ -147:sc= -2.86 (180deg=-3.88!) USER MOD Single : A 67 MET CE :methyl -118:sc= -7.05! (180deg=-11.3!) USER MOD Single : A 71 MET CE :methyl -175:sc= -0.0523 (180deg=-0.0717) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.211 F(o=-0.88,f=-0.21) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0.343 X(o=0.34,f=0) USER MOD Single : A 89 TYR OH : rot -66:sc= 0.982 USER MOD Single : A 90 THR OG1 : rot 51:sc= 0.393 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 432 N VAL A 31 19.155 -16.141 -0.586 1.00 14.33 N ATOM 433 CA VAL A 31 18.323 -15.591 -1.648 1.00 61.10 C ATOM 434 C VAL A 31 17.262 -16.593 -2.089 1.00 64.22 C ATOM 435 O VAL A 31 17.026 -16.777 -3.283 1.00 24.31 O ATOM 436 CB VAL A 31 19.168 -15.184 -2.869 1.00 72.21 C ATOM 437 CG1 VAL A 31 20.129 -14.063 -2.503 1.00 64.14 C ATOM 438 CG2 VAL A 31 19.921 -16.386 -3.420 1.00 3.44 C ATOM 0 HA VAL A 31 17.835 -14.705 -1.242 1.00 61.10 H new ATOM 0 HB VAL A 31 18.499 -14.816 -3.647 1.00 72.21 H new ATOM 0 HG11 VAL A 31 20.718 -13.788 -3.378 1.00 64.14 H new ATOM 0 HG12 VAL A 31 19.564 -13.197 -2.160 1.00 64.14 H new ATOM 0 HG13 VAL A 31 20.795 -14.400 -1.709 1.00 64.14 H new ATOM 0 HG21 VAL A 31 20.513 -16.080 -4.283 1.00 3.44 H new ATOM 0 HG22 VAL A 31 20.581 -16.786 -2.650 1.00 3.44 H new ATOM 0 HG23 VAL A 31 19.209 -17.154 -3.722 1.00 3.44 H new ATOM 448 N GLU A 32 16.624 -17.239 -1.118 1.00 41.30 N ATOM 449 CA GLU A 32 15.588 -18.222 -1.407 1.00 21.21 C ATOM 450 C GLU A 32 14.332 -17.547 -1.949 1.00 75.44 C ATOM 451 O GLU A 32 13.569 -18.147 -2.707 1.00 11.24 O ATOM 452 CB GLU A 32 15.247 -19.022 -0.148 1.00 22.23 C ATOM 453 CG GLU A 32 14.610 -18.187 0.950 1.00 52.44 C ATOM 454 CD GLU A 32 14.735 -18.828 2.318 1.00 10.43 C ATOM 455 OE1 GLU A 32 14.773 -18.083 3.321 1.00 70.11 O ATOM 456 OE2 GLU A 32 14.797 -20.073 2.387 1.00 54.02 O ATOM 0 H GLU A 32 16.807 -17.099 -0.124 1.00 41.30 H new ATOM 0 HA GLU A 32 15.971 -18.901 -2.168 1.00 21.21 H new ATOM 0 HB2 GLU A 32 14.570 -19.833 -0.415 1.00 22.23 H new ATOM 0 HB3 GLU A 32 16.157 -19.481 0.238 1.00 22.23 H new ATOM 0 HG2 GLU A 32 15.078 -17.203 0.970 1.00 52.44 H new ATOM 0 HG3 GLU A 32 13.556 -18.034 0.720 1.00 52.44 H new ATOM 464 N SER A 33 14.123 -16.294 -1.555 1.00 24.02 N ATOM 465 CA SER A 33 12.958 -15.538 -1.998 1.00 0.55 C ATOM 466 C SER A 33 13.364 -14.150 -2.482 1.00 51.35 C ATOM 467 O SER A 33 12.525 -13.261 -2.631 1.00 33.14 O ATOM 468 CB SER A 33 11.941 -15.416 -0.860 1.00 24.31 C ATOM 469 OG SER A 33 11.431 -16.686 -0.496 1.00 34.43 O ATOM 0 H SER A 33 14.746 -15.782 -0.930 1.00 24.02 H new ATOM 0 HA SER A 33 12.501 -16.075 -2.829 1.00 0.55 H new ATOM 0 HB2 SER A 33 12.412 -14.948 0.004 1.00 24.31 H new ATOM 0 HB3 SER A 33 11.122 -14.766 -1.168 1.00 24.31 H new ATOM 0 HG SER A 33 10.785 -16.582 0.234 1.00 34.43 H new ATOM 475 N ASP A 34 14.657 -13.970 -2.728 1.00 30.11 N ATOM 476 CA ASP A 34 15.177 -12.691 -3.197 1.00 70.33 C ATOM 477 C ASP A 34 15.146 -12.618 -4.720 1.00 45.34 C ATOM 478 O ASP A 34 15.083 -11.533 -5.300 1.00 12.42 O ATOM 479 CB ASP A 34 16.605 -12.480 -2.693 1.00 10.24 C ATOM 480 CG ASP A 34 17.284 -11.298 -3.355 1.00 70.04 C ATOM 481 OD1 ASP A 34 18.263 -11.516 -4.100 1.00 41.14 O ATOM 482 OD2 ASP A 34 16.836 -10.154 -3.131 1.00 4.54 O ATOM 0 H ASP A 34 15.365 -14.695 -2.610 1.00 30.11 H new ATOM 0 HA ASP A 34 14.540 -11.901 -2.800 1.00 70.33 H new ATOM 0 HB2 ASP A 34 16.587 -12.327 -1.614 1.00 10.24 H new ATOM 0 HB3 ASP A 34 17.189 -13.381 -2.878 1.00 10.24 H new ATOM 488 N LEU A 35 15.191 -13.780 -5.365 1.00 53.31 N ATOM 489 CA LEU A 35 15.170 -13.848 -6.821 1.00 73.23 C ATOM 490 C LEU A 35 13.743 -14.007 -7.338 1.00 63.11 C ATOM 491 O LEU A 35 13.528 -14.361 -8.498 1.00 33.42 O ATOM 492 CB LEU A 35 16.034 -15.012 -7.310 1.00 12.03 C ATOM 493 CG LEU A 35 17.468 -14.662 -7.708 1.00 43.23 C ATOM 494 CD1 LEU A 35 18.415 -14.883 -6.539 1.00 12.40 C ATOM 495 CD2 LEU A 35 17.903 -15.485 -8.913 1.00 15.24 C ATOM 0 H LEU A 35 15.242 -14.687 -4.901 1.00 53.31 H new ATOM 0 HA LEU A 35 15.576 -12.914 -7.209 1.00 73.23 H new ATOM 0 HB2 LEU A 35 16.070 -15.767 -6.524 1.00 12.03 H new ATOM 0 HB3 LEU A 35 15.541 -15.469 -8.168 1.00 12.03 H new ATOM 0 HG LEU A 35 17.502 -13.608 -7.982 1.00 43.23 H new ATOM 0 HD11 LEU A 35 19.431 -14.629 -6.841 1.00 12.40 H new ATOM 0 HD12 LEU A 35 18.116 -14.250 -5.704 1.00 12.40 H new ATOM 0 HD13 LEU A 35 18.378 -15.929 -6.234 1.00 12.40 H new ATOM 0 HD21 LEU A 35 18.926 -15.223 -9.182 1.00 15.24 H new ATOM 0 HD22 LEU A 35 17.853 -16.546 -8.666 1.00 15.24 H new ATOM 0 HD23 LEU A 35 17.242 -15.277 -9.754 1.00 15.24 H new ATOM 507 N ASP A 36 12.773 -13.740 -6.471 1.00 61.41 N ATOM 508 CA ASP A 36 11.367 -13.851 -6.840 1.00 73.53 C ATOM 509 C ASP A 36 10.914 -12.625 -7.629 1.00 33.44 C ATOM 510 O ASP A 36 10.000 -12.707 -8.449 1.00 11.34 O ATOM 511 CB ASP A 36 10.500 -14.018 -5.591 1.00 54.53 C ATOM 512 CG ASP A 36 9.251 -14.834 -5.856 1.00 70.25 C ATOM 513 OD1 ASP A 36 8.172 -14.448 -5.358 1.00 23.53 O ATOM 514 OD2 ASP A 36 9.351 -15.858 -6.563 1.00 62.24 O ATOM 0 H ASP A 36 12.934 -13.445 -5.508 1.00 61.41 H new ATOM 0 HA ASP A 36 11.252 -14.731 -7.472 1.00 73.53 H new ATOM 0 HB2 ASP A 36 11.086 -14.500 -4.808 1.00 54.53 H new ATOM 0 HB3 ASP A 36 10.215 -13.035 -5.216 1.00 54.53 H new ATOM 520 N MET A 37 11.558 -11.492 -7.372 1.00 22.43 N ATOM 521 CA MET A 37 11.221 -10.250 -8.058 1.00 1.23 C ATOM 522 C MET A 37 11.489 -10.366 -9.555 1.00 61.40 C ATOM 523 O MET A 37 10.943 -9.604 -10.352 1.00 64.30 O ATOM 524 CB MET A 37 12.024 -9.086 -7.473 1.00 62.32 C ATOM 525 CG MET A 37 11.806 -8.885 -5.983 1.00 20.53 C ATOM 526 SD MET A 37 12.991 -7.738 -5.255 1.00 70.24 S ATOM 527 CE MET A 37 14.023 -8.864 -4.320 1.00 73.44 C ATOM 0 H MET A 37 12.316 -11.408 -6.694 1.00 22.43 H new ATOM 0 HA MET A 37 10.158 -10.059 -7.911 1.00 1.23 H new ATOM 0 HB2 MET A 37 13.084 -9.259 -7.657 1.00 62.32 H new ATOM 0 HB3 MET A 37 11.755 -8.170 -7.998 1.00 62.32 H new ATOM 0 HG2 MET A 37 10.796 -8.512 -5.815 1.00 20.53 H new ATOM 0 HG3 MET A 37 11.879 -9.847 -5.476 1.00 20.53 H new ATOM 0 HE1 MET A 37 14.234 -8.436 -3.340 1.00 73.44 H new ATOM 0 HE2 MET A 37 13.505 -9.815 -4.197 1.00 73.44 H new ATOM 0 HE3 MET A 37 14.959 -9.027 -4.853 1.00 73.44 H new ATOM 537 N GLN A 38 12.332 -11.324 -9.929 1.00 64.11 N ATOM 538 CA GLN A 38 12.672 -11.538 -11.331 1.00 54.14 C ATOM 539 C GLN A 38 11.413 -11.666 -12.182 1.00 65.44 C ATOM 540 O GLN A 38 11.389 -11.244 -13.337 1.00 45.35 O ATOM 541 CB GLN A 38 13.534 -12.792 -11.483 1.00 11.53 C ATOM 542 CG GLN A 38 14.575 -12.683 -12.586 1.00 31.41 C ATOM 543 CD GLN A 38 15.615 -11.618 -12.304 1.00 42.44 C ATOM 544 OE1 GLN A 38 15.507 -10.487 -12.781 1.00 62.21 O ATOM 545 NE2 GLN A 38 16.632 -11.973 -11.528 1.00 12.53 N ATOM 0 H GLN A 38 12.792 -11.964 -9.281 1.00 64.11 H new ATOM 0 HA GLN A 38 13.237 -10.673 -11.678 1.00 54.14 H new ATOM 0 HB2 GLN A 38 14.038 -12.994 -10.538 1.00 11.53 H new ATOM 0 HB3 GLN A 38 12.887 -13.645 -11.688 1.00 11.53 H new ATOM 0 HG2 GLN A 38 15.071 -13.646 -12.709 1.00 31.41 H new ATOM 0 HG3 GLN A 38 14.077 -12.458 -13.529 1.00 31.41 H new ATOM 0 HE21 GLN A 38 16.682 -12.921 -11.154 1.00 12.53 H new ATOM 0 HE22 GLN A 38 17.364 -11.298 -11.306 1.00 12.53 H new ATOM 554 N GLN A 39 10.370 -12.252 -11.604 1.00 13.10 N ATOM 555 CA GLN A 39 9.108 -12.437 -12.311 1.00 33.22 C ATOM 556 C GLN A 39 8.555 -11.100 -12.795 1.00 31.41 C ATOM 557 O GLN A 39 7.919 -11.026 -13.845 1.00 54.34 O ATOM 558 CB GLN A 39 8.087 -13.127 -11.405 1.00 31.24 C ATOM 559 CG GLN A 39 7.546 -12.230 -10.304 1.00 0.51 C