USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 677 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 55 CYS SG : rot 37:sc= -1.04 USER MOD Set 1.2: A 69 HIS : no HE2:sc= -0.313 X(o=-1.4,f=-1.6) USER MOD Set 2.1: A 29 ASN : amide:sc= -0.783 K(o=-0.15,f=-4!) USER MOD Set 2.2: A 31 TYR OH : rot 118:sc= 0.63 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0412 USER MOD Single : A 36 SER OG : rot -55:sc= 0.486 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 97:sc= 0.405 USER MOD Single : A 42 MET CE :methyl 157:sc= -2.13! (180deg=-3.81!) USER MOD Single : A 43 MET CE :methyl -141:sc= -2.44 (180deg=-3.71!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc=-0.000456 X(o=-0.00046,f=-0.069) USER MOD Single : A 54 ASN : amide:sc=-0.00361 K(o=-0.0036,f=-0.51) USER MOD Single : A 57 TYR OH : rot 165:sc= 0.0801 USER MOD Single : A 59 GLN : amide:sc= 0.301 X(o=0.3,f=-0.0083) USER MOD Single : A 67 CYS SG : rot 50:sc= -0.546 USER MOD Single : A 73 HIS :FLIP no HE2:sc= -1.28 F(o=-2.7!,f=-1.3) USER MOD Single : A 76 ASN : amide:sc= -1.59 K(o=-1.6,f=-4.3!) USER MOD Single : A 79 GLN : amide:sc= -0.837 K(o=-0.84,f=-1.7) USER MOD Single : A 82 MET CE :methyl -170:sc= 0 (180deg=-0.2) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.05 K(o=-1,f=-2.9) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -4:sc= 0.963 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 108 LYS NZ :NH3+ 144:sc= -2.62! (180deg=-7.02!) USER MOD Single : A 109 ASN :FLIP amide:sc= -1.81 F(o=-4.6!,f=-1.8) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= 0.958 K(o=0.96,f=-0.024) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 457 N ASN A 29 4.859 -14.689 3.253 1.00 0.00 N ATOM 458 CA ASN A 29 4.121 -13.435 3.153 1.00 0.00 C ATOM 459 C ASN A 29 4.174 -12.883 1.732 1.00 0.00 C ATOM 460 O ASN A 29 5.252 -12.716 1.159 1.00 0.00 O ATOM 461 CB ASN A 29 4.688 -12.406 4.133 1.00 0.00 C ATOM 462 CG ASN A 29 6.200 -12.312 4.062 1.00 0.00 C ATOM 463 OD1 ASN A 29 6.789 -12.420 2.987 1.00 0.00 O ATOM 464 ND2 ASN A 29 6.835 -12.110 5.211 1.00 0.00 N ATOM 0 HA ASN A 29 3.080 -13.635 3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.256 -11.428 3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.390 -12.672 5.147 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.852 -12.038 5.226 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.305 -12.027 6.079 1.00 0.00 H new ATOM 471 N LEU A 30 3.005 -12.602 1.168 1.00 0.00 N ATOM 472 CA LEU A 30 2.918 -12.068 -0.187 1.00 0.00 C ATOM 473 C LEU A 30 2.704 -10.558 -0.165 1.00 0.00 C ATOM 474 O LEU A 30 2.210 -10.006 0.819 1.00 0.00 O ATOM 475 CB LEU A 30 1.778 -12.745 -0.951 1.00 0.00 C ATOM 476 CG LEU A 30 2.046 -14.172 -1.431 1.00 0.00 C ATOM 477 CD1 LEU A 30 0.782 -14.787 -2.011 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.168 -14.187 -2.459 1.00 0.00 C ATOM 0 H LEU A 30 2.104 -12.735 1.628 1.00 0.00 H new ATOM 0 HA LEU A 30 3.861 -12.275 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.896 -12.758 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.534 -12.131 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 30 2.356 -14.770 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.993 -15.802 -2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.005 -14.812 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.441 -14.189 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.345 -15.211 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.886 -13.573 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.078 -13.788 -2.010 1.00 0.00 H new ATOM 490 N TYR A 31 3.076 -9.897 -1.255 1.00 0.00 N ATOM 491 CA TYR A 31 2.925 -8.451 -1.361 1.00 0.00 C ATOM 492 C TYR A 31 2.289 -8.065 -2.693 1.00 0.00 C ATOM 493 O TYR A 31 2.466 -8.751 -3.700 1.00 0.00 O ATOM 494 CB TYR A 31 4.283 -7.763 -1.213 1.00 0.00 C ATOM 495 CG TYR A 31 5.137 -8.340 -0.106 1.00 0.00 C ATOM 496 CD1 TYR A 31 4.725 -8.279 1.219 1.00 0.00 C ATOM 497 CD2 TYR A 31 6.356 -8.945 -0.386 1.00 0.00 C ATOM 498 CE1 TYR A 31 5.502 -8.805 2.234 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.138 -9.475 0.621 1.00 0.00 C ATOM 500 CZ TYR A 31 6.707 -9.402 1.930 1.00 0.00 C ATOM 501 OH TYR A 31 7.485 -9.927 2.936 1.00 0.00 O ATOM 0 H TYR A 31 3.485 -10.340 -2.078 1.00 0.00 H new ATOM 0 HA TYR A 31 2.268 -8.120 -0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.825 -7.840 -2.156 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.124 -6.702 -1.022 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.781 -7.813 1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.698 -9.002 -1.409 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.167 -8.749 3.259 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.082 -9.944 0.386 1.00 0.00 H new ATOM 0 HH TYR A 31 7.592 -10.891 2.797 1.00 0.00 H new ATOM 511 N PHE A 32 1.550 -6.961 -2.691 1.00 0.00 N ATOM 512 CA PHE A 32 0.887 -6.483 -3.898 1.00 0.00 C ATOM 513 C PHE A 32 0.661 -4.975 -3.833 1.00 0.00 C ATOM 514 O PHE A 32 0.736 -4.372 -2.763 1.00 0.00 O ATOM 515 CB PHE A 32 -0.450 -7.202 -4.091 1.00 0.00 C ATOM 516 CG PHE A 32 -0.375 -8.682 -3.845 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.236 -9.178 -2.559 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.443 -9.577 -4.900 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.167 -10.539 -2.329 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.375 -10.939 -4.677 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.236 -11.421 -3.390 1.00 0.00 C ATOM 0 H PHE A 32 1.395 -6.380 -1.867 1.00 0.00 H new ATOM 0 HA PHE A 32 1.534 -6.700 -4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.188 -6.767 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.804 -7.028 -5.107 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.181 -8.493 -1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.550 -9.206 -5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.059 -10.912 -1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.430 -11.626 -5.508 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.181 -12.485 -3.214 1.00 0.00 H new ATOM 531 N GLN A 33 0.385 -4.374 -4.986 1.00 0.00 N ATOM 532 CA GLN A 33 0.149 -2.937 -5.061 1.00 0.00 C ATOM 533 C GLN A 33 -0.958 -2.618 -6.060 1.00 0.00 C ATOM 534 O GLN A 33 -0.943 -3.097 -7.193 1.00 0.00 O ATOM 535 CB GLN A 33 1.435 -2.208 -5.456 1.00 0.00 C ATOM 536 CG GLN A 33 2.148 -2.833 -6.644 1.00 0.00 C ATOM 537 CD GLN A 33 3.400 -2.074 -7.038 1.00 0.00 C ATOM 538 OE1 GLN A 33 4.254 -1.785 -6.199 1.00 0.00 O ATOM 539 NE2 GLN A 33 3.516 -1.748 -8.320 1.00 0.00 N ATOM 0 H GLN A 33 0.319 -4.860 -5.881 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.167 -2.594 -4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.197 -1.170 -5.690 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.112 -2.195 -4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.412 -3.863 -6.404 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.467 -2.869 -7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.784 -2.008 -8.981 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.338 -1.238 -8.644 1.00 0.00 H new ATOM 548 N GLY A 34 -1.919 -1.804 -5.632 1.00 0.00 N ATOM 549 CA GLY A 34 -3.021 -1.436 -6.501 1.00 0.00 C ATOM 550 C GLY A 34 -4.138 -0.734 -5.755 1.00 0.00 C ATOM 551 O GLY A 34 -5.309 -1.082 -5.907 1.00 0.00 O ATOM 0 H GLY A 34 -1.953 -1.393 -4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.653 -0.785 -7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.416 -2.331 -6.981 1.00 0.00 H new ATOM 555 N SER A 35 -3.777 0.255 -4.944 1.00 0.00 N ATOM 556 CA SER A 35 -4.758 1.003 -4.166 1.00 0.00 C ATOM 557 C SER A 35 -5.639 1.853 -5.077 1.00 0.00 C ATOM 558 O SER A 35 -5.233 2.230 -6.176 1.00 0.00 O ATOM 559 CB SER A 35 -4.054 1.895 -3.142 1.00 0.00 C ATOM 560 OG SER A 35 -4.962 2.811 -2.555 1.00 0.00 O ATOM 0 H SER A 35 -2.812 0.557 -4.808 1.00 0.00 H new ATOM 0 HA SER A 35 -5.391 0.288 -3.641 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.603 1.277 -2.366 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.244 2.441 -3.626 1.00 0.00 H new ATOM 0 HG SER A 35 -4.488 3.369 -1.903 1.00 0.00 H new ATOM 566 N SER A 36 -6.848 2.150 -4.611 1.00 0.00 N ATOM 567 CA SER A 36 -7.789 2.952 -5.384 1.00 0.00 C ATOM 568 C SER A 36 -7.850 4.381 -4.853 1.00 0.00 C ATOM 569 O SER A 36 -8.919 4.987 -4.790 1.00 0.00 O ATOM 570 CB SER A 36 -9.182 2.321 -5.344 1.00 0.00 C ATOM 571 OG SER A 36 -10.064 2.975 -6.239 1.00 0.00 O ATOM 0 H SER A 36 -7.199 1.847 -3.702 1.00 0.00 H new ATOM 0 HA SER A 36 -7.441 2.982 -6.416 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.114 1.264 -5.603 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.580 2.376 -4.331 1.00 0.00 H new ATOM 0 HG SER A 36 -10.081 3.934 -6.039 1.00 0.00 H new ATOM 577 N GLY A 37 -6.693 4.913 -4.470 1.00 0.00 N ATOM 578 CA GLY A 37 -6.636 6.266 -3.949 1.00 0.00 C ATOM 579 C GLY A 37 -5.894 6.348 -2.629 1.00 0.00 C ATOM 580 O GLY A 37 -4.667 6.440 -2.604 1.00 0.00 O ATOM 0 H GLY A 37 -5.795 4.431 -4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.147 6.912 -4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.650 6.644 -3.817 1.00 0.00 H new ATOM 584 N SER A 38 -6.640 6.316 -1.530 1.00 0.00 N ATOM 585 CA SER A 38 -6.046 6.392 -0.200 1.00 0.00 C ATOM 586 C SER A 38 -6.007 5.016 0.457 1.00 0.00 C ATOM 587 O SER A 38 -6.670 4.082 0.008 1.00 0.00 O ATOM 588 CB SER A 38 -6.833 7.367 0.678 1.00 0.00 C ATOM 589 OG SER A 38 -6.615 8.708 0.273 1.00 0.00 O ATOM 0 H SER A 38 -7.657 6.238 -1.534 1.00 0.00 H new ATOM 0 HA SER A 38 -5.023 6.754 -0.306 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.897 7.135 0.621 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.535 7.245 1.719 1.00 0.00 H new ATOM 0 HG SER A 38 -7.130 9.311 0.848 1.00 0.00 H new ATOM 595 N SER A 39 -5.223 4.900 1.525 1.00 0.00 N ATOM 596 CA SER A 39 -5.093 3.638 2.244 1.00 0.00 C ATOM 597 C SER A 39 -6.452 3.151 2.738 1.00 0.00 C ATOM 598 O SER A 39 -6.665 1.954 2.927 1.00 0.00 O ATOM 599 CB SER A 39 -4.135 3.796 3.426 1.00 0.00 C ATOM 600 OG SER A 39 -4.574 4.817 4.305 1.00 0.00 O ATOM 0 H SER A 39 -4.669 5.664 1.911 1.00 0.00 H new ATOM 0 HA SER A 39 -4.689 2.896 1.555 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.061 2.853 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.136 4.032 3.059 1.00 0.00 H new ATOM 0 HG SER A 39 -5.078 4.418 5.045 1.00 0.00 H new ATOM 606 N GLY A 40 -7.371 4.090 2.945 1.00 0.00 N ATOM 607 CA GLY A 40 -8.698 3.739 3.415 1.00 0.00 C ATOM 608 C GLY A 40 -9.457 2.882 2.421 1.00 0.00 C ATOM 609 O GLY A 40 -9.838 1.752 2.728 1.00 0.00 O ATOM 0 H GLY A 40 -7.220 5.088 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.615 3.205 4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.264 4.650 3.611 1.00 0.00 H new ATOM 613 N ASP A 41 -9.680 3.421 1.227 1.00 0.00 N ATOM 614 CA ASP A 41 -10.400 2.698 0.185 1.00 0.00 C ATOM 615 C ASP A 41 -10.072 1.209 0.230 1.00 0.00 C ATOM 616 O ASP A 41 -10.968 