USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=25 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 106 THR OG1 : rot 180:sc= 0.139 USER MOD Set 1.2: A 109 SER OG : rot -100:sc= 0.458 USER MOD Set 2.1: A 104 HIS : no HE2:sc= 0.309 K(o=0.31,f=-4.8!) USER MOD Set 2.2: A 113 THR OG1 : rot 130:sc= 0 USER MOD Set 3.1: A 54 SER OG : rot -82:sc= -0.365 USER MOD Set 3.2: A 67 ASN : amide:sc= 2.02 K(o=1.7,f=-4.9!) USER MOD Single : A 33 MET CE :methyl 148:sc= -0.414 (180deg=-1.04) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= 1.17 K(o=1.2,f=-0.21) USER MOD Single : A 50 ASN : amide:sc= -0.356! X(o=-0.36!,f=-0.23) USER MOD Single : A 51 MET CE :methyl -131:sc= 0 (180deg=-1.06) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -31:sc= 0.0555 USER MOD Single : A 59 CYS SG : rot 55:sc= 0.306 USER MOD Single : A 65 TYR OH : rot 21:sc= 1.28 USER MOD Single : A 70 THR OG1 : rot -75:sc= 0.139 USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= 1.58 (180deg=1.52) USER MOD Single : A 74 ASN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 155:sc= -0.998 USER MOD Single : A 81 THR OG1 : rot -7:sc= 0.697 USER MOD Single : A 86 LYS NZ :NH3+ -166:sc= 1.16 (180deg=0.941) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 98 HIS : no HE2:sc= -0.067! C(o=-0.067!,f=-5.3!) USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 101 THR OG1 : rot -110:sc= 0.623 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 49:sc= 1.29 USER MOD Single : A 115 SER OG : rot -120:sc= -2.38! USER MOD Single : A 118 TYR OH : rot 19:sc= -0.106 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 11.801 4.955 -4.679 1.00 0.00 N ATOM 439 CA ASP A 32 11.186 4.808 -3.367 1.00 0.00 C ATOM 440 C ASP A 32 9.760 4.303 -3.499 1.00 0.00 C ATOM 441 O ASP A 32 9.023 4.719 -4.393 1.00 0.00 O ATOM 442 CB ASP A 32 11.194 6.137 -2.610 1.00 0.00 C ATOM 443 CG ASP A 32 10.438 6.055 -1.297 1.00 0.00 C ATOM 444 OD1 ASP A 32 10.615 5.070 -0.546 1.00 0.00 O ATOM 445 OD2 ASP A 32 9.635 6.962 -1.028 1.00 0.00 O ATOM 0 HA ASP A 32 11.770 4.080 -2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.224 6.436 -2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.750 6.912 -3.235 1.00 0.00 H new ATOM 450 N MET A 33 9.373 3.414 -2.600 1.00 0.00 N ATOM 451 CA MET A 33 8.044 2.832 -2.635 1.00 0.00 C ATOM 452 C MET A 33 7.016 3.812 -2.081 1.00 0.00 C ATOM 453 O MET A 33 5.869 3.831 -2.519 1.00 0.00 O ATOM 454 CB MET A 33 8.009 1.528 -1.844 1.00 0.00 C ATOM 455 CG MET A 33 6.823 0.646 -2.192 1.00 0.00 C ATOM 456 SD MET A 33 6.799 0.186 -3.933 1.00 0.00 S ATOM 457 CE MET A 33 8.425 -0.542 -4.099 1.00 0.00 C ATOM 0 H MET A 33 9.961 3.080 -1.837 1.00 0.00 H new ATOM 0 HA MET A 33 7.794 2.615 -3.673 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.930 0.975 -2.027 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.982 1.758 -0.779 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.852 -0.256 -1.581 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.899 1.169 -1.944 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.393 -1.338 -4.843 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.135 0.222 -4.415 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.739 -0.954 -3.140 1.00 0.00 H new ATOM 467 N ARG A 34 7.436 4.646 -1.130 1.00 0.00 N ATOM 468 CA ARG A 34 6.538 5.646 -0.557 1.00 0.00 C ATOM 469 C ARG A 34 6.261 6.725 -1.596 1.00 0.00 C ATOM 470 O ARG A 34 5.178 7.302 -1.644 1.00 0.00 O ATOM 471 CB ARG A 34 7.135 6.278 0.703 1.00 0.00 C ATOM 472 CG ARG A 34 6.129 7.091 1.501 1.00 0.00 C ATOM 473 CD ARG A 34 6.783 7.833 2.658 1.00 0.00 C ATOM 474 NE ARG A 34 5.788 8.312 3.622 1.00 0.00 N ATOM 475 CZ ARG A 34 5.301 9.554 3.648 1.00 0.00 C ATOM 476 NH1 ARG A 34 5.754 10.471 2.800 1.00 0.00 N ATOM 477 NH2 ARG A 34 4.378 9.888 4.545 1.00 0.00 N ATOM 0 H ARG A 34 8.380 4.649 -0.745 1.00 0.00 H new ATOM 0 HA ARG A 34 5.608 5.153 -0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.542 5.491 1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.968 6.921 0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.638 7.807 0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.353 6.430 1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.490 7.173 3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.354 8.678 2.273 1.00 0.00 H new ATOM 0 HE ARG A 34 5.445 7.652 4.320 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.478 10.227 2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.378 11.419 2.825 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.042 9.195 5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.006 10.838 4.565 1.00 0.00 H new ATOM 491 N LEU A 35 7.266 6.985 -2.418 1.00 0.00 N ATOM 492 CA LEU A 35 7.136 7.884 -3.554 1.00 0.00 C ATOM 493 C LEU A 35 5.997 7.440 -4.467 1.00 0.00 C ATOM 494 O LEU A 35 5.058 8.198 -4.728 1.00 0.00 O ATOM 495 CB LEU A 35 8.442 7.904 -4.344 1.00 0.00 C ATOM 496 CG LEU A 35 8.403 8.729 -5.624 1.00 0.00 C ATOM 497 CD1 LEU A 35 8.447 10.212 -5.297 1.00 0.00 C ATOM 498 CD2 LEU A 35 9.550 8.341 -6.547 1.00 0.00 C ATOM 0 H LEU A 35 8.196 6.578 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 35 6.915 8.884 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.232 8.293 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.712 6.879 -4.597 1.00 0.00 H new ATOM 0 HG LEU A 35 7.468 8.521 -6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.419 10.789 -6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.588 10.474 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.366 10.438 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.505 8.941 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.499 8.518 -6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.468 7.285 -6.805 1.00 0.00 H new ATOM 510 N GLU A 36 6.093 6.202 -4.946 1.00 0.00 N ATOM 511 CA GLU A 36 5.059 5.617 -5.790 1.00 0.00 C ATOM 512 C GLU A 36 3.728 5.612 -5.052 1.00 0.00 C ATOM 513 O GLU A 36 2.670 5.833 -5.640 1.00 0.00 O ATOM 514 CB GLU A 36 5.439 4.183 -6.172 1.00 0.00 C ATOM 515 CG GLU A 36 6.765 4.067 -6.909 1.00 0.00 C ATOM 516 CD GLU A 36 6.723 4.673 -8.296 1.00 0.00 C ATOM 517 OE1 GLU A 36 6.286 3.975 -9.238 1.00 0.00 O ATOM 518 OE2 GLU A 36 7.140 5.836 -8.460 1.00 0.00 O ATOM 0 H GLU A 36 6.882 5.583 -4.761 1.00 0.00 H new ATOM 0 HA GLU A 36 4.967 6.215 -6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.484 3.577 -5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.650 3.764 -6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.543 4.560 -6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.042 3.015 -6.986 1.00 0.00 H new ATOM 525 N ALA A 37 3.810 5.398 -3.747 1.00 0.00 N ATOM 526 CA ALA A 37 2.634 5.302 -2.893 1.00 0.00 C ATOM 527 C ALA A 37 1.862 6.611 -2.871 1.00 0.00 C ATOM 528 O ALA A 37 0.668 6.639 -3.152 1.00 0.00 O ATOM 529 CB ALA A 37 3.042 4.915 -1.480 1.00 0.00 C ATOM 0 H ALA A 37 4.693 5.286 -3.250 1.00 0.00 H new ATOM 0 HA ALA A 37 1.983 4.530 -3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.154 4.846 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.549 3.950 -1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.716 5.671 -1.076 1.00 0.00 H new ATOM 535 N GLU A 38 2.565 7.693 -2.552 1.00 0.00 N ATOM 536 CA GLU A 38 1.952 9.009 -2.440 1.00 0.00 C ATOM 537 C GLU A 38 1.270 9.394 -3.750 1.00 0.00 C ATOM 538 O GLU A 38 0.197 10.006 -3.755 1.00 0.00 O ATOM 539 CB GLU A 38 3.015 10.042 -2.072 1.00 0.00 C ATOM 540 CG GLU A 38 2.444 11.336 -1.520 1.00 0.00 C ATOM 541 CD GLU A 38 1.716 11.138 -0.205 1.00 0.00 C ATOM 542 OE1 GLU A 38 2.371 10.780 0.795 1.00 0.00 O ATOM 543 OE2 GLU A 38 0.490 11.371 -0.156 1.00 0.00 O ATOM 0 H GLU A 38 3.568 7.682 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 38 1.195 8.981 -1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.690 9.609 -1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.612 10.267 -2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.252 12.054 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.758 11.766 -2.250 1.00 0.00 H new ATOM 550 N ALA A 39 1.895 9.014 -4.860 1.00 0.00 N ATOM 551 CA ALA A 39 1.325 9.250 -6.178 1.00 0.00 C ATOM 552 C ALA A 39 0.024 8.469 -6.353 1.00 0.00 C ATOM 553 O ALA A 39 -1.001 9.028 -6.738 1.00 0.00 O ATOM 554 CB ALA A 39 2.324 8.868 -7.258 1.00 0.00 C ATOM 0 H ALA A 39 2.798 8.540 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 39 1.098 10.312 -6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.886 9.049 -8.239 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.227 9.469 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.577 7.812 -7.163 1.00 0.00 H new ATOM 560 N VAL A 40 0.077 7.179 -6.041 1.00 0.00 N ATOM 561 CA VAL A 40 -1.086 6.300 -6.160 1.00 0.00 C ATOM 562 C VAL A 40 -2.243 6.775 -5.279 1.00 0.00 C ATOM 563 O VAL A 40 -3.389 6.834 -5.729 1.00 0.00 O ATOM 564 CB VAL A 40 -0.722 4.843 -5.789 1.00 0.00 C ATOM 565 CG1 VAL A 40 -1.967 3.975 -5.694 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.249 4.262 -6.806 1.00 0.00 C ATOM 0 H VAL A 40 0.919 6.714 -5.701 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.404 6.335 -7.202 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.241 4.856 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.681 2.956 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.631 4.374 -4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.482 3.972 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.495 3.237 -6.530 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.210 4.272 -7.794 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.159 4.861 -6.823 1.00 0.00 H new ATOM 576 N VAL A 41 -1.934 7.132 -4.035 1.00 0.00 N ATOM 577 CA VAL A 41 -2.944 7.575 -3.075 1.00 0.00 C ATOM 578 C VAL A 41 -3.694 8.802 -3.587 1.00 0.00 C ATOM 579 O VAL A 41 -4.885 8.967 -3.327 1.00 0.00 O ATOM 580 CB VAL A 41 -2.310 7.893 -1.700 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.348 8.419 -0.722 1.00 0.00 C ATOM 582 CG2 VAL A 41 -1.634 6.661 -1.126 1.00 0.00 C ATOM 0 H VAL A 41 -0.984 7.123 -3.665 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.652 6.755 -2.955 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.561 8.670 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.871 8.633 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.792 9.332 -1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.127 7.669 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.194 6.905 -0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.370 5.867 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.851 6.325 -1.806 1.00 0.00 H new ATOM 592 N ASN A 42 -2.998 9.652 -4.327 1.00 0.00 N ATOM 593 CA ASN A 42 -3.606 10.868 -4.852 1.00 0.00 C ATOM 594 C ASN A 42 -4.324 10.587 -6.170 1.00 0.00 C ATOM 595 O ASN A 42 -5.257 11.296 -6.548 1.00 0.00 O ATOM 596 CB ASN A 42 -2.535 11.944 -5.058 1.00 0.00 C ATOM 597 CG ASN A 42 -3.123 13.329 -5.252 1.00 0.00 C ATOM 598 OD1 ASN A 42 -3.407 13.753 -6.374 1.00 0.00 O ATOM 599 ND2 ASN A 42 -3.298 14.053 -4.156 1.00 0.00 N ATOM 0 H ASN A 42 -2.017 9.525 -4.577 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.339 11.227 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.867 11.955 -4.197 