ATOM 560 CD GLN A 39 6.702 -12.985 -9.296 1.00 63.14 C ATOM 561 OE1 GLN A 39 5.527 -13.261 -9.537 1.00 30.40 O ATOM 562 NE2 GLN A 39 7.299 -13.324 -8.159 1.00 51.02 N ATOM 0 H GLN A 39 10.374 -12.607 -10.648 1.00 13.10 H new ATOM 0 HA GLN A 39 9.296 -13.068 -13.180 1.00 33.22 H new ATOM 0 HB2 GLN A 39 7.256 -13.483 -12.014 1.00 31.24 H new ATOM 0 HB3 GLN A 39 8.549 -14.004 -10.953 1.00 31.24 H new ATOM 0 HG2 GLN A 39 8.379 -11.752 -9.789 1.00 0.51 H new ATOM 0 HG3 GLN A 39 6.948 -11.435 -10.750 1.00 0.51 H new ATOM 0 HE21 GLN A 39 8.275 -13.074 -8.002 1.00 51.02 H new ATOM 0 HE22 GLN A 39 6.781 -13.834 -7.443 1.00 51.02 H new ATOM 571 N ALA A 40 8.802 -10.049 -12.021 1.00 50.23 N ATOM 572 CA ALA A 40 8.329 -8.715 -12.372 1.00 62.01 C ATOM 573 C ALA A 40 8.983 -8.222 -13.659 1.00 30.40 C ATOM 574 O ALA A 40 8.361 -7.512 -14.449 1.00 24.14 O ATOM 575 CB ALA A 40 8.601 -7.743 -11.234 1.00 73.21 C ATOM 0 H ALA A 40 9.326 -10.095 -11.147 1.00 50.23 H new ATOM 0 HA ALA A 40 7.253 -8.770 -12.540 1.00 62.01 H new ATOM 0 HB1 ALA A 40 8.243 -6.751 -11.509 1.00 73.21 H new ATOM 0 HB2 ALA A 40 8.083 -8.080 -10.336 1.00 73.21 H new ATOM 0 HB3 ALA A 40 9.673 -7.701 -11.040 1.00 73.21 H new ATOM 581 N MET A 41 10.240 -8.603 -13.862 1.00 53.12 N ATOM 582 CA MET A 41 10.977 -8.199 -15.053 1.00 50.14 C ATOM 583 C MET A 41 10.212 -8.573 -16.319 1.00 31.24 C ATOM 584 O MET A 41 10.034 -7.749 -17.217 1.00 23.42 O ATOM 585 CB MET A 41 12.361 -8.850 -15.069 1.00 21.01 C ATOM 586 CG MET A 41 13.232 -8.453 -13.889 1.00 42.41 C ATOM 587 SD MET A 41 13.640 -6.696 -13.886 1.00 74.44 S ATOM 588 CE MET A 41 14.465 -6.538 -15.468 1.00 22.12 C ATOM 0 H MET A 41 10.769 -9.191 -13.217 1.00 53.12 H new ATOM 0 HA MET A 41 11.094 -7.116 -15.027 1.00 50.14 H new ATOM 0 HB2 MET A 41 12.244 -9.934 -15.075 1.00 21.01 H new ATOM 0 HB3 MET A 41 12.870 -8.579 -15.994 1.00 21.01 H new ATOM 0 HG2 MET A 41 12.717 -8.704 -12.962 1.00 42.41 H new ATOM 0 HG3 MET A 41 14.153 -9.036 -13.910 1.00 42.41 H new ATOM 0 HE1 MET A 41 15.064 -5.627 -15.477 1.00 22.12 H new ATOM 0 HE2 MET A 41 15.113 -7.400 -15.628 1.00 22.12 H new ATOM 0 HE3 MET A 41 13.721 -6.491 -16.263 1.00 22.12 H new ATOM 598 N LEU A 42 9.761 -9.822 -16.385 1.00 13.33 N ATOM 599 CA LEU A 42 9.014 -10.305 -17.540 1.00 24.52 C ATOM 600 C LEU A 42 7.717 -9.524 -17.717 1.00 32.32 C ATOM 601 O LEU A 42 7.113 -9.536 -18.790 1.00 34.41 O ATOM 602 CB LEU A 42 8.709 -11.797 -17.387 1.00 64.22 C ATOM 603 CG LEU A 42 9.753 -12.758 -17.958 1.00 45.34 C ATOM 604 CD1 LEU A 42 11.081 -12.594 -17.236 1.00 12.21 C ATOM 605 CD2 LEU A 42 9.264 -14.195 -17.860 1.00 21.55 C ATOM 0 H LEU A 42 9.900 -10.517 -15.652 1.00 13.33 H new ATOM 0 HA LEU A 42 9.629 -10.155 -18.427 1.00 24.52 H new ATOM 0 HB2 LEU A 42 8.585 -12.015 -16.326 1.00 64.22 H new ATOM 0 HB3 LEU A 42 7.753 -12.003 -17.868 1.00 64.22 H new ATOM 0 HG LEU A 42 9.904 -12.517 -19.010 1.00 45.34 H new ATOM 0 HD11 LEU A 42 11.811 -13.286 -17.656 1.00 12.21 H new ATOM 0 HD12 LEU A 42 11.438 -11.571 -17.358 1.00 12.21 H new ATOM 0 HD13 LEU A 42 10.947 -12.807 -16.175 1.00 12.21 H new ATOM 0 HD21 LEU A 42 10.019 -14.865 -18.271 1.00 21.55 H new ATOM 0 HD22 LEU A 42 9.084 -14.448 -16.815 1.00 21.55 H new ATOM 0 HD23 LEU A 42 8.337 -14.303 -18.424 1.00 21.55 H new ATOM 617 N THR A 43 7.292 -8.845 -16.656 1.00 11.24 N ATOM 618 CA THR A 43 6.066 -8.057 -16.693 1.00 43.14 C ATOM 619 C THR A 43 6.294 -6.658 -16.131 1.00 23.04 C ATOM 620 O THR A 43 5.751 -6.303 -15.086 1.00 74.30 O ATOM 621 CB THR A 43 4.936 -8.738 -15.900 1.00 23.44 C ATOM 622 OG1 THR A 43 3.807 -7.864 -15.805 1.00 40.31 O ATOM 623 CG2 THR A 43 5.408 -9.120 -14.505 1.00 73.43 C ATOM 0 H THR A 43 7.779 -8.825 -15.760 1.00 11.24 H new ATOM 0 HA THR A 43 5.771 -7.982 -17.740 1.00 43.14 H new ATOM 0 HB THR A 43 4.647 -9.646 -16.430 1.00 23.44 H new ATOM 0 HG1 THR A 43 4.057 -7.060 -15.303 1.00 40.31 H new ATOM 0 HG21 THR A 43 4.593 -9.600 -13.964 1.00 73.43 H new ATOM 0 HG22 THR A 43 6.248 -9.810 -14.581 1.00 73.43 H new ATOM 0 HG23 THR A 43 5.722 -8.224 -13.969 1.00 73.43 H new ATOM 631 N ASN A 44 7.101 -5.868 -16.831 1.00 73.30 N ATOM 632 CA ASN A 44 7.400 -4.507 -16.402 1.00 11.44 C ATOM 633 C ASN A 44 6.189 -3.599 -16.586 1.00 22.01 C ATOM 634 O ASN A 44 5.090 -4.065 -16.890 1.00 14.44 O ATOM 635 CB ASN A 44 8.592 -3.953 -17.185 1.00 33.21 C ATOM 636 CG ASN A 44 9.486 -3.073 -16.333 1.00 2.34 C ATOM 637 OD1 ASN A 44 9.567 -3.245 -15.116 1.00 24.42 O ATOM 638 ND2 ASN A 44 10.163 -2.124 -16.969 1.00 52.34 N ATOM 0 H ASN A 44 7.560 -6.147 -17.698 1.00 73.30 H new ATOM 0 HA ASN A 44 7.652 -4.535 -15.342 1.00 11.44 H new ATOM 0 HB2 ASN A 44 9.177 -4.781 -17.585 1.00 33.21 H new ATOM 0 HB3 ASN A 44 8.228 -3.379 -18.037 1.00 33.21 H new ATOM 0 HD21 ASN A 44 10.781 -1.502 -16.448 1.00 52.34 H new ATOM 0 HD22 ASN A 44 10.066 -2.018 -17.979 1.00 52.34 H new ATOM 718 N VAL A 49 0.454 3.329 -18.968 1.00 33.21 N ATOM 719 CA VAL A 49 -0.104 2.871 -17.701 1.00 42.00 C ATOM 720 C VAL A 49 -0.115 3.994 -16.669 1.00 34.33 C ATOM 721 O VAL A 49 -1.011 4.067 -15.826 1.00 43.12 O ATOM 722 CB VAL A 49 0.690 1.679 -17.136 1.00 23.24 C ATOM 723 CG1 VAL A 49 0.258 1.377 -15.709 1.00 63.31 C ATOM 724 CG2 VAL A 49 0.517 0.455 -18.024 1.00 71.01 C ATOM 0 HA VAL A 49 -1.127 2.554 -17.902 1.00 42.00 H new ATOM 0 HB VAL A 49 1.747 1.944 -17.122 1.00 23.24 H new ATOM 0 HG11 VAL A 49 0.830 0.532 -15.327 1.00 63.31 H new ATOM 0 HG12 VAL A 49 0.438 2.250 -15.082 1.00 63.31 H new ATOM 0 HG13 VAL A 49 -0.804 1.132 -15.694 1.00 63.31 H new ATOM 0 HG21 VAL A 49 1.085 -0.378 -17.610 1.00 71.01 H new ATOM 0 HG22 VAL A 49 -0.538 0.187 -18.072 1.00 71.01 H new ATOM 0 HG23 VAL A 49 0.880 0.679 -19.027 1.00 71.01 H new ATOM 734 N LEU A 50 0.883 4.867 -16.740 1.00 64.13 N ATOM 735 CA LEU A 50 0.988 5.987 -15.813 1.00 72.13 C ATOM 736 C LEU A 50 -0.241 6.888 -15.905 1.00 23.12 C ATOM 737 O LEU A 50 -0.652 7.498 -14.918 1.00 65.04 O ATOM 738 CB LEU A 50 2.252 6.799 -16.103 1.00 73.50 C ATOM 739 CG LEU A 50 3.552 6.001 -16.208 1.00 3.23 C ATOM 740 CD1 LEU A 50 4.644 6.841 -16.851 1.00 54.53 C ATOM 741 CD2 LEU A 50 3.991 5.513 -14.834 1.00 52.53 C ATOM 0 H LEU A 50 1.632 4.821 -17.431 1.00 64.13 H new ATOM 0 HA LEU A 50 1.046 5.585 -14.802 1.00 72.13 H new ATOM 0 HB2 LEU A 50 2.105 7.341 -17.037 1.00 73.50 H new ATOM 0 HB3 LEU A 50 2.369 7.545 -15.317 1.00 73.50 H new ATOM 0 HG LEU A 50 3.372 5.131 -16.840 1.00 3.23 H new ATOM 0 HD11 LEU A 50 5.561 6.256 -16.917 1.00 54.53 H new ATOM 0 HD12 LEU A 50 4.331 7.140 -17.851 1.00 54.53 H new ATOM 0 HD13 LEU A 50 4.823 7.730 -16.246 1.00 54.53 H new ATOM 0 HD21 LEU A 50 4.918 4.947 -14.928 1.00 52.53 H new ATOM 0 HD22 LEU A 50 4.153 6.369 -14.179 1.00 52.53 H new ATOM 0 HD23 LEU A 50 3.217 4.873 -14.411 1.00 52.53 H new ATOM 753 N LYS A 51 -0.824 6.962 -17.097 1.00 2.51 N ATOM 754 CA LYS A 51 -2.007 7.785 -17.318 1.00 72.52 C ATOM 755 C LYS A 51 -3.077 7.491 -16.271 1.00 50.35 C ATOM 756 O LYS A 51 -3.825 8.382 -15.867 1.00 44.31 O ATOM 757 CB LYS A 51 -2.570 7.538 -18.721 1.00 14.13 C ATOM 758 CG LYS A 51 -1.627 7.954 -19.835 1.00 64.21 C ATOM 759 CD LYS A 51 -1.745 9.438 -20.141 1.00 32.44 C ATOM 760 CE LYS A 51 -1.053 9.795 -21.447 1.00 5.24 C ATOM 761 NZ LYS A 51 0.357 9.315 -21.477 1.00 61.41 N ATOM 0 H LYS A 51 -0.497 6.462 -17.924 1.00 2.51 H new ATOM 0 HA LYS A 51 -1.714 8.831 -17.229 1.00 72.52 H new ATOM 0 HB2 LYS A 51 -2.802 6.478 -18.829 1.00 14.13 H new ATOM 0 HB3 LYS A 51 -3.508 8.082 -18.828 1.00 14.13 H new ATOM 0 HG2 LYS A 51 -0.601 7.721 -19.550 1.00 64.21 H new ATOM 0 HG3 LYS