USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 32 GLN : amide:sc= -3.1 X(o=-3.1,f=-3.5!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -2.01! C(o=-2!,f=-2!) USER MOD Single : A 54 GLN : amide:sc= -0.88 K(o=-0.88,f=-0.11) USER MOD Single : A 62 THR OG1 : rot 26:sc= -0.259 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -3.58! C(o=-3.6!,f=-7.3!) USER MOD Single : A 73 LYS NZ :NH3+ 150:sc= -0.122 (180deg=-1.39!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc=-0.00552 USER MOD Single : A 78 ASN : amide:sc= -0.025 X(o=-0.025,f=-0.039) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0509 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HE2:sc= -6.15! C(o=-6.2!,f=-9.9!) USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0209 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 168:sc= 1.09 USER MOD Single : A 99 SER OG : rot 180:sc= -1.01 USER MOD Single : A 104 ASN : amide:sc= -4.66! C(o=-4.7!,f=-11!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.59) USER MOD Single : A 116 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 340 N PRO A 27 -1.399 16.488 -1.000 1.00 0.00 N ATOM 341 CA PRO A 27 -1.527 15.225 -0.268 1.00 0.00 C ATOM 342 C PRO A 27 -1.908 14.062 -1.179 1.00 0.00 C ATOM 343 O PRO A 27 -2.310 14.248 -2.327 1.00 0.00 O ATOM 344 CB PRO A 27 -2.650 15.508 0.734 1.00 0.00 C ATOM 345 CG PRO A 27 -3.454 16.592 0.105 1.00 0.00 C ATOM 346 CD PRO A 27 -2.480 17.433 -0.672 1.00 0.00 C ATOM 0 HA PRO A 27 -0.587 14.927 0.196 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.255 14.619 0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.250 15.820 1.699 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.221 16.179 -0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.966 17.187 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.936 17.849 -1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.114 18.273 -0.082 1.00 0.00 H new ATOM 354 N PRO A 28 -1.779 12.834 -0.657 1.00 0.00 N ATOM 355 CA PRO A 28 -2.105 11.617 -1.406 1.00 0.00 C ATOM 356 C PRO A 28 -3.604 11.466 -1.643 1.00 0.00 C ATOM 357 O PRO A 28 -4.384 11.363 -0.696 1.00 0.00 O ATOM 358 CB PRO A 28 -1.590 10.494 -0.502 1.00 0.00 C ATOM 359 CG PRO A 28 -1.610 11.074 0.870 1.00 0.00 C ATOM 360 CD PRO A 28 -1.305 12.537 0.706 1.00 0.00 C ATOM 0 HA PRO A 28 -1.659 11.619 -2.401 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.225 9.610 -0.568 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.584 10.186 -0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.582 10.929 1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.871 10.591 1.509 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.822 13.141 1.452 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.240 12.740 0.814 1.00 0.00 H new ATOM 368 N ARG A 29 -3.999 11.453 -2.911 1.00 0.00 N ATOM 369 CA ARG A 29 -5.405 11.315 -3.272 1.00 0.00 C ATOM 370 C ARG A 29 -5.609 10.145 -4.230 1.00 0.00 C ATOM 371 O ARG A 29 -4.794 9.910 -5.121 1.00 0.00 O ATOM 372 CB ARG A 29 -5.919 12.607 -3.910 1.00 0.00 C ATOM 373 CG ARG A 29 -7.414 12.819 -3.736 1.00 0.00 C ATOM 374 CD ARG A 29 -8.203 12.193 -4.876 1.00 0.00 C ATOM 375 NE ARG A 29 -9.632 12.471 -4.770 1.00 0.00 N ATOM 376 CZ ARG A 29 -10.469 11.746 -4.036 1.00 0.00 C ATOM 377 NH1 ARG A 29 -10.021 10.705 -3.347 1.00 0.00 N ATOM 378 NH2 ARG A 29 -11.757 12.061 -3.990 1.00 0.00 N ATOM 0 H ARG A 29 -3.366 11.536 -3.706 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.970 11.118 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.387 13.453 -3.475 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.684 12.595 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.736 12.386 -2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.628 13.887 -3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.829 12.573 -5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.043 11.115 -4.879 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.008 13.265 -5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.032 10.459 -3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.666 10.150 -2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.106 12.861 -4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.399 11.504 -3.426 1.00 0.00 H new ATOM 392 N GLY A 30 -6.703 9.414 -4.039 1.00 0.00 N ATOM 393 CA GLY A 30 -6.994 8.277 -4.893 1.00 0.00 C ATOM 394 C GLY A 30 -5.953 7.181 -4.774 1.00 0.00 C ATOM 395 O GLY A 30 -5.567 6.570 -5.771 1.00 0.00 O ATOM 0 H GLY A 30 -7.393 9.589 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.973 7.874 -4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.050 8.610 -5.929 1.00 0.00 H new ATOM 399 N LEU A 31 -5.496 6.932 -3.551 1.00 0.00 N ATOM 400 CA LEU A 31 -4.492 5.903 -3.305 1.00 0.00 C ATOM 401 C LEU A 31 -5.150 4.579 -2.928 1.00 0.00 C ATOM 402 O LEU A 31 -5.786 4.468 -1.881 1.00 0.00 O ATOM 403 CB LEU A 31 -3.541 6.347 -2.192 1.00 0.00 C ATOM 404 CG LEU A 31 -2.474 5.333 -1.777 1.00 0.00 C ATOM 405 CD1 LEU A 31 -3.091 4.221 -0.943 1.00 0.00 C ATOM 406 CD2 LEU A 31 -1.777 4.760 -3.002 1.00 0.00 C ATOM 0 H LEU A 31 -5.805 7.428 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.924 5.757 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.040 7.261 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.135 6.600 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.730 5.846 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.317 3.509 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.542 4.646 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.856 3.710 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.021 4.040 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.509 4.262 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.301 5.566 -3.560 1.00 0.00 H new ATOM 418 N GLN A 32 -4.990 3.579 -3.789 1.00 0.00 N ATOM 419 CA GLN A 32 -5.568 2.263 -3.545 1.00 0.00 C ATOM 420 C GLN A 32 -4.757 1.175 -4.242 1.00 0.00 C ATOM 421 O GLN A 32 -4.070 1.435 -5.230 1.00 0.00 O ATOM 422 CB GLN A 32 -7.019 2.222 -4.027 1.00 0.00 C ATOM 423 CG GLN A 32 -7.990 2.925 -3.092 1.00 0.00 C ATOM 424 CD GLN A 32 -8.161 4.394 -3.425 1.00 0.00 C ATOM 425 OE1 GLN A 32 -8.013 5.259 -2.562 1.00 0.00 O ATOM 426 NE2 GLN A 32 -8.475 4.683 -4.683 1.00 0.00 N ATOM 0 H GLN A 32 -4.466 3.655 -4.661 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.544 2.077 -2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.079 2.683 -5.013 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.326 1.182 -4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.960 2.430 -3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.635 2.828 -2.066 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.588 3.933 -5.366 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.603 5.654 -4.966 1.00 0.00 H new ATOM 435 N VAL A 33 -4.842 -0.045 -3.721 1.00 0.00 N ATOM 436 CA VAL A 33 -4.117 -1.173 -4.294 1.00 0.00 C ATOM 437 C VAL A 33 -5.041 -2.055 -5.125 1.00 0.00 C ATOM 438 O VAL A 33 -6.237 -2.154 -4.848 1.00 0.00 O ATOM 439 CB VAL A 33 -3.455 -2.030 -3.199 1.00 0.00 C ATOM 440 CG1 VAL A 33 -2.307 -1.272 -2.550 1.00 0.00 C ATOM 441 CG2 VAL A 33 -4.483 -2.450 -2.159 1.00 0.00 C ATOM 0 H VAL A 33 -5.406 -0.277 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.342 -0.757 -4.937 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.049 -2.930 -3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.851 -1.893 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.561 -1.025 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.685 -0.354 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.999 -3.055 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.919 -1.563 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.269 -3.033 -2.639 1.00 0.00 H new ATOM 451 N SER A 34 -4.480 -2.696 -6.145 1.00 0.00 N ATOM 452 CA SER A 34 -5.254 -3.569 -7.020 1.00 0.00 C ATOM 453 C SER A 34 -4.418 -4.760 -7.478 1.00 0.00 C ATOM 454 O SER A 34 -3.218 -4.631 -7.723 1.00 0.00 O ATOM 455 CB SER A 34 -5.761 -2.789 -8.234 1.00 0.00 C ATOM 456 OG SER A 34 -6.580 -1.703 -7.838 1.00 0.00 O ATOM 0 H SER A 34 -3.491 -2.627 -6.386 1.00 0.00 H new ATOM 0 HA SER A 34 -6.108 -3.944 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.914 -2.418 -8.811 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.325 -3.454 -8.888 1.00 0.00 H new ATOM 0 HG SER A 34 -6.890 -1.220 -8.633 1.00 0.00 H new ATOM 462 N ILE A 35 -5.060 -5.917 -7.592 1.00 0.00 N ATOM 463 CA ILE A 35 -4.377 -7.131 -8.022 1.00 0.00 C ATOM 464 C ILE A 35 -4.229 -7.170 -9.539 