0.366 0.216 1.00 0.00 O ATOM 617 CB ASP A 41 -10.054 3.268 -1.192 1.00 0.00 C ATOM 618 CG ASP A 41 -10.298 4.761 -1.279 1.00 0.00 C ATOM 619 OD1 ASP A 41 -10.182 5.443 -0.239 1.00 0.00 O ATOM 620 OD2 ASP A 41 -10.603 5.249 -2.387 1.00 0.00 O ATOM 0 H ASP A 41 -9.373 4.355 0.957 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.468 2.821 0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.008 3.060 -1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.649 2.761 -1.952 1.00 0.00 H new ATOM 625 N MET A 42 -8.782 0.894 0.283 1.00 0.00 N ATOM 626 CA MET A 42 -8.336 -0.494 0.330 1.00 0.00 C ATOM 627 C MET A 42 -9.269 -1.336 1.195 1.00 0.00 C ATOM 628 O MET A 42 -9.908 -2.268 0.708 1.00 0.00 O ATOM 629 CB MET A 42 -6.908 -0.575 0.873 1.00 0.00 C ATOM 630 CG MET A 42 -5.849 -0.169 -0.139 1.00 0.00 C ATOM 631 SD MET A 42 -5.257 -1.561 -1.121 1.00 0.00 S ATOM 632 CE MET A 42 -6.709 -1.922 -2.106 1.00 0.00 C ATOM 0 H MET A 42 -8.028 1.580 0.294 1.00 0.00 H new ATOM 0 HA MET A 42 -8.354 -0.890 -0.685 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.825 0.066 1.751 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.711 -1.595 1.203 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.260 0.591 -0.804 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.008 0.286 0.384 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.412 -2.448 -3.013 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.392 -2.548 -1.531 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.208 -0.991 -2.374 1.00 0.00 H new ATOM 642 N MET A 43 -9.342 -1.001 2.479 1.00 0.00 N ATOM 643 CA MET A 43 -10.199 -1.726 3.410 1.00 0.00 C ATOM 644 C MET A 43 -11.513 -2.121 2.744 1.00 0.00 C ATOM 645 O MET A 43 -12.033 -3.213 2.975 1.00 0.00 O ATOM 646 CB MET A 43 -10.478 -0.874 4.649 1.00 0.00 C ATOM 647 CG MET A 43 -9.219 -0.420 5.370 1.00 0.00 C ATOM 648 SD MET A 43 -8.339 -1.782 6.158 1.00 0.00 S ATOM 649 CE MET A 43 -9.354 -2.046 7.610 1.00 0.00 C ATOM 0 H MET A 43 -8.818 -0.233 2.898 1.00 0.00 H new ATOM 0 HA MET A 43 -9.678 -2.634 3.713 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.055 0.003 4.355 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.097 -1.445 5.341 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.556 0.073 4.659 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.484 0.321 6.124 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.715 -2.268 8.465 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.936 -1.148 7.815 1.00 0.00 H new ATOM 0 HE3 MET A 43 -10.029 -2.884 7.435 1.00 0.00 H new ATOM 659 N ARG A 44 -12.045 -1.227 1.918 1.00 0.00 N ATOM 660 CA ARG A 44 -13.300 -1.483 1.220 1.00 0.00 C ATOM 661 C ARG A 44 -13.056 -2.259 -0.071 1.00 0.00 C ATOM 662 O ARG A 44 -13.546 -3.375 -0.237 1.00 0.00 O ATOM 663 CB ARG A 44 -14.012 -0.165 0.909 1.00 0.00 C ATOM 664 CG ARG A 44 -14.600 0.514 2.135 1.00 0.00 C ATOM 665 CD ARG A 44 -14.556 2.028 2.008 1.00 0.00 C ATOM 666 NE ARG A 44 -15.696 2.549 1.259 1.00 0.00 N ATOM 667 CZ ARG A 44 -15.959 3.844 1.127 1.00 0.00 C ATOM 668 NH1 ARG A 44 -15.166 4.746 1.690 1.00 0.00 N ATOM 669 NH2 ARG A 44 -17.017 4.240 0.430 1.00 0.00 N ATOM 0 H ARG A 44 -11.627 -0.319 1.715 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.933 -2.086 1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.307 0.515 0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.810 -0.354 0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.631 0.189 2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.048 0.206 3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.541 2.475 3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.631 2.323 1.512 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.325 1.882 0.813 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.352 4.446 2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.370 5.740 1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.629 3.549 -0.005 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.218 5.235 0.329 1.00 0.00 H new ATOM 683 N GLU A 45 -12.295 -1.659 -0.981 1.00 0.00 N ATOM 684 CA GLU A 45 -11.988 -2.294 -2.257 1.00 0.00 C ATOM 685 C GLU A 45 -11.684 -3.778 -2.068 1.00 0.00 C ATOM 686 O GLU A 45 -11.975 -4.598 -2.939 1.00 0.00 O ATOM 687 CB GLU A 45 -10.798 -1.600 -2.924 1.00 0.00 C ATOM 688 CG GLU A 45 -10.822 -1.677 -4.442 1.00 0.00 C ATOM 689 CD GLU A 45 -11.739 -0.642 -5.064 1.00 0.00 C ATOM 690 OE1 GLU A 45 -12.913 -0.564 -4.647 1.00 0.00 O ATOM 691 OE2 GLU A 45 -11.282 0.089 -5.967 1.00 0.00 O ATOM 0 H GLU A 45 -11.880 -0.735 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.863 -2.199 -2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.783 -0.553 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.875 -2.050 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.811 -1.538 -4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.145 -2.673 -4.747 1.00 0.00 H new ATOM 698 N ILE A 46 -11.097 -4.114 -0.924 1.00 0.00 N ATOM 699 CA ILE A 46 -10.754 -5.497 -0.619 1.00 0.00 C ATOM 700 C ILE A 46 -12.008 -6.347 -0.441 1.00 0.00 C ATOM 701 O ILE A 46 -12.241 -7.293 -1.193 1.00 0.00 O ATOM 702 CB ILE A 46 -9.894 -5.597 0.654 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.607 -4.787 0.491 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.575 -7.052 0.965 1.00 0.00 C ATOM 705 CD1 ILE A 46 -8.073 -4.231 1.793 1.00 0.00 C ATOM 0 H ILE A 46 -10.849 -3.447 -0.193 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.179 -5.874 -1.465 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.458 -5.183 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.845 -5.419 0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.791 -3.963 -0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.966 -7.106 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.503 -7.603 1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.027 -7.491 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.159 -3.668 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.818 -3.572 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.857 -5.051 2.477 1.00 0.00 H new ATOM 717 N ARG A 47 -12.812 -6.003 0.560 1.00 0.00 N ATOM 718 CA ARG A 47 -14.042 -6.734 0.837 1.00 0.00 C ATOM 719 C ARG A 47 -14.791 -7.048 -0.455 1.00 0.00 C ATOM 720 O ARG A 47 -15.458 -8.078 -0.564 1.00 0.00 O ATOM 721 CB ARG A 47 -14.940 -5.926 1.776 1.00 0.00 C ATOM 722 CG ARG A 47 -14.516 -5.995 3.234 1.00 0.00 C ATOM 723 CD ARG A 47 -15.128 -4.865 4.046 1.00 0.00 C ATOM 724 NE ARG A 47 -16.584 -4.960 4.107 1.00 0.00 N ATOM 725 CZ ARG A 47 -17.378 -3.926 4.362 1.00 0.00 C ATOM 726 NH1 ARG A 47 -16.859 -2.725 4.578 1.00 0.00 N ATOM 727 NH2 ARG A 47 -18.694 -4.092 4.400 1.00 0.00 N ATOM 0 H ARG A 47 -12.633 -5.223 1.192 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.775 -7.674 1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.942 -4.884 1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.964 -6.289 1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.818 -6.953 3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.429 -5.945 3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.721 -4.884 5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.845 -3.909 3.606 1.00 0.00 H new ATOM 0 HE ARG A 47 -17.015 -5.870 3.945 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.848 -2.594 4.549 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.471 -1.933 4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -19.097 -5.014 4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -19.303 -3.297 4.596 1.00 0.00 H new ATOM 741 N LYS A 48 -14.677 -6.154 -1.431 1.00 0.00 N ATOM 742 CA LYS A 48 -15.341 -6.335 -2.716 1.00 0.00 C ATOM 743 C LYS A 48 -15.055 -7.720 -3.287 1.00 0.00 C ATOM 744 O LYS A 48 -15.947 -8.381 -3.818 1.00 0.00 O ATOM 745 CB LYS A 48 -14.885 -5.260 -3.705 1.00 0.00 C ATOM 746 CG LYS A 48 -15.670 -5.257 -5.006 1.00 0.00 C ATOM 747 CD LYS A 48 -15.185 -4.168 -5.947 1.00 0.00 C ATOM 748 CE LYS A 48 -13.905 -4.576 -6.661 1.00 0.00 C ATOM 749 NZ LYS A 48 -13.410 -3.505 -7.568 1.00 0.00 N ATOM 0 H LYS A 48 -14.130 -5.296 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.415 -6.242 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.977 -4.282 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.829 -5.408 -3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.575 -6.228 -5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.729 -5.110 -4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.959 -3.950 -6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.012 -3.250 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.137 -4.811 -5.924 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.084 -5.485 -7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.537 -3.822 -8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.132 -3.298 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.215 -2.645 -7.016 1.00 0.00 H new ATOM 763 N VAL A 49 -13.804 -8.155 -3.173 1.00 0.00 N ATOM 764 CA VAL A 49 -13.400 -9.463 -3.675 1.00 0.00 C ATOM 765 C VAL A 49 -13.789 -10.570 -2.701 1.00 0.00 C ATOM 766 O VAL A 49 -14.215 -11.651 -3.111 1.00 0.00 O ATOM 767 CB VAL A 49 -11.882 -9.524 -3.925 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.542 -10.658 -4.880 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.376 -8.194 -4.463 1.00 0.00 C ATOM 0 H VAL A 49 -13.053 -7.620 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.922 -9.614 -4.620 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.384 -9.719 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.465 -10.685 -5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.867 -11.605 -4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.050 -10.498 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.301 -8.256 -4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.880 -7.966 -5.402 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.584 -7.406 -3.739 1.00 0.00 H new ATOM 779 N LEU A 50 -13.641 -10.293 -1.411 1.00 0.00 N ATOM 780 CA LEU A 50 -13.977 -11.266 -0.376 1.00 0.00 C ATOM 781 C LEU A 50 -15.438 -11.690 -0.483 1.00 0.00 C ATOM 782 O LEU A 50 -15.741 -12.868 -0.672 1.00 0.00 O ATOM 783 CB LEU A 50 -13.704 -10.680 1.010 1.00 0.00 C ATOM 784 CG LEU A 50 -12.305 -10.104 1.232 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.245 -9.338 2.545 1.00 0.00 C ATOM 786 CD2 LEU A 50 -11.263 -11.213 1.211 1.00 0.00 C ATOM 0 H LEU A 50 -13.291 -9.403 -1.056 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.351 -12.146 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.433 -9.893 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.876 -11.459 1.752 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.085 -9.410 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.242 -8.935 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.965 -8.520 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.486 -10.009 3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.273 -10.785 