A 51 -1.847 7.378 -20.734 1.00 64.21 H new ATOM 0 HD2 LYS A 51 -2.797 9.716 -20.198 1.00 32.44 H new ATOM 0 HD3 LYS A 51 -1.307 10.014 -19.326 1.00 32.44 H new ATOM 0 HE2 LYS A 51 -1.603 9.358 -22.281 1.00 5.24 H new ATOM 0 HE3 LYS A 51 -1.072 10.876 -21.584 1.00 5.24 H new ATOM 0 HZ1 LYS A 51 0.834 9.693 -22.320 1.00 61.41 H new ATOM 0 HZ2 LYS A 51 0.853 9.641 -20.623 1.00 61.41 H new ATOM 0 HZ3 LYS A 51 0.369 8.276 -21.508 1.00 61.41 H new ATOM 775 N ALA A 52 -3.144 6.239 -15.834 1.00 70.34 N ATOM 776 CA ALA A 52 -4.120 5.830 -14.832 1.00 74.21 C ATOM 777 C ALA A 52 -3.752 6.372 -13.455 1.00 53.13 C ATOM 778 O ALA A 52 -4.615 6.844 -12.712 1.00 4.22 O ATOM 779 CB ALA A 52 -4.232 4.313 -14.791 1.00 24.13 C ATOM 0 H ALA A 52 -2.533 5.489 -16.158 1.00 70.34 H new ATOM 0 HA ALA A 52 -5.087 6.247 -15.112 1.00 74.21 H new ATOM 0 HB1 ALA A 52 -4.965 4.022 -14.038 1.00 24.13 H new ATOM 0 HB2 ALA A 52 -4.549 3.945 -15.767 1.00 24.13 H new ATOM 0 HB3 ALA A 52 -3.263 3.883 -14.539 1.00 24.13 H new ATOM 785 N LEU A 53 -2.469 6.302 -13.120 1.00 33.01 N ATOM 786 CA LEU A 53 -1.987 6.785 -11.831 1.00 72.02 C ATOM 787 C LEU A 53 -2.285 8.272 -11.661 1.00 32.23 C ATOM 788 O LEU A 53 -2.300 8.787 -10.544 1.00 12.00 O ATOM 789 CB LEU A 53 -0.484 6.538 -11.700 1.00 63.43 C ATOM 790 CG LEU A 53 -0.039 5.075 -11.736 1.00 32.14 C ATOM 791 CD1 LEU A 53 1.478 4.977 -11.711 1.00 63.52 C ATOM 792 CD2 LEU A 53 -0.643 4.306 -10.569 1.00 72.33 C ATOM 0 H LEU A 53 -1.743 5.915 -13.723 1.00 33.01 H new ATOM 0 HA LEU A 53 -2.509 6.235 -11.048 1.00 72.02 H new ATOM 0 HB2 LEU A 53 0.023 7.071 -12.504 1.00 63.43 H new ATOM 0 HB3 LEU A 53 -0.144 6.977 -10.762 1.00 63.43 H new ATOM 0 HG LEU A 53 -0.396 4.630 -12.665 1.00 32.14 H new ATOM 0 HD11 LEU A 53 1.775 3.929 -11.737 1.00 63.52 H new ATOM 0 HD12 LEU A 53 1.890 5.493 -12.578 1.00 63.52 H new ATOM 0 HD13 LEU A 53 1.857 5.439 -10.800 1.00 63.52 H new ATOM 0 HD21 LEU A 53 -0.316 3.267 -10.610 1.00 72.33 H new ATOM 0 HD22 LEU A 53 -0.315 4.753 -9.630 1.00 72.33 H new ATOM 0 HD23 LEU A 53 -1.731 4.347 -10.630 1.00 72.33 H new ATOM 804 N GLU A 54 -2.524 8.954 -12.777 1.00 44.03 N ATOM 805 CA GLU A 54 -2.823 10.380 -12.750 1.00 41.24 C ATOM 806 C GLU A 54 -4.157 10.643 -12.057 1.00 42.44 C ATOM 807 O GLU A 54 -4.294 11.600 -11.294 1.00 34.21 O ATOM 808 CB GLU A 54 -2.855 10.944 -14.172 1.00 61.32 C ATOM 809 CG GLU A 54 -1.592 10.661 -14.968 1.00 71.31 C ATOM 810 CD GLU A 54 -0.330 10.989 -14.196 1.00 43.52 C ATOM 811 OE1 GLU A 54 0.463 10.061 -13.933 1.00 2.51 O ATOM 812 OE2 GLU A 54 -0.135 12.175 -13.854 1.00 63.20 O ATOM 0 H GLU A 54 -2.516 8.542 -13.710 1.00 44.03 H new ATOM 0 HA GLU A 54 -2.035 10.880 -12.186 1.00 41.24 H new ATOM 0 HB2 GLU A 54 -3.710 10.523 -14.701 1.00 61.32 H new ATOM 0 HB3 GLU A 54 -3.009 12.022 -14.123 1.00 61.32 H new ATOM 0 HG2 GLU A 54 -1.575 9.609 -15.254 1.00 71.31 H new ATOM 0 HG3 GLU A 54 -1.611 11.242 -15.890 1.00 71.31 H new ATOM 820 N ARG A 55 -5.137 9.789 -12.329 1.00 32.31 N ATOM 821 CA ARG A 55 -6.461 9.929 -11.734 1.00 1.22 C ATOM 822 C ARG A 55 -6.462 9.440 -10.288 1.00 43.34 C ATOM 823 O ARG A 55 -7.178 9.974 -9.440 1.00 43.23 O ATOM 824 CB ARG A 55 -7.496 9.150 -12.547 1.00 25.44 C ATOM 825 CG ARG A 55 -8.829 8.983 -11.838 1.00 53.55 C ATOM 826 CD ARG A 55 -9.420 10.327 -11.442 1.00 34.13 C ATOM 827 NE ARG A 55 -10.755 10.524 -12.001 1.00 45.23 N ATOM 828 CZ ARG A 55 -11.541 11.546 -11.683 1.00 12.24 C ATOM 829 NH1 ARG A 55 -11.129 12.458 -10.812 1.00 70.44 N ATOM 830 NH2 ARG A 55 -12.743 11.658 -12.235 1.00 32.12 N ATOM 0 H ARG A 55 -5.040 8.992 -12.958 1.00 32.31 H new ATOM 0 HA ARG A 55 -6.724 10.987 -11.743 1.00 1.22 H new ATOM 0 HB2 ARG A 55 -7.660 9.662 -13.495 1.00 25.44 H new ATOM 0 HB3 ARG A 55 -7.094 8.165 -12.782 1.00 25.44 H new ATOM 0 HG2 ARG A 55 -9.526 8.455 -12.490 1.00 53.55 H new ATOM 0 HG3 ARG A 55 -8.695 8.367 -10.949 1.00 53.55 H new ATOM 0 HD2 ARG A 55 -9.468 10.396 -10.355 1.00 34.13 H new ATOM 0 HD3 ARG A 55 -8.763 11.127 -11.783 1.00 34.13 H new ATOM 0 HE ARG A 55 -11.102 9.839 -12.672 1.00 45.23 H new ATOM 0 HH11 ARG A 55 -10.206 12.375 -10.385 1.00 70.44 H new ATOM 0 HH12 ARG A 55 -11.735 13.242 -10.570 1.00 70.44 H new ATOM 0 HH21 ARG A 55 -13.064 10.958 -12.904 1.00 32.12 H new ATOM 0 HH22 ARG A 55 -13.346 12.444 -11.990 1.00 32.12 H new ATOM 844 N THR A 56 -5.653 8.421 -10.013 1.00 44.13 N ATOM 845 CA THR A 56 -5.561 7.859 -8.672 1.00 22.02 C ATOM 846 C THR A 56 -4.776 8.779 -7.743 1.00 32.34 C ATOM 847 O THR A 56 -5.198 9.049 -6.619 1.00 32.41 O ATOM 848 CB THR A 56 -4.892 6.472 -8.689 1.00 50.21 C ATOM 849 OG1 THR A 56 -3.482 6.611 -8.896 1.00 30.34 O ATOM 850 CG2 THR A 56 -5.486 5.597 -9.782 1.00 53.04 C ATOM 0 H THR A 56 -5.052 7.968 -10.702 1.00 44.13 H new ATOM 0 HA THR A 56 -6.581 7.757 -8.301 1.00 22.02 H new ATOM 0 HB THR A 56 -5.073 5.995 -7.726 1.00 50.21 H new ATOM 0 HG1 THR A 56 -3.043 5.748 -8.746 1.00 30.34 H new ATOM 0 HG21 THR A 56 -4.997 4.623 -9.774 1.00 53.04 H new ATOM 0 HG22 THR A 56 -6.554 5.469 -9.605 1.00 53.04 H new ATOM 0 HG23 THR A 56 -5.333 6.072 -10.751 1.00 53.04 H new ATOM 858 N ARG A 57 -3.631 9.256 -8.220 1.00 35.20 N ATOM 859 CA ARG A 57 -2.787 10.145 -7.431 1.00 65.35 C ATOM 860 C ARG A 57 -3.579 11.352 -6.939 1.00 14.24 C ATOM 861 O ARG A 57 -3.257 11.937 -5.904 1.00 41.24 O ATOM 862 CB ARG A 57 -1.588 10.612 -8.259 1.00 50.11 C ATOM 863 CG ARG A 57 -1.957 11.576 -9.375 1.00 54.34 C ATOM 864 CD ARG A 57 -0.728 12.276 -9.936 1.00 72.43 C ATOM 865 NE ARG A 57 0.236 11.328 -10.486 1.00 44.43 N ATOM 866 CZ ARG A 57 1.343 11.693 -11.124 1.00 1.50 C ATOM 867 NH1 ARG A 57 1.623 12.979 -11.290 1.00 11.53 N ATOM 868 NH2 ARG A 57 2.173 10.772 -11.596 1.00 41.11 N ATOM 0 H ARG A 57 -3.267 9.042 -9.148 1.00 35.20 H new ATOM 0 HA ARG A 57 -2.428 9.590 -6.564 1.00 65.35 H new ATOM 0 HB2 ARG A 57 -0.866 11.093 -7.599 1.00 50.11 H new ATOM 0 HB3 ARG A 57 -1.094 9.741 -8.691 1.00 50.11 H new ATOM 0 HG2 ARG A 57 -2.464 11.034 -10.173 1.00 54.34 H new ATOM 0 HG3 ARG A 57 -2.660 12.319 -8.998 1.00 54.34 H new ATOM 0 HD2 ARG A 57 -1.033 12.976 -10.714 1.00 72.43 H new ATOM 0 HD3 ARG A 57 -0.253 12.861 -9.149 1.00 72.43 H new ATOM 0 HE ARG A 57 0.050 10.331 -10.375 1.00 44.43 H new ATOM 0 HH11 ARG A 57 0.988 13.690 -10.928 1.00 11.53 H new ATOM 0 HH12 ARG A 57 2.473 13.257 -11.780 1.00 11.53 H new ATOM 0 HH21 ARG A 57 1.962 9.782 -11.469 1.00 41.11 H new ATOM 0 HH22 ARG A 57 3.022 11.054 -12.086 1.00 41.11 H new ATOM 882 N GLN A 58 -4.615 11.719 -7.686 1.00 32.02 N ATOM 883 CA GLN A 58 -5.452 12.857 -7.325 1.00 55.31 C ATOM 884 C GLN A 58 -6.155 12.616 -5.993 1.00 31.25 C ATOM 885 O GLN A 58 -6.265 13.520 -5.164 1.00 22.05 O ATOM 886 CB GLN A 58 -6.488 13.123 -8.419 1.00 1.24 C ATOM 887 CG GLN A 58 -5.918 13.837 -9.635 1.00 11.13 C ATOM 888 CD GLN A 58 -5.536 15.274 -9.341 1.00 43.21 C ATOM 889 OE1 GLN A 58 -4.322 15.474 -8.840 1.00 73.20 O flip ATOM 890 NE2 GLN A 58 -6.322 16.195 -9.562 1.00 65.11 N flip ATOM 0 H GLN A 58 -4.895 11.245 -8.545 1.00 32.02 H new ATOM 0 HA GLN A 58 -4.808 13.730 -7.223 1.00 55.31 H new ATOM 0 HB2 GLN A 58 -6.922 12.175 -8.735 1.00 1.24 H new ATOM 0 HB3 GLN A 58 -7.298 13.722 -8.003 1.00 1.24 H new ATOM 0 HG2 GLN A 58 -5.040 13.297 -9.991 1.00 11.13 H new ATOM 0 HG3 GLN A 58 -6.652 13.818 -10.440 1.00 11.13 H new ATOM 0 HE21 GLN A 58 -7.245 15.996 -9.948 1.00 65.11 H new ATOM 0 HE22 GLN A 58 -6.050 17.157 -9.360 1.00 65.11 H new ATOM 899 N LEU A 59 -6.629 11.391 -5.793 1.00 64.12 N ATOM 900 CA LEU A 59 -7.321 11.029 -4.561 1.00 32.01 C ATOM 901 C LEU A 59 -6.347 10.459 -3.536 1.00 11.44 C ATOM 902 O LEU A 59 -6.756 9.850 -2.547 1.00 3.30 O ATOM 903 CB LEU A 59 -8.426 10.012 -4.853 1.00 23.31 C ATOM 904 CG LEU A 59 -9.314 10.314 -6.059 1.00 64.44 C ATOM 905 CD1 LEU A 59 -9.313 9.143 -7.030 1.00 72.10 C ATOM 906 CD2 LEU A 59 -10.732 10.636 -5.611 1.00 33.21 C ATOM 0 H LEU A 59 -6.547 10.631 -6.469 1.00 64.12 H new ATOM 0 HA LEU A 59 -7.768 11.932 -4.146 1.00 32.01 H new ATOM 0 HB2 LEU A 59 -7.964 9.036 -5.003 1.00 23.31 H new ATOM 0 HB3 LEU A 59 -9.061 9.932 -3.971 1.00 23.31 H new ATOM 0 HG LEU A 59 -8.910 11.186 -6.573 1.00 64.44 H new ATOM 0 HD11 LEU A 59 -9.951 9.377 -7.882 1.00 72.10 H new ATOM 0 HD12 LEU A 59 -8.296 8.959 -7.377 1.00 72.10 H new ATOM 0 HD13 LEU A 59 -9.691 8.253 -6.527 1.00 72.10 H new ATOM 0 HD21 LEU A 59 -11.350 10.848 -6.484 1.00 33.21 H new ATOM 0 HD22 LEU A 59 -11.146 9.784 -5.072 1.00 33.21 H new ATOM 0 HD23 LEU A 59 -10.718 11.507 -4.956 1.00 33.21 H new ATOM 918 N ASP A 60 -5.056 10.662 -3.777 1.00 32.32 N ATOM 919 CA ASP A 60 -4.023 10.170 -2.874 1.00 14.32 C ATOM 920 C ASP A 60 -4.022 8.646 -2.826 1.00 31.14 C ATOM 921 O ASP A 60 -4.460 8.045 -1.844 1.00 24.02 O ATOM 922 CB ASP A 60 -4.233 10.736 -1.467 1.00 63.14 C ATOM 923 CG ASP A 60 -3.009 10.574 -0.589 1.00 11.31 C ATOM 924 OD1 ASP A 60 -3.103 9.865 0.435 1.00 23.40 O ATOM 925 OD2 ASP A 60 -1.956 11.155 -0.925 1.00 54.12 O ATOM 0 H ASP A 60 -4.700 11.164 -4.591 1.00 32.32 H new ATOM 0 HA ASP A 60 -3.057 10.504 -3.252 1.00 14.32 H new ATOM 0 HB2 ASP A 60 -4.488 11.793 -1.538 1.00 63.14 H new ATOM 0 HB3 ASP A 60 -5.081 10.235 -1.000 1.00 63.14 H new ATOM 931 N ILE A 61 -3.530 8.026 -3.893 1.00 24.30 N ATOM 932 CA ILE A 61 -3.473 6.571 -3.973 1.00 40.34 C ATOM 933 C ILE A 61 -2.085 6.099 -4.391 1.00 62.42 C ATOM 934 O ILE A 61 -1.502 6.583 -5.361 1.00 1.41 O ATOM 935 CB ILE A 61 -4.511 6.021 -4.968 1.00 55.14 C ATOM 936 CG1 ILE A 61 -5.868 6.694 -4.746 1.00 71.30 C ATOM 937 CG2 ILE A 61 -4.633 4.512 -4.825 1.00 64.42 C ATOM 938 CD1 ILE A 61 -6.909 6.305 -5.772 1.00 54.31 C ATOM 0 H ILE A 61 -3.165 8.508 -4.714 1.00 24.30 H new ATOM 0 HA ILE A 61 -3.700 6.190 -2.977 1.00 40.34 H new ATOM 0 HB ILE A 61 -4.176 6.245 -5.981 1.00 55.14 H new ATOM 0 HG12 ILE A 61 -6.234 6.436 -3.752 1.00 71.30 H new ATOM 0 HG13 ILE A 61 -5.736 7.776 -4.766 1.00 71.30 H new ATOM 0 HG21 ILE A 61 -5.371 4.138 -5.535 1.00 64.42 H new ATOM 0 HG22 ILE A 61 -3.667 4.048 -5.026 1.00 64.42 H new ATOM 0 HG23 ILE A 61 -4.949 4.267 -3.811 1.00 64.42 H new ATOM 0 HD11 ILE A 61 -7.845 6.819 -5.553 1.00 54.31 H new ATOM 0 HD12 ILE A 61 -6.563 6.588 -6.766 1.00 54.31 H new ATOM 0 HD13 ILE A 61 -7.070 5.227 -5.737 1.00 54.31 H new ATOM 950 N PRO A 62 -1.541 5.127 -3.643 1.00 33.42 N ATOM 951 CA PRO A 62 -0.216 4.564 -3.918 1.00 63.31 C ATOM 952 C PRO A 62 -0.194 3.729 -5.195 1.00 34.15 C ATOM 953 O PRO A 62 -1.122 2.967 -5.465 1.00 52.10 O ATOM 954 CB PRO A 62 0.055 3.680 -2.697 1.00 51.34 C ATOM 955 CG PRO A 62 -1.296 3.319 -2.184 1.00 65.43 C ATOM 956 CD PRO A 62 -2.179 4.502 -2.472 1.00 25.30 C ATOM 0 HA PRO A 62 0.532 5.341 -4.073 1.00 63.31 H new ATOM 0 HB2 PRO A 62 0.625 2.792 -2.970 1.00 51.34 H new ATOM 0 HB3 PRO A 62 0.635 4.213 -1.944 1.00 51.34 H new ATOM 0 HG2 PRO A 62 -1.673 2.422 -2.675 1.00 65.43 H new ATOM 0 HG3 PRO A 62 -1.264 3.107 -1.115 1.00 65.43 H new ATOM 0 HD2 PRO A 62 -3.203 4.196 -2.688 1.00 25.30 H new ATOM 0 HD3 PRO A 62 -2.223 5.187 -1.625 1.00 25.30 H new ATOM 964 N ASP A 63 0.871 3.878 -5.974 1.00 21.32 N ATOM 965 CA ASP A 63 1.015 3.136 -7.222 1.00 33.01 C ATOM 966 C ASP A 63 1.203 1.646 -6.950 1.00 3.31 C ATOM 967 O ASP A 63 1.156 0.828 -7.867 1.00 3.11 O ATOM 968 CB ASP A 63 2.199 3.674 -8.026 1.00 62.14 C ATOM 969 CG ASP A 63 2.098 5.165 -8.279 1.00 33.41 C ATOM 970 OD1 ASP A 63 0.992 5.722 -8.110 1.00 52.50 O ATOM 971 OD2 ASP A 63 3.123 5.775 -8.645 1.00 3.52 O ATOM 0 H ASP A 63 1.647 4.505 -5.764 1.00 21.32 H new ATOM 0 HA ASP A 63 0.102 3.268 -7.802 1.00 33.01 H new ATOM 0 HB2 ASP A 63 3.124 3.461 -7.491 1.00 62.14 H new ATOM 0 HB3 ASP A 63 2.255 3.150 -8.980 1.00 62.14 H new ATOM 977 N GLU A 64 1.418 1.304 -5.683 1.00 61.43 N ATOM 978 CA GLU A 64 1.616 -0.087 -5.292 1.00 72.22 C ATOM 979 C GLU A 64 0.292 -0.845 -5.291 1.00 75.51 C ATOM 980 O GLU A 64 0.233 -2.018 -5.663 1.00 52.55 O ATOM 981 CB GLU A 64 2.261 -0.164 -3.907 1.00 11.33 C ATOM 982 CG GLU A 64 3.455 0.761 -3.740 1.00 31.14 C ATOM 983 CD GLU A 64 4.553 0.484 -4.748 1.00 64.52 C ATOM 984 OE1 GLU A 64 5.393 1.381 -4.971 1.00 10.15 O ATOM 985 OE2 GLU A 64 4.572 -0.628 -5.315 1.00 23.25 O ATOM 0 H GLU A 64 1.459 1.970 -4.911 1.00 61.43 H new ATOM 0 HA GLU A 64 2.281 -0.551 -6.021 1.00 72.22 H new ATOM 0 HB2 GLU A 64 1.513 0.082 -3.153 1.00 11.33 H new ATOM 0 HB3 GLU A 64 2.578 -1.190 -3.719 1.00 11.33 H new ATOM 0 HG2 GLU A 64 3.126 1.795 -3.842 1.00 31.14 H new ATOM 0 HG3 GLU A 64 3.856 0.652 -2.732 1.00 31.14 H new ATOM 993 N LYS A 65 -0.771 -0.168 -4.869 1.00 34.42 N ATOM 994 CA LYS A 65 -2.096 -0.776 -4.818 1.00 43.33 C ATOM 995 C LYS A 65 -2.863 -0.516 -6.110 1.00 42.14 C ATOM 996 O LYS A 65 -3.692 -1.326 -6.527 1.00 12.12 O ATOM 997 CB LYS A 65 -2.885 -0.230 -3.626 1.00 41.43 C ATOM 998 CG LYS A 65 -3.568 1.098 -3.906 1.00 41.10 C ATOM 999 CD LYS A 65 -4.209 1.671 -2.652 1.00 2.52 C ATOM 1000 CE LYS A 65 -5.203 0.697 -2.039 1.00 22.12 C ATOM 1001 NZ LYS A 65 -6.105 0.106 -3.065 1.00 64.02 N ATOM 0 H LYS A 65 -0.741 0.803 -4.557 1.00 34.42 H new ATOM 0 HA LYS A 65 -1.970 -1.852 -4.700 1.00 43.33 H new ATOM 0 HB2 LYS A 65 -3.638 -0.962 -3.333 1.00 41.43 H new ATOM 0 HB3 LYS A 65 -2.210 -0.111 -2.778 1.00 41.43 H new ATOM 0 HG2 LYS A 65 -2.840 1.807 -4.300 1.00 41.10 H new ATOM 0 HG3 LYS A 65 -4.329 0.962 -4.675 1.00 41.10 H new ATOM 0 HD2 LYS A 65 -3.435 1.909 -1.923 1.00 2.52 H new ATOM 0 HD3 LYS A 65 -4.716 2.605 -2.895 1.00 2.52 H new ATOM 0 HE2 LYS A 65 -4.663 -0.100 -1.528 1.00 22.12 H new ATOM 0 HE3 LYS A 65 -5.799 1.212 -1.285 1.00 22.12 H new ATOM 0 HZ1 LYS A 65 -7.041 -0.068 -2.646 1.00 64.02 H new ATOM 0 HZ2 LYS A 65 -6.201 0.765 -3.864 1.00 64.02 H new ATOM 0 HZ3 LYS A 65 -5.704 -0.792 -3.403 1.00 64.02 H new ATOM 1015 N THR A 66 -2.580 0.619 -6.744 1.00 11.15 N ATOM 1016 CA THR A 66 -3.242 0.986 -7.989 1.00 35.51 C ATOM 1017 C THR A 66 -2.708 0.166 -9.158 1.00 11.22 C ATOM 1018 O THR A 66 -3.430 -0.113 -10.115 1.00 13.30 O ATOM 1019 CB THR A 66 -3.064 2.483 -8.301 1.00 62.52 C ATOM 1020 OG1 THR A 66 -3.652 3.274 -7.262 1.00 61.14 O ATOM 1021 CG2 THR A 66 -3.700 2.837 -9.637 1.00 64.53 C ATOM 0 H THR A 66 -1.896 1.300 -6.414 1.00 11.15 H new ATOM 0 HA THR A 66 -4.303 0.775 -7.856 1.00 35.51 H new ATOM 0 HB THR A 66 -1.996 2.695 -8.358 1.00 62.52 H new ATOM 0 HG1 THR A 66 -3.533 4.225 -7.467 1.00 61.14 H new ATOM 0 HG21 THR A 66 -3.561 3.900 -9.836 1.00 64.53 H new ATOM 0 HG22 THR A 66 -3.229 2.255 -10.430 1.00 64.53 H new ATOM 0 HG23 THR A 66 -4.766 2.610 -9.604 1.00 64.53 H new ATOM 1029 N MET A 67 -1.438 -0.216 -9.074 1.00 33.35 N ATOM 1030 CA MET A 67 -0.806 -1.006 -10.125 1.00 73.24 C ATOM 1031 C MET A 67 -1.657 -2.223 -10.476 1.00 42.31 C ATOM 1032 O MET A 67 -2.087 -2.401 -11.616 1.00 25.15 O ATOM 1033 CB MET A 67 0.589 -1.454 -9.688 1.00 3.21 C ATOM 1034 CG MET A 67 1.711 -0.638 -10.310 1.00 23.25 C ATOM 1035 SD MET A 67 2.098 -1.158 -11.992 1.00 23.14 S ATOM 1036 CE MET A 67 1.012 -0.090 -12.935 1.00 10.21 C ATOM 0 H MET A 67 -0.826 0.008 -8.289 1.00 33.35 H new ATOM 0 HA MET A 67 -0.716 -0.379 -11.012 1.00 73.24 H new ATOM 0 HB2 MET A 67 0.660 -1.386 -8.602 1.00 3.21 H new ATOM 0 HB3 MET A 67 