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.930 11.686 -5.927 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.680 14.996 -4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.051 13.667 -3.245 1.00 0.00 H new ATOM 606 N ASP A 43 -3.893 9.534 -6.852 1.00 0.00 N ATOM 607 CA ASP A 43 -4.429 9.185 -8.166 1.00 0.00 C ATOM 608 C ASP A 43 -5.768 8.463 -8.050 1.00 0.00 C ATOM 609 O ASP A 43 -6.784 8.931 -8.568 1.00 0.00 O ATOM 610 CB ASP A 43 -3.430 8.305 -8.928 1.00 0.00 C ATOM 611 CG ASP A 43 -3.916 7.919 -10.313 1.00 0.00 C ATOM 612 OD1 ASP A 43 -3.859 8.771 -11.225 1.00 0.00 O ATOM 613 OD2 ASP A 43 -4.329 6.756 -10.505 1.00 0.00 O ATOM 0 H ASP A 43 -3.168 8.901 -6.515 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.590 10.113 -8.715 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.481 8.835 -9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.237 7.400 -8.351 1.00 0.00 H new ATOM 618 N VAL A 44 -5.778 7.343 -7.339 1.00 0.00 N ATOM 619 CA VAL A 44 -6.968 6.500 -7.271 1.00 0.00 C ATOM 620 C VAL A 44 -7.924 6.966 -6.178 1.00 0.00 C ATOM 621 O VAL A 44 -8.960 6.344 -5.942 1.00 0.00 O ATOM 622 CB VAL A 44 -6.608 5.016 -7.041 1.00 0.00 C ATOM 623 CG1 VAL A 44 -5.769 4.482 -8.192 1.00 0.00 C ATOM 624 CG2 VAL A 44 -5.885 4.828 -5.719 1.00 0.00 C ATOM 0 H VAL A 44 -4.982 6.997 -6.804 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.465 6.592 -8.237 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.537 4.448 -7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.526 3.435 -8.010 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.331 4.568 -9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.848 5.060 -8.270 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.644 3.774 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.966 5.413 -5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.526 5.162 -4.903 1.00 0.00 H new ATOM 634 N LEU A 45 -7.582 8.079 -5.535 1.00 0.00 N ATOM 635 CA LEU A 45 -8.421 8.656 -4.486 1.00 0.00 C ATOM 636 C LEU A 45 -9.827 8.943 -5.005 1.00 0.00 C ATOM 637 O LEU A 45 -10.813 8.748 -4.300 1.00 0.00 O ATOM 638 CB LEU A 45 -7.799 9.953 -3.963 1.00 0.00 C ATOM 639 CG LEU A 45 -8.569 10.641 -2.831 1.00 0.00 C ATOM 640 CD1 LEU A 45 -8.558 9.779 -1.577 1.00 0.00 C ATOM 641 CD2 LEU A 45 -7.985 12.018 -2.542 1.00 0.00 C ATOM 0 H LEU A 45 -6.726 8.602 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.488 7.930 -3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.789 9.737 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.706 10.652 -4.794 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.603 10.770 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.110 10.284 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.028 8.819 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.529 9.616 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.546 12.489 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.941 11.916 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.049 12.636 -3.438 1.00 0.00 H new ATOM 653 N PHE A 46 -9.909 9.393 -6.250 1.00 0.00 N ATOM 654 CA PHE A 46 -11.189 9.744 -6.852 1.00 0.00 C ATOM 655 C PHE A 46 -12.035 8.491 -7.093 1.00 0.00 C ATOM 656 O PHE A 46 -13.264 8.553 -7.140 1.00 0.00 O ATOM 657 CB PHE A 46 -10.957 10.498 -8.169 1.00 0.00 C ATOM 658 CG PHE A 46 -12.206 11.094 -8.759 1.00 0.00 C ATOM 659 CD1 PHE A 46 -12.768 12.235 -8.209 1.00 0.00 C ATOM 660 CD2 PHE A 46 -12.819 10.513 -9.859 1.00 0.00 C ATOM 661 CE1 PHE A 46 -13.916 12.787 -8.746 1.00 0.00 C ATOM 662 CE2 PHE A 46 -13.967 11.060 -10.400 1.00 0.00 C ATOM 663 CZ PHE A 46 -14.516 12.197 -9.842 1.00 0.00 C ATOM 0 H PHE A 46 -9.104 9.524 -6.863 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.733 10.392 -6.165 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.232 11.294 -7.998 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.515 9.815 -8.894 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.304 12.698 -7.351 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -12.394 9.622 -10.298 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.343 13.678 -8.310 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -14.434 10.599 -11.258 1.00 0.00 H new ATOM 0 HZ PHE A 46 -15.414 12.625 -10.262 1.00 0.00 H new ATOM 673 N ALA A 47 -11.370 7.349 -7.223 1.00 0.00 N ATOM 674 CA ALA A 47 -12.050 6.095 -7.518 1.00 0.00 C ATOM 675 C ALA A 47 -12.463 5.373 -6.239 1.00 0.00 C ATOM 676 O ALA A 47 -13.198 4.386 -6.276 1.00 0.00 O ATOM 677 CB ALA A 47 -11.166 5.208 -8.375 1.00 0.00 C ATOM 0 H ALA A 47 -10.358 7.266 -7.128 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.959 6.325 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.686 4.274 -8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.937 5.718 -9.311 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.239 4.994 -7.842 1.00 0.00 H new ATOM 683 N VAL A 48 -11.989 5.873 -5.109 1.00 0.00 N ATOM 684 CA VAL A 48 -12.378 5.341 -3.811 1.00 0.00 C ATOM 685 C VAL A 48 -13.103 6.415 -3.007 1.00 0.00 C ATOM 686 O VAL A 48 -13.527 7.429 -3.566 1.00 0.00 O ATOM 687 CB VAL A 48 -11.170 4.803 -3.007 1.00 0.00 C ATOM 688 CG1 VAL A 48 -10.485 3.677 -3.760 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.175 5.907 -2.682 1.00 0.00 C ATOM 0 H VAL A 48 -11.331 6.651 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.046 4.499 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.552 4.413 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.638 3.312 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.192 2.863 -3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.132 4.046 -4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.341 5.490 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.803 6.346 -3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.667 6.677 -2.088 1.00 0.00 H new ATOM 699 N ASN A 49 -13.291 6.174 -1.718 1.00 0.00 N ATOM 700 CA ASN A 49 -13.937 7.151 -0.854 1.00 0.00 C ATOM 701 C ASN A 49 -12.883 7.909 -0.051 1.00 0.00 C ATOM 702 O ASN A 49 -12.886 9.137 -0.010 1.00 0.00 O ATOM 703 CB ASN A 49 -14.943 6.458 0.075 1.00 0.00 C ATOM 704 CG ASN A 49 -15.798 7.440 0.857 1.00 0.00 C ATOM 705 OD1 ASN A 49 -16.802 7.949 0.354 1.00 0.00 O ATOM 706 ND2 ASN A 49 -15.441 7.678 2.109 1.00 0.00 N ATOM 0 H ASN A 49 -13.007 5.314 -1.249 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.484 7.866 -1.468 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.591 5.811 -0.517 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.404 5.817 0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.003 8.300 2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.604 7.240 2.493 1.00 0.00 H new ATOM 713 N ASN A 50 -11.974 7.164 0.566 1.00 0.00 N ATOM 714 CA ASN A 50 -10.863 7.736 1.335 1.00 0.00 C ATOM 715 C ASN A 50 -9.595 6.940 1.057 1.00 0.00 C ATOM 716 O ASN A 50 -9.671 5.805 0.592 1.00 0.00 O ATOM 717 CB ASN A 50 -11.158 7.694 2.839 1.00 0.00 C ATOM 718 CG ASN A 50 -11.810 8.957 3.390 1.00 0.00 C ATOM 719 OD1 ASN A 50 -11.669 9.263 4.574 1.00 0.00 O ATOM 720 ND2 ASN A 50 -12.515 9.701 2.552 1.00 0.00 N ATOM 0 H ASN A 50 -11.982 6.144 0.550 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.734 8.775 1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.809 6.844 3.045 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.225 7.518 3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.961 10.557 2.882 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.612 9.418 1.577 1.00 0.00 H new ATOM 727 N MET A 51 -8.433 7.514 1.341 1.00 0.00 N ATOM 728 CA MET A 51 -7.173 6.800 1.163 1.00 0.00 C ATOM 729 C MET A 51 -6.032 7.589 1.785 1.00 0.00 C ATOM 730 O MET A 51 -5.886 8.782 1.529 1.00 0.00 O ATOM 731 CB MET A 51 -6.884 6.565 -0.326 1.00 0.00 C ATOM 732 CG MET A 51 -5.945 5.398 -0.584 1.00 0.00 C ATOM 733 SD MET A 51 -5.433 5.275 -2.306 1.00 0.00 S ATOM 734 CE MET A 51 -4.459 3.772 -2.252 1.00 0.00 C ATOM 0 H MET A 51 -8.336 8.466 1.694 1.00 0.00 H new ATOM 0 HA MET A 51 -7.258 5.833 1.659 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.825 6.386 -0.847 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.451 7.470 -0.751 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.061 5.504 0.045 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.437 4.471 -0.290 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.500 3.942 -2.742 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.291 3.485 -1.214 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.993 2.974 -2.767 1.00 0.00 H new ATOM 744 N PHE A 52 -5.230 6.925 2.604 1.00 0.00 N ATOM 745 CA PHE A 52 -4.112 7.578 3.272 1.00 0.00 C ATOM 746 C PHE A 52 -3.090 6.537 3.720 1.00 0.00 C ATOM 747 O PHE A 52 -3.460 5.434 4.111 1.00 0.00 O ATOM 748 CB PHE A 52 -4.623 8.380 4.476 1.00 0.00 C ATOM 749 CG PHE A 52 -3.573 9.209 5.155 1.00 0.00 C ATOM 750 CD1 PHE A 52 -2.992 10.283 4.505 1.00 0.00 C ATOM 751 CD2 PHE A 52 -3.170 8.914 6.448 1.00 0.00 C ATOM 752 CE1 PHE A 52 -2.028 11.048 5.128 1.00 0.00 C ATOM 753 CE2 PHE A 52 -2.206 9.674 7.077 1.00 0.00 C ATOM 754 CZ PHE A 52 -1.632 10.744 6.415 1.00 0.00 C ATOM 0 H PHE A 52 -5.332 5.934 2.823 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.627 8.262 2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.429 9.035 4.146 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.051 7.689 5.203 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.297 10.525 3.498 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.616 8.080 6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.583 11.884 4.609 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.900 9.434 8.085 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.876 11.340 6.904 1.00 0.00 H new ATOM 764 N VAL A 53 -1.808 6.881 3.650 1.00 0.00 N ATOM 765 CA VAL A 53 -0.746 5.951 4.034 1.00 0.00 C ATOM 766 C VAL A 53 -0.740 5.707 5.545 1.00 0.00 C ATOM 767 O VAL A 53 -1.259 6.511 6.321 1.00 0.00 O ATOM 768 CB VAL A 53 0.644 6.452 3.578 1.00 0.00 C ATOM 769 CG1 VAL A 53 0.720 6.503 2.059 1.00 0.00 C ATOM 770 CG2 VAL A 53 0.957 7.815 4.176 1.00 0.00 C ATOM 0 H VAL A 53 -1.478 7.792 3.333 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.954 5.008 3.528 1.00 0.00 H new ATOM 0 HB VAL A 53 1.393 5.747 3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.705 6.858 1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.553 5.506 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.043 7.182 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.940 8.143 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.204 8.535 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.951 7.745 5.264 1.00 0.00 H new ATOM 780 N SER A 54 -0.161 4.589 5.953 1.00 0.00 N ATOM 781 CA SER A 54 -0.149 4.203 7.352 1.00 0.00 C ATOM 782 C SER A 54 0.929 4.960 8.130 1.00 0.00 C ATOM 783 O SER A 54 1.839 5.555 7.544 1.00 0.00 O ATOM 784 CB SER A 54 0.080 2.699 7.455 1.00 0.00 C ATOM 785 OG SER A 54 -0.762 1.995 6.554 1.00 0.00 O ATOM 0 H SER A 54 0.308 3.931 5.331 1.00 0.00 H new ATOM 0 HA SER A 54 -1.112 4.460 7.793 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.123 2.470 7.238 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.114 2.367 8.475 1.00 0.00 H new ATOM 0 HG SER A 54 -1.652 1.892 6.951 1.00 0.00 H new ATOM 791 N LYS A 55 0.818 4.936 9.453 1.00 0.00 N ATOM 792 CA LYS A 55 1.766 5.639 10.314 1.00 0.00 C ATOM 793 C LYS A 55 2.328 4.718 11.394 1.00 0.00 C ATOM 794 O LYS A 55 3.365 5.006 11.989 1.00 0.00 O ATOM 795 CB LYS A 55 1.108 6.861 10.959 1.00 0.00 C ATOM 796 CG LYS A 55 0.757 7.961 9.970 1.00 0.00 C ATOM 797 CD LYS A 55 0.223 9.191 10.682 1.00 0.00 C ATOM 798 CE LYS A 55 -0.034 10.323 9.707 1.00 0.00 C ATOM 799 NZ LYS A 55 -0.528 11.541 10.395 1.00 0.00 N ATOM 0 H LYS A 55 0.082 4.438 9.954 1.00 0.00 H new ATOM 0 HA LYS A 55 2.593 5.972 9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.201 6.545 11.474 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.779 7.266 11.716 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.641 8.228 9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.012 7.594 9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.701 8.940 11.203 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.938 9.515 11.439 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.886 10.556 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.765 10.004 8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.692 12.293 9.