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.480 -11.931 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.289 -11.718 0.245 1.00 0.00 H new ATOM 798 N GLY A 51 -16.341 -10.722 -0.362 1.00 0.00 N ATOM 799 CA GLY A 51 -17.760 -11.015 -0.449 1.00 0.00 C ATOM 800 C GLY A 51 -18.152 -11.583 -1.799 1.00 0.00 C ATOM 801 O GLY A 51 -19.277 -12.047 -1.981 1.00 0.00 O ATOM 0 H GLY A 51 -16.115 -9.740 -0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.030 -11.725 0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.328 -10.104 -0.263 1.00 0.00 H new ATOM 805 N ALA A 52 -17.223 -11.546 -2.748 1.00 0.00 N ATOM 806 CA ALA A 52 -17.477 -12.061 -4.088 1.00 0.00 C ATOM 807 C ALA A 52 -17.064 -13.525 -4.200 1.00 0.00 C ATOM 808 O ALA A 52 -17.677 -14.297 -4.935 1.00 0.00 O ATOM 809 CB ALA A 52 -16.744 -11.222 -5.124 1.00 0.00 C ATOM 0 H ALA A 52 -16.287 -11.164 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.548 -11.997 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.943 -11.618 -6.120 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.091 -10.190 -5.068 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.672 -11.256 -4.927 1.00 0.00 H new ATOM 815 N ASN A 53 -16.020 -13.898 -3.468 1.00 0.00 N ATOM 816 CA ASN A 53 -15.524 -15.270 -3.487 1.00 0.00 C ATOM 817 C ASN A 53 -16.065 -16.060 -2.299 1.00 0.00 C ATOM 818 O ASN A 53 -15.516 -17.097 -1.929 1.00 0.00 O ATOM 819 CB ASN A 53 -13.995 -15.281 -3.468 1.00 0.00 C ATOM 820 CG ASN A 53 -13.399 -15.195 -4.860 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.750 -16.130 -5.329 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.617 -14.067 -5.528 1.00 0.00 N ATOM 0 H ASN A 53 -15.501 -13.270 -2.854 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.872 -15.744 -4.405 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.636 -14.444 -2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.647 -16.193 -2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.240 -13.950 -6.469 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.161 -13.318 -5.100 1.00 0.00 H new ATOM 829 N ASN A 54 -17.145 -15.562 -1.706 1.00 0.00 N ATOM 830 CA ASN A 54 -17.760 -16.222 -0.559 1.00 0.00 C ATOM 831 C ASN A 54 -16.786 -16.295 0.613 1.00 0.00 C ATOM 832 O ASN A 54 -16.805 -17.251 1.389 1.00 0.00 O ATOM 833 CB ASN A 54 -18.222 -17.629 -0.942 1.00 0.00 C ATOM 834 CG ASN A 54 -19.430 -17.611 -1.860 1.00 0.00 C ATOM 835 OD1 ASN A 54 -20.368 -16.841 -1.654 1.00 0.00 O ATOM 836 ND2 ASN A 54 -19.411 -18.462 -2.879 1.00 0.00 N ATOM 0 H ASN A 54 -17.612 -14.704 -2.000 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.625 -15.634 -0.253 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -17.404 -18.156 -1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -18.464 -18.188 -0.038 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -20.196 -18.496 -3.530 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -18.612 -19.082 -3.011 1.00 0.00 H new ATOM 843 N CYS A 55 -15.937 -15.281 0.734 1.00 0.00 N ATOM 844 CA CYS A 55 -14.955 -15.230 1.812 1.00 0.00 C ATOM 845 C CYS A 55 -15.467 -14.387 2.975 1.00 0.00 C ATOM 846 O CYS A 55 -16.285 -13.486 2.789 1.00 0.00 O ATOM 847 CB CYS A 55 -13.632 -14.661 1.297 1.00 0.00 C ATOM 848 SG CYS A 55 -12.803 -15.707 0.077 1.00 0.00 S ATOM 0 H CYS A 55 -15.908 -14.483 0.099 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.791 -16.247 2.169 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.818 -13.682 0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.962 -14.506 2.143 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.691 -16.258 -0.696 1.00 0.00 H new ATOM 854 N ASP A 56 -14.982 -14.687 4.175 1.00 0.00 N ATOM 855 CA ASP A 56 -15.390 -13.958 5.369 1.00 0.00 C ATOM 856 C ASP A 56 -14.254 -13.082 5.887 1.00 0.00 C ATOM 857 O ASP A 56 -13.094 -13.496 5.900 1.00 0.00 O ATOM 858 CB ASP A 56 -15.838 -14.932 6.460 1.00 0.00 C ATOM 859 CG ASP A 56 -16.866 -15.928 5.961 1.00 0.00 C ATOM 860 OD1 ASP A 56 -17.947 -15.490 5.513 1.00 0.00 O ATOM 861 OD2 ASP A 56 -16.590 -17.144 6.017 1.00 0.00 O ATOM 0 H ASP A 56 -14.305 -15.431 4.346 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.228 -13.314 5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.970 -15.470 6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.256 -14.370 7.295 1.00 0.00 H new ATOM 866 N TYR A 57 -14.593 -11.870 6.312 1.00 0.00 N ATOM 867 CA TYR A 57 -13.601 -10.935 6.827 1.00 0.00 C ATOM 868 C TYR A 57 -14.036 -10.366 8.174 1.00 0.00 C ATOM 869 O TYR A 57 -15.195 -9.995 8.358 1.00 0.00 O ATOM 870 CB TYR A 57 -13.375 -9.798 5.830 1.00 0.00 C ATOM 871 CG TYR A 57 -14.654 -9.240 5.247 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.256 -9.835 4.146 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.260 -8.118 5.799 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.424 -9.328 3.610 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.429 -7.605 5.271 1.00 0.00 C ATOM 876 CZ TYR A 57 -17.007 -8.213 4.176 1.00 0.00 C ATOM 877 OH TYR A 57 -18.171 -7.706 3.646 1.00 0.00 O ATOM 0 H TYR A 57 -15.548 -11.512 6.310 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.666 -11.478 6.967 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.831 -8.994 6.326 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.743 -10.158 5.019 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.803 -10.709 3.701 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.809 -7.639 6.656 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.878 -9.802 2.752 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.888 -6.733 5.713 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.578 -7.084 4.285 1.00 0.00 H new ATOM 887 N GLU A 58 -13.097 -10.300 9.113 1.00 0.00 N ATOM 888 CA GLU A 58 -13.384 -9.776 10.443 1.00 0.00 C ATOM 889 C GLU A 58 -12.415 -8.655 10.807 1.00 0.00 C ATOM 890 O GLU A 58 -11.254 -8.905 11.132 1.00 0.00 O ATOM 891 CB GLU A 58 -13.300 -10.894 11.485 1.00 0.00 C ATOM 892 CG GLU A 58 -13.725 -10.461 12.878 1.00 0.00 C ATOM 893 CD GLU A 58 -15.229 -10.497 13.067 1.00 0.00 C ATOM 894 OE1 GLU A 58 -15.915 -9.594 12.543 1.00 0.00 O ATOM 895 OE2 GLU A 58 -15.720 -11.428 13.739 1.00 0.00 O ATOM 0 H GLU A 58 -12.132 -10.602 8.977 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.396 -9.371 10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.928 -11.725 11.165 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.276 -11.265 11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.254 -11.111 13.616 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.363 -9.450 13.066 1.00 0.00 H new ATOM 902 N GLN A 59 -12.900 -7.419 10.748 1.00 0.00 N ATOM 903 CA GLN A 59 -12.077 -6.259 11.069 1.00 0.00 C ATOM 904 C GLN A 59 -11.670 -6.271 12.539 1.00 0.00 C ATOM 905 O GLN A 59 -12.513 -6.148 13.428 1.00 0.00 O ATOM 906 CB GLN A 59 -12.830 -4.967 10.747 1.00 0.00 C ATOM 907 CG GLN A 59 -11.920 -3.814 10.356 1.00 0.00 C ATOM 908 CD GLN A 59 -12.514 -2.461 10.696 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.357 -1.939 9.966 1.00 0.00 O ATOM 910 NE2 GLN A 59 -12.077 -1.886 11.810 1.00 0.00 N ATOM 0 H GLN A 59 -13.859 -7.195 10.481 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.174 -6.306 10.460 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.531 -5.158 9.934 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.421 -4.675 11.615 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.962 -3.924 10.864 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.721 -3.860 9.285 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.377 -2.355 12.385 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.441 -0.975 12.091 1.00 0.00 H new ATOM 919 N ARG A 60 -10.373 -6.420 12.787 1.00 0.00 N ATOM 920 CA ARG A 60 -9.854 -6.450 14.150 1.00 0.00 C ATOM 921 C ARG A 60 -9.435 -5.054 14.602 1.00 0.00 C ATOM 922 O ARG A 60 -9.807 -4.606 15.686 1.00 0.00 O ATOM 923 CB ARG A 60 -8.665 -7.407 14.245 1.00 0.00 C ATOM 924 CG ARG A 60 -9.044 -8.869 14.070 1.00 0.00 C ATOM 925 CD ARG A 60 -9.679 -9.434 15.331 1.00 0.00 C ATOM 926 NE ARG A 60 -10.068 -10.832 15.169 1.00 0.00 N ATOM 927 CZ ARG A 60 -10.276 -11.660 16.187 1.00 0.00 C ATOM 928 NH1 ARG A 60 -10.134 -11.232 17.434 1.00 0.00 N ATOM 929 NH2 ARG A 60 -10.629 -12.918 15.958 1.00 0.00 N ATOM 0 H ARG A 60 -9.662 -6.522 12.063 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.649 -6.803 14.807 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.931 -7.137 13.486 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.183 -7.279 15.214 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.738 -8.969 13.236 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.156 -9.449 13.817 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.977 -9.347 16.160 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.556 -8.842 15.592 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.187 -11.193 14.222 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.864 -10.265 17.614 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.294 -11.870 18.214 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.741 -13.250 15.000 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.789 -13.553 16.740 1.00 0.00 H new ATOM 943 N GLU A 61 -8.659 -4.374 13.765 1.00 0.00 N ATOM 944 CA GLU A 61 -8.189 -3.030 14.080 1.00 0.00 C ATOM 945 C GLU A 61 -8.625 -2.036 13.008 1.00 0.00 C ATOM 946 O GLU A 61 -9.363 -2.384 12.087 1.00 0.00 O ATOM 947 CB GLU A 61 -6.665 -3.018 14.214 1.00 0.00 C ATOM 948 CG GLU A 61 -6.151 -3.810 15.404 1.00 0.00 C ATOM 949 CD GLU A 61 -6.313 -3.065 16.715 1.00 0.00 C ATOM 950 OE1 GLU A 61 -5.525 -2.130 16.967 1.00 0.00 O ATOM 951 OE2 GLU A 61 -7.229 -3.418 17.487 1.00 0.00 O ATOM 0 H GLU A 61 -8.342 -4.731 12.864 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.632 -2.730 15.030 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.226 -3.423 13.302 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.325 -1.986 14.301 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.684 -4.759 15.462 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.098 -4.045 15.252 1.00 0.00 H new ATOM 958 N ARG A 62 -8.164 -0.796 13.137 1.00 0.00 N ATOM 959 CA ARG A 62 -8.507 0.250 12.182 1.00 0.00 C ATOM 960 C ARG A 62 -8.122 -0.161 10.764 1.00 0.00 C ATOM 961 O ARG A 62 -8.975 -0.257 9.881 1.00 0.00 O ATOM 962 CB ARG A 62 -7.808 1.559 12.553 1.00 0.00 C ATOM 963 CG ARG A 62 -7.883 2.619 11.466 1.00 0.00 C ATOM 964 CD ARG A 62 -7.843 4.022 12.052 1.00 0.00 C ATOM 965 NE ARG A 62 -9.150 4.445 12.548 1.00 0.00 N ATOM 966 CZ ARG A 62 -10.136 4.860 11.760 1.00 0.00 C ATOM 967 NH1 ARG A 62 -9.963 4.907 10.446 1.00 0.00 N ATOM 968 NH2 ARG A 62 -11.297 5.229 12.285 1.00 0.00 N ATOM 0 H ARG A 62 -7.552 -0.492 13.894 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.586 0.400 12.218 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.255 1.954 13.465 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.761 1.352 12.775 