1.00 0.00 C ATOM 465 O ILE A 35 -5.217 -7.104 -10.270 1.00 0.00 O ATOM 466 CB ILE A 35 -5.126 -8.394 -7.557 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.167 -8.454 -6.029 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.464 -9.641 -8.124 1.00 0.00 C ATOM 469 CD1 ILE A 35 -6.024 -9.580 -5.492 1.00 0.00 C ATOM 0 H ILE A 35 -6.053 -6.040 -7.393 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.388 -7.116 -7.563 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.150 -8.350 -7.928 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.151 -8.569 -5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.545 -7.506 -5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.005 -10.525 -7.787 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.481 -9.599 -9.213 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.431 -9.693 -7.779 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.007 -9.562 -4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.049 -9.455 -5.841 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.634 -10.534 -5.845 1.00 0.00 H new ATOM 481 N GLN A 36 -2.989 -7.280 -10.005 1.00 0.00 N ATOM 482 CA GLN A 36 -2.713 -7.330 -11.436 1.00 0.00 C ATOM 483 C GLN A 36 -3.827 -8.057 -12.181 1.00 0.00 C ATOM 484 O GLN A 36 -3.877 -9.286 -12.198 1.00 0.00 O ATOM 485 CB GLN A 36 -1.374 -8.023 -11.694 1.00 0.00 C ATOM 486 CG GLN A 36 -0.807 -7.754 -13.079 1.00 0.00 C ATOM 487 CD GLN A 36 -1.759 -8.156 -14.188 1.00 0.00 C ATOM 488 OE1 GLN A 36 -1.939 -9.341 -14.467 1.00 0.00 O ATOM 489 NE2 GLN A 36 -2.375 -7.168 -14.827 1.00 0.00 N ATOM 0 H GLN A 36 -2.160 -7.336 -9.413 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.662 -6.306 -11.806 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.654 -7.694 -10.945 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.500 -9.098 -11.564 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.574 -6.693 -13.172 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.131 -8.298 -13.195 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.196 -6.199 -14.562 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.027 -7.378 -15.582 1.00 0.00 H new ATOM 498 N GLY A 37 -4.722 -7.289 -12.795 1.00 0.00 N ATOM 499 CA GLY A 37 -5.824 -7.878 -13.532 1.00 0.00 C ATOM 500 C GLY A 37 -6.965 -8.303 -12.629 1.00 0.00 C ATOM 501 O GLY A 37 -6.741 -8.907 -11.580 1.00 0.00 O ATOM 0 H GLY A 37 -4.703 -6.269 -12.795 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.193 -7.159 -14.264 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.464 -8.743 -14.088 1.00 0.00 H new ATOM 505 N GLU A 38 -8.190 -7.986 -13.036 1.00 0.00 N ATOM 506 CA GLU A 38 -9.369 -8.338 -12.253 1.00 0.00 C ATOM 507 C GLU A 38 -9.424 -9.841 -11.998 1.00 0.00 C ATOM 508 O GLU A 38 -9.695 -10.626 -12.906 1.00 0.00 O ATOM 509 CB GLU A 38 -10.640 -7.885 -12.973 1.00 0.00 C ATOM 510 CG GLU A 38 -11.896 -8.006 -12.126 1.00 0.00 C ATOM 511 CD GLU A 38 -13.166 -7.882 -12.945 1.00 0.00 C ATOM 512 OE1 GLU A 38 -13.422 -6.783 -13.480 1.00 0.00 O ATOM 513 OE2 GLU A 38 -13.905 -8.884 -13.051 1.00 0.00 O ATOM 0 H GLU A 38 -8.392 -7.487 -13.902 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.302 -7.827 -11.293 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.521 -6.847 -13.284 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.765 -8.478 -13.879 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.892 -8.967 -11.612 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.887 -7.233 -11.357 1.00 0.00 H new ATOM 520 N ALA A 39 -9.164 -10.235 -10.755 1.00 0.00 N ATOM 521 CA ALA A 39 -9.186 -11.643 -10.380 1.00 0.00 C ATOM 522 C ALA A 39 -10.375 -11.952 -9.477 1.00 0.00 C ATOM 523 O ALA A 39 -11.006 -11.046 -8.933 1.00 0.00 O ATOM 524 CB ALA A 39 -7.884 -12.025 -9.691 1.00 0.00 C ATOM 0 H ALA A 39 -8.936 -9.599 -9.991 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.291 -12.235 -11.289 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.914 -13.079 -9.416 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.049 -11.850 -10.369 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.756 -11.420 -8.794 1.00 0.00 H new ATOM 530 N VAL A 40 -10.676 -13.238 -9.322 1.00 0.00 N ATOM 531 CA VAL A 40 -11.790 -13.667 -8.484 1.00 0.00 C ATOM 532 C VAL A 40 -11.300 -14.489 -7.298 1.00 0.00 C ATOM 533 O VAL A 40 -11.639 -14.204 -6.150 1.00 0.00 O ATOM 534 CB VAL A 40 -12.807 -14.499 -9.287 1.00 0.00 C ATOM 535 CG1 VAL A 40 -13.890 -15.048 -8.370 1.00 0.00 C ATOM 536 CG2 VAL A 40 -13.416 -13.664 -10.403 1.00 0.00 C ATOM 0 H VAL A 40 -10.164 -14.001 -9.766 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.279 -12.764 -8.119 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.284 -15.342 -9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -14.600 -15.633 -8.955 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.435 -15.683 -7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -14.412 -14.221 -7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -14.132 -14.268 -10.960 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.925 -12.800 -9.975 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.628 -13.324 -11.075 1.00 0.00 H new ATOM 546 N ALA A 41 -10.500 -15.511 -7.584 1.00 0.00 N ATOM 547 CA ALA A 41 -9.961 -16.374 -6.540 1.00 0.00 C ATOM 548 C ALA A 41 -8.494 -16.699 -6.799 1.00 0.00 C ATOM 549 O ALA A 41 -8.120 -17.089 -7.905 1.00 0.00 O ATOM 550 CB ALA A 41 -10.777 -17.655 -6.440 1.00 0.00 C ATOM 0 H ALA A 41 -10.211 -15.761 -8.530 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.026 -15.839 -5.592 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.363 -18.290 -5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.811 -17.410 -6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.742 -18.184 -7.392 1.00 0.00 H new ATOM 556 N VAL A 42 -7.665 -16.534 -5.773 1.00 0.00 N ATOM 557 CA VAL A 42 -6.239 -16.810 -5.890 1.00 0.00 C ATOM 558 C VAL A 42 -5.922 -18.246 -5.487 1.00 0.00 C ATOM 559 O VAL A 42 -6.689 -18.883 -4.766 1.00 0.00 O ATOM 560 CB VAL A 42 -5.408 -15.849 -5.018 1.00 0.00 C ATOM 561 CG1 VAL A 42 -4.079 -16.485 -4.639 1.00 0.00 C ATOM 562 CG2 VAL A 42 -5.189 -14.529 -5.742 1.00 0.00 C ATOM 0 H VAL A 42 -7.957 -16.210 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.973 -16.662 -6.937 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.961 -15.648 -4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.506 -15.791 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.261 -17.402 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.516 -16.718 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.600 -13.862 -5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.657 -14.710 -6.676 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.153 -14.068 -5.957 1.00 0.00 H new ATOM 572 N ARG A 43 -4.786 -18.750 -5.958 1.00 0.00 N ATOM 573 CA ARG A 43 -4.367 -20.112 -5.648 1.00 0.00 C ATOM 574 C ARG A 43 -3.476 -20.138 -4.410 1.00 0.00 C ATOM 575 O ARG A 43 -2.679 -19.231 -4.170 1.00 0.00 O ATOM 576 CB ARG A 43 -3.624 -20.723 -6.838 1.00 0.00 C ATOM 577 CG ARG A 43 -4.544 -21.342 -7.878 1.00 0.00 C ATOM 578 CD ARG A 43 -3.861 -21.451 -9.232 1.00 0.00 C ATOM 579 NE ARG A 43 -4.434 -22.517 -10.049 1.00 0.00 N ATOM 580 CZ ARG A 43 -3.774 -23.128 -11.027 1.00 0.00 C ATOM 581 NH1 ARG A 43 -2.525 -22.782 -11.307 1.00 0.00 N ATOM 582 NH2 ARG A 43 -4.364 -24.089 -11.727 1.00 0.00 N ATOM 0 H ARG A 43 -4.139 -18.236 -6.556 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.260 -20.703 -5.444 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.020 -19.951 -7.314 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.936 -21.486 -6.473 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.856 -22.332 -7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.447 -20.738 -7.972 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.950 -20.502 -9.760 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.797 -21.637 -9.087 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.393 -22.808 -9.859 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.068 -22.045 -10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.021 -23.253 -12.058 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.324 -24.359 -11.514 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.857 -24.558 -12.478 1.00 0.00 H new ATOM 596 N PRO A 44 -3.612 -21.202 -3.605 1.00 0.00 N ATOM 597 CA PRO A 44 -2.828 -21.372 -2.378 1.00 0.00 C ATOM 598 C PRO A 44 -1.357 -21.655 -2.665 1.00 0.00 C ATOM 599 O PRO A 44 -0.938 -22.810 -2.726 1.00 0.00 