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.419 11.325 10.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.180 11.860 11.086 1.00 0.00 H new ATOM 813 N SER A 56 1.652 3.601 11.634 1.00 0.00 N ATOM 814 CA SER A 56 2.106 2.635 12.618 1.00 0.00 C ATOM 815 C SER A 56 2.912 1.570 11.894 1.00 0.00 C ATOM 816 O SER A 56 3.517 0.683 12.496 1.00 0.00 O ATOM 817 CB SER A 56 0.902 2.020 13.342 1.00 0.00 C ATOM 818 OG SER A 56 1.302 1.196 14.423 1.00 0.00 O ATOM 0 H SER A 56 0.787 3.345 11.158 1.00 0.00 H new ATOM 0 HA SER A 56 2.731 3.116 13.370 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.255 2.816 13.712 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.314 1.433 12.636 1.00 0.00 H new ATOM 0 HG SER A 56 2.172 0.792 14.222 1.00 0.00 H new ATOM 824 N LEU A 57 2.910 1.699 10.582 1.00 0.00 N ATOM 825 CA LEU A 57 3.601 0.795 9.701 1.00 0.00 C ATOM 826 C LEU A 57 4.850 1.479 9.155 1.00 0.00 C ATOM 827 O LEU A 57 5.496 2.242 9.873 1.00 0.00 O ATOM 828 CB LEU A 57 2.639 0.381 8.592 1.00 0.00 C ATOM 829 CG LEU A 57 1.522 -0.546 9.068 1.00 0.00 C ATOM 830 CD1 LEU A 57 0.396 -0.652 8.053 1.00 0.00 C ATOM 831 CD2 LEU A 57 2.103 -1.910 9.334 1.00 0.00 C ATOM 0 H LEU A 57 2.418 2.449 10.096 1.00 0.00 H new ATOM 0 HA LEU A 57 3.926 -0.102 10.228 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.196 1.275 8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.201 -0.116 7.802 1.00 0.00 H new ATOM 0 HG LEU A 57 1.095 -0.128 9.980 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.375 -1.321 8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.033 0.335 7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.787 -1.046 7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.315 -2.581 9.675 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.543 -2.303 8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.872 -1.834 10.103 1.00 0.00 H new ATOM 843 N ARG A 58 5.204 1.213 7.908 1.00 0.00 N ATOM 844 CA ARG A 58 6.394 1.820 7.333 1.00 0.00 C ATOM 845 C ARG A 58 6.278 1.939 5.818 1.00 0.00 C ATOM 846 O ARG A 58 5.484 1.244 5.179 1.00 0.00 O ATOM 847 CB ARG A 58 7.644 1.019 7.713 1.00 0.00 C ATOM 848 CG ARG A 58 7.796 -0.295 6.967 1.00 0.00 C ATOM 849 CD ARG A 58 8.961 -1.100 7.511 1.00 0.00 C ATOM 850 NE ARG A 58 9.430 -2.098 6.554 1.00 0.00 N ATOM 851 CZ ARG A 58 9.092 -3.386 6.579 1.00 0.00 C ATOM 852 NH1 ARG A 58 8.243 -3.845 7.492 1.00 0.00 N ATOM 853 NH2 ARG A 58 9.598 -4.216 5.681 1.00 0.00 N ATOM 0 H ARG A 58 4.693 0.590 7.282 1.00 0.00 H new ATOM 0 HA ARG A 58 6.486 2.826 7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.525 1.633 7.527 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.619 0.815 8.783 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.877 -0.875 7.054 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.950 -0.099 5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.780 -0.427 7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.660 -1.596 8.434 1.00 0.00 H new ATOM 0 HE ARG A 58 10.060 -1.787 5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.844 -3.209 8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.991 -4.833 7.503 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.245 -3.869 4.973 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.341 -5.203 5.697 1.00 0.00 H new ATOM 867 N CYS A 59 7.062 2.841 5.259 1.00 0.00 N ATOM 868 CA CYS A 59 7.093 3.065 3.825 1.00 0.00 C ATOM 869 C CYS A 59 8.435 3.639 3.415 1.00 0.00 C ATOM 870 O CYS A 59 8.614 4.857 3.328 1.00 0.00 O ATOM 871 CB CYS A 59 5.947 3.986 3.410 1.00 0.00 C ATOM 872 SG CYS A 59 5.607 5.303 4.603 1.00 0.00 S ATOM 0 H CYS A 59 7.697 3.440 5.787 1.00 0.00 H new ATOM 0 HA CYS A 59 6.962 2.112 3.312 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.183 4.434 2.445 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.045 3.390 3.273 1.00 0.00 H new ATOM 0 HG CYS A 59 6.697 5.973 4.832 1.00 0.00 H new ATOM 878 N ALA A 60 9.385 2.750 3.190 1.00 0.00 N ATOM 879 CA ALA A 60 10.735 3.155 2.870 1.00 0.00 C ATOM 880 C ALA A 60 11.370 2.228 1.849 1.00 0.00 C ATOM 881 O ALA A 60 11.753 1.102 2.174 1.00 0.00 O ATOM 882 CB ALA A 60 11.582 3.202 4.130 1.00 0.00 C ATOM 0 H ALA A 60 9.243 1.741 3.224 1.00 0.00 H new ATOM 0 HA ALA A 60 10.687 4.152 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.597 3.508 3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.152 3.918 4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.606 2.214 4.589 1.00 0.00 H new ATOM 888 N ASP A 61 11.413 2.698 0.610 1.00 0.00 N ATOM 889 CA ASP A 61 12.200 2.075 -0.465 1.00 0.00 C ATOM 890 C ASP A 61 11.539 0.822 -1.024 1.00 0.00 C ATOM 891 O ASP A 61 11.112 0.800 -2.179 1.00 0.00 O ATOM 892 CB ASP A 61 13.624 1.730 0.003 1.00 0.00 C ATOM 893 CG ASP A 61 14.439 2.948 0.387 1.00 0.00 C ATOM 894 OD1 ASP A 61 14.837 3.710 -0.517 1.00 0.00 O ATOM 895 OD2 ASP A 61 14.700 3.146 1.598 1.00 0.00 O ATOM 0 H ASP A 61 10.901 3.529 0.312 1.00 0.00 H new ATOM 0 HA ASP A 61 12.252 2.818 -1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.565 1.056 0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.140 1.192 -0.792 1.00 0.00 H new ATOM 900 N ASP A 62 11.452 -0.215 -0.203 1.00 0.00 N ATOM 901 CA ASP A 62 11.001 -1.525 -0.664 1.00 0.00 C ATOM 902 C ASP A 62 9.510 -1.732 -0.428 1.00 0.00 C ATOM 903 O ASP A 62 8.856 -2.467 -1.166 1.00 0.00 O ATOM 904 CB ASP A 62 11.790 -2.636 0.041 1.00 0.00 C ATOM 905 CG ASP A 62 11.512 -2.703 1.531 1.00 0.00 C ATOM 906 OD1 ASP A 62 12.105 -1.906 2.288 1.00 0.00 O ATOM 907 OD2 ASP A 62 10.716 -3.563 1.954 1.00 0.00 O ATOM 0 H ASP A 62 11.688 -0.177 0.789 1.00 0.00 H new ATOM 0 HA ASP A 62 11.180 -1.568 -1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.542 -3.595 -0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.856 -2.474 -0.118 1.00 0.00 H new ATOM 912 N VAL A 63 8.969 -1.076 0.584 1.00 0.00 N ATOM 913 CA VAL A 63 7.597 -1.326 0.986 1.00 0.00 C ATOM 914 C VAL A 63 6.861 -0.023 1.267 1.00 0.00 C ATOM 915 O VAL A 63 7.470 0.975 1.657 1.00 0.00 O ATOM 916 CB VAL A 63 7.555 -2.223 2.240 1.00 0.00 C ATOM 917 CG1 VAL A 63 8.133 -1.490 3.440 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.143 -2.709 2.524 1.00 0.00 C ATOM 0 H VAL A 63 9.455 -0.371 1.138 1.00 0.00 H new ATOM 0 HA VAL A 63 7.100 -1.837 0.161 1.00 0.00 H new ATOM 0 HB VAL A 63 8.171 -3.102 2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.095 -2.138 4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.168 -1.217 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.551 -0.589 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.147 -3.339 3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.490 -1.852 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.779 -3.285 1.673 1.00 0.00 H new ATOM 928 N ALA A 64 5.560 -0.034 1.026 1.00 0.00 N ATOM 929 CA ALA A 64 4.706 1.087 1.365 1.00 0.00 C ATOM 930 C ALA A 64 3.372 0.589 1.899 1.00 0.00 C ATOM 931 O ALA A 64 2.567 0.024 1.159 1.00 0.00 O ATOM 932 CB ALA A 64 4.497 1.988 0.161 1.00 0.00 C ATOM 0 H ALA A 64 5.071 -0.817 0.592 1.00 0.00 H new ATOM 0 HA ALA A 64 5.196 1.672 2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.853 2.823 0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.460 2.370 -0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.028 1.419 -0.642 1.00 0.00 H new ATOM 938 N TYR A 65 3.159 0.769 3.188 1.00 0.00 N ATOM 939 CA TYR A 65 1.907 0.382 3.814 1.00 0.00 C ATOM 940 C TYR A 65 0.884 1.507 3.702 1.00 0.00 C ATOM 941 O TYR A 65 1.113 2.619 4.184 1.00 0.00 O ATOM 942 CB TYR A 65 2.145 0.012 5.266 1.00 0.00 C ATOM 943 CG TYR A 65 2.846 -1.319 5.431 1.00 0.00 C ATOM 944 CD1 TYR A 65 2.193 -2.506 5.124 1.00 0.00 C ATOM 945 CD2 TYR A 65 4.157 -1.391 5.885 1.00 0.00 C ATOM 946 CE1 TYR A 65 2.824 -3.725 5.272 1.00 0.00 C ATOM 947 CE2 TYR A 65 4.793 -2.606 6.033 1.00 0.00 C ATOM 948 CZ TYR A 65 4.124 -3.769 5.723 1.00 0.00 C ATOM 949 OH TYR A 65 4.757 -4.981 5.872 1.00 0.00 O ATOM 0 H TYR A 65 3.839 1.183 3.826 1.00 0.00 H new ATOM 0 HA TYR A 65 1.508 -0.490 3.295 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.741 0.791 5.741 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.189 -0.020 5.788 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.175 -2.475 4.764 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.687 -0.481 6.126 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.300 -4.639 5.035 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.811 -2.645 6.391 1.00 0.00 H new ATOM 0 HH TYR A 65 4.305 -5.656 5.324 1.00 0.00 H new ATOM 959 N ILE A 66 -0.232 1.221 3.044 1.00 0.00 N ATOM 960 CA ILE A 66 -1.248 2.232 2.779 1.00 0.00 C ATOM 961 C ILE A 66 -2.625 1.760 3.233 1.00 0.00 C ATOM 962 O ILE A 66 -2.971 0.594 3.071 1.00 0.00 O ATOM 963 CB ILE A 66 -1.315 2.571 1.273 1.00 0.00 C ATOM 964 CG1 ILE A 66 0.076 2.915 0.733 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.283 3.721 1.024 1.00 0.00 C ATOM 966 CD1 ILE A 66 0.091 3.205 -0.750 1.00 0.00 C ATOM 0 H ILE A 66 -0.457 0.294 2.683 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.965 3.122 3.341 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.681 1.692 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.461 3.783 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.753 2.086 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.316 3.944 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.279 3.439 1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.948 4.603 1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.108 3.441 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.264 2.330 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.560 4.053 -0.961 1.00 0.00 H new ATOM 978 N ASN A 67 -3.403 2.673 3.794 1.00 0.00 N ATOM 979 CA ASN A 67 -4.777 2.385 4.183 1.00 0.00 C ATOM 980 C ASN A 67 -5.731 2.935 3.124 1.00 0.00 C ATOM 981 O ASN A 67 -5.752 4.142 2.866 1.00 0.00 O ATOM 982 CB ASN A 67 -5.105 3.026 5.537 1.00 0.00 C ATOM 983 CG ASN A 67 -4.219 