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.052 2.490 10.772 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.801 2.489 10.892 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.119 4.055 12.866 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.500 4.723 11.291 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.315 4.420 13.554 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.072 4.624 10.039 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.721 5.226 9.843 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.434 5.194 13.295 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.053 5.547 11.678 1.00 0.00 H new ATOM 982 N PHE A 63 -6.832 -0.402 10.553 1.00 0.00 N ATOM 983 CA PHE A 63 -6.334 -0.801 9.242 1.00 0.00 C ATOM 984 C PHE A 63 -5.946 -2.277 9.234 1.00 0.00 C ATOM 985 O PHE A 63 -4.868 -2.645 8.767 1.00 0.00 O ATOM 986 CB PHE A 63 -5.129 0.056 8.849 1.00 0.00 C ATOM 987 CG PHE A 63 -5.506 1.385 8.259 1.00 0.00 C ATOM 988 CD1 PHE A 63 -5.978 1.472 6.959 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.388 2.547 9.004 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.325 2.694 6.414 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.734 3.771 8.465 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.204 3.845 7.168 1.00 0.00 C ATOM 0 H PHE A 63 -6.113 -0.328 11.273 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.132 -0.649 8.516 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.508 0.221 9.729 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.522 -0.493 8.129 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.076 0.575 6.365 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.021 2.495 10.018 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.691 2.749 5.399 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.637 4.669 9.057 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.476 4.801 6.745 1.00 0.00 H new ATOM 1002 N LEU A 64 -6.833 -3.118 9.755 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.585 -4.555 9.809 1.00 0.00 C ATOM 1004 C LEU A 64 -7.872 -5.339 9.574 1.00 0.00 C ATOM 1005 O LEU A 64 -8.945 -4.945 10.034 1.00 0.00 O ATOM 1006 CB LEU A 64 -5.982 -4.938 11.162 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.380 -6.340 11.255 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -4.083 -6.418 10.465 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.145 -6.724 12.709 1.00 0.00 C ATOM 0 H LEU A 64 -7.730 -2.830 10.146 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.878 -4.806 9.018 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.206 -4.214 11.409 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.758 -4.846 11.922 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.087 -7.048 10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.669 -7.423 10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.280 -6.187 9.418 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.369 -5.700 10.867 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.716 -7.725 12.756 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.457 -6.013 13.167 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.093 -6.710 13.247 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.759 -6.451 8.856 1.00 0.00 N ATOM 1022 CA LEU A 65 -8.913 -7.292 8.561 1.00 0.00 C ATOM 1023 C LEU A 65 -8.514 -8.763 8.502 1.00 0.00 C ATOM 1024 O LEU A 65 -7.525 -9.124 7.863 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.551 -6.871 7.236 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.586 -5.749 7.315 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.595 -4.939 6.028 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.968 -6.318 7.600 1.00 0.00 C ATOM 0 H LEU A 65 -6.879 -6.791 8.467 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.639 -7.164 9.363 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.758 -6.559 6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.026 -7.745 6.791 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.312 -5.085 8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.338 -4.145 6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.610 -4.500 5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.843 -5.590 5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.692 -5.505 7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.251 -7.004 6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.953 -6.853 8.550 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.290 -9.609 9.171 1.00 0.00 N ATOM 1041 CA PHE A 66 -9.019 -11.041 9.194 1.00 0.00 C ATOM 1042 C PHE A 66 -9.724 -11.747 8.039 1.00 0.00 C ATOM 1043 O PHE A 66 -10.891 -12.125 8.148 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.467 -11.646 10.526 1.00 0.00 C ATOM 1045 CG PHE A 66 -9.030 -13.071 10.715 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -7.735 -13.366 11.108 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -9.915 -14.115 10.500 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -7.331 -14.676 11.282 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -9.517 -15.427 10.672 1.00 0.00 C ATOM 1050 CZ PHE A 66 -8.223 -15.708 11.065 1.00 0.00 C ATOM 0 H PHE A 66 -10.112 -9.327 9.705 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.944 -11.183 9.082 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.071 -11.042 11.342 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.554 -11.596 10.591 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.033 -12.563 11.280 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.928 -13.901 10.194 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.318 -14.893 11.588 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -10.217 -16.231 10.499 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.909 -16.732 11.202 1.00 0.00 H new ATOM 1060 N CYS A 67 -9.007 -11.921 6.934 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.564 -12.580 5.758 1.00 0.00 C ATOM 1062 C CYS A 67 -9.458 -14.096 5.883 1.00 0.00 C ATOM 1063 O CYS A 67 -8.446 -14.622 6.345 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.842 -12.109 4.494 1.00 0.00 C ATOM 1065 SG CYS A 67 -9.067 -10.353 4.127 1.00 0.00 S ATOM 0 H CYS A 67 -8.040 -11.615 6.828 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.618 -12.312 5.687 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.777 -12.314 4.599 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.197 -12.695 3.646 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.813 -9.651 5.192 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.512 -14.793 5.470 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.538 -16.250 5.536 1.00 0.00 C ATOM 1073 C VAL A 68 -11.430 -16.833 4.446 1.00 0.00 C ATOM 1074 O VAL A 68 -12.585 -16.434 4.294 1.00 0.00 O ATOM 1075 CB VAL A 68 -11.036 -16.740 6.909 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.496 -16.362 7.114 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -10.843 -18.243 7.040 1.00 0.00 C ATOM 0 H VAL A 68 -11.359 -14.373 5.086 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.514 -16.593 5.385 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.447 -16.252 7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.830 -16.716 8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.601 -15.278 7.066 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.104 -16.820 6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.200 -18.572 8.016 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.406 -18.752 6.257 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.785 -18.484 6.941 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.887 -17.782 3.690 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.634 -18.422 2.613 1.00 0.00 C ATOM 1089 C HIS A 69 -11.959 -19.871 2.965 1.00 0.00 C ATOM 1090 O HIS A 69 -11.081 -20.732 2.965 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.837 -18.368 1.309 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.378 -19.266 0.239 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -10.953 -20.566 0.062 1.00 0.00 N ATOM 1094 CD2 HIS A 69 -12.316 -19.046 -0.711 1.00 0.00 C ATOM 1095 CE1 HIS A 69 -11.605 -21.106 -0.952 1.00 0.00 C ATOM 1096 NE2 HIS A 69 -12.439 -20.204 -1.438 1.00 0.00 N ATOM 0 H HIS A 69 -9.933 -18.125 3.803 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.570 -17.880 2.480 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.828 -17.342 0.941 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.802 -18.643 1.514 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -10.246 -21.037 0.626 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -12.866 -18.130 -0.868 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -11.478 -22.113 -1.321 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.228 -20.132 3.264 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.646 -21.477 3.614 1.00 0.00 C ATOM 1107 C GLY A 70 -14.942 -21.876 2.936 1.00 0.00 C ATOM 1108 O GLY A 70 -15.794 -21.030 2.665 1.00 0.00 O ATOM 0 H GLY A 70 -13.974 -19.436 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.862 -22.182 3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.769 -21.546 4.695 1.00 0.00 H new ATOM 1112 N ASP A 71 -15.090 -23.167 2.661 1.00 0.00 N ATOM 1113 CA ASP A 71 -16.291 -23.677 2.010 1.00 0.00 C ATOM 1114 C ASP A 71 -16.935 -24.780 2.844 1.00 0.00 C ATOM 1115 O ASP A 71 -18.139 -24.760 3.096 1.00 0.00 O ATOM 1116 CB ASP A 71 -15.955 -24.205 0.614 1.00 0.00 C ATOM 1117 CG ASP A 71 -16.929 -25.269 0.148 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -16.699 -26.458 0.453 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -17.921 -24.914 -0.522 1.00 0.00 O ATOM 0 H ASP A 71 -14.393 -23.880 2.879 1.00 0.00 H new ATOM 0 HA ASP A 71 -17.001 -22.855 1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.959 -23.377 -0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.946 -24.617 0.618 1.00 0.00 H new ATOM 1124 N GLY A 72 -16.123 -25.744 3.268 1.00 0.00 N ATOM 1125 CA GLY A 72 -16.632 -26.843 4.068 1.00 0.00 C ATOM 1126 C GLY A 72 -15.588 -27.915 4.310 1.00 0.00 C ATOM 1127 O GLY A 72 -15.919 -29.092 4.459 1.00 0.00 O ATOM 0 H GLY A 72 -15.123 -25.783 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.983 -26.459 5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -17.493 -27.285 3.567 1.00 0.00 H new ATOM 1131 N HIS A 73 -14.323 -27.510 4.348 1.00 0.00 N ATOM 1132 CA HIS A 73 -13.226 -28.445 4.572 1.00 0.00 C ATOM 1133 C HIS A 73 -11.994 -27.721 5.106 1.00 0.00 C ATOM 1134 O HIS A 73 -11.918 -26.493 5.065 1.00 0.00 O ATOM 1135 CB HIS A 73 -12.880 -29.178 3.276 1.00 0.00 C ATOM 1136 CG HIS A 73 -13.625 -30.465 3.098 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -14.897 -30.704 2.699 1.00 0.00 N flip ATOM 1138 CD2 HIS A 73 -13.063 -31.701 3.341 1.00 0.00 C flip ATOM 1139 CE1 HIS A 73 -15.077 -32.065 2.708 1.00 0.00 C flip ATOM 1140 NE2 HIS A 73 -13.956 -32.644 3.098 1.00 0.00 N flip ATOM 0 H HIS A 73 -14.032 -26.540 4.227 1.00 