O ATOM 600 CB PRO A 44 -3.483 -22.579 -1.703 1.00 0.00 C ATOM 601 CG PRO A 44 -4.108 -23.344 -2.818 1.00 0.00 C ATOM 602 CD PRO A 44 -4.543 -22.321 -3.830 1.00 0.00 C ATOM 0 HA PRO A 44 -2.830 -20.471 -1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.747 -23.183 -1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.228 -22.267 -0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.399 -24.047 -3.254 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.958 -23.927 -2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.471 -22.706 -4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.579 -22.019 -3.677 1.00 0.00 H new ATOM 610 N GLY A 45 -0.578 -20.592 -2.841 1.00 0.00 N ATOM 611 CA GLY A 45 0.838 -20.748 -3.119 1.00 0.00 C ATOM 612 C GLY A 45 1.248 -20.093 -4.423 1.00 0.00 C ATOM 613 O GLY A 45 2.424 -20.102 -4.786 1.00 0.00 O ATOM 0 H GLY A 45 -0.902 -19.626 -2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.415 -20.316 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.083 -21.809 -3.156 1.00 0.00 H new ATOM 617 N GLU A 46 0.276 -19.525 -5.129 1.00 0.00 N ATOM 618 CA GLU A 46 0.543 -18.865 -6.402 1.00 0.00 C ATOM 619 C GLU A 46 0.946 -17.409 -6.186 1.00 0.00 C ATOM 620 O GLU A 46 0.154 -16.600 -5.702 1.00 0.00 O ATOM 621 CB GLU A 46 -0.688 -18.936 -7.307 1.00 0.00 C ATOM 622 CG GLU A 46 -0.661 -17.936 -8.451 1.00 0.00 C ATOM 623 CD GLU A 46 0.531 -18.131 -9.368 1.00 0.00 C ATOM 624 OE1 GLU A 46 1.617 -17.603 -9.049 1.00 0.00 O ATOM 625 OE2 GLU A 46 0.378 -18.810 -10.405 1.00 0.00 O ATOM 0 H GLU A 46 -0.703 -19.508 -4.842 1.00 0.00 H new ATOM 0 HA GLU A 46 1.370 -19.385 -6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.769 -19.943 -7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.581 -18.764 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.580 -18.028 -9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.640 -16.925 -8.044 1.00 0.00 H new ATOM 632 N ASP A 47 2.182 -17.083 -6.547 1.00 0.00 N ATOM 633 CA ASP A 47 2.691 -15.726 -6.394 1.00 0.00 C ATOM 634 C ASP A 47 1.702 -14.708 -6.954 1.00 0.00 C ATOM 635 O ASP A 47 1.428 -14.689 -8.153 1.00 0.00 O ATOM 636 CB ASP A 47 4.043 -15.582 -7.096 1.00 0.00 C ATOM 637 CG ASP A 47 4.166 -16.489 -8.304 1.00 0.00 C ATOM 638 OD1 ASP A 47 3.763 -16.066 -9.408 1.00 0.00 O ATOM 639 OD2 ASP A 47 4.666 -17.622 -8.146 1.00 0.00 O ATOM 0 H ASP A 47 2.850 -17.741 -6.948 1.00 0.00 H new ATOM 0 HA ASP A 47 2.821 -15.532 -5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.179 -14.546 -7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.842 -15.811 -6.391 1.00 0.00 H new ATOM 644 N VAL A 48 1.169 -13.863 -6.076 1.00 0.00 N ATOM 645 CA VAL A 48 0.211 -12.843 -6.482 1.00 0.00 C ATOM 646 C VAL A 48 0.902 -11.506 -6.727 1.00 0.00 C ATOM 647 O VAL A 48 1.827 -11.132 -6.005 1.00 0.00 O ATOM 648 CB VAL A 48 -0.890 -12.653 -5.422 1.00 0.00 C ATOM 649 CG1 VAL A 48 -0.396 -11.763 -4.292 1.00 0.00 C ATOM 650 CG2 VAL A 48 -2.146 -12.075 -6.057 1.00 0.00 C ATOM 0 H VAL A 48 1.385 -13.866 -5.079 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.245 -13.188 -7.410 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.138 -13.628 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.188 -11.640 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.473 -12.222 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.119 -10.788 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.914 -11.947 -5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.915 -11.109 -6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.510 -12.755 -6.828 1.00 0.00 H new ATOM 660 N LEU A 49 0.446 -10.789 -7.748 1.00 0.00 N ATOM 661 CA LEU A 49 1.020 -9.492 -8.089 1.00 0.00 C ATOM 662 C LEU A 49 0.051 -8.363 -7.753 1.00 0.00 C ATOM 663 O LEU A 49 -1.066 -8.315 -8.270 1.00 0.00 O ATOM 664 CB LEU A 49 1.381 -9.445 -9.575 1.00 0.00 C ATOM 665 CG LEU A 49 2.590 -10.280 -9.998 1.00 0.00 C ATOM 666 CD1 LEU A 49 3.882 -9.608 -9.559 1.00 0.00 C ATOM 667 CD2 LEU A 49 2.496 -11.686 -9.424 1.00 0.00 C ATOM 0 H LEU A 49 -0.320 -11.084 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 49 1.926 -9.357 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.516 -9.777 -10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.567 -8.407 -9.851 1.00 0.00 H new ATOM 0 HG LEU A 49 2.594 -10.354 -11.086 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.732 -10.216 -9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.954 -8.623 -10.019 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.887 -9.503 -8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.365 -12.265 -9.736 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.466 -11.633 -8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.589 -12.168 -9.789 1.00 0.00 H new ATOM 679 N PHE A 50 0.486 -7.454 -6.887 1.00 0.00 N ATOM 680 CA PHE A 50 -0.342 -6.324 -6.483 1.00 0.00 C ATOM 681 C PHE A 50 0.164 -5.028 -7.109 1.00 0.00 C ATOM 682 O PHE A 50 1.211 -4.507 -6.725 1.00 0.00 O ATOM 683 CB PHE A 50 -0.358 -6.195 -4.959 1.00 0.00 C ATOM 684 CG PHE A 50 -1.474 -6.959 -4.304 1.00 0.00 C ATOM 685 CD1 PHE A 50 -2.782 -6.510 -4.389 1.00 0.00 C ATOM 686 CD2 PHE A 50 -1.214 -8.126 -3.604 1.00 0.00 C ATOM 687 CE1 PHE A 50 -3.811 -7.211 -3.788 1.00 0.00 C ATOM 688 CE2 PHE A 50 -2.239 -8.831 -3.002 1.00 0.00 C ATOM 689 CZ PHE A 50 -3.538 -8.372 -3.093 1.00 0.00 C ATOM 0 H PHE A 50 1.408 -7.478 -6.451 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.357 -6.505 -6.836 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.594 -6.547 -4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.444 -5.142 -4.692 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.000 -5.602 -4.931 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.200 -8.489 -3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.827 -6.851 -3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.024 -9.740 -2.461 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.340 -8.921 -2.621 1.00 0.00 H new ATOM 699 N VAL A 51 -0.588 -4.512 -8.077 1.00 0.00 N ATOM 700 CA VAL A 51 -0.217 -3.277 -8.757 1.00 0.00 C ATOM 701 C VAL A 51 -0.573 -2.057 -7.913 1.00 0.00 C ATOM 702 O VAL A 51 -1.661 -1.980 -7.341 1.00 0.00 O ATOM 703 CB VAL A 51 -0.911 -3.160 -10.127 1.00 0.00 C ATOM 704 CG1 VAL A 51 -0.553 -1.842 -10.797 1.00 0.00 C ATOM 705 CG2 VAL A 51 -0.539 -4.338 -11.014 1.00 0.00 C ATOM 0 H VAL A 51 -1.458 -4.930 -8.407 1.00 0.00 H new ATOM 0 HA VAL A 51 0.862 -3.310 -8.907 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.990 -3.178 -9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.053 -1.778 -11.764 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.875 -1.014 -10.166 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.526 -1.789 -10.942 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.038 -4.239 -11.978 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.540 -4.354 -11.164 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.852 -5.266 -10.536 1.00 0.00 H new ATOM 715 N VAL A 52 0.351 -1.104 -7.841 1.00 0.00 N ATOM 716 CA VAL A 52 0.135 0.113 -7.069 1.00 0.00 C ATOM 717 C VAL A 52 0.173 1.346 -7.965 1.00 0.00 C ATOM 718 O VAL A 52 1.052 1.480 -8.817 1.00 0.00 O ATOM 719 CB VAL A 52 1.189 0.268 -5.957 1.00 0.00 C ATOM 720 CG1 VAL A 52 2.591 0.274 -6.547 1.00 0.00 C ATOM 721 CG2 VAL A 52 0.934 1.534 -5.154 1.00 0.00 C ATOM 0 H VAL A 52 1.256 -1.152 -8.308 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.852 0.028 -6.614 1.00 0.00 H new ATOM 0 HB VAL A 52 1.108 -0.585 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.322 0.384 -5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.768 -0.664 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.689 1.106 -7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.688 1.627 -4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.986 2.400 -5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.055 1.483 -4.699 1.00 0.00 H new ATOM 731 N ARG A 53 -0.786 2.245 -7.767 1.00 0.00 N ATOM 732 CA ARG A 53 -0.862 3.467 -8.558 1.00 0.00 C ATOM 733 C ARG A 53 -1.611 4.560 -7.799 1.00 0.00 C ATOM 734 O ARG A 53 -2.440 4.272 -6.937 1.00 0.00 O ATOM 735 CB ARG A 53 -1.555 3.193 -9.894 1.00 0.00 C ATOM 736 CG ARG A 53 -1.464 4.350 -10.876 1.00 0.00 C ATOM 737 CD ARG A 53 -2.514 4.236 -11.970 1.00 0.00 C ATOM 738 NE ARG A 53 -2.064 3.392 -13.074 1.00 0.00 N ATOM 739 CZ ARG A 53 -2.686 3.320 -14.245 1.00 0.00 C ATOM 740 NH1 ARG A 53 -3.779 4.038 -14.464 1.00 0.00 N ATOM 741 NH2 ARG A 53 -2.215 2.529 -15.201 1.00 0.00 N ATOM 0 H ARG A 