0.724 -2.503 -9.952 1.00 3.21 H new ATOM 0 HG2 MET A 67 1.429 0.415 -10.315 1.00 23.25 H new ATOM 0 HG3 MET A 67 2.605 -0.726 -9.692 1.00 23.25 H new ATOM 0 HE1 MET A 67 0.299 -0.697 -13.493 1.00 10.21 H new ATOM 0 HE2 MET A 67 0.473 0.571 -12.257 1.00 10.21 H new ATOM 0 HE3 MET A 67 1.602 0.507 -13.630 1.00 10.21 H new ATOM 1046 N PRO A 68 -1.907 -3.080 -9.475 1.00 42.34 N ATOM 1047 CA PRO A 68 -2.709 -4.294 -9.654 1.00 5.05 C ATOM 1048 C PRO A 68 -4.183 -3.987 -9.889 1.00 52.23 C ATOM 1049 O PRO A 68 -4.944 -4.846 -10.334 1.00 14.14 O ATOM 1050 CB PRO A 68 -2.522 -5.041 -8.331 1.00 43.23 C ATOM 1051 CG PRO A 68 -2.199 -3.977 -7.339 1.00 4.04 C ATOM 1052 CD PRO A 68 -1.426 -2.930 -8.092 1.00 14.11 C ATOM 0 HA PRO A 68 -2.396 -4.863 -10.529 1.00 5.05 H new ATOM 0 HB2 PRO A 68 -3.425 -5.583 -8.051 1.00 43.23 H new ATOM 0 HB3 PRO A 68 -1.719 -5.775 -8.400 1.00 43.23 H new ATOM 0 HG2 PRO A 68 -3.108 -3.557 -6.908 1.00 4.04 H new ATOM 0 HG3 PRO A 68 -1.611 -4.378 -6.514 1.00 4.04 H new ATOM 0 HD2 PRO A 68 -1.622 -1.930 -7.705 1.00 14.11 H new ATOM 0 HD3 PRO A 68 -0.351 -3.095 -8.020 1.00 14.11 H new ATOM 1060 N VAL A 69 -4.581 -2.754 -9.588 1.00 13.01 N ATOM 1061 CA VAL A 69 -5.965 -2.332 -9.768 1.00 63.21 C ATOM 1062 C VAL A 69 -6.244 -1.967 -11.222 1.00 0.43 C ATOM 1063 O VAL A 69 -7.141 -2.526 -11.853 1.00 63.53 O ATOM 1064 CB VAL A 69 -6.304 -1.126 -8.873 1.00 74.01 C ATOM 1065 CG1 VAL A 69 -7.602 -0.473 -9.326 1.00 63.50 C ATOM 1066 CG2 VAL A 69 -6.394 -1.553 -7.415 1.00 43.43 C ATOM 0 H VAL A 69 -3.964 -2.030 -9.219 1.00 13.01 H new ATOM 0 HA VAL A 69 -6.593 -3.176 -9.482 1.00 63.21 H new ATOM 0 HB VAL A 69 -5.504 -0.392 -8.964 1.00 74.01 H new ATOM 0 HG11 VAL A 69 -7.826 0.377 -8.682 1.00 63.50 H new ATOM 0 HG12 VAL A 69 -7.497 -0.131 -10.356 1.00 63.50 H new ATOM 0 HG13 VAL A 69 -8.414 -1.197 -9.265 1.00 63.50 H new ATOM 0 HG21 VAL A 69 -6.634 -0.688 -6.797 1.00 43.43 H new ATOM 0 HG22 VAL A 69 -7.174 -2.306 -7.304 1.00 43.43 H new ATOM 0 HG23 VAL A 69 -5.438 -1.971 -7.099 1.00 43.43 H new ATOM 1076 N LEU A 70 -5.468 -1.025 -11.748 1.00 71.34 N ATOM 1077 CA LEU A 70 -5.631 -0.584 -13.129 1.00 20.43 C ATOM 1078 C LEU A 70 -5.507 -1.760 -14.094 1.00 40.31 C ATOM 1079 O LEU A 70 -6.229 -1.837 -15.088 1.00 31.31 O ATOM 1080 CB LEU A 70 -4.589 0.482 -13.471 1.00 3.54 C ATOM 1081 CG LEU A 70 -3.151 -0.013 -13.634 1.00 53.40 C ATOM 1082 CD1 LEU A 70 -2.847 -0.296 -15.097 1.00 44.50 C ATOM 1083 CD2 LEU A 70 -2.170 1.006 -13.071 1.00 22.44 C ATOM 0 H LEU A 70 -4.721 -0.553 -11.240 1.00 71.34 H new ATOM 0 HA LEU A 70 -6.628 -0.156 -13.233 1.00 20.43 H new ATOM 0 HB2 LEU A 70 -4.890 0.972 -14.397 1.00 3.54 H new ATOM 0 HB3 LEU A 70 -4.604 1.241 -12.689 1.00 3.54 H new ATOM 0 HG LEU A 70 -3.041 -0.942 -13.075 1.00 53.40 H new ATOM 0 HD11 LEU A 70 -1.820 -0.647 -15.194 1.00 44.50 H new ATOM 0 HD12 LEU A 70 -3.529 -1.061 -15.469 1.00 44.50 H new ATOM 0 HD13 LEU A 70 -2.975 0.617 -15.678 1.00 44.50 H new ATOM 0 HD21 LEU A 70 -1.152 0.638 -13.195 1.00 22.44 H new ATOM 0 HD22 LEU A 70 -2.282 1.951 -13.603 1.00 22.44 H new ATOM 0 HD23 LEU A 70 -2.373 1.160 -12.011 1.00 22.44 H new ATOM 1095 N MET A 71 -4.589 -2.672 -13.792 1.00 70.15 N ATOM 1096 CA MET A 71 -4.374 -3.845 -14.632 1.00 73.51 C ATOM 1097 C MET A 71 -5.565 -4.794 -14.553 1.00 23.30 C ATOM 1098 O MET A 71 -5.815 -5.571 -15.476 1.00 73.23 O ATOM 1099 CB MET A 71 -3.097 -4.573 -14.209 1.00 22.40 C ATOM 1100 CG MET A 71 -3.275 -5.445 -12.976 1.00 2.20 C ATOM 1101 SD MET A 71 -1.845 -6.498 -12.658 1.00 14.40 S ATOM 1102 CE MET A 71 -2.094 -7.783 -13.879 1.00 44.05 C ATOM 0 H MET A 71 -3.983 -2.622 -12.973 1.00 70.15 H new ATOM 0 HA MET A 71 -4.267 -3.509 -15.664 1.00 73.51 H new ATOM 0 HB2 MET A 71 -2.751 -5.193 -15.036 1.00 22.40 H new ATOM 0 HB3 MET A 71 -2.317 -3.837 -14.014 1.00 22.40 H new ATOM 0 HG2 MET A 71 -3.453 -4.809 -12.109 1.00 2.20 H new ATOM 0 HG3 MET A 71 -4.160 -6.069 -13.101 1.00 2.20 H new ATOM 0 HE1 MET A 71 -1.339 -8.559 -13.750 1.00 44.05 H new ATOM 0 HE2 MET A 71 -3.086 -8.217 -13.753 1.00 44.05 H new ATOM 0 HE3 MET A 71 -2.009 -7.357 -14.879 1.00 44.05 H new ATOM 1112 N LYS A 72 -6.298 -4.729 -13.447 1.00 2.33 N ATOM 1113 CA LYS A 72 -7.463 -5.582 -13.248 1.00 41.11 C ATOM 1114 C LYS A 72 -8.533 -5.294 -14.297 1.00 30.32 C ATOM 1115 O LYS A 72 -9.291 -6.184 -14.685 1.00 25.22 O ATOM 1116 CB LYS A 72 -8.039 -5.374 -11.846 1.00 34.12 C ATOM 1117 CG LYS A 72 -8.953 -6.499 -11.390 1.00 63.31 C ATOM 1118 CD LYS A 72 -8.160 -7.704 -10.915 1.00 5.32 C ATOM 1119 CE LYS A 72 -7.400 -7.400 -9.632 1.00 70.44 C ATOM 1120 NZ LYS A 72 -7.382 -8.568 -8.708 1.00 72.53 N ATOM 0 H LYS A 72 -6.105 -4.093 -12.673 1.00 2.33 H new ATOM 0 HA LYS A 72 -7.146 -6.619 -13.353 1.00 41.11 H new ATOM 0 HB2 LYS A 72 -7.218 -5.274 -11.136 1.00 34.12 H new ATOM 0 HB3 LYS A 72 -8.594 -4.436 -11.826 1.00 34.12 H new ATOM 0 HG2 LYS A 72 -9.594 -6.144 -10.584 1.00 63.31 H new ATOM 0 HG3 LYS A 72 -9.607 -6.793 -12.211 1.00 63.31 H new ATOM 0 HD2 LYS A 72 -8.836 -8.543 -10.749 1.00 5.32 H new ATOM 0 HD3 LYS A 72 -7.458 -8.008 -11.692 1.00 5.32 H new ATOM 0 HE2 LYS A 72 -6.377 -7.114 -9.875 1.00 70.44 H new ATOM 0 HE3 LYS A 72 -7.859 -6.548 -9.131 1.00 70.44 H new ATOM 0 HZ1 LYS A 72 -6.855 -8.321 -7.846 1.00 72.53 H new ATOM 0 HZ2 LYS A 72 -8.357 -8.826 -8.455 1.00 72.53 H new ATOM 0 HZ3 LYS A 72 -6.921 -9.374 -9.176 1.00 72.53 H new ATOM 1134 N LEU A 73 -8.588 -4.048 -14.752 1.00 74.23 N ATOM 1135 CA LEU A 73 -9.565 -3.643 -15.757 1.00 61.33 C ATOM 1136 C LEU A 73 -9.098 -4.029 -17.157 1.00 45.30 C ATOM 1137 O LEU A 73 -9.843 -4.635 -17.928 1.00 44.43 O ATOM 1138 CB LEU A 73 -9.806 -2.134 -15.685 1.00 64.04 C ATOM 1139 CG LEU A 73 -9.656 -1.496 -14.304 1.00 2.13 C ATOM 1140 CD1 LEU A 73 -9.944 -0.005 -14.371 1.00 54.54 C ATOM 1141 CD2 LEU A 73 -10.575 -2.175 -13.300 1.00 31.11 C ATOM 0 H LEU A 73 -7.968 -3.300 -14.441 1.00 74.23 H new ATOM 0 HA LEU A 73 -10.500 -4.164 -15.549 1.00 61.33 H new ATOM 0 HB2 LEU A 73 -9.113 -1.643 -16.368 1.00 64.04 H new ATOM 0 HB3 LEU A 73 -10.812 -1.929 -16.051 1.00 64.04 H new ATOM 0 HG LEU A 73 -8.627 -1.631 -13.972 1.00 2.13 H new ATOM 0 HD11 LEU A 73 -9.832 0.432 -13.379 1.00 54.54 H new ATOM 0 HD12 LEU A 73 -9.244 0.470 -15.058 1.00 54.54 H new ATOM 0 HD13 LEU A 73 -10.963 0.153 -14.725 1.00 54.54 H new ATOM 0 HD21 LEU A 73 -10.455 -1.708 -12.323 1.00 31.11 H new ATOM 0 HD22 LEU A 73 -11.610 -2.072 -13.626 1.00 31.11 H new ATOM 0 HD23 LEU A 73 -10.320 -3.232 -13.230 1.00 31.11 H new ATOM 1153 N LEU A 74 -7.858 -3.676 -17.479 1.00 1.01 N ATOM 1154 CA LEU A 74 -7.288 -3.987 -18.785 1.00 22.31 C ATOM 1155 C LEU A 74 -7.120 -5.493 -18.962 1.00 13.11 C ATOM 1156 O LEU A 74 -7.055 -5.992 -20.084 1.00 45.23 O ATOM 1157 CB LEU A 74 -5.937 -3.288 -18.955 1.00 74.30 C ATOM 1158 CG LEU A 74 -5.943 -1.769 -18.791 1.00 42.45 C ATOM 1159 CD1 LEU A 74 -5.009 -1.349 -17.667 1.00 14.21 C ATOM 1160 CD2 LEU A 74 -5.550 -1.090 -20.095 1.00 23.00 C ATOM 0 H LEU A 74 -7.228 -3.174 -16.853 1.00 1.01 H new ATOM 0 HA LEU A 74 -7.976 -3.624 -19.549 1.00 22.31 H new ATOM 0 HB2 LEU A 74 -5.239 -3.709 -18.231 1.00 74.30 H new ATOM 0 HB3 LEU A 74 -5.550 -3.525 -19.946 1.00 74.30 H new ATOM 0 HG LEU A 74 -6.954 -1.455 -18.531 1.00 42.45 H new ATOM 0 HD11 LEU A 74 -5.027 -0.264 -17.565 1.00 14.21 H new ATOM 0 HD12 LEU A 74 -5.335 -1.806 -16.733 1.00 14.21 H new ATOM 0 HD13 LEU A 74 -3.994 -1.675 -17.896 1.00 14.21 H new ATOM 0 HD21 LEU A 74 -5.560 -0.009 -19.959 1.00 23.00 H new ATOM 0 HD22 LEU A 74 -4.549 -1.410 -20.385 1.00 23.00 H new ATOM 0 HD23 LEU A 74 -6.259 -1.364 -20.876 1.00 23.00 H new ATOM 1172 N GLU A 75 -7.053 -6.210 -17.844 1.00 63.41 N ATOM 1173 CA GLU A 75 -6.894 -7.659 -17.877 1.00 25.41 C ATOM 1174 C GLU A 75 -8.169 -8.335 -18.373 1.00 33.40 C ATOM 1175 O GLU A 75 -8.135 -9.139 -19.304 1.00 35.44 O ATOM 1176 CB GLU A 75 -6.532 -8.186 -16.486 1.00 63.02 C ATOM 1177 CG GLU A 75 -5.036 -8.246 -16.229 1.00 63.33 C ATOM 1178 CD GLU A 75 -4.445 -9.609 -16.535 1.00 44.01 C ATOM 1179 OE1 GLU A 75 -4.465 -10.011 -17.717 1.00 63.33 O ATOM 1180 OE2 GLU A 75 -3.963 -10.272 -15.594 1.00 30.40 O ATOM 0 H GLU A 75 -7.106 -5.812 -16.906 1.00 63.41 H new ATOM 0 HA GLU A 75 -6.086 -7.895 -18.569 1.00 25.41 H new ATOM 0 HB2 GLU A 75 -6.996 -7.549 -15.733 1.00 63.02 H new ATOM 0 HB3 GLU A 75 -6.954 -9.184 -16.363 1.00 63.02 H new ATOM 0 HG2 GLU A 75 -4.536 -7.493 -16.838 1.00 63.33 H new ATOM 0 HG3 GLU A 75 -4.840 -7.995 -15.187 1.00 63.33 H new ATOM 1188 N GLU A 76 -9.291 -8.004 -17.742 1.00 35.04 N ATOM 1189 CA GLU A 76 -10.577 -8.581 -18.118 1.00 10.31 C ATOM 1190 C GLU A 76 -11.121 -7.919 -19.381 1.00 64.53 C ATOM 1191 O GLU A 76 -11.705 -8.582 -20.238 1.00 72.23 O ATOM 1192 CB GLU A 76 -11.584 -8.427 -16.976 1.00 11.34 C ATOM 1193 CG GLU A 76 -11.154 -9.112 -15.689 1.00 5.30 C ATOM 1194 CD GLU A 76 -10.948 -10.604 -15.863 1.00 1.00 C ATOM 1195 OE1 GLU A 76 -9.780 -11.049 -15.835 1.00 53.44 O ATOM 1196 OE2 GLU A 76 -11.952 -11.327 -16.027 1.00 71.25 O ATOM 0 H GLU A 76 -9.336 -7.340 -16.969 1.00 35.04 H new ATOM 0 HA GLU A 76 -10.425 -9.641 -18.319 1.00 10.31 H new ATOM 0 HB2 GLU A 76 -11.738 -7.366 -16.779 1.00 11.34 H new ATOM 0 HB3 GLU A 76 -12.544 -8.835 -17.292 1.00 11.34 H new ATOM 0 HG2 GLU A 76 -10.228 -8.660 -15.333 1.00 5.30 H new ATOM 0 HG3 GLU A 76 -11.908 -8.940 -14.921 1.00 5.30 H new ATOM 1204 N ALA A 77 -10.924 -6.610 -19.489 1.00 51.30 N ATOM 1205 CA ALA A 77 -11.392 -5.859 -20.647 1.00 54.01 C ATOM 1206 C ALA A 77 -10.526 -6.139 -21.870 1.00 72.04 C ATOM 1207 O ALA A 77 -10.862 -5.742 -22.985 1.00 60.01 O ATOM 1208 CB ALA A 77 -11.409 -4.369 -20.338 1.00 63.44 C ATOM 0 H ALA A 77 -10.443 -6.047 -18.788 1.00 51.30 H new ATOM 0 HA ALA A 77 -12.408 -6.183 -20.873 1.00 54.01 H new ATOM 0 HB1 ALA A 77 -11.761 -3.820 -21.212 1.00 63.44 H new ATOM 0 HB2 ALA A 77 -12.077 -4.179 -19.497 1.00 63.44 H new ATOM 0 HB3 ALA A 77 -10.402 -4.039 -20.083 1.00 63.44 H new ATOM 1214 N GLY A 78 -9.409 -6.826 -21.653 1.00 3.23 N ATOM 1215 CA GLY A 78 -8.511 -7.147 -22.747 1.00 0.12 C ATOM 1216 C GLY A 78 -7.499 -6.049 -23.008 1.00 52.44 C ATOM 1217 O GLY A 78 -6.531 -6.247 -23.741 1.00 31.41 O ATOM 0 H GLY A 78 -9.110 -7.166 -20.739 1.00 3.23 H new ATOM 0 HA2 GLY A 78 -7.986 -8.075 -22.521 1.00 0.12 H new ATOM 0 HA3 GLY A 78 -9.093 -7.322 -23.651 1.00 0.12 H new ATOM 1221 N GLY A 79 -7.724 -4.884 -22.407 1.00 60.13 N ATOM 1222 CA GLY A 79 -6.817 -3.766 -22.593 1.00 0.43 C ATOM 1223 C GLY A 79 -7.439 -2.641 -23.395 1.00 51.12 C ATOM 1224 O GLY A 79 -6.821 -2.111 -24.317 1.00 31.43 O ATOM 0 H GLY A 79 -8.518 -4.695 -21.795 1.00 60.13 H new ATOM 0 HA2 GLY A 79 -6.509 -3.386 -21.619 1.00 0.43 H new ATOM 0 HA3 GLY A 79 -5.916 -4.113 -23.099 1.00 0.43 H new ATOM 1228 N ASN A 80 -8.668 -2.275 -23.044 1.00 71.53 N ATOM 1229 CA ASN A 80 -9.376 -1.208 -23.740 1.00 50.23 C ATOM 1230 C ASN A 80 -9.497 0.030 -22.856 1.00 50.25 C ATOM 1231 O ASN A 80 -10.355 0.095 -21.975 1.00 5.02 O ATOM 1232 CB ASN A 80 -10.767 -1.681 -24.166 1.00 33.54 C ATOM 1233 CG ASN A 80 -11.122 -1.242 -25.573 1.00 52.43 C ATOM 1234 OD1 ASN A 80 -11.322 0.059 -25.754 1.00 41.32 O flip ATOM 1235 ND2 ASN A 80 -11.216 -2.062 -26.487 1.00 34.04 N flip ATOM 0 H ASN A 80 -9.194 -2.702 -22.281 1.00 71.53 H new ATOM 0 HA ASN A 80 -8.802 -0.945 -24.629 1.00 50.23 H new ATOM 0 HB2 ASN A 80 -10.812 -2.768 -24.106 1.00 33.54 H new ATOM 0 HB3 ASN A 80 -11.509 -1.292 -23.469 1.00 33.54 H new ATOM 0 HD21 ASN A 80 -11.054 -3.052 -26.303 1.00 34.04 H new ATOM 0 HD22 ASN A 80 -11.456 -1.751 -27.428 1.00 34.04 H new ATOM 1242 N TRP A 81 -8.635 1.011 -23.099 1.00 71.23 N ATOM 1243 CA TRP A 81 -8.645 2.248 -22.327 1.00 35.50 C ATOM 1244 C TRP A 81 -9.894 3.069 -22.631 1.00 11.42 C ATOM 1245 O TRP A 81 -10.393 3.798 -21.773 1.00 64.35 O ATOM 1246 CB TRP A 81 -7.392 3.071 -22.626 1.00 11.31 C ATOM 1247 CG TRP A 81 -6.134 2.450 -22.098 1.00 62.14 C ATOM 1248 CD1 TRP A 81 -5.296 1.602 -22.767 1.00 14.11 C ATOM 1249 CD2 TRP A 81 -5.572 2.626 -20.795 1.00 13.45 C ATOM 1250 NE1 TRP A 81 -4.248 1.241 -21.956 1.00 15.34 N ATOM 1251 CE2 TRP A 81 -4.393 1.857 -20.740 1.00 32.01 C ATOM 1252 CE3 TRP A 81 -5.948 3.362 -19.667 1.00 33.43 C ATOM 1253 CZ2 TRP A 81 -3.592 1.802 -19.602 1.00 64.35 C ATOM 1254 CZ3 TRP A 81 -5.152 3.306 -18.539 1.00 32.53 C ATOM 1255 CH2 TRP A 81 -3.984 2.531 -18.514 1.00 20.14 C ATOM 0 H TRP A 81 -7.920 0.974 -23.825 1.00 71.23 H new ATOM 0 HA TRP A 81 -8.654 1.987 -21.269 1.00 35.50 H new ATOM 0 HB2 TRP A 81 -7.300 3.201 -23.704 1.00 11.31 H new ATOM 0 HB3 TRP A 81 -7.507 4.065 -22.194 1.00 11.31 H new ATOM 0 HD1 TRP A 81 -5.437 1.266 -23.783 1.00 14.11 H new ATOM 0 HE1 TRP A 81 -3.485 0.616 -22.216 1.00 15.34 H new ATOM 0 HE3 TRP A 81 -6.845 3.964 -19.677 1.00 33.43 H new ATOM 0 HZ2 TRP A 81 -2.693 1.204 -19.580 1.00 64.35 H new ATOM 0 HZ3 TRP A 81 -5.434 3.869 -17.662 1.00 32.53 H new ATOM 0 HH2 TRP A 81 -3.382 2.509 -17.618 1.00 20.14 H new ATOM 1266 N SER A 82 -10.393 2.946 -23.856 1.00 44.45 N ATOM 1267 CA SER A 82 -11.581 3.682 -24.275 1.00 63.42 C ATOM 1268 C SER A 82 -12.744 3.421 -23.322 1.00 70.01 C ATOM 1269 O SER A 82 -13.333 4.354 -22.777 1.00 75.05 O ATOM 1270 CB SER A 82 -11.975 3.286 -25.700 1.00 11.11 C ATOM 1271 OG SER A 82 -12.984 4.144 -26.205 1.00 25.42 O ATOM 0 H SER A 82 -9.994 2.344 -24.576 1.00 44.45 H new ATOM 0 HA SER A 82 -11.347 4.746 -24.253 1.00 63.42 H new ATOM 0 HB2 SER A 82 -11.100 3.327 -26.348 1.00 11.11 H new ATOM 0 HB3 SER A 82 -12.330 2.256 -25.710 1.00 11.11 H new ATOM 0 HG SER A 82 -13.218 3.872 -27.117 1.00 25.42 H new ATOM 1277 N TYR A 83 -13.068 2.148 -23.128 1.00 24.10 N ATOM 1278 CA TYR A 83 -14.161 1.764 -22.243 1.00 4.42 C ATOM 1279 C TYR A 83 -13.769 1.948 -20.780 1.00 43.02 C ATOM 1280 O TYR A 83 -14.586 2.354 -19.954 1.00 54.44 O ATOM 1281 CB TYR A 83 -14.562 0.310 -22.497 1.00 12.14 C ATOM 1282 CG TYR A 83 -15.280 -0.332 -21.330 1.00 40.20 C ATOM 1283 CD1 TYR A 83 -14.575 -0.998 -20.336 1.00 3.03 C ATOM 1284 CD2 TYR A 83 -16.664 -0.270 -21.223 1.00 72.30 C ATOM 1285 CE1 TYR A 83 -15.227 -1.586 -19.270 1.00 22.35 C ATOM 1286 CE2 TYR A 83 -17.325 -0.854 -20.158 1.00 63.50 C ATOM 1287 CZ TYR A 83 -16.601 -1.512 -19.185 1.00 51.03 C ATOM 1288 OH TYR A 83 -17.255 -2.096 -18.123 1.00 45.45 O ATOM 0 H TYR A 83 -12.589 1.364 -23.572 1.00 24.10 H new ATOM 0 HA TYR A 83 -15.012 2.412 -22.455 1.00 4.42 H new ATOM 0 HB2 TYR A 83 -15.205 0.267 -23.376 1.00 12.14 H new ATOM 0 HB3 TYR A 83 -13.668 -0.270 -22.727 1.00 12.14 H new ATOM 0 HD1 TYR A 83 -13.498 -1.057 -20.398 1.00 3.03 H new ATOM 0 HD2 TYR A 83 -17.233 0.243 -21.984 1.00 72.30 H new ATOM 0 HE1 TYR A 83 -14.663 -2.101 -18.507 1.00 22.35 H new ATOM 0 HE2 TYR A 83 -18.401 -0.795 -20.088 1.00 63.50 H new ATOM 0 HH TYR A 83 -18.220 -1.952 -18.214 1.00 45.45 H new ATOM 1298 N ILE A 84 -12.513 1.646 -20.469 1.00 21.10 N ATOM 1299 CA ILE A 84 -12.011 1.780 -19.107 1.00 62.34 C ATOM 1300 C ILE A 84 -11.980 3.241 -18.673 1.00 60.23 C ATOM 1301 O ILE A 84 -12.036 3.548 -17.482 1.00 1.32 O ATOM 1302 CB ILE A 84 -10.597 1.185 -18.967 1.00 63.03 C ATOM 1303 CG1 ILE A 84 -10.641 -0.335 -19.135 1.00 64.34 C ATOM 1304 