2.550 6.676 1.00 0.00 C ATOM 984 OD1 ASN A 67 -3.748 1.414 6.694 1.00 0.00 O ATOM 985 ND2 ASN A 67 -3.992 3.427 7.643 1.00 0.00 N ATOM 0 H ASN A 67 -3.104 3.628 3.992 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.893 1.305 4.269 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.013 4.108 5.447 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.145 2.814 5.786 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.408 3.169 8.439 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.401 4.360 7.592 1.00 0.00 H new ATOM 992 N VAL A 68 -6.511 2.065 2.501 1.00 0.00 N ATOM 993 CA VAL A 68 -7.425 2.493 1.451 1.00 0.00 C ATOM 994 C VAL A 68 -8.878 2.220 1.825 1.00 0.00 C ATOM 995 O VAL A 68 -9.220 1.149 2.330 1.00 0.00 O ATOM 996 CB VAL A 68 -7.091 1.817 0.094 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.202 0.301 0.179 1.00 0.00 C ATOM 998 CG2 VAL A 68 -7.982 2.355 -1.017 1.00 0.00 C ATOM 0 H VAL A 68 -6.531 1.065 2.702 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.295 3.570 1.342 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.056 2.062 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.961 -0.136 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.506 -0.073 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.219 0.026 0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.728 1.865 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.026 2.156 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.831 3.430 -1.116 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.722 3.212 1.588 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.148 3.089 1.826 1.00 0.00 C ATOM 1010 C GLU A 69 -11.893 3.222 0.503 1.00 0.00 C ATOM 1011 O GLU A 69 -12.103 4.327 0.000 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.616 4.155 2.821 1.00 0.00 C ATOM 1013 CG GLU A 69 -13.097 4.081 3.158 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.522 5.157 4.137 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -13.831 6.283 3.695 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -13.543 4.891 5.356 1.00 0.00 O ATOM 0 H GLU A 69 -9.437 4.122 1.226 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.360 2.111 2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.040 4.056 3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.396 5.141 2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.680 4.176 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.322 3.101 3.579 1.00 0.00 H new ATOM 1023 N THR A 70 -12.255 2.083 -0.068 1.00 0.00 N ATOM 1024 CA THR A 70 -12.920 2.028 -1.362 1.00 0.00 C ATOM 1025 C THR A 70 -14.290 2.707 -1.319 1.00 0.00 C ATOM 1026 O THR A 70 -14.753 3.117 -0.256 1.00 0.00 O ATOM 1027 CB THR A 70 -13.095 0.562 -1.801 1.00 0.00 C ATOM 1028 OG1 THR A 70 -13.781 -0.174 -0.778 1.00 0.00 O ATOM 1029 CG2 THR A 70 -11.746 -0.083 -2.072 1.00 0.00 C ATOM 0 H THR A 70 -12.096 1.168 0.354 1.00 0.00 H new ATOM 0 HA THR A 70 -12.294 2.561 -2.078 1.00 0.00 H new ATOM 0 HB THR A 70 -13.681 0.546 -2.720 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.168 -0.349 -0.034 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.893 -1.118 -2.381 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.234 0.463 -2.865 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.142 -0.057 -1.165 1.00 0.00 H new ATOM 1037 N LYS A 71 -14.949 2.816 -2.471 1.00 0.00 N ATOM 1038 CA LYS A 71 -16.301 3.373 -2.517 1.00 0.00 C ATOM 1039 C LYS A 71 -17.296 2.392 -1.902 1.00 0.00 C ATOM 1040 O LYS A 71 -18.464 2.714 -1.691 1.00 0.00 O ATOM 1041 CB LYS A 71 -16.714 3.726 -3.947 1.00 0.00 C ATOM 1042 CG LYS A 71 -15.923 4.878 -4.544 1.00 0.00 C ATOM 1043 CD LYS A 71 -16.562 5.388 -5.827 1.00 0.00 C ATOM 1044 CE LYS A 71 -15.716 6.459 -6.498 1.00 0.00 C ATOM 1045 NZ LYS A 71 -15.469 7.626 -5.610 1.00 0.00 N ATOM 0 H LYS A 71 -14.575 2.530 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.304 4.295 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.591 2.846 -4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.774 3.981 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.859 5.691 -3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.903 4.553 -4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.706 4.556 -6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.549 5.793 -5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.762 6.028 -6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.215 6.796 -7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.962 8.364 -6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.377 8.004 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.895 7.327 -4.796 1.00 0.00 H new ATOM 1059 N GLU A 72 -16.815 1.191 -1.615 1.00 0.00 N ATOM 1060 CA GLU A 72 -17.597 0.206 -0.891 1.00 0.00 C ATOM 1061 C GLU A 72 -17.522 0.508 0.606 1.00 0.00 C ATOM 1062 O GLU A 72 -18.214 -0.106 1.418 1.00 0.00 O ATOM 1063 CB GLU A 72 -17.062 -1.200 -1.178 1.00 0.00 C ATOM 1064 CG GLU A 72 -18.005 -2.308 -0.747 1.00 0.00 C ATOM 1065 CD GLU A 72 -19.308 -2.275 -1.512 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -20.240 -1.562 -1.080 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -19.398 -2.954 -2.556 1.00 0.00 O ATOM 0 H GLU A 72 -15.880 0.876 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 72 -18.636 0.252 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.868 -1.295 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.107 -1.328 -0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -17.522 -3.273 -0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.209 -2.215 0.320 1.00 0.00 H new ATOM 1074 N ARG A 73 -16.647 1.455 0.946 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.406 1.874 2.327 1.00 0.00 C ATOM 1076 C ARG A 73 -15.806 0.747 3.152 1.00 0.00 C ATOM 1077 O ARG A 73 -15.713 0.837 4.375 1.00 0.00 O ATOM 1078 CB ARG A 73 -17.678 2.424 2.975 1.00 0.00 C ATOM 1079 CG ARG A 73 -18.010 3.830 2.510 1.00 0.00 C ATOM 1080 CD ARG A 73 -19.276 4.361 3.156 1.00 0.00 C ATOM 1081 NE ARG A 73 -19.407 5.804 2.963 1.00 0.00 N ATOM 1082 CZ ARG A 73 -20.383 6.386 2.272 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -21.327 5.651 1.696 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -20.405 7.709 2.149 1.00 0.00 N ATOM 0 H ARG A 73 -16.080 1.958 0.263 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.677 2.684 2.300 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.513 1.763 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.559 2.422 4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.178 4.494 2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.127 3.835 1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -20.143 3.855 2.731 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -19.265 4.134 4.222 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.701 6.406 3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -21.306 4.635 1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -22.073 6.103 1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.675 8.274 2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -21.152 8.160 1.620 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.385 -0.307 2.473 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.627 -1.363 3.111 1.00 0.00 C ATOM 1100 C ASN A 74 -13.161 -0.991 3.074 1.00 0.00 C ATOM 1101 O ASN A 74 -12.607 -0.720 2.003 1.00 0.00 O ATOM 1102 CB ASN A 74 -14.860 -2.713 2.431 1.00 0.00 C ATOM 1103 CG ASN A 74 -16.044 -3.462 3.017 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -17.232 -3.223 2.480 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 -15.891 -4.249 3.953 1.00 0.00 N flip ATOM 0 H ASN A 74 -15.557 -0.452 1.478 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.960 -1.468 4.144 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.025 -2.556 1.365 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.963 -3.325 2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.960 -4.407 4.340 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.695 -4.743 4.341 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.546 -0.949 4.238 1.00 0.00 N ATOM 1113 CA ARG A 75 -11.205 -0.421 4.364 1.00 0.00 C ATOM 1114 C ARG A 75 -10.187 -1.544 4.396 1.00 0.00 C ATOM 1115 O ARG A 75 -10.323 -2.497 5.156 1.00 0.00 O ATOM 1116 CB ARG A 75 -11.119 0.439 5.623 1.00 0.00 C ATOM 1117 CG ARG A 75 -12.135 1.570 5.624 1.00 0.00 C ATOM 1118 CD ARG A 75 -12.243 2.237 6.980 1.00 0.00 C ATOM 1119 NE ARG A 75 -12.686 1.307 8.017 1.00 0.00 N ATOM 1120 CZ ARG A 75 -12.733 1.609 9.313 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -12.439 2.838 9.722 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -13.097 0.695 10.202 1.00 0.00 N ATOM 0 H ARG A 75 -12.956 -1.276 5.113 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.977 0.199 3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.278 -0.189 6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.115 0.856 5.707 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.852 2.312 4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.111 1.181 5.333 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.274 2.653 7.257 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.942 3.071 6.919 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.976 0.372 7.731 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.177 3.552 9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.476 3.067 10.715 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.343 -0.246 9.895 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.131 0.933 11.193 1.00 0.00 H new ATOM 1136 N TYR A 76 -9.181 -1.432 3.551 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.144 -2.443 3.459 1.00 0.00 C ATOM 1138 C TYR A 76 -6.781 -1.786 3.591 1.00 0.00 C ATOM 1139 O TYR A 76 -6.586 -0.654 3.144 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.216 -3.180 2.114 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.573 -3.767 1.778 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -9.944 -5.022 2.239 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -10.473 -3.071 0.979 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -11.174 -5.569 1.915 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -11.705 -3.608 0.655 1.00 0.00 C ATOM 1146 CZ TYR A 76 -12.051 -4.859 1.122 1.00 0.00 C ATOM 1147 OH TYR A 76 -13.276 -5.399 0.794 1.00 0.00 O ATOM 0 H TYR A 76 -9.059 -0.645 2.914 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.295 -3.163 4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.930 -2.488 1.322 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.480 -3.984 2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.262 -5.582 2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.205 -2.094 0.605 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.446 -6.548 2.282 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.394 -3.050 0.038 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.771 -4.768 0.231 1.00 0.00 H new ATOM 1157 N CYS A 77 -5.848 -2.481 4.211 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.475 -2.019 4.256 1.00 0.00 C ATOM 1159 C CYS A 77 -3.637 -2.817 3.270 1.00 0.00 C ATOM 1160 O CYS A 77 -3.652 -4.053 3.270 1.00 0.00 