53 -1.521 2.150 -7.066 1.00 0.00 H new ATOM 0 HA ARG A 53 0.155 3.811 -8.748 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.112 2.306 -10.348 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.605 2.966 -9.709 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.593 5.292 -10.343 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.471 4.371 -11.324 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.432 3.825 -11.550 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.754 5.230 -12.348 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.226 2.827 -12.938 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.144 4.648 -13.732 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.255 3.981 -15.364 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.374 1.975 -15.037 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.694 2.475 -16.100 1.00 0.00 H new ATOM 755 N GLN A 54 -1.310 5.812 -8.126 1.00 0.00 N ATOM 756 CA GLN A 54 -1.954 6.947 -7.475 1.00 0.00 C ATOM 757 C GLN A 54 -2.754 7.769 -8.479 1.00 0.00 C ATOM 758 O GLN A 54 -2.307 8.001 -9.602 1.00 0.00 O ATOM 759 CB GLN A 54 -0.908 7.830 -6.792 1.00 0.00 C ATOM 760 CG GLN A 54 -1.508 8.978 -5.996 1.00 0.00 C ATOM 761 CD GLN A 54 -0.643 9.387 -4.820 1.00 0.00 C ATOM 762 OE1 GLN A 54 0.567 9.565 -4.957 1.00 0.00 O ATOM 763 NE2 GLN A 54 -1.262 9.537 -3.654 1.00 0.00 N ATOM 0 H GLN A 54 -0.625 6.066 -8.837 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.641 6.560 -6.722 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.303 7.214 -6.126 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.237 8.235 -7.549 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.650 9.836 -6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.494 8.687 -5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.267 9.379 -3.586 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.732 9.810 -2.827 1.00 0.00 H new ATOM 872 N THR A 62 6.911 9.653 -0.436 1.00 0.00 N ATOM 873 CA THR A 62 5.841 9.072 0.365 1.00 0.00 C ATOM 874 C THR A 62 6.131 7.612 0.694 1.00 0.00 C ATOM 875 O THR A 62 6.542 6.839 -0.172 1.00 0.00 O ATOM 876 CB THR A 62 4.484 9.162 -0.360 1.00 0.00 C ATOM 877 OG1 THR A 62 4.167 10.531 -0.636 1.00 0.00 O ATOM 878 CG2 THR A 62 3.379 8.539 0.480 1.00 0.00 C ATOM 0 HA THR A 62 5.791 9.647 1.289 1.00 0.00 H new ATOM 0 HB THR A 62 4.560 8.611 -1.297 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.995 11.052 -0.698 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.431 8.614 -0.052 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.609 7.490 0.664 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.304 9.066 1.431 1.00 0.00 H new ATOM 886 N LYS A 63 5.916 7.240 1.951 1.00 0.00 N ATOM 887 CA LYS A 63 6.152 5.871 2.396 1.00 0.00 C ATOM 888 C LYS A 63 4.865 5.055 2.352 1.00 0.00 C ATOM 889 O LYS A 63 3.788 5.557 2.674 1.00 0.00 O ATOM 890 CB LYS A 63 6.724 5.866 3.815 1.00 0.00 C ATOM 891 CG LYS A 63 8.015 6.655 3.954 1.00 0.00 C ATOM 892 CD LYS A 63 9.230 5.789 3.666 1.00 0.00 C ATOM 893 CE LYS A 63 10.511 6.609 3.669 1.00 0.00 C ATOM 894 NZ LYS A 63 10.951 6.946 5.052 1.00 0.00 N ATOM 0 H LYS A 63 5.578 7.868 2.681 1.00 0.00 H new ATOM 0 HA LYS A 63 6.874 5.414 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.981 6.278 4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.903 4.836 4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.000 7.503 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.087 7.062 4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.301 4.999 4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.110 5.302 2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.300 6.052 3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.355 7.528 3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.827 7.505 5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.209 7.499 5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.124 6.070 5.584 1.00 0.00 H new ATOM 908 N TYR A 64 4.983 3.793 1.952 1.00 0.00 N ATOM 909 CA TYR A 64 3.828 2.907 1.866 1.00 0.00 C ATOM 910 C TYR A 64 4.066 1.624 2.656 1.00 0.00 C ATOM 911 O TYR A 64 4.975 0.853 2.349 1.00 0.00 O ATOM 912 CB TYR A 64 3.526 2.572 0.405 1.00 0.00 C ATOM 913 CG TYR A 64 3.141 3.775 -0.426 1.00 0.00 C ATOM 914 CD1 TYR A 64 2.055 4.567 -0.075 1.00 0.00 C ATOM 915 CD2 TYR A 64 3.863 4.119 -1.562 1.00 0.00 C ATOM 916 CE1 TYR A 64 1.700 5.668 -0.832 1.00 0.00 C ATOM 917 CE2 TYR A 64 3.516 5.218 -2.324 1.00 0.00 C ATOM 918 CZ TYR A 64 2.433 5.989 -1.955 1.00 0.00 C ATOM 919 OH TYR A 64 2.083 7.084 -2.711 1.00 0.00 O ATOM 0 H TYR A 64 5.867 3.361 1.682 1.00 0.00 H new ATOM 0 HA TYR A 64 2.971 3.424 2.298 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.402 2.100 -0.039 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.717 1.842 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.478 4.319 0.804 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.710 3.517 -1.855 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.853 6.274 -0.545 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.089 5.472 -3.203 1.00 0.00 H new ATOM 0 HH TYR A 64 2.701 7.171 -3.466 1.00 0.00 H new ATOM 929 N GLN A 65 3.241 1.402 3.674 1.00 0.00 N ATOM 930 CA GLN A 65 3.360 0.213 4.509 1.00 0.00 C ATOM 931 C GLN A 65 2.373 -0.863 4.068 1.00 0.00 C ATOM 932 O GLN A 65 1.171 -0.752 4.309 1.00 0.00 O ATOM 933 CB GLN A 65 3.124 0.569 5.977 1.00 0.00 C ATOM 934 CG GLN A 65 3.746 -0.419 6.951 1.00 0.00 C ATOM 935 CD GLN A 65 3.458 -1.861 6.583 1.00 0.00 C ATOM 936 OE1 GLN A 65 2.327 -2.215 6.249 1.00 0.00 O ATOM 937 NE2 GLN A 65 4.483 -2.704 6.641 1.00 0.00 N ATOM 0 H GLN A 65 2.483 2.030 3.940 1.00 0.00 H new ATOM 0 HA GLN A 65 4.371 -0.180 4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.530 1.562 6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.051 0.621 6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.825 -0.264 6.981 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.368 -0.222 7.954 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.404 -2.368 6.923 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.349 -3.687 6.404 1.00 0.00 H new ATOM 946 N VAL A 66 2.888 -1.903 3.421 1.00 0.00 N ATOM 947 CA VAL A 66 2.052 -3.000 2.947 1.00 0.00 C ATOM 948 C VAL A 66 1.912 -4.083 4.011 1.00 0.00 C ATOM 949 O VAL A 66 2.905 -4.641 4.477 1.00 0.00 O ATOM 950 CB VAL A 66 2.624 -3.627 1.663 1.00 0.00 C ATOM 951 CG1 VAL A 66 1.700 -4.719 1.144 1.00 0.00 C ATOM 952 CG2 VAL A 66 2.849 -2.559 0.603 1.00 0.00 C ATOM 0 H VAL A 66 3.881 -2.009 3.213 1.00 0.00 H new ATOM 0 HA VAL A 66 1.070 -2.579 2.730 1.00 0.00 H new ATOM 0 HB VAL A 66 3.587 -4.081 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.121 -5.151 0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.595 -5.497 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.721 -4.293 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.254 -3.020 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.901 -2.074 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.553 -1.817 0.978 1.00 0.00 H new ATOM 962 N ASP A 67 0.673 -4.376 4.389 1.00 0.00 N ATOM 963 CA ASP A 67 0.402 -5.395 5.397 1.00 0.00 C ATOM 964 C ASP A 67 -0.286 -6.606 4.774 1.00 0.00 C ATOM 965 O ASP A 67 -1.452 -6.538 4.383 1.00 0.00 O ATOM 966 CB ASP A 67 -0.467 -4.818 6.515 1.00 0.00 C ATOM 967 CG ASP A 67 -0.869 -5.865 7.535 1.00 0.00 C ATOM 968 OD1 ASP A 67 -0.171 -6.896 7.634 1.00 0.00 O ATOM 969 OD2 ASP A 67 -1.882 -5.654 8.234 1.00 0.00 O ATOM 0 H ASP A 67 -0.160 -3.923 4.013 1.00 0.00 H new ATOM 0 HA ASP A 67 1.354 -5.717 5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.076 -4.016 7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.363 -4.374 6.082 1.00 0.00 H new ATOM 974 N LEU A 68 0.444 -7.713 4.684 1.00 0.00 N ATOM 975 CA LEU A 68 -0.095 -8.939 4.107 1.00 0.00 C ATOM 976 C LEU A 68 -1.115 -9.579 5.044 1.00 0.00 C ATOM 977 O LEU A 68 -2.160 -10.058 4.607 1.00 0.00 O ATOM 978 CB LEU A 68 1.035 -9.928 3.813 1.00 0.00 C ATOM 979 CG LEU A 68 1.740 -9.759 2.467 1.00 0.00 C ATOM 980 CD1 LEU A 68 0.823 -10.178 1.328 1.00 0.00 C ATOM 981 CD2 LEU A 68 2.200 -8.320 2.282 1.00 0.00 C ATOM 0 H LEU A 68 1.410 -7.786 5.003 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.597 -8.682 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.780 -9.843 4.604 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.629 -10.938 3.864 1.00 0.00 H new ATOM 0 HG LEU A 68 2.618 -10.404 2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.342 -10.051 