CG2 ILE A 84 -9.997 1.557 -17.620 1.00 2.23 C ATOM 1305 CD1 ILE A 84 -9.277 -0.961 -19.332 1.00 70.55 C ATOM 0 H ILE A 84 -11.825 1.307 -21.141 1.00 21.10 H new ATOM 0 HA ILE A 84 -12.695 1.227 -18.463 1.00 62.34 H new ATOM 0 HB ILE A 84 -9.965 1.600 -19.752 1.00 63.03 H new ATOM 0 HG12 ILE A 84 -11.111 -0.776 -18.256 1.00 64.34 H new ATOM 0 HG13 ILE A 84 -11.271 -0.580 -19.990 1.00 64.34 H new ATOM 0 HG21 ILE A 84 -8.998 1.129 -17.536 1.00 2.23 H new ATOM 0 HG22 ILE A 84 -9.935 2.642 -17.536 1.00 2.23 H new ATOM 0 HG23 ILE A 84 -10.627 1.167 -16.821 1.00 2.23 H new ATOM 0 HD11 ILE A 84 -9.385 -2.040 -19.444 1.00 70.55 H new ATOM 0 HD12 ILE A 84 -8.813 -0.548 -20.227 1.00 70.55 H new ATOM 0 HD13 ILE A 84 -8.650 -0.747 -18.466 1.00 70.55 H new ATOM 1317 N LYS A 85 -11.894 4.141 -19.647 1.00 25.41 N ATOM 1318 CA LYS A 85 -11.859 5.571 -19.369 1.00 34.21 C ATOM 1319 C LYS A 85 -13.223 6.208 -19.621 1.00 4.12 C ATOM 1320 O LYS A 85 -13.404 7.409 -19.419 1.00 51.24 O ATOM 1321 CB LYS A 85 -10.797 6.255 -20.233 1.00 61.11 C ATOM 1322 CG LYS A 85 -11.334 6.780 -21.553 1.00 12.32 C ATOM 1323 CD LYS A 85 -10.281 6.719 -22.646 1.00 43.15 C ATOM 1324 CE LYS A 85 -8.970 7.345 -22.194 1.00 74.42 C ATOM 1325 NZ LYS A 85 -8.387 8.230 -23.240 1.00 61.15 N ATOM 0 H LYS A 85 -11.847 3.904 -20.638 1.00 25.41 H new ATOM 0 HA LYS A 85 -11.603 5.705 -18.318 1.00 34.21 H new ATOM 0 HB2 LYS A 85 -10.362 7.082 -19.672 1.00 61.11 H new ATOM 0 HB3 LYS A 85 -9.992 5.548 -20.433 1.00 61.11 H new ATOM 0 HG2 LYS A 85 -12.204 6.195 -21.851 1.00 12.32 H new ATOM 0 HG3 LYS A 85 -11.670 7.809 -21.427 1.00 12.32 H new ATOM 0 HD2 LYS A 85 -10.110 5.681 -22.931 1.00 43.15 H new ATOM 0 HD3 LYS A 85 -10.646 7.237 -23.533 1.00 43.15 H new ATOM 0 HE2 LYS A 85 -9.138 7.921 -21.284 1.00 74.42 H new ATOM 0 HE3 LYS A 85 -8.258 6.558 -21.947 1.00 74.42 H new ATOM 0 HZ1 LYS A 85 -7.495 8.637 -22.893 1.00 61.15 H new ATOM 0 HZ2 LYS A 85 -8.203 7.676 -24.101 1.00 61.15 H new ATOM 0 HZ3 LYS A 85 -9.055 8.997 -23.458 1.00 61.15 H new ATOM 1339 N LEU A 86 -14.177 5.396 -20.060 1.00 23.42 N ATOM 1340 CA LEU A 86 -15.525 5.879 -20.339 1.00 2.25 C ATOM 1341 C LEU A 86 -16.068 6.683 -19.162 1.00 31.22 C ATOM 1342 O LEU A 86 -16.858 7.610 -19.343 1.00 32.02 O ATOM 1343 CB LEU A 86 -16.457 4.705 -20.643 1.00 3.14 C ATOM 1344 CG LEU A 86 -17.597 4.989 -21.621 1.00 14.31 C ATOM 1345 CD1 LEU A 86 -18.555 6.016 -21.039 1.00 13.42 C ATOM 1346 CD2 LEU A 86 -17.048 5.466 -22.957 1.00 43.10 C ATOM 0 H LEU A 86 -14.043 4.399 -20.231 1.00 23.42 H new ATOM 0 HA LEU A 86 -15.478 6.531 -21.211 1.00 2.25 H new ATOM 0 HB2 LEU A 86 -15.859 3.886 -21.042 1.00 3.14 H new ATOM 0 HB3 LEU A 86 -16.888 4.357 -19.704 1.00 3.14 H new ATOM 0 HG LEU A 86 -18.147 4.063 -21.787 1.00 14.31 H new ATOM 0 HD11 LEU A 86 -19.360 6.206 -21.749 1.00 13.42 H new ATOM 0 HD12 LEU A 86 -18.975 5.635 -20.108 1.00 13.42 H new ATOM 0 HD13 LEU A 86 -18.018 6.944 -20.843 1.00 13.42 H new ATOM 0 HD21 LEU A 86 -17.874 5.663 -23.640 1.00 43.10 H new ATOM 0 HD22 LEU A 86 -16.474 6.380 -22.809 1.00 43.10 H new ATOM 0 HD23 LEU A 86 -16.402 4.697 -23.381 1.00 43.10 H new ATOM 1358 N ASP A 87 -15.639 6.323 -17.957 1.00 41.11 N ATOM 1359 CA ASP A 87 -16.080 7.013 -16.751 1.00 72.21 C ATOM 1360 C ASP A 87 -14.896 7.630 -16.015 1.00 1.50 C ATOM 1361 O ASP A 87 -14.942 7.828 -14.801 1.00 5.33 O ATOM 1362 CB ASP A 87 -16.822 6.045 -15.826 1.00 61.24 C ATOM 1363 CG ASP A 87 -18.045 5.439 -16.486 1.00 31.33 C ATOM 1364 OD1 ASP A 87 -18.027 4.221 -16.763 1.00 75.55 O ATOM 1365 OD2 ASP A 87 -19.021 6.182 -16.723 1.00 2.32 O ATOM 0 H ASP A 87 -14.986 5.557 -17.790 1.00 41.11 H new ATOM 0 HA ASP A 87 -16.758 7.813 -17.047 1.00 72.21 H new ATOM 0 HB2 ASP A 87 -16.145 5.248 -15.520 1.00 61.24 H new ATOM 0 HB3 ASP A 87 -17.124 6.571 -14.921 1.00 61.24 H new ATOM 1371 N ASN A 88 -13.836 7.933 -16.758 1.00 52.12 N ATOM 1372 CA ASN A 88 -12.638 8.528 -16.175 1.00 61.21 C ATOM 1373 C ASN A 88 -11.961 7.555 -15.214 1.00 45.24 C ATOM 1374 O ASN A 88 -11.542 7.937 -14.122 1.00 4.12 O ATOM 1375 CB ASN A 88 -12.992 9.824 -15.443 1.00 21.44 C ATOM 1376 CG ASN A 88 -11.874 10.847 -15.507 1.00 71.34 C ATOM 1377 OD1 ASN A 88 -12.061 11.953 -16.015 1.00 1.01 O ATOM 1378 ND2 ASN A 88 -10.706 10.482 -14.993 1.00 74.43 N ATOM 0 H ASN A 88 -13.782 7.776 -17.764 1.00 52.12 H new ATOM 0 HA ASN A 88 -11.943 8.754 -16.984 1.00 61.21 H new ATOM 0 HB2 ASN A 88 -13.896 10.249 -15.879 1.00 21.44 H new ATOM 0 HB3 ASN A 88 -13.217 9.600 -14.400 1.00 21.44 H new ATOM 0 HD21 ASN A 88 -9.917 11.129 -15.009 1.00 74.43 H new ATOM 0 HD22 ASN A 88 -10.597 9.555 -14.582 1.00 74.43 H new ATOM 1385 N TYR A 89 -11.857 6.298 -15.630 1.00 21.12 N ATOM 1386 CA TYR A 89 -11.232 5.270 -14.806 1.00 10.23 C ATOM 1387 C TYR A 89 -11.994 5.081 -13.498 1.00 52.25 C ATOM 1388 O TYR A 89 -11.404 4.794 -12.456 1.00 54.44 O ATOM 1389 CB TYR A 89 -9.776 5.638 -14.512 1.00 20.42 C ATOM 1390 CG TYR A 89 -8.938 5.836 -15.755 1.00 55.11 C ATOM 1391 CD1 TYR A 89 -9.236 5.160 -16.933 1.00 13.53 C ATOM 1392 CD2 TYR A 89 -7.851 6.700 -15.752 1.00 3.20 C ATOM 1393 CE1 TYR A 89 -8.473 5.338 -18.070 1.00 13.22 C ATOM 1394 CE2 TYR A 89 -7.082 6.885 -16.886 1.00 53.25 C ATOM 1395 CZ TYR A 89 -7.398 6.202 -18.042 1.00 11.24 C ATOM 1396 OH TYR A 89 -6.636 6.383 -19.173 1.00 61.34 O ATOM 0 H TYR A 89 -12.197 5.966 -16.533 1.00 21.12 H new ATOM 0 HA TYR A 89 -11.259 4.331 -15.359 1.00 10.23 H new ATOM 0 HB2 TYR A 89 -9.754 6.553 -13.920 1.00 20.42 H new ATOM 0 HB3 TYR A 89 -9.328 4.853 -13.903 1.00 20.42 H new ATOM 0 HD1 TYR A 89 -10.078 4.484 -16.959 1.00 13.53 H new ATOM 0 HD2 TYR A 89 -7.602 7.237 -14.848 1.00 3.20 H new ATOM 0 HE1 TYR A 89 -8.717 4.804 -18.976 1.00 13.22 H new ATOM 0 HE2 TYR A 89 -6.239 7.560 -16.867 1.00 53.25 H new ATOM 0 HH TYR A 89 -6.163 5.551 -19.386 1.00 61.34 H new ATOM 1406 N THR A 90 -13.313 5.245 -13.560 1.00 44.22 N ATOM 1407 CA THR A 90 -14.158 5.095 -12.383 1.00 33.21 C ATOM 1408 C THR A 90 -13.888 3.769 -11.679 1.00 75.34 C ATOM 1409 O THR A 90 -13.972 3.678 -10.455 1.00 14.03 O ATOM 1410 CB THR A 90 -15.651 5.174 -12.750 1.00 61.54 C ATOM 1411 OG1 THR A 90 -16.042 6.540 -12.926 1.00 2.10 O ATOM 1412 CG2 THR A 90 -16.509 4.531 -11.670 1.00 62.14 C ATOM 0 H THR A 90 -13.818 5.482 -14.414 1.00 44.22 H new ATOM 0 HA THR A 90 -13.913 5.917 -11.710 1.00 33.21 H new ATOM 0 HB THR A 90 -15.801 4.631 -13.683 1.00 61.54 H new ATOM 0 HG1 THR A 90 -15.421 6.981 -13.542 1.00 2.10 H new ATOM 0 HG21 THR A 90 -17.560 4.599 -11.952 1.00 62.14 H new ATOM 0 HG22 THR A 90 -16.230 3.483 -11.560 1.00 62.14 H new ATOM 0 HG23 THR A 90 -16.353 5.050 -10.724 1.00 62.14 H new ATOM 1420 N ALA A 91 -13.564 2.744 -12.461 1.00 53.11 N ATOM 1421 CA ALA A 91 -13.280 1.425 -11.912 1.00 32.33 C ATOM 1422 C ALA A 91 -12.252 1.507 -10.788 1.00 42.32 C ATOM 1423 O ALA A 91 -12.329 0.768 -9.806 1.00 65.13 O ATOM 1424 CB ALA A 91 -12.793 0.490 -13.009 1.00 11.42 C ATOM 0 H ALA A 91 -13.492 2.803 -13.477 1.00 53.11 H new ATOM 0 HA ALA A 91 -14.204 1.026 -11.494 1.00 32.33 H new ATOM 0 HB1 ALA A 91 -12.585 -0.492 -12.584 1.00 11.42 H new ATOM 0 HB2 ALA A 91 -13.562 0.398 -13.776 1.00 11.42 H new ATOM 0 HB3 ALA A 91 -11.883 0.893 -13.454 1.00 11.42 H new ATOM 1430 N LEU A 92 -11.290 2.410 -10.940 1.00 5.43 N ATOM 1431 CA LEU A 92 -10.243 2.590 -9.938 1.00 32.52 C ATOM 1432 C LEU A 92 -10.825 3.131 -8.636 1.00 23.24 C ATOM 1433 O LEU A 92 -10.373 2.773 -7.548 1.00 15.14 O ATOM 1434 CB LEU A 92 -9.166 3.540 -10.462 1.00 3.21 C ATOM 1435 CG LEU A 92 -9.464 5.033 -10.327 1.00 2.53 C ATOM 1436 CD1 