0.00 H new ATOM 0 HA HIS A 73 -13.548 -29.172 5.317 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.094 -28.524 2.430 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -11.809 -29.382 3.259 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -15.592 -30.003 2.440 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -12.051 -31.871 3.677 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -15.988 -32.579 2.440 1.00 0.00 H new ATOM 1149 N ALA A 74 -11.032 -28.489 5.606 1.00 0.00 N ATOM 1150 CA ALA A 74 -9.804 -27.920 6.146 1.00 0.00 C ATOM 1151 C ALA A 74 -8.698 -27.903 5.095 1.00 0.00 C ATOM 1152 O ALA A 74 -7.574 -27.487 5.372 1.00 0.00 O ATOM 1153 CB ALA A 74 -9.356 -28.701 7.373 1.00 0.00 C ATOM 0 H ALA A 74 -11.080 -29.507 5.648 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.008 -26.890 6.438 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.438 -28.265 7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.134 -28.658 8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.176 -29.740 7.097 1.00 0.00 H new ATOM 1159 N GLU A 75 -9.027 -28.358 3.890 1.00 0.00 N ATOM 1160 CA GLU A 75 -8.060 -28.395 2.799 1.00 0.00 C ATOM 1161 C GLU A 75 -8.131 -27.119 1.965 1.00 0.00 C ATOM 1162 O GLU A 75 -7.131 -26.675 1.404 1.00 0.00 O ATOM 1163 CB GLU A 75 -8.309 -29.614 1.909 1.00 0.00 C ATOM 1164 CG GLU A 75 -8.132 -30.940 2.629 1.00 0.00 C ATOM 1165 CD GLU A 75 -8.461 -32.130 1.749 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -9.417 -32.032 0.951 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -7.762 -33.160 1.857 1.00 0.00 O ATOM 0 H GLU A 75 -9.954 -28.706 3.645 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.063 -28.469 3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.321 -29.560 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.628 -29.578 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.103 -31.025 2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.771 -30.958 3.512 1.00 0.00 H new ATOM 1174 N ASN A 76 -9.323 -26.535 1.889 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.526 -25.311 1.122 1.00 0.00 C ATOM 1176 C ASN A 76 -9.592 -24.097 2.044 1.00 0.00 C ATOM 1177 O ASN A 76 -9.641 -22.956 1.583 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.811 -25.409 0.297 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.948 -26.048 1.070 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -12.315 -27.196 0.820 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -12.512 -25.304 2.015 1.00 0.00 N ATOM 0 H ASN A 76 -10.162 -26.889 2.349 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.678 -25.188 0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.110 -24.411 -0.025 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.617 -25.990 -0.605 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.282 -25.680 2.568 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.175 -24.357 2.188 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.592 -24.350 3.348 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.652 -23.279 4.336 1.00 0.00 C ATOM 1190 C LEU A 77 -8.297 -22.591 4.475 1.00 0.00 C ATOM 1191 O LEU A 77 -7.253 -23.241 4.442 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.097 -23.831 5.691 1.00 0.00 C ATOM 1193 CG LEU A 77 -10.564 -22.798 6.717 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.055 -22.539 6.574 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.233 -23.261 8.128 1.00 0.00 C ATOM 0 H LEU A 77 -9.551 -25.288 3.746 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.380 -22.544 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.908 -24.539 5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.268 -24.392 6.122 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.035 -21.863 6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.369 -21.801 7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.264 -22.162 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.603 -23.468 6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.572 -22.514 8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.734 -24.209 8.327 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.155 -23.393 8.224 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.323 -21.271 4.632 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.098 -20.495 4.780 1.00 0.00 C ATOM 1209 C VAL A 78 -7.350 -19.214 5.568 1.00 0.00 C ATOM 1210 O VAL A 78 -8.274 -18.460 5.266 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.496 -20.131 3.410 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.235 -19.298 3.585 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.206 -21.388 2.604 1.00 0.00 C ATOM 0 H VAL A 78 -9.179 -20.717 4.660 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.391 -21.120 5.325 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.224 -19.534 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.824 -19.050 2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.477 -18.380 4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.500 -19.866 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.781 -21.112 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.497 -22.013 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.132 -21.942 2.448 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.521 -18.976 6.580 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.655 -17.786 7.412 1.00 0.00 C ATOM 1225 C GLN A 79 -5.453 -16.864 7.240 1.00 0.00 C ATOM 1226 O GLN A 79 -4.309 -17.278 7.425 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.804 -18.181 8.882 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.061 -18.984 9.173 1.00 0.00 C ATOM 1229 CD GLN A 79 -7.887 -19.942 10.335 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.075 -19.708 11.231 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.650 -21.028 10.326 1.00 0.00 N ATOM 0 H GLN A 79 -5.751 -19.591 6.843 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.549 -17.250 7.095 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.933 -18.764 9.183 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.810 -17.278 9.493 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.882 -18.300 9.391 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.342 -19.546 8.283 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.310 -21.182 9.563 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.577 -21.709 11.082 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.721 -15.612 6.884 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.660 -14.631 6.686 1.00 0.00 C ATOM 1242 C TRP A 80 -5.140 -13.230 7.050 1.00 0.00 C ATOM 1243 O TRP A 80 -6.312 -12.901 6.873 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.177 -14.657 5.235 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.122 -13.990 4.282 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.093 -12.686 3.876 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.238 -14.594 3.618 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.123 -12.444 3.000 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -6.839 -13.598 2.824 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -6.786 -15.880 3.615 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -7.960 -13.849 2.038 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -7.899 -16.127 2.835 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.476 -15.117 2.055 1.00 0.00 C ATOM 0 H TRP A 80 -6.663 -15.253 6.727 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.830 -14.893 7.342 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.205 -14.167 5.174 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.032 -15.692 4.926 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.367 -11.953 4.197 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.322 -11.549 2.553 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.347 -16.666 4.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.407 -13.071 1.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.332 -17.116 2.827 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.345 -15.343 1.455 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.226 -12.410 7.559 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.558 -11.044 7.948 1.00 0.00 C ATOM 1266 C GLU A 81 -4.152 -10.054 6.860 1.00 0.00 C ATOM 1267 O GLU A 81 -2.996 -10.017 6.440 1.00 0.00 O ATOM 1268 CB GLU A 81 -3.868 -10.683 9.265 1.00 0.00 C ATOM 1269 CG GLU A 81 -4.610 -11.175 10.496 1.00 0.00 C ATOM 1270 CD GLU A 81 -5.678 -10.204 10.961 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -6.345 -9.599 10.097 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -5.845 -10.048 12.189 1.00 0.00 O ATOM 0 H GLU A 81 -3.251 -12.667 7.712 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.638 -10.985 8.084 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.862 -11.103 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.761 -9.600 9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.071 -12.138 10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.897 -11.339 11.304 1.00 0.00 H new ATOM 1279 N MET A 82 -5.112 -9.254 6.408 1.00 0.00 N ATOM 1280 CA MET A 82 -4.855 -8.264 5.369 1.00 0.00 C ATOM 1281 C MET A 82 -4.674 -6.875 5.975 1.00 0.00 C ATOM 1282 O MET A 82 -5.649 -6.195 6.291 1.00 0.00 O ATOM 1283 CB MET A 82 -6.001 -8.245 4.356 1.00 0.00 C ATOM 1284 CG MET A 82 -5.808 -9.216 3.203 1.00 0.00 C ATOM 1285 SD MET A 82 -4.887 -8.492 1.832 1.00 0.00 S ATOM 1286 CE MET A 82 -6.224 -7.876 0.813 1.00 0.00 C ATOM 0 H MET A 82 -6.075 -9.272 6.745 1.00 0.00 H new ATOM 0 HA MET A 82 -3.933 -8.542 4.858 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.933 -8.483 4.869 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.106 -7.236 3.957 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.282 -10.100 3.562 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.783 -9.548 2.846 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.830 -7.560 -0.153 1.00 0.00 H new ATOM 0 HE2 MET A 82 -6.961 -8.665 0.664 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.697 -7.027 1.307 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.420 -6.463 6.134 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.113 -5.156 6.703 1.00 0.00 C ATOM 1298 C GLU A 83 -2.781 -4.149 5.606 1.00 0.00 C ATOM 1299 O GLU A 83 -1.874 -4.365 4.803 1.00 0.00 O ATOM 1300 CB GLU A 83 -1.942 -5.264 7.683 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.690 -3.990 8.473 1.00 0.00 C ATOM 1302 CD GLU A 83 -0.442 -4.073 9.330 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -0.245 -5.114 9.991 1.00 0.00 O ATOM 1304 OE2 GLU A 83 0.337 -3.097 9.339 1.00 0.00 O ATOM 0 H GLU A 83 -2.601 -7.015 5.877 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.995 -4.805 7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.135 -6.081 8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.039 -5.523 7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.597 -3.151 