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.544 -11.224 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.074 -9.559 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.700 -8.219 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.337 -7.655 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.893 -8.054 3.080 1.00 0.00 H new ATOM 993 N GLY A 69 -0.803 -9.582 6.337 1.00 0.00 N ATOM 994 CA GLY A 69 -1.702 -10.163 7.316 1.00 0.00 C ATOM 995 C GLY A 69 -1.175 -11.465 7.888 1.00 0.00 C ATOM 996 O GLY A 69 -0.989 -11.588 9.098 1.00 0.00 O ATOM 0 H GLY A 69 0.057 -9.192 6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.860 -9.452 8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.673 -10.340 6.853 1.00 0.00 H new ATOM 1000 N ASP A 70 -0.934 -12.437 7.015 1.00 0.00 N ATOM 1001 CA ASP A 70 -0.426 -13.736 7.440 1.00 0.00 C ATOM 1002 C ASP A 70 0.724 -13.573 8.429 1.00 0.00 C ATOM 1003 O ASP A 70 0.560 -13.788 9.629 1.00 0.00 O ATOM 1004 CB ASP A 70 0.039 -14.547 6.229 1.00 0.00 C ATOM 1005 CG ASP A 70 0.658 -15.873 6.623 1.00 0.00 C ATOM 1006 OD1 ASP A 70 0.039 -16.602 7.425 1.00 0.00 O ATOM 1007 OD2 ASP A 70 1.764 -16.182 6.130 1.00 0.00 O ATOM 0 H ASP A 70 -1.082 -12.350 6.010 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.236 -14.270 7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.809 -14.727 5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.765 -13.964 5.663 1.00 0.00 H new ATOM 1012 N GLY A 71 1.890 -13.191 7.916 1.00 0.00 N ATOM 1013 CA GLY A 71 3.050 -13.006 8.768 1.00 0.00 C ATOM 1014 C GLY A 71 4.178 -12.281 8.061 1.00 0.00 C ATOM 1015 O GLY A 71 5.339 -12.388 8.457 1.00 0.00 O ATOM 0 H GLY A 71 2.052 -13.006 6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.760 -12.443 9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.405 -13.978 9.110 1.00 0.00 H new ATOM 1019 N PHE A 72 3.838 -11.541 7.011 1.00 0.00 N ATOM 1020 CA PHE A 72 4.832 -10.797 6.246 1.00 0.00 C ATOM 1021 C PHE A 72 4.623 -9.293 6.400 1.00 0.00 C ATOM 1022 O PHE A 72 3.496 -8.802 6.342 1.00 0.00 O ATOM 1023 CB PHE A 72 4.762 -11.184 4.767 1.00 0.00 C ATOM 1024 CG PHE A 72 5.944 -10.715 3.968 1.00 0.00 C ATOM 1025 CD1 PHE A 72 7.233 -11.047 4.353 1.00 0.00 C ATOM 1026 CD2 PHE A 72 5.766 -9.942 2.832 1.00 0.00 C ATOM 1027 CE1 PHE A 72 8.322 -10.616 3.620 1.00 0.00 C ATOM 1028 CE2 PHE A 72 6.852 -9.508 2.094 1.00 0.00 C ATOM 1029 CZ PHE A 72 8.132 -9.847 2.489 1.00 0.00 C ATOM 0 H PHE A 72 2.882 -11.440 6.670 1.00 0.00 H new ATOM 0 HA PHE A 72 5.818 -11.051 6.635 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.686 -12.268 4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.852 -10.768 4.334 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.388 -11.649 5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.767 -9.675 2.519 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.322 -10.881 3.932 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.700 -8.905 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.982 -9.511 1.914 1.00 0.00 H new ATOM 1039 N LYS A 73 5.718 -8.567 6.598 1.00 0.00 N ATOM 1040 CA LYS A 73 5.658 -7.120 6.761 1.00 0.00 C ATOM 1041 C LYS A 73 6.818 -6.443 6.039 1.00 0.00 C ATOM 1042 O LYS A 73 7.984 -6.713 6.327 1.00 0.00 O ATOM 1043 CB LYS A 73 5.682 -6.751 8.246 1.00 0.00 C ATOM 1044 CG LYS A 73 4.323 -6.846 8.918 1.00 0.00 C ATOM 1045 CD LYS A 73 4.266 -6.002 10.180 1.00 0.00 C ATOM 1046 CE LYS A 73 4.752 -6.780 11.394 1.00 0.00 C ATOM 1047 NZ LYS A 73 6.226 -6.990 11.365 1.00 0.00 N ATOM 0 H LYS A 73 6.659 -8.958 6.649 1.00 0.00 H new ATOM 0 HA LYS A 73 4.725 -6.769 6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.381 -7.408 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.061 -5.735 8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.549 -6.518 8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.110 -7.886 9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.878 -5.109 10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.243 -5.665 10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.480 -6.243 12.302 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.248 -7.746 11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.589 -7.038 12.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.440 -7.880 10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.680 -6.199 10.865 1.00 0.00 H new ATOM 1061 N ALA A 74 6.492 -5.560 5.100 1.00 0.00 N ATOM 1062 CA ALA A 74 7.507 -4.842 4.341 1.00 0.00 C ATOM 1063 C ALA A 74 7.058 -3.417 4.033 1.00 0.00 C ATOM 1064 O ALA A 74 5.881 -3.171 3.769 1.00 0.00 O ATOM 1065 CB ALA A 74 7.827 -5.586 3.052 1.00 0.00 C ATOM 0 H ALA A 74 5.532 -5.325 4.847 1.00 0.00 H new ATOM 0 HA ALA A 74 8.409 -4.787 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.587 -5.038 2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.199 -6.582 3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.924 -5.671 2.447 1.00 0.00 H new ATOM 1071 N MET A 75 8.002 -2.483 4.071 1.00 0.00 N ATOM 1072 CA MET A 75 7.702 -1.082 3.796 1.00 0.00 C ATOM 1073 C MET A 75 8.438 -0.603 2.549 1.00 0.00 C ATOM 1074 O MET A 75 9.666 -0.524 2.533 1.00 0.00 O ATOM 1075 CB MET A 75 8.085 -0.211 4.994 1.00 0.00 C ATOM 1076 CG MET A 75 8.008 1.280 4.711 1.00 0.00 C ATOM 1077 SD MET A 75 9.089 2.247 5.782 1.00 0.00 S ATOM 1078 CE MET A 75 10.592 2.276 4.808 1.00 0.00 C ATOM 0 H MET A 75 8.981 -2.670 4.289 1.00 0.00 H new ATOM 0 HA MET A 75 6.630 -0.994 3.620 1.00 0.00 H new ATOM 0 HB2 MET A 75 7.427 -0.448 5.830 1.00 0.00 H new ATOM 0 HB3 MET A 75 9.099 -0.461 5.305 1.00 0.00 H new ATOM 0 HG2 MET A 75 8.276 1.463 3.670 1.00 0.00 H new ATOM 0 HG3 MET A 75 6.980 1.618 4.839 1.00 0.00 H new ATOM 0 HE1 MET A 75 11.359 2.840 5.339 1.00 0.00 H new ATOM 0 HE2 MET A 75 10.939 1.256 4.645 1.00 0.00 H new ATOM 0 HE3 MET A 75 10.394 2.750 3.847 1.00 0.00 H new ATOM 1088 N TYR A 76 7.679 -0.286 1.505 1.00 0.00 N ATOM 1089 CA TYR A 76 8.260 0.182 0.253 1.00 0.00 C ATOM 1090 C TYR A 76 7.993 1.671 0.051 1.00 0.00 C ATOM 1091 O TYR A 76 6.847 2.119 0.088 1.00 0.00 O ATOM 1092 CB TYR A 76 7.693 -0.613 -0.925 1.00 0.00 C ATOM 1093 CG TYR A 76 7.628 -2.102 -0.675 1.00 0.00 C ATOM 1094 CD1 TYR A 76 8.783 -2.875 -0.659 1.00 0.00 C ATOM 1095 CD2 TYR A 76 6.412 -2.737 -0.454 1.00 0.00 C ATOM 1096 CE1 TYR A 76 8.728 -4.236 -0.432 1.00 0.00 C ATOM 1097 CE2 TYR A 76 6.348 -4.098 -0.225 1.00 0.00 C ATOM 1098 CZ TYR A 76 7.508 -4.843 -0.215 1.00 0.00 C ATOM 1099 OH TYR A 76 7.450 -6.199 0.013 1.00 0.00 O ATOM 0 H TYR A 76 6.661 -0.345 1.502 1.00 0.00 H new ATOM 0 HA TYR A 76 9.338 0.028 0.302 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.691 -0.247 -1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.307 -0.428 -1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 76 9.740 -2.403 -0.827 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.501 -2.157 -0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.635 -4.822 -0.424 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.394 -4.576 -0.055 1.00 0.00 H new ATOM 0 HH TYR A 76 6.518 -6.468 0.148 1.00 0.00 H new ATOM 1109 N VAL A 77 9.062 2.433 -0.162 1.00 0.00 N ATOM 1110 CA VAL A 77 8.945 3.871 -0.372 1.00 0.00 C ATOM 1111 C VAL A 77 8.899 4.208 -1.858 1.00 0.00 C ATOM 1112 O VAL A 77 9.602 3.600 -2.664 1.00 0.00 O ATOM 1113 CB VAL A 77 10.117 4.630 0.280 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.429 4.274 -0.403 1.00 0.00 C ATOM 1115 CG2 VAL A 77 9.871 6.130 0.233 1.00 0.00 C ATOM 0 H VAL A 77 10.018 2.078 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 77 8.012 4.185 0.097 1.00 0.00 H new ATOM 0 HB VAL A 77 10.186 4.329 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 77 12.245 4.819 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.607 3.203 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.375 4.545 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.708 6.651 0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.775 6.451 -0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.953 6.365 0.772 1.00 0.00 H new ATOM 1125 N ASN A 78 8.067 5.182 -2.212 1.00 0.00 N ATOM 1126 CA ASN A 78 7.929 5.601 -3.603 1.00 0.00 C ATOM 1127 C ASN A 78 7.504 4.430 -4.484 1.00 0.00 C ATOM 1128 O ASN A 78 7.797 4.401 -5.680 1.00 0.00 O ATOM 1129 CB ASN A 78 9.247 6.187 -4.114 1.00 0.00 C ATOM 1130 CG ASN A 78 9.433 7.635 -3.706 1.00 0.00 C ATOM 1131 OD1 ASN A 78 8.643 8.503 -4.080 1.00 0.00 O ATOM 1132 ND2 ASN A 78 10.480 7.904 -2.935 1.00 0.00 N ATOM 0 H ASN A 78 7.479 5.696 -1.556 1.00 0.00 H new ATOM 0 HA ASN A 78 7.156 