O ATOM 1161 CB CYS A 77 -3.916 -2.111 5.675 1.00 0.00 C ATOM 1162 SG CYS A 77 -4.514 -3.526 6.617 1.00 0.00 S ATOM 0 H CYS A 77 -6.015 -3.366 4.690 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.440 -0.969 3.967 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.828 -2.158 5.622 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.170 -1.198 6.213 1.00 0.00 H new ATOM 0 HG CYS A 77 -3.647 -3.834 7.535 1.00 0.00 H new ATOM 1168 N LEU A 78 -2.927 -2.100 2.416 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.195 -2.711 1.325 1.00 0.00 C ATOM 1170 C LEU A 78 -0.695 -2.592 1.529 1.00 0.00 C ATOM 1171 O LEU A 78 -0.181 -1.544 1.929 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.591 -2.064 -0.006 1.00 0.00 C ATOM 1173 CG LEU A 78 -4.086 -2.112 -0.329 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.374 -1.356 -1.613 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.567 -3.554 -0.443 1.00 0.00 C ATOM 0 H LEU A 78 -2.843 -1.084 2.460 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.452 -3.770 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.270 -1.022 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.045 -2.558 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.628 -1.633 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.441 -1.399 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.069 -0.316 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.819 -1.809 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.632 -3.565 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.019 -4.059 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.394 -4.071 0.501 1.00 0.00 H new ATOM 1187 N GLU A 79 -0.015 -3.686 1.267 1.00 0.00 N ATOM 1188 CA GLU A 79 1.427 -3.744 1.288 1.00 0.00 C ATOM 1189 C GLU A 79 1.948 -3.537 -0.128 1.00 0.00 C ATOM 1190 O GLU A 79 1.964 -4.464 -0.940 1.00 0.00 O ATOM 1191 CB GLU A 79 1.868 -5.100 1.849 1.00 0.00 C ATOM 1192 CG GLU A 79 3.370 -5.300 1.939 1.00 0.00 C ATOM 1193 CD GLU A 79 3.727 -6.588 2.662 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.490 -7.680 2.096 1.00 0.00 O ATOM 1195 OE2 GLU A 79 4.231 -6.508 3.801 1.00 0.00 O ATOM 0 H GLU A 79 -0.457 -4.574 1.030 1.00 0.00 H new ATOM 0 HA GLU A 79 1.835 -2.961 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.440 -5.221 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.449 -5.888 1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.795 -5.317 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.818 -4.454 2.461 1.00 0.00 H new ATOM 1202 N LEU A 80 2.306 -2.303 -0.441 1.00 0.00 N ATOM 1203 CA LEU A 80 2.796 -1.971 -1.765 1.00 0.00 C ATOM 1204 C LEU A 80 4.254 -2.377 -1.901 1.00 0.00 C ATOM 1205 O LEU A 80 5.118 -1.873 -1.183 1.00 0.00 O ATOM 1206 CB LEU A 80 2.631 -0.471 -2.035 1.00 0.00 C ATOM 1207 CG LEU A 80 3.174 0.020 -3.379 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.457 -0.661 -4.535 1.00 0.00 C ATOM 1209 CD2 LEU A 80 3.038 1.530 -3.482 1.00 0.00 C ATOM 0 H LEU A 80 2.266 -1.515 0.205 1.00 0.00 H new ATOM 0 HA LEU A 80 2.211 -2.520 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.571 -0.224 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.129 0.081 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 80 4.231 -0.240 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.860 -0.296 -5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.605 -1.739 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.391 -0.437 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.428 1.866 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.987 1.807 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.601 2.002 -2.677 1.00 0.00 H new ATOM 1221 N THR A 81 4.509 -3.311 -2.803 1.00 0.00 N ATOM 1222 CA THR A 81 5.863 -3.742 -3.097 1.00 0.00 C ATOM 1223 C THR A 81 6.121 -3.628 -4.593 1.00 0.00 C ATOM 1224 O THR A 81 5.195 -3.391 -5.370 1.00 0.00 O ATOM 1225 CB THR A 81 6.116 -5.194 -2.638 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.151 -6.078 -3.229 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.054 -5.310 -1.120 1.00 0.00 C ATOM 0 H THR A 81 3.789 -3.787 -3.347 1.00 0.00 H new ATOM 0 HA THR A 81 6.546 -3.094 -2.547 1.00 0.00 H new ATOM 0 HB THR A 81 7.116 -5.478 -2.966 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.473 -5.552 -3.703 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.236 -6.344 -0.826 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.813 -4.667 -0.675 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.068 -5.002 -0.772 1.00 0.00 H new ATOM 1235 N GLU A 82 7.365 -3.821 -5.001 1.00 0.00 N ATOM 1236 CA GLU A 82 7.727 -3.701 -6.407 1.00 0.00 C ATOM 1237 C GLU A 82 7.264 -4.919 -7.208 1.00 0.00 C ATOM 1238 O GLU A 82 7.316 -4.920 -8.437 1.00 0.00 O ATOM 1239 CB GLU A 82 9.237 -3.477 -6.560 1.00 0.00 C ATOM 1240 CG GLU A 82 10.091 -4.145 -5.488 1.00 0.00 C ATOM 1241 CD GLU A 82 10.036 -5.658 -5.536 1.00 0.00 C ATOM 1242 OE1 GLU A 82 9.152 -6.242 -4.877 1.00 0.00 O ATOM 1243 OE2 GLU A 82 10.879 -6.266 -6.227 1.00 0.00 O ATOM 0 H GLU A 82 8.140 -4.061 -4.382 1.00 0.00 H new ATOM 0 HA GLU A 82 7.212 -2.830 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.549 -3.847 -7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.435 -2.405 -6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.126 -3.822 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.759 -3.807 -4.506 1.00 0.00 H new ATOM 1250 N ALA A 83 6.809 -5.949 -6.505 1.00 0.00 N ATOM 1251 CA ALA A 83 6.261 -7.139 -7.144 1.00 0.00 C ATOM 1252 C ALA A 83 4.770 -6.970 -7.421 1.00 0.00 C ATOM 1253 O ALA A 83 4.211 -7.639 -8.292 1.00 0.00 O ATOM 1254 CB ALA A 83 6.501 -8.359 -6.269 1.00 0.00 C ATOM 0 H ALA A 83 6.809 -5.984 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 83 6.769 -7.282 -8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.088 -9.243 -6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.572 -8.495 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.015 -8.216 -5.304 1.00 0.00 H new ATOM 1260 N GLY A 84 4.140 -6.065 -6.684 1.00 0.00 N ATOM 1261 CA GLY A 84 2.715 -5.846 -6.825 1.00 0.00 C ATOM 1262 C GLY A 84 2.070 -5.460 -5.509 1.00 0.00 C ATOM 1263 O GLY A 84 2.764 -5.244 -4.511 1.00 0.00 O ATOM 0 H GLY A 84 4.595 -5.475 -5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.539 -5.060 -7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.245 -6.752 -7.208 1.00 0.00 H new ATOM 1267 N LEU A 85 0.748 -5.372 -5.500 1.00 0.00 N ATOM 1268 CA LEU A 85 0.020 -4.994 -4.296 1.00 0.00 C ATOM 1269 C LEU A 85 -0.574 -6.221 -3.615 1.00 0.00 C ATOM 1270 O LEU A 85 -1.278 -7.019 -4.239 1.00 0.00 O ATOM 1271 CB LEU A 85 -1.088 -3.979 -4.606 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.612 -2.577 -5.006 1.00 0.00 C ATOM 1273 CD1 LEU A 85 -0.114 -2.552 -6.442 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -1.724 -1.559 -4.814 1.00 0.00 C ATOM 0 H LEU A 85 0.158 -5.557 -6.311 1.00 0.00 H new ATOM 0 HA LEU A 85 0.733 -4.524 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.705 -4.377 -5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.729 -3.889 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 85 0.221 -2.311 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.216 -1.545 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.720 -3.245 -6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.921 -2.848 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.366 -0.571 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.578 -1.832 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.026 -1.543 -3.767 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.283 -6.353 -2.332 1.00 0.00 N ATOM 1287 CA LYS A 86 -0.732 -7.490 -1.539 1.00 0.00 C ATOM 1288 C LYS A 86 -1.471 -7.006 -0.295 1.00 0.00 C ATOM 1289 O LYS A 86 -1.058 -6.038 0.329 1.00 0.00 O ATOM 1290 CB LYS A 86 0.490 -8.337 -1.164 1.00 0.00 C ATOM 1291 CG LYS A 86 0.288 -9.276 0.009 1.00 0.00 C ATOM 1292 CD LYS A 86 1.543 -10.095 0.269 1.00 0.00 C ATOM 1293 CE LYS A 86 1.577 -10.670 1.676 1.00 0.00 C ATOM 1294 NZ LYS A 86 1.740 -9.609 2.708 1.00 0.00 N ATOM 0 H LYS A 86 0.271 -5.676 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.427 -8.100 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.785 -8.925 -2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.320 -7.668 -0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.032 -8.702 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.551 -9.942 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.600 -10.908 -0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.421 -9.469 0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.656 -11.221 1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.397 -11.383 1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.995 -10.045 3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.492 -8.953 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.847 -9.087 2.813 1.00 0.00 H new ATOM 1308 N VAL A 87 -2.569 -7.663 0.051 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.362 -7.265 1.209 1.00 0.00 C ATOM 1310 C VAL A 87 -2.711 -7.766 2.499 1.00 0.00 C ATOM 1311 O VAL A 87 -2.180 -8.879 2.541 1.00 0.00 O ATOM 1312 CB VAL A 87 -4.807 -7.809 1.114 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -5.662 -7.302 2.268 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -5.432 -7.433 -0.222 1.00 0.00 C ATOM 0 H VAL A 87 -2.932 -8.473 -0.452 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.402 -6.176 1.222 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.763 -8.896 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.672 -7.701 2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.229 -7.629 3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.698 -6.213 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.448 -7.824 -0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.456 -6.348 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.840 -7.858 -1.033 1.00 0.00 H new ATOM 1324 N VAL A 88 -2.723 -6.936 3.538 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.161 -7.333 4.827 1.00 0.00 C ATOM 1326 C VAL A 88 -3.200 -7.287 5.944 1.00 0.00 C ATOM 1327 O VAL A 88 -2.984 -7.851 7.016 1.00 0.00 O ATOM 1328 CB VAL A 88 -0.941 -6.471 5.221 1.00 0.00 C ATOM 1329 CG1 VAL A 88 0.262 -6.826 4.366 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.259 -4.990 5.102 1.00 0.00 C ATOM 0 H VAL A 88 -3.111 -5.993 3.515 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.830 -8.364 4.701 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.701 -6.683 6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.111 -6.208 4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.512 -7.877 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.028 -6.648 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.383 -4.406 5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.532 -4.758 4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.090 -4.742 5.763 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.317 -6.609 5.706 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.391 -6.603 6.678 1.00 0.00 C ATOM 1342 C GLY A 89 -6.643 -5.950 6.141 1.00 0.00 C ATOM 1343 O GLY A 