7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.551 -3.785 9.110 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.525 -3.047 5.578 1.00 0.00 N ATOM 1312 CA VAL A 84 -3.310 -2.006 4.580 1.00 0.00 C ATOM 1313 C VAL A 84 -2.006 -1.258 4.837 1.00 0.00 C ATOM 1314 O VAL A 84 -1.964 -0.316 5.629 1.00 0.00 O ATOM 1315 CB VAL A 84 -4.473 -0.996 4.564 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -4.155 0.171 3.642 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.766 -1.679 4.146 1.00 0.00 C ATOM 0 H VAL A 84 -4.281 -2.853 6.235 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.255 -2.503 3.611 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.605 -0.605 5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.988 0.874 3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.254 0.675 3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.995 -0.199 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.577 -0.951 4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.649 -2.100 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.000 -2.477 4.851 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.944 -1.684 4.163 1.00 0.00 N ATOM 1328 CA CYS A 85 0.363 -1.056 4.318 1.00 0.00 C ATOM 1329 C CYS A 85 0.569 0.034 3.271 1.00 0.00 C ATOM 1330 O CYS A 85 -0.213 0.162 2.329 1.00 0.00 O ATOM 1331 CB CYS A 85 1.472 -2.103 4.207 1.00 0.00 C ATOM 1332 SG CYS A 85 2.999 -1.654 5.064 1.00 0.00 S ATOM 0 H CYS A 85 -0.962 -2.462 3.504 1.00 0.00 H new ATOM 0 HA CYS A 85 0.404 -0.598 5.306 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.107 -3.048 4.609 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.695 -2.270 3.153 1.00 0.00 H new ATOM 0 HG CYS A 85 3.875 -2.602 4.914 1.00 0.00 H new ATOM 1466 N ASN A 93 -0.374 2.895 -2.040 1.00 0.00 N ATOM 1467 CA ASN A 93 -0.133 2.115 -0.831 1.00 0.00 C ATOM 1468 C ASN A 93 0.184 0.663 -1.175 1.00 0.00 C ATOM 1469 O ASN A 93 -0.106 0.197 -2.277 1.00 0.00 O ATOM 1470 CB ASN A 93 -1.352 2.177 0.092 1.00 0.00 C ATOM 1471 CG ASN A 93 -1.540 3.549 0.710 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -2.636 4.108 0.687 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -0.466 4.099 1.267 1.00 0.00 N ATOM 0 HA ASN A 93 0.727 2.544 -0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.246 1.910 -0.472 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.242 1.437 0.884 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -0.531 5.021 1.698 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.423 3.599 1.263 1.00 0.00 H new ATOM 1480 N GLY A 94 0.782 -0.049 -0.224 1.00 0.00 N ATOM 1481 CA GLY A 94 1.128 -1.440 -0.445 1.00 0.00 C ATOM 1482 C GLY A 94 0.325 -2.384 0.427 1.00 0.00 C ATOM 1483 O GLY A 94 0.150 -2.139 1.621 1.00 0.00 O ATOM 0 H GLY A 94 1.033 0.314 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.963 -1.690 -1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.190 -1.583 -0.247 1.00 0.00 H new ATOM 1487 N VAL A 95 -0.167 -3.465 -0.169 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.957 -4.448 0.562 1.00 0.00 C ATOM 1489 C VAL A 95 -0.135 -5.694 0.871 1.00 0.00 C ATOM 1490 O VAL A 95 0.183 -6.479 -0.023 1.00 0.00 O ATOM 1491 CB VAL A 95 -2.213 -4.860 -0.230 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -3.054 -5.839 0.575 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -3.028 -3.633 -0.611 1.00 0.00 C ATOM 0 H VAL A 95 -0.032 -3.682 -1.156 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.263 -3.976 1.496 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.897 -5.358 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.937 -6.119 0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.466 -6.730 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.363 -5.370 1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.911 -3.942 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.336 -3.106 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.421 -2.971 -1.229 1.00 0.00 H new ATOM 1503 N ARG A 96 0.207 -5.870 2.143 1.00 0.00 N ATOM 1504 CA ARG A 96 0.994 -7.020 2.571 1.00 0.00 C ATOM 1505 C ARG A 96 0.088 -8.148 3.057 1.00 0.00 C ATOM 1506 O ARG A 96 -0.973 -7.903 3.631 1.00 0.00 O ATOM 1507 CB ARG A 96 1.964 -6.616 3.683 1.00 0.00 C ATOM 1508 CG ARG A 96 2.774 -7.778 4.236 1.00 0.00 C ATOM 1509 CD ARG A 96 3.964 -7.290 5.049 1.00 0.00 C ATOM 1510 NE ARG A 96 4.655 -8.388 5.719 1.00 0.00 N ATOM 1511 CZ ARG A 96 4.184 -9.004 6.797 1.00 0.00 C ATOM 1512 NH1 ARG A 96 3.025 -8.633 7.324 1.00 0.00 N ATOM 1513 NH2 ARG A 96 4.871 -9.995 7.350 1.00 0.00 N ATOM 0 H ARG A 96 -0.049 -5.231 2.895 1.00 0.00 H new ATOM 0 HA ARG A 96 1.564 -7.378 1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.647 -5.858 3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.401 -6.157 4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.136 -8.403 4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.125 -8.402 3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.662 -6.769 4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.624 -6.568 5.792 1.00 0.00 H new ATOM 0 HE ARG A 96 5.549 -8.699 5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.493 -7.873 6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.666 -9.108 8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.762 -10.285 6.947 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.508 -10.467 8.178 1.00 0.00 H new ATOM 1527 N PHE A 97 0.514 -9.385 2.822 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.259 -10.551 3.234 1.00 0.00 C ATOM 1529 C PHE A 97 0.432 -11.284 4.379 1.00 0.00 C ATOM 1530 O PHE A 97 1.660 -11.359 4.433 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.458 -11.501 2.051 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.602 -11.114 1.157 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.690 -9.833 0.637 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.590 -12.032 0.838 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.741 -9.474 -0.186 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.643 -11.679 0.016 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.719 -10.398 -0.496 1.00 0.00 C ATOM 0 H PHE A 97 1.390 -9.606 2.349 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.233 -10.206 3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.459 -11.532 1.462 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.628 -12.509 2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.928 -9.106 0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.536 -13.034 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.797 -8.472 -0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.406 -12.404 -0.226 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.542 -10.120 -1.138 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.365 -11.825 5.294 1.00 0.00 N ATOM 1548 CA LYS A 98 0.167 -12.554 6.439 1.00 0.00 C ATOM 1549 C LYS A 98 -0.605 -13.850 6.666 1.00 0.00 C ATOM 1550 O LYS A 98 -1.819 -13.833 6.869 1.00 0.00 O ATOM 1551 CB LYS A 98 0.105 -11.685 7.697 1.00 0.00 C ATOM 1552 CG LYS A 98 0.389 -12.448 8.979 1.00 0.00 C ATOM 1553 CD LYS A 98 1.882 -12.598 9.219 1.00 0.00 C ATOM 1554 CE LYS A 98 2.179 -13.734 10.186 1.00 0.00 C ATOM 1555 NZ LYS A 98 3.586 -14.209 10.068 1.00 0.00 N ATOM 0 H LYS A 98 -1.383 -11.772 5.265 1.00 0.00 H new ATOM 0 HA LYS A 98 1.207 -12.803 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.824 -10.871 7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.883 -11.231 7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.065 -11.927 9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.073 -13.434 8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.387 -12.784 8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.283 -11.666 9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.993 -13.400 11.207 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.498 -14.563 9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.749 -14.983 10.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.757 -14.551 9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.236 -13.425 10.277 1.00 0.00 H new ATOM 1569 N ARG A 99 0.107 -14.971 6.631 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.511 -16.276 6.833 1.00 0.00 C ATOM 1571 C ARG A 99 -0.690 -16.569 8.319 1.00 0.00 C ATOM 1572 O ARG A 99 0.205 -16.309 9.125 1.00 0.00 O ATOM 1573 CB ARG A 99 0.336 -17.372 6.184 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.387 -18.702 6.050 1.00 0.00 C ATOM 1575 CD ARG A 99 0.446 -19.714 5.278 1.00 0.00 C ATOM 1576 NE ARG A 99 1.403 -20.405 6.139 1.00 0.00 N ATOM 1577 CZ ARG A 99 1.050 -21.240 7.109 1.00 0.00 C ATOM 1578 NH1 ARG A 99 -0.232 -21.487 7.342 1.00 0.00 N ATOM 1579 NH2 ARG A 99 1.979 -21.830 7.849 1.00 0.00 N ATOM 0 H ARG A 99 1.113 -15.002 6.465 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.494 -16.261 6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.651 -17.038 5.195 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.241 -17.518 6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.613 -19.096 7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.339 -18.550 5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.213 -20.444 4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.981 -19.206 4.475 1.00 0.00 H new ATOM 0 HE ARG A 99 2.397 -20.237 5.986 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.950 -21.035 6.775 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.500 -22.129 8.088 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.966 -21.642 7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.706 -22.471 8.594 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.850 -17.110 8.675 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.144 -17.439 10.065 1.00 0.00 C ATOM 1595 C ILE A 100 -2.385 -18.935 10.237 1.00 0.00 C ATOM 1596 O ILE A 100 -2.036 -19.516 11.264 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.377 -16.670 10.576 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.013 -15.210 10.858 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -3.935 -17.334 11.826 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -3.225 -14.295 9.673 1.00 0.00 C ATOM 0 H ILE A 100 -2.601 -17.330 8.021 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.273 -17.144 10.650 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.146 -16.691 9.804 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.610 -14.850 11.696 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.969 -15.157 11.165 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.806 -16.779 12.175 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.226 -18.358 11.595 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.173 -17.341 12.605 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.947 -13.277 9.945 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.607 -14.630 8.840 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.274 -14.318 9.379 1.00 0.00 H new ATOM 1612 N SER A 101 -2.983 -19.553 