LEU A 92 -8.975 5.555 -8.985 1.00 40.50 C ATOM 1437 CD2 LEU A 92 -8.824 5.810 -11.468 1.00 54.31 C ATOM 0 H LEU A 92 -11.212 3.029 -11.747 1.00 5.43 H new ATOM 0 HA LEU A 92 -9.794 1.617 -9.738 1.00 32.52 H new ATOM 0 HB2 LEU A 92 -8.235 3.327 -9.936 1.00 3.21 H new ATOM 0 HB3 LEU A 92 -8.995 3.318 -11.515 1.00 3.21 H new ATOM 0 HG LEU A 92 -10.544 5.175 -10.378 1.00 2.53 H new ATOM 0 HD11 LEU A 92 -9.196 6.620 -8.906 1.00 40.50 H new ATOM 0 HD12 LEU A 92 -9.479 5.020 -8.181 1.00 40.50 H new ATOM 0 HD13 LEU A 92 -7.899 5.401 -8.905 1.00 40.50 H new ATOM 0 HD21 LEU A 92 -9.047 6.871 -11.356 1.00 54.31 H new ATOM 0 HD22 LEU A 92 -7.744 5.662 -11.449 1.00 54.31 H new ATOM 0 HD23 LEU A 92 -9.222 5.455 -12.418 1.00 54.31 H new ATOM 1449 N VAL A 93 -11.830 3.991 -8.754 1.00 44.44 N ATOM 1450 CA VAL A 93 -12.475 4.579 -7.586 1.00 51.22 C ATOM 1451 C VAL A 93 -13.137 3.508 -6.728 1.00 11.44 C ATOM 1452 O VAL A 93 -12.936 3.460 -5.513 1.00 62.51 O ATOM 1453 CB VAL A 93 -13.534 5.621 -7.994 1.00 25.50 C ATOM 1454 CG1 VAL A 93 -14.431 5.963 -6.814 1.00 24.45 C ATOM 1455 CG2 VAL A 93 -12.866 6.870 -8.546 1.00 51.53 C ATOM 0 H VAL A 93 -12.216 4.297 -9.647 1.00 44.44 H new ATOM 0 HA VAL A 93 -11.694 5.073 -7.008 1.00 51.22 H new ATOM 0 HB VAL A 93 -14.157 5.192 -8.779 1.00 25.50 H new ATOM 0 HG11 VAL A 93 -15.172 6.700 -7.122 1.00 24.45 H new ATOM 0 HG12 VAL A 93 -14.938 5.062 -6.469 1.00 24.45 H new ATOM 0 HG13 VAL A 93 -13.827 6.372 -6.004 1.00 24.45 H new ATOM 0 HG21 VAL A 93 -13.629 7.595 -8.829 1.00 51.53 H new ATOM 0 HG22 VAL A 93 -12.218 7.303 -7.784 1.00 51.53 H new ATOM 0 HG23 VAL A 93 -12.271 6.608 -9.421 1.00 51.53 H new ATOM 1465 N ASP A 94 -13.926 2.650 -7.364 1.00 43.22 N ATOM 1466 CA ASP A 94 -14.617 1.577 -6.658 1.00 41.33 C ATOM 1467 C ASP A 94 -13.649 0.457 -6.290 1.00 12.50 C ATOM 1468 O ASP A 94 -13.823 -0.219 -5.277 1.00 73.25 O ATOM 1469 CB ASP A 94 -15.754 1.023 -7.518 1.00 31.21 C ATOM 1470 CG ASP A 94 -16.875 0.432 -6.685 1.00 2.34 C ATOM 1471 OD1 ASP A 94 -17.566 -0.483 -7.181 1.00 10.20 O ATOM 1472 OD2 ASP A 94 -17.060 0.883 -5.535 1.00 45.54 O ATOM 0 H ASP A 94 -14.103 2.676 -8.368 1.00 43.22 H new ATOM 0 HA ASP A 94 -15.034 1.989 -5.739 1.00 41.33 H new ATOM 0 HB2 ASP A 94 -16.153 1.820 -8.145 1.00 31.21 H new ATOM 0 HB3 ASP A 94 -15.360 0.258 -8.187 1.00 31.21 H new ATOM 1478 N ALA A 95 -12.628 0.268 -7.119 1.00 22.11 N ATOM 1479 CA ALA A 95 -11.631 -0.768 -6.880 1.00 31.44 C ATOM 1480 C ALA A 95 -10.759 -0.423 -5.678 1.00 24.23 C ATOM 1481 O ALA A 95 -10.678 -1.190 -4.718 1.00 33.01 O ATOM 1482 CB ALA A 95 -10.771 -0.969 -8.119 1.00 31.31 C ATOM 0 H ALA A 95 -12.469 0.819 -7.963 1.00 22.11 H new ATOM 0 HA ALA A 95 -12.155 -1.698 -6.661 1.00 31.44 H new ATOM 0 HB1 ALA A 95 -10.031 -1.746 -7.926 1.00 31.31 H new ATOM 0 HB2 ALA A 95 -11.402 -1.269 -8.955 1.00 31.31 H new ATOM 0 HB3 ALA A 95 -10.263 -0.036 -8.364 1.00 31.31 H new ATOM 1488 N ILE A 96 -10.107 0.732 -5.738 1.00 40.34 N ATOM 1489 CA ILE A 96 -9.240 1.177 -4.654 1.00 42.44 C ATOM 1490 C ILE A 96 -10.000 1.238 -3.333 1.00 21.44 C ATOM 1491 O ILE A 96 -9.518 0.757 -2.306 1.00 70.15 O ATOM 1492 CB ILE A 96 -8.636 2.564 -4.949 1.00 60.32 C ATOM 1493 CG1 ILE A 96 -7.732 2.498 -6.182 1.00 12.43 C ATOM 1494 CG2 ILE A 96 -7.860 3.070 -3.742 1.00 74.12 C ATOM 1495 CD1 ILE A 96 -6.499 1.645 -5.982 1.00 2.12 C ATOM 0 H ILE A 96 -10.162 1.377 -6.526 1.00 40.34 H new ATOM 0 HA ILE A 96 -8.434 0.448 -4.575 1.00 42.44 H new ATOM 0 HB ILE A 96 -9.447 3.263 -5.154 1.00 60.32 H new ATOM 0 HG12 ILE A 96 -8.304 2.104 -7.022 1.00 12.43 H new ATOM 0 HG13 ILE A 96 -7.425 3.508 -6.452 1.00 12.43 H new ATOM 0 HG21 ILE A 96 -7.439 4.050 -3.965 1.00 74.12 H new ATOM 0 HG22 ILE A 96 -8.530 3.149 -2.886 1.00 74.12 H new ATOM 0 HG23 ILE A 96 -7.054 2.374 -3.509 1.00 74.12 H new ATOM 0 HD11 ILE A 96 -5.905 1.644 -6.896 1.00 2.12 H new ATOM 0 HD12 ILE A 96 -5.905 2.051 -5.164 1.00 2.12 H new ATOM 0 HD13 ILE A 96 -6.798 0.625 -5.742 1.00 2.12 H new ATOM 1507 N TYR A 97 -11.188 1.828 -3.366 1.00 54.23 N ATOM 1508 CA TYR A 97 -12.015 1.952 -2.172 1.00 14.02 C ATOM 1509 C TYR A 97 -12.370 0.578 -1.611 1.00 73.01 C ATOM 1510 O TYR A 97 -12.547 0.415 -0.403 1.00 72.31 O ATOM 1511 CB TYR A 97 -13.292 2.732 -2.487 1.00 60.20 C ATOM 1512 CG TYR A 97 -13.153 4.225 -2.294 1.00 71.25 C ATOM 1513 CD1 TYR A 97 -12.213 4.953 -3.012 1.00 4.33 C ATOM 1514 CD2 TYR A 97 -13.963 4.907 -1.394 1.00 65.03 C ATOM 1515 CE1 TYR A 97 -12.081 6.318 -2.839 1.00 62.42 C ATOM 1516 CE2 TYR A 97 -13.839 6.272 -1.216 1.00 71.45 C ATOM 1517 CZ TYR A 97 -12.897 6.972 -1.940 1.00 71.12 C ATOM 1518 OH TYR A 97 -12.770 8.331 -1.765 1.00 14.30 O ATOM 0 H TYR A 97 -11.601 2.229 -4.208 1.00 54.23 H new ATOM 0 HA TYR A 97 -11.443 2.496 -1.420 1.00 14.02 H new ATOM 0 HB2 TYR A 97 -13.584 2.533 -3.518 1.00 60.20 H new ATOM 0 HB3 TYR A 97 -14.098 2.365 -1.851 1.00 60.20 H new ATOM 0 HD1 TYR A 97 -11.574 4.444 -3.718 1.00 4.33 H new ATOM 0 HD2 TYR A 97 -14.701 4.362 -0.825 1.00 65.03 H new ATOM 0 HE1 TYR A 97 -11.344 6.869 -3.404 1.00 62.42 H new ATOM 0 HE2 TYR A 97 -14.477 6.788 -0.513 1.00 71.45 H new ATOM 0 HH TYR A 97 -13.419 8.637 -1.098 1.00 14.30 H new ATOM 1528 N SER A 98 -12.472 -0.407 -2.497 1.00 5.32 N ATOM 1529 CA SER A 98 -12.808 -1.768 -2.093 1.00 13.32 C ATOM 1530 C SER A 98 -11.604 -2.461 -1.464 1.00 22.34 C ATOM 1531 O SER A 98 -11.673 -2.953 -0.338 1.00 73.22 O ATOM 1532 CB SER A 98 -13.304 -2.572 -3.296 1.00 4.01 C ATOM 1533 OG SER A 98 -13.206 -3.964 -3.054 1.00 31.20 O ATOM 0 H SER A 98 -12.327 -0.289 -3.500 1.00 5.32 H new ATOM 0 HA SER A 98 -13.603 -1.714 -1.349 1.00 13.32 H new ATOM 0 HB2 SER A 98 -14.340 -2.309 -3.511 1.00 4.01 H new ATOM 0 HB3 SER A 98 -12.719 -2.311 -4.178 1.00 4.01 H new ATOM 0 HG SER A 98 -13.531 -4.456 -3.837 1.00 31.20 H new ATOM 1539 N VAL A 99 -10.498 -2.497 -2.202 1.00 11.53 N ATOM 1540 CA VAL A 99 -9.276 -3.129 -1.717 1.00 72.54 C ATOM 1541 C VAL A 99 -8.749 -2.425 -0.473 1.00 15.04 C ATOM 1542 O VAL A 99 -8.477 -3.062 0.544 1.00 74.10 O ATOM 1543 CB VAL A 99 -8.179 -3.130 -2.798 1.00 42.51 C ATOM 1544 CG1 VAL A 99 -7.003 -3.993 -2.365 1.00 52.43 C ATOM 1545 CG2 VAL A 99 -8.741 -3.608 -4.127 1.00 61.43 C ATOM 0 H VAL A 99 -10.423 -2.096 -3.137 1.00 11.53 H new ATOM 0 HA VAL A 99 -9.530 -4.159 -1.466 1.00 72.54 H new ATOM 0 HB VAL A 99 -7.821 -2.109 -2.928 1.00 42.51 H new ATOM 0 HG11 VAL A 99 -6.238 -3.982 -3.141 1.00 52.43 H new ATOM 0 HG12 VAL A 99 -6.585 -3.600 -1.438 1.00 52.43 H new ATOM 0 HG13 VAL A 99 -7.342 -5.016 -2.205 1.00 52.43 H new ATOM 0 HG21 VAL A 99 -7.952 -3.602 -4.879 1.00 61.43 H new ATOM 0 HG22 VAL A 99 -9.128 -4.621 -4.015 1.00 61.43 H new ATOM 0 HG23 VAL A 99 -9.546 -2.944 -4.441 1.00 61.43 H new ATOM 1555 N GLU A 100 -8.608 -1.106 -0.560 1.00 65.23 N ATOM 1556 CA GLU A 100 -8.111 -0.315 0.560 1.00 73.20 C ATOM 1557 C GLU A 100 -8.887 -0.633 1.835 1.00 24.44 C ATOM 1558 O GLU A 100 -8.342 -0.567 2.937 1.00 34.14 O ATOM 1559 CB GLU A 100 -8.218 1.179 0.245 1.00 65.42 C ATOM 1560 CG GLU A 100 -9.621 1.737 0.409 1.00 71.12 C ATOM 1561 CD GLU A 100 -9.907 2.193 1.827 1.00 25.23 C ATOM 1562 OE1 GLU A 100 -9.011 2.809 2.442 1.00 12.11 O ATOM 1563 OE2 GLU A 100 -11.023 1.932 2.320 1.00 3.35 O ATOM 0 H GLU A 100 -8.831 -0.563 -1.394 1.00 65.23 H new ATOM 0 HA GLU A 100 -7.063 -0.572 0.718 1.00 73.20 H new ATOM 0 HB2 GLU A 100 -7.539 1.729 0.897 1.00 65.42 H new ATOM 0 HB3 GLU A 100 -7.885 1.350 -0.779 1.00 65.42 H new ATOM 0 HG2 GLU A 100 -9.756 2.577 -0.273 1.00 71.12 H new ATOM 0 HG3 GLU A 100 -10.346 0.975 0.123 1.00 71.12 H new