89 -6.678 -5.511 4.989 1.00 0.00 O ATOM 0 H GLY A 89 -4.497 -6.066 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.616 -7.627 6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.064 -6.076 7.575 1.00 0.00 H new ATOM 1347 N TYR A 90 -7.662 -5.870 6.983 1.00 0.00 N ATOM 1348 CA TYR A 90 -8.946 -5.302 6.589 1.00 0.00 C ATOM 1349 C TYR A 90 -9.306 -4.136 7.500 1.00 0.00 C ATOM 1350 O TYR A 90 -10.474 -3.914 7.819 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.042 -6.369 6.642 1.00 0.00 C ATOM 1352 CG TYR A 90 -9.725 -7.603 5.822 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -9.951 -7.628 4.452 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -9.186 -8.737 6.418 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -9.653 -8.750 3.700 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -8.886 -9.860 5.674 1.00 0.00 C ATOM 1357 CZ TYR A 90 -9.120 -9.861 4.317 1.00 0.00 C ATOM 1358 OH TYR A 90 -8.821 -10.979 3.575 1.00 0.00 O ATOM 0 H TYR A 90 -7.626 -6.193 7.950 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.864 -4.938 5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.202 -6.663 7.679 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.977 -5.936 6.286 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.366 -6.757 3.966 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.999 -8.739 7.482 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.837 -8.755 2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.470 -10.734 6.154 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.452 -11.672 4.162 1.00 0.00 H new ATOM 1368 N ALA A 91 -8.290 -3.392 7.910 1.00 0.00 N ATOM 1369 CA ALA A 91 -8.472 -2.240 8.780 1.00 0.00 C ATOM 1370 C ALA A 91 -7.340 -1.243 8.557 1.00 0.00 C ATOM 1371 O ALA A 91 -6.605 -1.348 7.579 1.00 0.00 O ATOM 1372 CB ALA A 91 -8.525 -2.675 10.238 1.00 0.00 C ATOM 0 H ALA A 91 -7.320 -3.569 7.650 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.419 -1.758 8.537 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.661 -1.800 10.874 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.359 -3.362 10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.593 -3.174 10.503 1.00 0.00 H new ATOM 1378 N PHE A 92 -7.195 -0.281 9.457 1.00 0.00 N ATOM 1379 CA PHE A 92 -6.126 0.700 9.333 1.00 0.00 C ATOM 1380 C PHE A 92 -4.886 0.244 10.085 1.00 0.00 C ATOM 1381 O PHE A 92 -4.974 -0.145 11.252 1.00 0.00 O ATOM 1382 CB PHE A 92 -6.568 2.066 9.860 1.00 0.00 C ATOM 1383 CG PHE A 92 -7.561 2.776 8.982 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -7.682 2.450 7.640 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -8.363 3.779 9.497 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -8.585 3.110 6.829 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -9.267 4.444 8.690 1.00 0.00 C ATOM 1388 CZ PHE A 92 -9.378 4.111 7.354 1.00 0.00 C ATOM 0 H PHE A 92 -7.796 -0.159 10.272 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.888 0.792 8.273 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.004 1.937 10.851 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.688 2.699 9.979 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.062 1.670 7.223 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.282 4.045 10.541 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.670 2.843 5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.887 5.225 9.105 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.082 4.632 6.722 1.00 0.00 H new ATOM 1398 N ASP A 93 -3.745 0.279 9.398 1.00 0.00 N ATOM 1399 CA ASP A 93 -2.449 -0.022 10.010 1.00 0.00 C ATOM 1400 C ASP A 93 -2.428 -1.418 10.630 1.00 0.00 C ATOM 1401 O ASP A 93 -2.024 -1.595 11.782 1.00 0.00 O ATOM 1402 CB ASP A 93 -2.090 1.034 11.069 1.00 0.00 C ATOM 1403 CG ASP A 93 -1.745 2.386 10.465 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -2.661 3.098 10.004 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -0.550 2.750 10.462 1.00 0.00 O ATOM 0 H ASP A 93 -3.691 0.515 8.407 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.701 0.003 9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.928 1.152 11.756 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.244 0.678 11.657 1.00 0.00 H new ATOM 1410 N GLN A 94 -2.853 -2.409 9.859 1.00 0.00 N ATOM 1411 CA GLN A 94 -2.872 -3.790 10.327 1.00 0.00 C ATOM 1412 C GLN A 94 -2.131 -4.696 9.348 1.00 0.00 C ATOM 1413 O GLN A 94 -2.374 -4.642 8.146 1.00 0.00 O ATOM 1414 CB GLN A 94 -4.314 -4.273 10.487 1.00 0.00 C ATOM 1415 CG GLN A 94 -4.429 -5.693 11.019 1.00 0.00 C ATOM 1416 CD GLN A 94 -5.858 -6.199 11.042 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -6.684 -5.814 10.211 1.00 0.00 O ATOM 1418 NE2 GLN A 94 -6.160 -7.061 12.000 1.00 0.00 N ATOM 0 H GLN A 94 -3.190 -2.283 8.905 1.00 0.00 H new ATOM 0 HA GLN A 94 -2.371 -3.832 11.294 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -4.841 -3.598 11.162 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -4.816 -4.215 9.521 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -3.823 -6.357 10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.018 -5.732 12.028 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.446 -7.353 12.667 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.107 -7.433 12.071 1.00 0.00 H new ATOM 1427 N VAL A 95 -1.223 -5.516 9.860 1.00 0.00 N ATOM 1428 CA VAL A 95 -0.510 -6.473 9.027 1.00 0.00 C ATOM 1429 C VAL A 95 -0.534 -7.860 9.654 1.00 0.00 C ATOM 1430 O VAL A 95 0.083 -8.095 10.697 1.00 0.00 O ATOM 1431 CB VAL A 95 0.956 -6.053 8.779 1.00 0.00 C ATOM 1432 CG1 VAL A 95 1.710 -7.127 8.005 1.00 0.00 C ATOM 1433 CG2 VAL A 95 1.013 -4.736 8.030 1.00 0.00 C ATOM 0 H VAL A 95 -0.964 -5.537 10.846 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.026 -6.494 8.067 1.00 0.00 H new ATOM 0 HB VAL A 95 1.436 -5.928 9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.739 -6.805 7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.705 -8.057 8.574 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.226 -7.289 7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.053 -4.456 7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.508 -4.841 7.070 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.518 -3.962 8.617 1.00 0.00 H new ATOM 1443 N ASP A 96 -1.269 -8.759 9.028 1.00 0.00 N ATOM 1444 CA ASP A 96 -1.285 -10.150 9.436 1.00 0.00 C ATOM 1445 C ASP A 96 -0.355 -10.952 8.534 1.00 0.00 C ATOM 1446 O ASP A 96 -0.408 -10.827 7.310 1.00 0.00 O ATOM 1447 CB ASP A 96 -2.706 -10.712 9.378 1.00 0.00 C ATOM 1448 CG ASP A 96 -2.757 -12.171 9.768 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -2.806 -12.471 10.978 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -2.727 -13.026 8.869 1.00 0.00 O ATOM 0 H ASP A 96 -1.867 -8.548 8.229 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.937 -10.224 10.466 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.350 -10.137 10.043 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.102 -10.593 8.369 1.00 0.00 H new ATOM 1455 N ASP A 97 0.498 -11.766 9.139 1.00 0.00 N ATOM 1456 CA ASP A 97 1.528 -12.485 8.392 1.00 0.00 C ATOM 1457 C ASP A 97 0.963 -13.732 7.725 1.00 0.00 C ATOM 1458 O ASP A 97 1.631 -14.369 6.910 1.00 0.00 O ATOM 1459 CB ASP A 97 2.682 -12.882 9.317 1.00 0.00 C ATOM 1460 CG ASP A 97 2.300 -13.989 10.282 1.00 0.00 C ATOM 1461 OD1 ASP A 97 1.492 -13.730 11.197 1.00 0.00 O ATOM 1462 OD2 ASP A 97 2.807 -15.121 10.127 1.00 0.00 O ATOM 0 H ASP A 97 0.500 -11.947 10.143 1.00 0.00 H new ATOM 0 HA ASP A 97 1.897 -11.814 7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.531 -13.206 8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.007 -12.008 9.882 1.00 0.00 H new ATOM 1467 N HIS A 98 -0.267 -14.077 8.065 1.00 0.00 N ATOM 1468 CA HIS A 98 -0.892 -15.276 7.525 1.00 0.00 C ATOM 1469 C HIS A 98 -1.554 -14.957 6.194 1.00 0.00 C ATOM 1470 O HIS A 98 -1.798 -15.848 5.376 1.00 0.00 O ATOM 1471 CB HIS A 98 -1.929 -15.841 8.502 1.00 0.00 C ATOM 1472 CG HIS A 98 -1.449 -15.917 9.920 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -1.775 -14.972 10.868 1.00 0.00 N ATOM 1474 CD2 HIS A 98 -0.665 -16.824 10.548 1.00 0.00 C ATOM 1475 CE1 HIS A 98 -1.214 -15.291 12.017 1.00 0.00 C ATOM 1476 NE2 HIS A 98 -0.536 -16.410 11.852 1.00 0.00 N ATOM 0 H HIS A 98 -0.853 -13.547 8.710 1.00 0.00 H new ATOM 0 HA HIS A 98 -0.118 -16.029 7.374 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -2.825 -15.221 8.465 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -2.218 -16.839 8.173 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -2.360 -14.152 10.706 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -0.224 -17.706 10.108 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -1.296 -14.731 12.937 1.00 0.00 H new ATOM 1485 N LEU A 99 -1.857 -13.681 5.988 1.00 0.00 N ATOM 1486 CA LEU A 99 -2.422 -13.226 4.728 1.00 0.00 C ATOM 1487 C LEU A 99 -1.361 -13.203 3.640 1.00 0.00 C ATOM 1488 O LEU A 99 -0.400 -12.438 3.698 1.00 0.00 O ATOM 1489 CB LEU A 99 -3.059 -11.848 4.868 1.00 0.00 C ATOM 1490 CG LEU A 99 -4.335 -11.807 5.706 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -4.901 -10.404 5.730 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -5.364 -12.780 5.159 1.00 0.00 C ATOM 0 H LEU A 99 -1.720 -12.944 6.680 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.202 -13.933 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.329 -11.171 5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.284 -11.466 3.872 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.088 -12.103 6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.810 -10.389 6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.168 -9.723 6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.133 -10.088 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.266 -12.737 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.608 -12.512 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.958 -13.791 5.184 1.00 0.00 H new ATOM 1504 N GLN A 100 -1.556 -14.050 2.646 1.00 0.00 N ATOM 1505 CA GLN A 100 -0.603 -14.210 1.561 1.00 0.00 C ATOM 1506 C GLN A 100 -1.309 -14.029 0.226 1.00 0.00 C ATOM 1507 O GLN A 100 -1.037 -14.744 -0.737 1.00 0.00 O ATOM 1508 CB GLN A 100 0.046 -15.594 1.637 1.00 0.00 C ATOM 1509 CG GLN A 100 0.852 -15.822 2.908 1.00 0.00 C ATOM 1510 CD GLN A 100 1.425 -17.224 2.998 1.00 0.00 C ATOM 1511 OE1 GLN A 100 1.705 -17.823 1.855 1.00 0.00 O flip ATOM 1512 NE2 GLN A 100 1.621 -17.761 4.092 1.00 0.00 N flip ATOM 0 H GLN A 100 -2.379 -14.647 2.567 1.00 0.00 H new ATOM 0 HA GLN A 100 0.177 -13.454 1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.732 -16.355 1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.699 -15.728 0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.666 -15.098 2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 100 0.216 -15.638 3.774 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.391 -17.264 4.953 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.013 -18.702 4.135 1.00 0.00 H new ATOM 1521 N THR A 101 -2.212 -13.058 0.185 1.00 0.00 N ATOM 1522 CA THR A 101 -3.002 -12.774 -1.004 1.00 0.00 C ATOM 1523 C THR A 101 -2.106 -12.541 -2.218 1.00 0.00 C ATOM 1524 O THR A 101 -1.096 -11.835 -2.122 1.00 0.00 O ATOM 1525 CB THR A 101 -3.874 -11.528 -0.781 1.00 0.00 C ATOM 1526 OG1 THR A 101 -3.034 -10.407 -0.485 1.00 0.00 O ATOM 1527 CG2 THR A 101 -4.853 -11.747 0.363 1.00 0.00 C ATOM 0 H THR A 101 -2.417 -12.446 0.975 1.00 0.00 H new ATOM 0 HA THR A 101 -3.636 -13.640 -1.192 1.00 0.00 H new ATOM 0 HB THR A 101 -4.444 -11.336 -1.690 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.148 -10.152 0.454 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.458 -10.851 0.501 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.502 -12.591 0.130 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.301 -11.956 1.279 1.00 0.00 H new ATOM 1535 N PRO A 102 -2.456 -13.136 -3.370 1.00 0.00 N ATOM 1536 CA PRO A 102 -1.691 -12.981 -4.608 1.00 0.00 C ATOM 1537 C PRO A 102 -1.559 -11.521 -5.015 1.00 0.00 C ATOM 1538 O PRO A 102 -2.565 -10.816 -5.163 1.00 0.00 O ATOM 1539 CB PRO A 102 -2.515 -13.745 -5.648 1.00 0.00 C ATOM 1540 CG PRO A 102 -3.362 -14.684 -4.862 1.00 0.00 C ATOM 1541 CD PRO A 102 -3.634 -14.002 -3.553 1.00 0.00 C ATOM 0 HA PRO A 102 -0.672 -13.352 -4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.127 -13.066 -6.242 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.870 -14.284 -6.343 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.291 -14.904 -5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.851 -15.634 -4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.557 -13.424 -3.585 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.736 -14.720 -2.739 1.00 0.00 H new ATOM 1549 N TYR A 103 -0.319 -11.071 -5.177 1.00 0.00 N ATOM 1550 CA TYR A 103 -0.041 -9.701 -5.587 1.00 0.00 C ATOM 1551 C TYR A 103 -0.809 -9.361 -6.856 1.00 0.00 C ATOM 1552 O TYR A 103 -0.692 -10.057 -7.866 1.00 0.00 O ATOM 1553 CB TYR A 103 1.451 -9.496 -5.865 1.00 0.00 C ATOM 1554 CG TYR A 103 2.384 -9.832 -4.716 1.00 0.00 C ATOM 1555 CD1 TYR A 103 2.652 -8.908 -3.711 1.00 0.00 C ATOM 1556 CD2 TYR A 103 3.025 -11.063 -4.660 1.00 0.00 C ATOM 1557 CE1 TYR A 103 3.524 -9.208 -2.682 1.00 0.00 C ATOM 1558 CE2 TYR A 103 3.901 -11.366 -3.636 1.00 0.00 C ATOM 1559 CZ TYR A 103 4.148 -10.434 -2.651 1.00 0.00 C ATOM 1560 OH TYR A 103 5.030 -10.728 -1.637 1.00 0.00 O ATOM 0 H TYR A 103 0.514 -11.641 -5.029 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.352 -9.051 -4.769 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.729 -10.105 -6.725 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.610 -8.455 -6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.171 -7.941 -3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.835 -11.796 -5.430 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.715 -8.483 -1.905 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.390 -12.329 -3.607 1.00 0.00 H new ATOM 0 HH TYR A 103 5.382 -11.634 -1.762 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.606 -8.306 -6.802 1.00 0.00 N ATOM 1571 CA HIS A 104 -2.279 -7.821 -7.995 1.00 0.00 C ATOM 1572 C HIS A 104 -1.308 -7.008 -8.831 1.00 0.00 C ATOM 1573 O HIS A 104 -0.385 -6.393 -8.293 1.00 0.00 O ATOM 1574 CB HIS A 104 -3.524 -6.998 -7.652 1.00 0.00 C ATOM 1575 CG HIS A 104 -4.764 -7.829 -7.511 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -5.893 -7.631 -8.276 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -5.052 -8.862 -6.684 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -6.818 -8.502 -7.927 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -6.338 -9.264 -6.963 1.00 0.00 N ATOM 0 H HIS A 104 -1.801 -7.774 -5.954 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.617 -8.683 -8.571 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -3.349 -6.458 -6.721 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.682 -6.250 -8.429 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -5.997 -6.920 -9.000 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.394 -9.291 -5.943 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -7.805 -8.579 -8.358 1.00 0.00 H new ATOM 1588 N GLU A 105 -1.527 -7.019 -10.140 1.00 0.00 N ATOM 1589 CA GLU A 105 -0.601 -6.427 -11.101 1.00 0.00 C ATOM 1590 C GLU A 105 -0.308 -4.970 -10.755 1.00 0.00 C ATOM 1591 O GLU A 105 0.834 -4.602 -10.471 1.00 0.00 O ATOM 1592 CB GLU A 105 -1.192 -6.516 -12.505 1.00 0.00 C ATOM 1593 CG GLU A 105 -0.147 -6.589 -13.603 1.00 0.00 C ATOM 1594 CD GLU A 105 0.579 -7.917 -13.621 1.00 0.00 C ATOM 1595 OE1 GLU A 105 -0.031 -8.921 -14.045 1.00 0.00 O ATOM 1596 OE2 GLU A 105 1.761 -7.959 -13.223 1.00 0.00 O ATOM 0 H GLU A 105 -2.353 -7.439 -10.567 1.00 0.00 H new ATOM 0 HA GLU A 105 0.336 -6.982 -11.061 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -1.832 -7.396 -12.565 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -1.828 -5.648 -12.678 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.626 -6.427 -14.568 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.576 -5.785 -13.467 1.00 0.00 H new ATOM 1603 N THR A 106 -1.346 -4.148 -10.780 1.00 0.00 N ATOM 1604 CA THR A 106 -1.218 -2.746 -10.428 1.00 0.00 C ATOM 1605 C THR A 106 -2.293 -2.367 -9.422 1.00 0.00 C ATOM 1606 O THR A 106 -3.124 -3.201 -9.052 1.00 0.00 O ATOM 1607 CB THR A 106 -1.346 -1.828 -11.663 1.00 0.00 C ATOM 1608 OG1 THR A 106 -2.616 -2.029 -12.297 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.234 -2.091 -12.663 1.00 0.00 C ATOM 0 H THR A 106 -2.290 -4.432 -11.042 1.00 0.00 H new ATOM 0 HA THR A 106 -0.226 -2.608 -9.998 1.00 0.00 H new ATOM 0 HB THR A 106 -1.266 -0.796 -11.321 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.688 -1.441 -13.078 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.352 -1.429 -13.521 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.731 -1.905 -12.191 1.00 0.00 H new ATOM 0 HG23 THR A 106 -0.281 -3.128 -12.996 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.284 -1.116 -8.983 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.339 -0.617 -8.113 1.00 0.00 C ATOM 1619 C VAL A 107 -4.663 -0.573 -8.875 1.00 0.00 C ATOM 1620 O VAL A 107 -5.733 -0.698 -8.292 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.009 0.788 -7.548 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -2.903 1.822 -8.661 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.043 1.210 -6.511 1.00 0.00 C ATOM 0 H VAL A 107 -1.563 -0.432 -9.213 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.421 -1.301 -7.268 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.037 0.730 -7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.671 2.796 -8.231 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.112 1.532 -9.353 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.851 1.878 -9.197 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.791 2.199 -6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.030 1.240 -6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.048 0.493 -5.690 1.00 0.00 H new ATOM 1633 N TYR A 108 -4.570 -0.435 -10.191 1.00 0.00 N ATOM 1634 CA TYR A 108 -5.746 -0.347 -11.039 1.00 0.00 C ATOM 1635 C TYR A 108 -6.433 -1.704 -11.144 1.00 0.00 C ATOM 1636 O TYR A 108 -7.637 -1.823 -10.907 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.349 0.162 -12.424 1.00 0.00 C ATOM 1638 CG TYR A 108 -4.702 1.530 -12.391 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -5.470 2.673 -12.222 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -3.327 1.680 -12.527 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -4.892 3.926 -12.191 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -2.739 2.932 -12.495 1.00 0.00 C ATOM 1643 CZ TYR A 108 -3.527 4.053 -12.328 1.00 0.00 C ATOM 1644 OH TYR A 108 -2.953 5.305 -12.297 1.00 0.00 O ATOM 0 H TYR A 108 -3.685 -0.382 -10.695 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.450 0.356 -10.594 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.660 -0.548 -12.882 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -6.235 0.201 -13.058 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -6.540 2.581 -12.113 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.708 0.805 -12.660 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.508 4.804 -12.060 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.669 3.032 -12.600 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.286 5.798 -11.518 1.00 0.00 H new ATOM 1654 N SER A 109 -5.654 -2.735 -11.450 1.00 0.00 N ATOM 1655 CA SER A 109 -6.187 -4.084 -11.569 1.00 0.00 C ATOM 1656 C SER A 109 -6.466 -4.689 -10.193 1.00 0.00 C ATOM 1657 O SER A 109 -6.935 -5.820 -10.080 1.00 0.00 O ATOM 1658 CB SER A 109 -5.224 -4.963 -12.367 1.00 0.00 C ATOM 1659 OG SER A 109 -3.877 -4.684 -12.024 1.00 0.00 O ATOM 0 H SER A 109 -4.651 -2.661 -11.620 1.00 0.00 H new ATOM 0 HA SER A 109 -7.135 -4.033 -12.105 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.441 -6.014 -12.175 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.373 -4.796 -13.434 1.00 0.00 H new ATOM 0 HG SER A 109 -3.481 -4.100 -12.704 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.154 -3.935 -9.149 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.522 -4.312 -7.792 1.00 0.00 C ATOM 1667 C LEU A 110 -7.820 -3.624 -7.393 1.00 0.00 C ATOM 1668 O LEU A 110 -8.718 -4.239 -6.819 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.418 -3.928 -6.805 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.771 -4.138 -5.329 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.884 -5.618 -4.996 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.746 -3.469 -4.434 1.00 0.00 C ATOM 0 H LEU A 110 -5.644 -3.054 -9.217 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.659 -5.393 -7.764 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.525 -4.509 -7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.163 -2.879 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.742 -3.677 -5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.135 -5.736 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.665 -6.070 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.933 -6.110 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.015 -3.630 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.762 -3.896 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.724 -2.399 -4.642 1.00 0.00 H new ATOM 1684 N LEU A 111 -7.911 -2.343 -7.717 1.00 0.00 N ATOM 1685 CA LEU A 111 -9.053 -1.525 -7.330 1.00 0.00 C ATOM 1686 C LEU A 111 -10.275 -1.868 -8.175 1.00 0.00 C ATOM 1687 O LEU A 111 -11.408 -1.575 -7.791 1.00 0.00 O ATOM 1688 CB LEU A 111 -8.707 -0.042 -7.483 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.513 0.916 -6.602 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.138 0.735 -5.135 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -9.286 2.353 -7.040 1.00 0.00 C ATOM 0 H LEU A 111 -7.201 -1.843 -8.252 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.289 -1.732 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.648 0.091 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.852 0.242 -8.525 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.572 0.685 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.720 1.424 -4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.349 -0.290 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.076 0.941 