9.223 1.00 0.00 N ATOM 1613 CA SER A 101 -3.273 -20.981 9.262 1.00 0.00 C ATOM 1614 C SER A 101 -3.719 -21.483 7.892 1.00 0.00 C ATOM 1615 O SER A 101 -4.134 -20.702 7.037 1.00 0.00 O ATOM 1616 CB SER A 101 -4.355 -21.275 10.303 1.00 0.00 C ATOM 1617 OG SER A 101 -3.854 -21.117 11.619 1.00 0.00 O ATOM 0 H SER A 101 -3.276 -19.087 8.364 1.00 0.00 H new ATOM 0 HA SER A 101 -2.359 -21.505 9.541 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.202 -20.606 10.150 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.724 -22.292 10.171 1.00 0.00 H new ATOM 0 HG SER A 101 -2.896 -20.916 11.582 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.630 -22.795 7.691 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.027 -23.379 6.424 1.00 0.00 C ATOM 1625 C GLY A 102 -2.839 -23.798 5.581 1.00 0.00 C ATOM 1626 O GLY A 102 -1.694 -23.486 5.909 1.00 0.00 O ATOM 0 H GLY A 102 -3.290 -23.463 8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.661 -24.246 6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.627 -22.659 5.868 1.00 0.00 H new ATOM 1630 N THR A 103 -3.110 -24.509 4.490 1.00 0.00 N ATOM 1631 CA THR A 103 -2.055 -24.973 3.599 1.00 0.00 C ATOM 1632 C THR A 103 -1.518 -23.833 2.742 1.00 0.00 C ATOM 1633 O THR A 103 -2.276 -22.982 2.278 1.00 0.00 O ATOM 1634 CB THR A 103 -2.554 -26.102 2.678 1.00 0.00 C ATOM 1635 OG1 THR A 103 -3.592 -25.612 1.821 1.00 0.00 O ATOM 1636 CG2 THR A 103 -3.075 -27.276 3.494 1.00 0.00 C ATOM 0 H THR A 103 -4.052 -24.776 4.203 1.00 0.00 H new ATOM 0 HA THR A 103 -1.254 -25.357 4.231 1.00 0.00 H new ATOM 0 HB THR A 103 -1.715 -26.445 2.073 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.903 -26.335 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.422 -28.061 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.275 -27.665 4.124 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.902 -26.944 4.122 1.00 0.00 H new ATOM 1644 N SER A 104 -0.205 -23.823 2.534 1.00 0.00 N ATOM 1645 CA SER A 104 0.434 -22.785 1.734 1.00 0.00 C ATOM 1646 C SER A 104 -0.201 -22.697 0.349 1.00 0.00 C ATOM 1647 O SER A 104 -0.597 -21.620 -0.097 1.00 0.00 O ATOM 1648 CB SER A 104 1.933 -23.062 1.603 1.00 0.00 C ATOM 1649 OG SER A 104 2.475 -23.524 2.828 1.00 0.00 O ATOM 0 H SER A 104 0.437 -24.522 2.908 1.00 0.00 H new ATOM 0 HA SER A 104 0.291 -21.831 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.102 -23.805 0.824 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.448 -22.153 1.294 1.00 0.00 H new ATOM 0 HG SER A 104 3.434 -23.695 2.718 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.294 -23.838 -0.325 1.00 0.00 N ATOM 1656 CA ILE A 105 -0.882 -23.892 -1.657 1.00 0.00 C ATOM 1657 C ILE A 105 -2.076 -22.950 -1.770 1.00 0.00 C ATOM 1658 O ILE A 105 -2.052 -21.991 -2.540 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.333 -25.320 -2.017 1.00 0.00 C ATOM 1660 CG1 ILE A 105 -0.118 -26.232 -2.195 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -2.181 -25.305 -3.280 1.00 0.00 C ATOM 1662 CD1 ILE A 105 0.836 -25.764 -3.271 1.00 0.00 C ATOM 0 H ILE A 105 0.030 -24.738 0.030 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.107 -23.578 -2.356 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.940 -25.710 -1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.419 -26.298 -1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.461 -27.238 -2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.492 -26.321 -3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.062 -24.684 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.597 -24.899 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.673 -26.458 -3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.315 -25.725 -4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.208 -24.771 -3.020 1.00 0.00 H new ATOM 1674 N ALA A 106 -3.119 -23.230 -0.995 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.321 -22.406 -1.004 1.00 0.00 C ATOM 1676 C ALA A 106 -3.980 -20.935 -0.792 1.00 0.00 C ATOM 1677 O ALA A 106 -4.526 -20.058 -1.462 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.296 -22.883 0.062 1.00 0.00 C ATOM 0 H ALA A 106 -3.155 -24.022 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.792 -22.505 -1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.189 -22.258 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.573 -23.918 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.825 -22.814 1.043 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.074 -20.672 0.144 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.662 -19.306 0.445 1.00 0.00 C ATOM 1686 C PHE A 107 -2.331 -18.543 -0.834 1.00 0.00 C ATOM 1687 O PHE A 107 -2.952 -17.525 -1.142 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.448 -19.311 1.378 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.145 -17.967 1.975 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -1.845 -17.512 3.081 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.161 -17.158 1.429 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.568 -16.275 3.633 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.120 -15.921 1.978 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.585 -15.478 3.080 1.00 0.00 C ATOM 0 H PHE A 107 -2.612 -21.386 0.707 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.492 -18.804 0.942 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.621 -20.026 2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.576 -19.659 0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.616 -18.131 3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.392 -17.498 0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.120 -15.932 4.496 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.891 -15.301 1.545 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.368 -14.511 3.508 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.348 -19.041 -1.576 1.00 0.00 N ATOM 1705 CA LYS A 108 -0.933 -18.409 -2.823 1.00 0.00 C ATOM 1706 C LYS A 108 -2.027 -18.521 -3.880 1.00 0.00 C ATOM 1707 O LYS A 108 -2.344 -17.548 -4.563 1.00 0.00 O ATOM 1708 CB LYS A 108 0.357 -19.050 -3.339 1.00 0.00 C ATOM 1709 CG LYS A 108 1.579 -18.716 -2.502 1.00 0.00 C ATOM 1710 CD LYS A 108 2.604 -19.837 -2.540 1.00 0.00 C ATOM 1711 CE LYS A 108 2.371 -20.843 -1.423 1.00 0.00 C ATOM 1712 NZ LYS A 108 1.438 -21.926 -1.838 1.00 0.00 N ATOM 0 H LYS A 108 -0.823 -19.882 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.752 -17.353 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.230 -20.132 -3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.530 -18.724 -4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.032 -17.795 -2.869 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.276 -18.533 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.555 -20.344 -3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.606 -19.418 -2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.324 -21.280 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.967 -20.330 -0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.735 -22.824 -1.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.474 -21.693 -1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.452 -22.018 -2.874 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.602 -19.712 -4.007 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.661 -19.950 -4.980 1.00 0.00 C ATOM 1728 C ASN A 109 -4.745 -18.881 -4.877 1.00 0.00 C ATOM 1729 O ASN A 109 -5.239 -18.385 -5.890 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.275 -21.336 -4.769 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.578 -22.407 -5.584 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -2.658 -23.127 -4.952 1.00 0.00 O flip ATOM 1733 ND2 ASN A 109 -3.863 -22.586 -6.768 1.00 0.00 N flip ATOM 0 H ASN A 109 -2.352 -20.528 -3.448 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.221 -19.902 -5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.223 -21.596 -3.712 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.331 -21.308 -5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.577 -22.009 -7.214 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.386 -23.311 -7.304 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.107 -18.531 -3.648 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.130 -17.519 -3.413 1.00 0.00 C ATOM 1742 C ILE A 110 -5.538 -16.115 -3.467 1.00 0.00 C ATOM 1743 O ILE A 110 -6.249 -15.139 -3.707 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.819 -17.721 -2.050 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.068 -16.843 -1.951 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -5.854 -17.408 -0.917 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.203 -17.304 -2.838 1.00 0.00 C ATOM 0 H ILE A 110 -4.708 -18.933 -2.800 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.870 -17.629 -4.206 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.123 -18.764 -1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.410 -16.827 -0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.804 -15.819 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.356 -17.555 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.991 -18.071 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.522 -16.373 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.055 -16.635 -2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.879 -17.293 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.494 -18.317 -2.559 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.231 -16.021 -3.244 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.542 -14.737 -3.272 1.00 0.00 C ATOM 1761 C ALA A 111 -3.527 -14.152 -4.680 1.00 0.00 C ATOM 1762 O ALA A 111 -3.506 -12.934 -4.856 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.122 -14.889 -2.747 1.00 0.00 C ATOM 0 H ALA A 111 -3.628 -16.819 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.085 -14.047 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.619 -13.922 -2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.151 -15.255 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.578 -15.599 -3.370 1.00 0.00 H new ATOM 1769 N SER A 112 -3.538 -15.027 -5.680 1.00 0.00 N ATOM 1770 CA SER A 112 -3.522 -14.597 -7.073 1.00 0.00 C ATOM 1771 C SER A 112 -4.832 -13.909 -7.445 1.00 0.00 C ATOM 1772 O SER A 112 -4.835 -12.857 -8.084 1.00 0.00 O ATOM 1773 CB SER A 112 -3.281 -15.793 -7.996 1.00 0.00 C ATOM 1774 OG SER A 112 -3.064 -15.372 -9.331 1.00 0.00 O ATOM 0 H SER A 112 -3.558 -16.039 -5.551 1.00 0.00 H new ATOM 0 HA SER A 112 -2.709 -13.882 -7.197 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.418 -16.359 -7.645 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.139 -16.464 -7.958 1.00 0.00 H new ATOM 0 HG SER A 112 -2.911 -16.155 -9.900 1.00 0.00 H new ATOM 1780 N LYS A 113 -5.945 -14.512 -7.039 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.263 -13.959 -7.327 1.00 0.00 C ATOM 1782 C LYS A 113 -7.431 -12.588 -6.680 1.00 0.00 C ATOM 1783 