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.865 3.023 -6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.227 2.597 -6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.602 2.472 -8.076 1.00 0.00 H new ATOM 1703 N ASP A 112 -10.042 -2.547 -9.297 1.00 0.00 N ATOM 1704 CA ASP A 112 -11.113 -2.899 -10.227 1.00 0.00 C ATOM 1705 C ASP A 112 -11.848 -4.080 -9.643 1.00 0.00 C ATOM 1706 O ASP A 112 -13.005 -4.357 -9.950 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.522 -3.249 -11.604 1.00 0.00 C ATOM 1708 CG ASP A 112 -11.542 -3.815 -12.580 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -11.712 -5.053 -12.616 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -12.151 -3.031 -13.340 1.00 0.00 O ATOM 0 H ASP A 112 -9.117 -2.865 -9.585 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.798 -2.062 -10.367 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.076 -2.353 -12.037 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.718 -3.973 -11.471 1.00 0.00 H new ATOM 1715 N THR A 113 -11.136 -4.738 -8.755 1.00 0.00 N ATOM 1716 CA THR A 113 -11.608 -5.901 -8.065 1.00 0.00 C ATOM 1717 C THR A 113 -12.365 -5.509 -6.798 1.00 0.00 C ATOM 1718 O THR A 113 -13.169 -6.281 -6.267 1.00 0.00 O ATOM 1719 CB THR A 113 -10.397 -6.758 -7.697 1.00 0.00 C ATOM 1720 OG1 THR A 113 -9.420 -6.681 -8.742 1.00 0.00 O ATOM 1721 CG2 THR A 113 -10.798 -8.189 -7.507 1.00 0.00 C ATOM 0 H THR A 113 -10.189 -4.466 -8.491 1.00 0.00 H new ATOM 0 HA THR A 113 -12.292 -6.456 -8.708 1.00 0.00 H new ATOM 0 HB THR A 113 -9.979 -6.381 -6.764 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.544 -6.469 -8.356 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.921 -8.781 -7.246 1.00 0.00 H new ATOM 0 HG22 THR A 113 -11.534 -8.257 -6.706 1.00 0.00 H new ATOM 0 HG23 THR A 113 -11.231 -8.571 -8.431 1.00 0.00 H new ATOM 1729 N LEU A 114 -12.119 -4.295 -6.326 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.687 -3.837 -5.067 1.00 0.00 C ATOM 1731 C LEU A 114 -13.868 -2.903 -5.303 1.00 0.00 C ATOM 1732 O LEU A 114 -14.874 -2.966 -4.596 1.00 0.00 O ATOM 1733 CB LEU A 114 -11.614 -3.130 -4.236 1.00 0.00 C ATOM 1734 CG LEU A 114 -10.406 -3.995 -3.876 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -9.370 -3.182 -3.123 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -10.836 -5.197 -3.050 1.00 0.00 C ATOM 0 H LEU A 114 -11.529 -3.609 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 114 -13.050 -4.708 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.266 -2.256 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -12.069 -2.766 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.957 -4.353 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.519 -3.816 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -9.036 -2.352 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -9.810 -2.792 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.962 -5.800 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.312 -4.855 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.542 -5.798 -3.623 1.00 0.00 H new ATOM 1748 N SER A 115 -13.743 -2.033 -6.290 1.00 0.00 N ATOM 1749 CA SER A 115 -14.804 -1.097 -6.609 1.00 0.00 C ATOM 1750 C SER A 115 -14.964 -0.952 -8.118 1.00 0.00 C ATOM 1751 O SER A 115 -14.132 -0.336 -8.781 1.00 0.00 O ATOM 1752 CB SER A 115 -14.513 0.268 -5.979 1.00 0.00 C ATOM 1753 OG SER A 115 -14.438 0.166 -4.565 1.00 0.00 O ATOM 0 H SER A 115 -12.917 -1.956 -6.884 1.00 0.00 H new ATOM 0 HA SER A 115 -15.736 -1.486 -6.200 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.574 0.661 -6.370 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.295 0.975 -6.256 1.00 0.00 H new ATOM 0 HG SER A 115 -15.120 0.740 -4.159 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.041 -1.523 -8.683 1.00 0.00 N ATOM 1760 CA PRO A 116 -16.368 -1.367 -10.106 1.00 0.00 C ATOM 1761 C PRO A 116 -16.697 0.087 -10.444 1.00 0.00 C ATOM 1762 O PRO A 116 -16.737 0.482 -11.611 1.00 0.00 O ATOM 1763 CB PRO A 116 -17.601 -2.259 -10.303 1.00 0.00 C ATOM 1764 CG PRO A 116 -17.627 -3.163 -9.119 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.017 -2.379 -7.993 1.00 0.00 C ATOM 0 HA PRO A 116 -15.536 -1.643 -10.754 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -18.512 -1.663 -10.363 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -17.531 -2.828 -11.230 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -18.647 -3.464 -8.879 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -17.063 -4.075 -9.311 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.763 -1.792 -7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -16.538 -3.029 -7.260 1.00 0.00 H new ATOM 1773 N ALA A 117 -16.906 0.883 -9.397 1.00 0.00 N ATOM 1774 CA ALA A 117 -17.198 2.303 -9.541 1.00 0.00 C ATOM 1775 C ALA A 117 -15.959 3.054 -10.009 1.00 0.00 C ATOM 1776 O ALA A 117 -16.041 4.200 -10.445 1.00 0.00 O ATOM 1777 CB ALA A 117 -17.703 2.875 -8.223 1.00 0.00 C ATOM 0 H ALA A 117 -16.877 0.561 -8.430 1.00 0.00 H new ATOM 0 HA ALA A 117 -17.979 2.424 -10.292 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -17.917 3.937 -8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -18.612 2.353 -7.925 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -16.941 2.745 -7.454 1.00 0.00 H new ATOM 1783 N TYR A 118 -14.815 2.389 -9.912 1.00 0.00 N ATOM 1784 CA TYR A 118 -13.557 2.924 -10.408 1.00 0.00 C ATOM 1785 C TYR A 118 -13.667 3.260 -11.895 1.00 0.00 C ATOM 1786 O TYR A 118 -13.258 4.333 -12.337 1.00 0.00 O ATOM 1787 CB TYR A 118 -12.443 1.903 -10.150 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.257 2.011 -11.081 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -10.449 3.140 -11.100 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -10.958 0.973 -11.954 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -9.377 3.232 -11.967 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -9.891 1.058 -12.823 1.00 0.00 C ATOM 1793 CZ TYR A 118 -9.104 2.188 -12.827 1.00 0.00 C ATOM 1794 OH TYR A 118 -8.041 2.280 -13.696 1.00 0.00 O ATOM 0 H TYR A 118 -14.735 1.465 -9.488 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.318 3.848 -9.882 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.094 2.019 -9.124 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -12.862 0.900 -10.233 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -10.661 3.958 -10.428 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.572 0.084 -11.952 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.756 4.116 -11.972 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.674 0.243 -13.497 1.00 0.00 H new ATOM 0 HH TYR A 118 -7.423 2.973 -13.384 1.00 0.00 H new ATOM 1804 N ARG A 119 -14.255 2.347 -12.653 1.00 0.00 N ATOM 1805 CA ARG A 119 -14.422 2.540 -14.085 1.00 0.00 C ATOM 1806 C ARG A 119 -15.555 3.522 -14.352 1.00 0.00 C ATOM 1807 O ARG A 119 -15.504 4.309 -15.298 1.00 0.00 O ATOM 1808 CB ARG A 119 -14.707 1.205 -14.768 1.00 0.00 C ATOM 1809 CG ARG A 119 -13.671 0.137 -14.458 1.00 0.00 C ATOM 1810 CD ARG A 119 -13.993 -1.178 -15.147 1.00 0.00 C ATOM 1811 NE ARG A 119 -15.353 -1.640 -14.862 1.00 0.00 N ATOM 1812 CZ ARG A 119 -15.652 -2.860 -14.418 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -14.690 -3.698 -14.040 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -16.924 -3.219 -14.302 1.00 0.00 N ATOM 0 H ARG A 119 -14.625 1.464 -12.300 1.00 0.00 H new ATOM 0 HA ARG A 119 -13.499 2.950 -14.494 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -15.689 0.849 -14.458 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -14.749 1.358 -15.846 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -12.687 0.482 -14.775 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -13.622 -0.020 -13.380 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -13.871 -1.060 -16.224 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -13.280 -1.937 -14.826 1.00 0.00 H new ATOM 0 HE ARG A 119 -16.121 -0.986 -15.013 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -13.713 -3.408 -14.089 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -14.929 -4.630 -13.701 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -17.664 -2.563 -14.552 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -17.162 -4.151 -13.963 1.00 0.00 H new ATOM 1828 N GLU A 120 -16.569 3.479 -13.493 1.00 0.00 N ATOM 1829 CA GLU A 120 -17.712 4.376 -13.601 1.00 0.00 C ATOM 1830 C GLU A 120 -17.279 5.829 -13.425 1.00 0.00 C ATOM 1831 O GLU A 120 -17.628 6.692 -14.232 1.00 0.00 O ATOM 1832 CB GLU A 120 -18.763 4.009 -12.551 1.00 0.00 C ATOM 1833 CG GLU A 120 -19.985 4.907 -12.569 1.00 0.00 C ATOM 1834 CD GLU A 120 -21.014 4.510 -11.534 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -20.849 4.873 -10.349 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -21.999 3.838 -11.898 1.00 0.00 O ATOM 0 H GLU A 120 -16.621 2.827 -12.710 1.00 0.00 H new ATOM 0 HA GLU A 120 -18.145 4.266 -14.595 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -19.079 2.978 -12.711 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -18.306 4.052 -11.562 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -19.677 5.937 -12.393 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -20.440 4.875 -13.559 1.00 0.00 H new ATOM 1843 N ALA A 121 -16.501 6.087 -12.377 1.00 0.00 N ATOM 1844 CA ALA A 121 -16.037 7.435 -12.080 1.00 0.00 C ATOM 1845 C ALA A 121 -15.222 7.999 -13.237 1.00 0.00 C ATOM 1846 O ALA A 121 -15.362 9.167 -13.590 1.00 0.00 O ATOM 1847 CB ALA A 121 -15.216 7.442 -10.798 1.00 0.00 C ATOM 0 H ALA A 121 -16.179 5.377 -11.719 1.00 0.00 H new ATOM 0 HA ALA A 121 -16.910 8.072 -11.940 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -14.876 8.456 -10.589 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -15.831 7.088 -9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -14.353 6.787 -10.915 1.00 0.00 H new ATOM 1853 N PHE A 122 -14.393 7.154 -13.836 1.00 0.00 N ATOM 1854 CA PHE A 122 -13.559 7.566 -14.957 1.00 0.00 C ATOM 1855 C PHE A 122 -14.424 7.963 -16.156 1.00 0.00 C ATOM 1856 O PHE A 122 -14.192 8.993 -16.785 1.00 0.00 O ATOM 1857 CB PHE A 122 -12.600 6.438 -15.343 1.00 0.00 C ATOM 1858 CG PHE A 122 -11.620 6.816 -16.417 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -10.521 7.602 -16.120 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -11.803 6.391 -17.724 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -9.619 7.958 -17.103 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -10.905 6.745 -18.713 1.00 0.00 C ATOM 1863 CZ PHE A 122 -9.811 7.530 -18.401 1.00 0.00 C ATOM 0 H PHE A 122 -14.280 6.178 -13.564 1.00 0.00 H new ATOM 0 HA PHE A 122 -12.975 8.435 -14.653 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -12.050 6.123 -14.457 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -13.181 5.579 -15.680 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.367 7.941 -15.106 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -12.656 5.777 -17.972 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -8.764 8.571 -16.856 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -11.058 6.409 -19.728 1.00 0.00 H new ATOM 0 HZ PHE A 122 -9.107 7.808 -19.172 1.00 0.00 H new