O LYS A 113 -7.588 -11.580 -7.371 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.356 -14.907 -6.829 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.524 -16.147 -7.689 1.00 0.00 C ATOM 1786 CD LYS A 113 -9.272 -15.837 -8.975 1.00 0.00 C ATOM 1787 CE LYS A 113 -10.777 -15.821 -8.754 1.00 0.00 C ATOM 1788 NZ LYS A 113 -11.467 -14.903 -9.702 1.00 0.00 N ATOM 0 H LYS A 113 -5.960 -15.384 -6.510 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.354 -13.845 -8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.124 -15.212 -5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.303 -14.369 -6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -7.544 -16.561 -7.928 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -9.064 -16.910 -7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.949 -14.870 -9.361 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -9.022 -16.581 -9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -11.172 -16.830 -8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.991 -15.513 -7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -12.491 -14.920 -9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -11.108 -13.936 -9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -11.285 -15.211 -10.678 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.395 -12.556 -5.353 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.541 -11.308 -4.614 1.00 0.00 C ATOM 1804 C ILE A 114 -6.833 -10.161 -5.328 1.00 0.00 C ATOM 1805 O ILE A 114 -7.377 -9.064 -5.452 1.00 0.00 O ATOM 1806 CB ILE A 114 -6.981 -11.431 -3.185 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.679 -12.569 -2.436 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.147 -10.117 -2.436 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.174 -12.381 -2.310 1.00 0.00 C ATOM 0 H ILE A 114 -7.266 -13.381 -4.767 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.609 -11.096 -4.560 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.917 -11.660 -3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.481 -13.508 -2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.247 -12.656 -1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -6.746 -10.220 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.609 -9.328 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.205 -9.860 -2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.602 -13.224 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.380 -11.459 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.619 -12.324 -3.304 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.618 -10.424 -5.798 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.838 -9.415 -6.503 1.00 0.00 C ATOM 1823 C ALA A 115 -5.511 -9.015 -7.812 1.00 0.00 C ATOM 1824 O ALA A 115 -5.984 -7.889 -7.958 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.429 -9.927 -6.767 1.00 0.00 C ATOM 0 H ALA A 115 -5.153 -11.327 -5.703 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.779 -8.530 -5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.857 -9.163 -7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.941 -10.156 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.478 -10.829 -7.377 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.552 -9.946 -8.760 1.00 0.00 N ATOM 1832 CA ASN A 116 -6.167 -9.689 -10.057 1.00 0.00 C ATOM 1833 C ASN A 116 -7.492 -8.952 -9.894 1.00 0.00 C ATOM 1834 O ASN A 116 -7.777 -7.999 -10.619 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.391 -11.004 -10.807 1.00 0.00 C ATOM 1836 CG ASN A 116 -5.125 -11.516 -11.467 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.936 -11.363 -12.674 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -4.251 -12.127 -10.676 1.00 0.00 N ATOM 0 H ASN A 116 -5.167 -10.885 -8.654 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.490 -9.059 -10.634 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.765 -11.756 -10.112 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -7.160 -10.860 -11.566 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -3.381 -12.492 -11.063 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -4.450 -12.231 -9.681 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.299 -9.399 -8.936 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.594 -8.781 -8.679 1.00 0.00 C ATOM 1847 C GLU A 117 -9.424 -7.348 -8.183 1.00 0.00 C ATOM 1848 O GLU A 117 -10.242 -6.475 -8.480 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.379 -9.598 -7.650 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.624 -11.036 -8.074 1.00 0.00 C ATOM 1851 CD GLU A 117 -11.139 -11.146 -9.496 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -10.308 -11.159 -10.428 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -12.372 -11.218 -9.677 1.00 0.00 O ATOM 0 H GLU A 117 -8.078 -10.186 -8.326 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.150 -8.760 -9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.836 -9.594 -6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.338 -9.113 -7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.696 -11.601 -7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.343 -11.493 -7.395 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.358 -7.112 -7.427 1.00 0.00 N ATOM 1861 CA LEU A 118 -8.080 -5.785 -6.890 1.00 0.00 C ATOM 1862 C LEU A 118 -7.165 -4.999 -7.824 1.00 0.00 C ATOM 1863 O LEU A 118 -6.541 -4.017 -7.420 1.00 0.00 O ATOM 1864 CB LEU A 118 -7.438 -5.898 -5.506 1.00 0.00 C ATOM 1865 CG LEU A 118 -8.402 -6.070 -4.331 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.747 -6.871 -3.216 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.864 -4.715 -3.817 1.00 0.00 C ATOM 0 H LEU A 118 -7.672 -7.822 -7.172 1.00 0.00 H new ATOM 0 HA LEU A 118 -9.026 -5.250 -6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.752 -6.745 -5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.839 -5.004 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 118 -9.276 -6.620 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.448 -6.983 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.468 -7.856 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.856 -6.349 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.549 -4.857 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.001 -4.138 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.374 -4.177 -4.616 1.00 0.00 H new ATOM 1879 N LYS A 119 -7.090 -5.437 -9.076 1.00 0.00 N ATOM 1880 CA LYS A 119 -6.255 -4.774 -10.071 1.00 0.00 C ATOM 1881 C LYS A 119 -4.855 -4.517 -9.521 1.00 0.00 C ATOM 1882 O LYS A 119 -4.173 -3.582 -9.944 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.894 -3.453 -10.505 1.00 0.00 C ATOM 1884 CG LYS A 119 -8.150 -3.631 -11.340 1.00 0.00 C ATOM 1885 CD LYS A 119 -7.825 -4.140 -12.734 1.00 0.00 C ATOM 1886 CE LYS A 119 -7.313 -3.023 -13.631 1.00 0.00 C ATOM 1887 NZ LYS A 119 -6.960 -3.521 -14.989 1.00 0.00 N ATOM 0 H LYS A 119 -7.598 -6.249 -9.426 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.172 -5.432 -10.936 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -7.137 -2.868 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.166 -2.877 -11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.822 -4.331 -10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.678 -2.680 -11.413 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -7.075 -4.928 -12.669 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -8.716 -4.584 -13.177 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -8.074 -2.247 -13.715 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -6.437 -2.563 -13.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.615 -2.730 -15.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.216 -4.243 -14.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.802 -3.938 -15.436 1.00 0.00 H new ATOM 1901 N LEU A 120 -4.432 -5.353 -8.579 1.00 0.00 N ATOM 1902 CA LEU A 120 -3.112 -5.217 -7.973 1.00 0.00 C ATOM 1903 C LEU A 120 -2.020 -5.661 -8.941 1.00 0.00 C ATOM 1904 O LEU A 120 -2.306 -6.112 -10.051 1.00 0.00 O ATOM 1905 CB LEU A 120 -3.033 -6.040 -6.686 1.00 0.00 C ATOM 1906 CG LEU A 120 -4.017 -5.653 -5.581 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.795 -6.510 -4.344 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.882 -4.176 -5.240 1.00 0.00 C ATOM 0 H LEU A 120 -4.984 -6.132 -8.219 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.955 -4.165 -7.735 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.194 -7.088 -6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.021 -5.960 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.029 -5.831 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.504 -6.220 -3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.943 -7.560 -4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.778 -6.365 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.590 -3.918 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.867 -3.973 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.092 -3.577 -6.126 1.00 0.00 H new ATOM 1920 N SER A 121 -0.768 -5.531 -8.513 1.00 0.00 N ATOM 1921 CA SER A 121 0.367 -5.917 -9.343 1.00 0.00 C ATOM 1922 C SER A 121 0.229 -7.362 -9.814 1.00 0.00 C ATOM 1923 O SER A 121 0.124 -7.629 -11.010 1.00 0.00 O ATOM 1924 CB SER A 121 1.674 -5.744 -8.568 1.00 0.00 C ATOM 1925 OG SER A 121 2.792 -5.784 -9.437 1.00 0.00 O ATOM 0 H SER A 121 -0.514 -5.162 -7.597 1.00 0.00 H new ATOM 0 HA SER A 121 0.383 -5.268 -10.218 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.660 -4.795 -8.032 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.763 -6.531 -7.819 1.00 0.00 H new ATOM 0 HG SER A 121 3.615 -5.669 -8.917 1.00 0.00 H new ATOM 1931 N GLY A 122 0.231 -8.291 -8.862 1.00 0.00 N ATOM 1932 CA GLY A 122 0.106 -9.697 -9.198 1.00 0.00 C ATOM 1933 C GLY A 122 1.449 -10.357 -9.439 1.00 0.00 C ATOM 1934 O GLY A 122 1.793 -10.722 -10.563 1.00 0.00 O ATOM 0 H GLY A 122 0.317 -8.095 -7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.411 -10.216 -8.391 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.512 -9.801 -10.090 1.00 0.00 H new ATOM 1938 N PRO A 123 2.235 -10.518 -8.364 1.00 0.00 N ATOM 1939 CA PRO A 123 3.561 -11.138 -8.438 1.00 0.00 C ATOM 1940 C PRO A 123 3.486 -12.633 -8.728 1.00 0.00 C ATOM 1941 O PRO A 123 2.400 -13.209 -8.793 1.00 0.00 O ATOM 1942 CB PRO A 123 4.146 -10.893 -7.045 1.00 0.00 C ATOM 1943 CG PRO A 123 2.959 -10.751 -6.155 1.00 0.00 C ATOM 1944 CD PRO A 123 1.889 -10.107 -6.992 1.00 0.00 C ATOM 0 HA PRO A 123 4.161 -10.721 -9.247 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.780 -11.722 -6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.764 -9.995 -7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.632 -11.722 -5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.195 -10.139 -5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.895 -10.452 -6.708 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.893 -9.022 -6.884 1.00 0.00 H new