6.368 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.078 5.595 -3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.278 6.112 -5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.655 8.861 -2.629 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.109 7.154 -2.649 1.00 0.00 H new ATOM 1139 N LEU A 79 6.812 3.467 -3.885 1.00 0.00 N ATOM 1140 CA LEU A 79 6.345 2.294 -4.615 1.00 0.00 C ATOM 1141 C LEU A 79 5.760 2.690 -5.967 1.00 0.00 C ATOM 1142 O LEU A 79 5.897 1.965 -6.953 1.00 0.00 O ATOM 1143 CB LEU A 79 5.298 1.541 -3.793 1.00 0.00 C ATOM 1144 CG LEU A 79 5.113 0.062 -4.134 1.00 0.00 C ATOM 1145 CD1 LEU A 79 6.376 -0.722 -3.813 1.00 0.00 C ATOM 1146 CD2 LEU A 79 3.921 -0.514 -3.384 1.00 0.00 C ATOM 0 H LEU A 79 6.562 3.476 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 79 7.200 1.641 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.567 1.619 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.339 2.044 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 79 4.919 -0.022 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.225 -1.772 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.208 -0.326 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.601 -0.630 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.805 -1.567 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.085 -0.417 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.018 0.029 -3.664 1.00 0.00 H new ATOM 1158 N THR A 80 5.107 3.848 -6.006 1.00 0.00 N ATOM 1159 CA THR A 80 4.501 4.342 -7.236 1.00 0.00 C ATOM 1160 C THR A 80 5.565 4.716 -8.262 1.00 0.00 C ATOM 1161 O THR A 80 5.496 4.305 -9.421 1.00 0.00 O ATOM 1162 CB THR A 80 3.609 5.569 -6.969 1.00 0.00 C ATOM 1163 OG1 THR A 80 4.365 6.591 -6.310 1.00 0.00 O ATOM 1164 CG2 THR A 80 2.408 5.189 -6.117 1.00 0.00 C ATOM 0 H THR A 80 4.985 4.461 -5.200 1.00 0.00 H new ATOM 0 HA THR A 80 3.886 3.534 -7.632 1.00 0.00 H new ATOM 0 HB THR A 80 3.250 5.945 -7.927 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.791 7.368 -6.146 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.793 6.071 -5.941 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.819 4.433 -6.636 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.751 4.790 -5.162 1.00 0.00 H new ATOM 1172 N LEU A 81 6.550 5.496 -7.829 1.00 0.00 N ATOM 1173 CA LEU A 81 7.630 5.924 -8.710 1.00 0.00 C ATOM 1174 C LEU A 81 8.257 4.731 -9.423 1.00 0.00 C ATOM 1175 O LEU A 81 8.252 4.654 -10.653 1.00 0.00 O ATOM 1176 CB LEU A 81 8.698 6.675 -7.912 1.00 0.00 C ATOM 1177 CG LEU A 81 9.791 7.360 -8.733 1.00 0.00 C ATOM 1178 CD1 LEU A 81 10.565 8.347 -7.873 1.00 0.00 C ATOM 1179 CD2 LEU A 81 10.730 6.327 -9.339 1.00 0.00 C ATOM 0 H LEU A 81 6.622 5.845 -6.873 1.00 0.00 H new ATOM 0 HA LEU A 81 7.209 6.592 -9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.203 7.430 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.172 5.972 -7.227 1.00 0.00 H new ATOM 0 HG LEU A 81 9.317 7.911 -9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.339 8.825 -8.474 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.884 9.106 -7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.028 7.818 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.501 6.833 -9.920 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.197 5.748 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.165 5.659 -9.990 1.00 0.00 H new ATOM 1191 N THR A 82 8.796 3.798 -8.644 1.00 0.00 N ATOM 1192 CA THR A 82 9.426 2.607 -9.200 1.00 0.00 C ATOM 1193 C THR A 82 8.432 1.791 -10.019 1.00 0.00 C ATOM 1194 O THR A 82 8.811 1.094 -10.959 1.00 0.00 O ATOM 1195 CB THR A 82 10.016 1.714 -8.093 1.00 0.00 C ATOM 1196 OG1 THR A 82 8.987 1.323 -7.178 1.00 0.00 O ATOM 1197 CG2 THR A 82 11.119 2.444 -7.341 1.00 0.00 C ATOM 0 H THR A 82 8.809 3.845 -7.625 1.00 0.00 H new ATOM 0 HA THR A 82 10.233 2.950 -9.848 1.00 0.00 H new ATOM 0 HB THR A 82 10.442 0.826 -8.561 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.370 0.754 -6.478 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.521 1.794 -6.564 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.915 2.715 -8.035 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.712 3.347 -6.885 1.00 0.00 H new ATOM 1205 N GLY A 83 7.156 1.883 -9.655 1.00 0.00 N ATOM 1206 CA GLY A 83 6.127 1.148 -10.367 1.00 0.00 C ATOM 1207 C GLY A 83 6.386 -0.346 -10.381 1.00 0.00 C ATOM 1208 O GLY A 83 6.112 -1.020 -11.374 1.00 0.00 O ATOM 0 H GLY A 83 6.817 2.453 -8.880 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.160 1.342 -9.903 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.068 1.513 -11.392 1.00 0.00 H new ATOM 1212 N GLU A 84 6.916 -0.863 -9.278 1.00 0.00 N ATOM 1213 CA GLU A 84 7.214 -2.286 -9.169 1.00 0.00 C ATOM 1214 C GLU A 84 6.091 -3.024 -8.445 1.00 0.00 C ATOM 1215 O GLU A 84 5.603 -2.591 -7.401 1.00 0.00 O ATOM 1216 CB GLU A 84 8.537 -2.498 -8.431 1.00 0.00 C ATOM 1217 CG GLU A 84 9.760 -2.133 -9.256 1.00 0.00 C ATOM 1218 CD GLU A 84 11.054 -2.607 -8.622 1.00 0.00 C ATOM 1219 OE1 GLU A 84 11.171 -2.530 -7.382 1.00 0.00 O ATOM 1220 OE2 GLU A 84 11.949 -3.057 -9.369 1.00 0.00 O ATOM 0 H GLU A 84 7.148 -0.318 -8.447 1.00 0.00 H new ATOM 0 HA GLU A 84 7.300 -2.691 -10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.534 -1.902 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.611 -3.543 -8.129 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.666 -2.569 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.798 -1.051 -9.384 1.00 0.00 H new ATOM 1227 N PRO A 85 5.671 -4.164 -9.012 1.00 0.00 N ATOM 1228 CA PRO A 85 4.601 -4.986 -8.438 1.00 0.00 C ATOM 1229 C PRO A 85 5.027 -5.671 -7.144 1.00 0.00 C ATOM 1230 O PRO A 85 6.190 -6.042 -6.982 1.00 0.00 O ATOM 1231 CB PRO A 85 4.328 -6.025 -9.529 1.00 0.00 C ATOM 1232 CG PRO A 85 5.604 -6.116 -10.293 1.00 0.00 C ATOM 1233 CD PRO A 85 6.208 -4.740 -10.256 1.00 0.00 C ATOM 0 HA PRO A 85 3.728 -4.390 -8.170 1.00 0.00 H new ATOM 0 HB2 PRO A 85 4.055 -6.988 -9.099 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.503 -5.717 -10.171 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.275 -6.849 -9.845 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.422 -6.435 -11.319 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.297 -4.780 -10.243 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.921 -4.152 -11.128 1.00 0.00 H new ATOM 1241 N ILE A 86 4.080 -5.837 -6.228 1.00 0.00 N ATOM 1242 CA ILE A 86 4.358 -6.479 -4.950 1.00 0.00 C ATOM 1243 C ILE A 86 4.131 -7.985 -5.030 1.00 0.00 C ATOM 1244 O ILE A 86 3.004 -8.461 -4.894 1.00 0.00 O ATOM 1245 CB ILE A 86 3.480 -5.899 -3.825 1.00 0.00 C ATOM 1246 CG1 ILE A 86 3.729 -4.396 -3.678 1.00 0.00 C ATOM 1247 CG2 ILE A 86 3.756 -6.618 -2.513 1.00 0.00 C ATOM 1248 CD1 ILE A 86 2.520 -3.628 -3.194 1.00 0.00 C ATOM 0 H ILE A 86 3.113 -5.536 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 86 5.405 -6.283 -4.721 1.00 0.00 H new ATOM 0 HB ILE A 86 2.433 -6.051 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.552 -4.239 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.044 -3.992 -4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.128 -6.197 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.533 -7.679 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.805 -6.494 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.769 -2.570 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.701 -3.755 -3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.217 -4.005 -2.217 1.00 0.00 H new ATOM 1260 N ARG A 87 5.210 -8.730 -5.250 1.00 0.00 N ATOM 1261 CA ARG A 87 5.129 -10.182 -5.348 1.00 0.00 C ATOM 1262 C ARG A 87 5.060 -10.817 -3.963 1.00 0.00 C ATOM 1263 O ARG A 87 5.879 -10.522 -3.091 1.00 0.00 O ATOM 1264 CB ARG A 87 6.334 -10.731 -6.113 1.00 0.00 C ATOM 1265 CG ARG A 87 6.339 -12.246 -6.236 1.00 0.00 C ATOM 1266 CD ARG A 87 7.205 -12.708 -7.398 1.00 0.00 C ATOM 1267 NE ARG A 87 8.625 -12.708 -7.057 1.00 0.00 N ATOM 1268 CZ ARG A 87 9.582 -13.083 -7.898 1.00 0.00 C ATOM 1269 NH1 ARG A 87 9.274 -13.485 -9.123 1.00 0.00 N ATOM 1270 NH2 ARG A 87 10.852 -13.057 -7.513 1.00 0.00 N ATOM 0 H ARG A 87 6.150 -8.351 -5.364 1.00 0.00 H new ATOM 0 HA ARG A 87 4.218 -10.434 -5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.350 -10.294 -7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.248 -10.413 -5.611 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.707 -12.686 -5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.319 -12.604 -6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.904 -13.712 -7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.038 -12.056 -8.256 1.00 0.00 H new ATOM 0 HE ARG A 87 8.897 -12.403 -6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.299 -13.507 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.012 -13.772 -9.766 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.093 -12.749 -6.571 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.587 -13.345 -8.159 1.00 0.00 H new ATOM 1284 N HIS A 88 4.077 -11.691 -3.766 1.00 0.00 N ATOM 1285 CA HIS A 88 3.902 -12.368 -2.486 1.00 0.00 C ATOM 1286 C HIS A 88 2.962 -13.562 -2.627 1.00 0.00 C ATOM 1287 O HIS A 88 1.906 -13.462 -3.253 1.00 0.00 O ATOM 1288 CB HIS A 88 3.355 -11.395 -1.441 1.00 0.00 C ATOM 1289 CG HIS A 88 3.509 -11.880 -0.032 1.00 0.00 C ATOM 1290 ND1 HIS A 88 2.483 -12.465 0.679 1.00 0.00 N ATOM 1291 CD2 HIS A 88 4.579 -11.866 0.797 1.00 0.00 C ATOM 1292 CE1 HIS A 88 2.914 -12.788 1.885 1.00 0.00 C ATOM 1293 NE2 HIS A 88 4.183 -12.436 1.982 1.00 0.00 N ATOM 0 H HIS A 88 3.391 -11.946 -4.476 1.00 0.00 H new ATOM 0 HA HIS A 88 4.876 -12.731 -2.159 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.866 -10.438 -1.545 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.299 -11.216 -1.641 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.538 -12.624 0.328 1.00 0.00 H new ATOM 0 HD2 HIS A 88 5.561 -11.479 0.569 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.328 -13.260 2.660 1.00 0.00 H new ATOM 1302 N ARG A 89 3.353 -14.689 -2.044 1.00 0.00 N ATOM 1303 CA ARG A 89 2.547 -15.902 -2.107 1.00 0.00 C ATOM 1304 C ARG A 89 2.145 -16.361 -0.708 1.00 0.00 C ATOM 1305 O ARG A 89 2.774 -15.989 0.283 1.00 0.00 O ATOM 1306 CB ARG A 89 3.317 -17.016 -2.819 1.00 0.00 C ATOM 1307 CG ARG A 89 4.721 -17.229 -2.276 1.00 0.00 C ATOM 1308 CD ARG A 89 5.304 -18.554 -2.743 1.00 0.00 C ATOM 1309 NE ARG A 89 5.811 -18.477 -4.110 1.00 0.00 N ATOM 1310 CZ ARG A 89 6.374 -19.500 -4.743 1.00 0.00 C ATOM 1311 NH1 ARG A 89 6.501 -20.671 -4.136 1.00 0.00 N ATOM 1312 NH2 ARG A 89 6.811 -19.352 -5.988 1.00 0.00 N ATOM 0 H ARG A 89 4.224 -14.788 -1.522 1.00 0.00 H new ATOM 0 HA ARG A 89 1.642 -15.677 -2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.757 -17.947 -2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.379 -16.781 -3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.366 -16.412 -2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.699 -17.204 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.111 -18.851 -2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.539 -19.328 -2.683 1.00 0.00 H new ATOM 0 HE ARG A 89 5.728 -17.589 -4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.166 -20.789 -3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.934 -21.455 -4.625 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.714 -18.452 -6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.243 -20.138 -6.474 1.00 0.00 H new ATOM 1326 N TYR A 90 1.094 -17.171 -0.636 1.00 0.00 N ATOM 1327 CA TYR A 90 0.607 -17.678 0.641 1.00 0.00 C ATOM 1328 C TYR A 90 0.819 -19.185 0.745 1.00 0.00 C ATOM 1329 O TYR A 90 0.748 -19.903 -0.252 1.00 0.00 O ATOM 1330 CB TYR A 90 -0.877 -17.347 0.812 1.00 0.00 C ATOM 1331 CG TYR A 90 -1.145 -15.881 1.065 1.00 0.00 C ATOM 1332 CD1 TYR A 90 -0.680 -15.257 2.216 1.00 0.00 C ATOM 1333 CD2 TYR A 90 -1.863 -15.119 0.151 1.00 0.00 C ATOM 1334 CE1 TYR A 90 -0.924 -13.918 2.451 1.00 0.00 C ATOM 1335 CE2 TYR A 90 -2.110 -13.778 0.377 1.00 0.00 C ATOM 1336 CZ TYR A 90 -1.639 -13.183 1.529 1.00 0.00 C ATOM 1337 OH TYR A 90 -1.883 -11.848 1.759 1.00 0.00 O ATOM 0 H TYR A 90 0.564 -17.490 -1.447 1.00 0.00 H new ATOM 0 HA TYR A 90 1.174 -17.194 1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.415 -17.657 -0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.277 -17.929 1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.118 -15.829 2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.234 -15.583 -0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.557 -13.449 3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.668 -13.199 -0.344 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.398 -11.476 1.013 1.00 0.00 H new ATOM 1347 N GLU A 91 1.078 -19.657 1.961 1.00 0.00 N ATOM 1348 CA GLU A 91 1.301 -21.079 2.196 1.00 0.00 C ATOM 1349 C GLU A 91 -0.024 -21.834 2.257 1.00 0.00 C ATOM 1350 O GLU A 91 -0.274 -22.736 1.457 1.00 0.00 O ATOM 1351 CB GLU A 91 2.080 -21.288 3.496 1.00 0.00 C ATOM 1352 CG GLU A 91 3.585 -21.160 3.331 1.00 0.00 C ATOM 1353 CD GLU A 91 4.298 -20.922 4.648 1.00 0.00 C ATOM 1354 OE1 GLU A 91 4.238 -21.810 5.524 1.00 0.00 O ATOM 1355 OE2 GLU A 91 4.916 -19.848 4.802 1.00 0.00 O ATOM 0 H GLU A 91 1.138 -19.076 2.797 1.00 0.00 H new ATOM 0 HA GLU A 91 1.886 -21.472 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 91 1.741 -20.561 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 91 1.849 -22.277 3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.975 -22.068 2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.803 -20.337 2.650 1.00 0.00 H new ATOM 1362 N SER A 92 -0.869 -21.459 3.212 1.00 0.00 N ATOM 1363 CA SER A 92 -2.166 -22.103 3.381 1.00 0.00 C ATOM 1364 C SER A 92 -3.287 -21.213 2.851 1.00 0.00 C ATOM 1365 O SER A 92 -3.180 -19.987 2.821 1.00 0.00 O ATOM 1366 CB SER A 92 -2.410 -22.426 4.856 1.00 0.00 C ATOM 1367 OG SER A 92 -2.755 -21.260 5.584 1.00 0.00 O ATOM 0 H SER A 92 -0.679 -20.712 3.880 1.00 0.00 H new ATOM 0 HA SER A 92 -2.161 -23.031 2.809 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.209 -23.162 4.943 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.515 -22.875 5.286 1.00 0.00 H new ATOM 0 HG SER A 92 -2.907 -21.494 6.523 1.00 0.00 H new ATOM 1373 N PRO A 93 -4.390 -21.845 2.422 1.00 0.00 N ATOM 1374 CA PRO A 93 -5.553 -21.132 1.886 1.00 0.00 C ATOM 1375 C PRO A 93 -6.300 -20.351 2.962 1.00 0.00 C ATOM 1376 O PRO A 93 -5.962 -20.421 4.142 1.00 0.00 O ATOM 1377 CB PRO A 93 -6.434 -22.255 1.332 1.00 0.00 C ATOM 1378 CG PRO A 93 -6.050 -23.460 2.119 1.00 0.00 C ATOM 1379 CD PRO A 93 -4.587 -23.305 2.428 1.00 0.00 C ATOM 0 HA PRO A 93 -5.268 -20.389 1.141 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.492 -22.024 1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.260 -22.406 0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.637 -23.531 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.234 -24.372 1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.332 -23.741 3.394 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.964 -23.798 1.681 1.00 0.00 H new ATOM 1387 N GLY A 94 -7.320 -19.606 2.545 1.00 0.00 N ATOM 1388 CA GLY A 94 -8.099 -18.822 3.485 1.00 0.00 C ATOM 1389 C GLY A 94 -8.075 -17.341 3.166 1.00 0.00 C ATOM 1390 O GLY A 94 -7.067 -16.818 2.690 1.00 0.00 O ATOM 0 H GLY A 94 -7.620 -19.532 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.130 -19.175 3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.713 -18.980 4.492 1.00 0.00 H new ATOM 1394 N ILE A 95 -9.188 -16.663 3.425 1.00 0.00 N ATOM 1395 CA ILE A 95 -9.290 -15.233 3.162 1.00 0.00 C ATOM 1396 C ILE A 95 -8.251 -14.451 3.958 1.00 0.00 C ATOM 1397 O ILE A 95 -8.062 -14.688 5.152 1.00 0.00 O ATOM 1398 CB ILE A 95 -10.692 -14.696 3.503 1.00 0.00 C ATOM 1399 CG1 ILE A 95 -11.723 -15.231 2.507 1.00 0.00 C ATOM 1400 CG2 ILE A 95 -10.691 -13.175 3.506 1.00 0.00 C ATOM 1401 CD1 ILE A 95 -12.144 -16.658 2.781 1.00 0.00 C ATOM 0 H ILE A 95 -10.032 -17.081 3.817 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.106 -15.095 2.096 1.00 0.00 H new ATOM 0 HB ILE A 95 -10.964 -15.042 4.500 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.604 -14.590 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.310 -15.170 1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.689 -12.811 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.982 -12.813 4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.401 -12.809 2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -12.876 -16.971 2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -11.273 -17.311 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.587 -16.722 3.775 1.00 0.00 H new ATOM 1413 N TYR A 96 -7.581 -13.518 3.291 1.00 0.00 N ATOM 1414 CA TYR A 96 -6.560 -12.701 3.937 1.00 0.00 C ATOM 1415 C TYR A 96 -6.955 -11.227 3.926 1.00 0.00 C ATOM 1416 O TYR A 96 -7.786 -10.802 3.124 1.00 0.00 O ATOM 1417 CB TYR A 96 -5.213 -12.885 3.237 1.00 0.00 C ATOM 1418 CG TYR A 96 -4.583 -14.238 3.482 1.00 0.00 C ATOM 1419 CD1 TYR A 96 -3.821 -14.476 4.619 1.00 0.00 C ATOM 1420 CD2 TYR A 96 -4.750 -15.278 2.576 1.00 0.00 C ATOM 1421 CE1 TYR A 96 -3.243 -15.710 4.846 1.00 0.00 C ATOM 1422 CE2 TYR A 96 -4.178 -16.516 2.795 1.00 0.00 C ATOM 1423 CZ TYR A 96 -3.425 -16.727 3.932 1.00 0.00 C ATOM 1424 OH TYR A 96 -2.852 -17.958 4.154 1.00 0.00 O ATOM 0 H TYR A 96 -7.726 -13.308 2.303 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.471 -13.027 4.973 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.348 -12.745 2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.528 -12.108 3.576 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.678 -13.683 5.338 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -5.338 -15.116 1.685 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.652 -15.878 5.734 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -4.319 -17.314 2.081 1.00 0.00 H new ATOM 0 HH TYR A 96 -3.227 -18.611 3.527 1.00 0.00 H new ATOM 1434 N ARG A 97 -6.351 -10.453 4.822 1.00 0.00 N ATOM 1435 CA ARG A 97 -6.638 -9.027 4.917 1.00 0.00 C ATOM 1436 C ARG A 97 -5.402 -8.200 4.577 1.00 0.00 C ATOM 1437 O ARG A 97 -4.457 -8.125 5.363 1.00 0.00 O ATOM 1438 CB ARG A 97 -7.130 -8.677 6.322 1.00 0.00 C ATOM 1439 CG ARG A 97 -8.636 -8.793 6.488 1.00 0.00 C ATOM 1440 CD ARG A 97 -9.122 -8.034 7.713 1.00 0.00 C ATOM 1441 NE ARG A 97 -9.103 -8.864 8.914 1.00 0.00 N ATOM 1442 CZ ARG A 97 -9.479 -8.432 10.112 1.00 0.00 C ATOM 1443 NH1 ARG A 97 -9.901 -7.185 10.268 1.00 0.00 N ATOM 1444 NH2 ARG A 97 -9.434 -9.248 11.158 1.00 0.00 N ATOM 0 H ARG A 97 -5.660 -10.790 5.492 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.421 -8.790 4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.642 -9.334 7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.824 -7.658 6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -9.132 -8.405 5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.914 -9.843 6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.494 -7.157 7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -10.136 -7.673 7.538 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.783 -9.829 8.828 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.937 -6.555 9.467 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.189 -6.856 11.189 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.110 -10.208 11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.723 -8.915 12.078 1.00 0.00 H new ATOM 1458 N VAL A 98 -5.415 -7.580 3.401 1.00 0.00 N ATOM 1459 CA VAL A 98 -4.296 -6.757 2.958 1.00 0.00 C ATOM 1460 C VAL A 98 -4.603 -5.274 3.129 1.00 0.00 C ATOM 1461 O VAL A 98 -5.707 -4.819 2.833 1.00 0.00 O ATOM 1462 CB VAL A 98 -3.948 -7.031 1.483 1.00 0.00 C ATOM 1463 CG1 VAL A 98 -2.944 -6.010 0.972 1.00 0.00 C ATOM 1464 CG2 VAL A 98 -3.414 -8.446 1.315 1.00 0.00 C ATOM 0 H VAL A 98 -6.188 -7.632 2.738 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.442 -7.022 3.581 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.858 -6.938 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.711 -6.220 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.368 -5.009 1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.032 -6.067 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.173 -8.622 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.515 -8.570 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.170 -9.161 1.639 1.00 0.00 H new ATOM 1474 N SER A 99 -3.617 -4.523 3.610 1.00 0.00 N ATOM 1475 CA SER A 99 -3.781 -3.090 3.824 1.00 0.00 C ATOM 1476 C SER A 99 -2.582 -2.318 3.282 1.00 0.00 C ATOM 1477 O SER A 99 -1.555 -2.904 2.939 1.00 0.00 O ATOM 1478 CB SER A 99 -3.961 -2.794 5.314 1.00 0.00 C ATOM 1479 OG SER A 99 -2.710 -2.597 5.950 1.00 0.00 O ATOM 0 H SER A 99 -2.696 -4.884 3.859 1.00 0.00 H new ATOM 0 HA SER A 99 -4.672 -2.767 3.285 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.580 -1.906 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.489 -3.620 5.791 1.00 0.00 H new ATOM 0 HG SER A 99 -2.853 -2.408 6.901 1.00 0.00 H new ATOM 1485 N VAL A 100 -2.721 -0.999 3.206 1.00 0.00 N ATOM 1486 CA VAL A 100 -1.651 -0.145 2.707 1.00 0.00 C ATOM 1487 C VAL A 100 -1.747 1.259 3.294 1.00 0.00 C ATOM 1488 O VAL A 100 -2.613 2.045 2.911 1.00 0.00 O ATOM 1489 CB VAL A 100 -1.680 -0.049 1.170 1.00 0.00 C ATOM 1490 CG1 VAL A 100 -2.930 0.683 0.704 1.00 0.00 C ATOM 1491 CG2 VAL A 100 -0.426 0.641 0.655 1.00 0.00 C ATOM 0 H VAL A 100 -3.565 -0.498 3.484 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.712 -0.602 3.018 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.705 -1.059 0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.933 0.741 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.815 0.143 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.939 1.690 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.464 0.700 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.367 1.647 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.453 0.071 0.957 1.00 0.00 H new ATOM 1501 N ARG A 101 -0.853 1.567 4.227 1.00 0.00 N ATOM 1502 CA ARG A 101 -0.837 2.876 4.869 1.00 0.00 C ATOM 1503 C ARG A 101 0.212 3.782 4.231 1.00 0.00 C ATOM 1504 O ARG A 101 1.192 3.306 3.659 1.00 0.00 O ATOM 1505 CB ARG A 101 -0.558 2.730 6.366 1.00 0.00 C ATOM 1506 CG ARG A 101 -1.057 3.902 7.196 1.00 0.00 C ATOM 1507 CD ARG A 101 -0.270 4.045 8.489 1.00 0.00 C ATOM 1508 NE ARG A 101 -1.046 4.711 9.531 1.00 0.00 N ATOM 1509 CZ ARG A 101 -2.130 4.184 10.090 1.00 0.00 C ATOM 1510 NH1 ARG A 101 -2.564 2.991 9.708 1.00 0.00 N ATOM 1511 NH2 ARG A 101 -2.783 4.852 11.033 1.00 0.00 N ATOM 0 H ARG A 101 -0.130 0.928 4.556 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.817 3.332 4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -1.027 1.815 6.727 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.516 2.619 6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.975 4.821 6.616 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -2.113 3.763 7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.035 3.059 8.839 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.641 4.611 8.298 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.739 5.631 9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.065 2.475 8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.396 2.589 10.139 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.453 5.771 11.329 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.615 4.447 11.462 1.00 0.00 H new ATOM 1525 N ALA A 102 -0.003 5.089 4.333 1.00 0.00 N ATOM 1526 CA ALA A 102 0.924 6.062 3.768 1.00 0.00 C ATOM 1527 C ALA A 102 0.852 7.389 4.516 1.00 0.00 C ATOM 1528 O ALA A 102 -0.225 7.825 4.921 1.00 0.00 O ATOM 1529 CB ALA A 102 0.633 6.271 2.289 1.00 0.00 C ATOM 0 H ALA A 102 -0.811 5.499 4.802 1.00 0.00 H new ATOM 0 HA ALA A 102 1.935 5.669 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.333 7.000 1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.744 5.325 1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.386 6.638 2.167 1.00 0.00 H new ATOM 1535 N GLU A 103 2.005 8.025 4.696 1.00 0.00 N ATOM 1536 CA GLU A 103 2.072 9.301 5.398 1.00 0.00 C ATOM 1537 C GLU A 103 3.226 10.151 4.874 1.00 0.00 C ATOM 1538 O GLU A 103 4.393 9.847 5.115 1.00 0.00 O ATOM 1539 CB GLU A 103 2.233 9.074 6.902 1.00 0.00 C ATOM 1540 CG GLU A 103 2.311 10.360 7.708 1.00 0.00 C ATOM 1541 CD GLU A 103 2.187 10.122 9.200 1.00 0.00 C ATOM 1542 OE1 GLU A 103 3.124 9.545 9.790 1.00 0.00 O ATOM 1543 OE2 GLU A 103 1.152 10.514 9.778 1.00 0.00 O ATOM 0 H GLU A 103 2.905 7.678 4.365 1.00 0.00 H new ATOM 0 HA GLU A 103 1.139 9.835 5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.394 8.480 7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.136 8.490 7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.259 10.857 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.519 11.036 7.385 1.00 0.00 H new ATOM 1550 N ASN A 104 2.889 11.217 4.155 1.00 0.00 N ATOM 1551 CA ASN A 104 3.897 12.111 3.596 1.00 0.00 C ATOM 1552 C ASN A 104 3.798 13.500 4.219 1.00 0.00 C ATOM 1553 O ASN A 104 2.776 13.859 4.805 1.00 0.00 O ATOM 1554 CB ASN A 104 3.736 12.208 2.077 1.00 0.00 C ATOM 1555 CG ASN A 104 2.316 12.547 1.667 1.00 0.00 C ATOM 1556 OD1 ASN A 104 1.376 11.815 1.979 1.00 0.00 O ATOM 1557 ND2 ASN A 104 2.153 13.662 0.964 1.00 0.00 N ATOM 0 H ASN A 104 1.927 11.483 3.946 1.00 0.00 H new ATOM 0 HA ASN A 104 4.880 11.699 3.825 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.414 12.968 1.690 1.00 0.00 H new ATOM 0 HB3 ASN A 104 4.026 11.261 1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 104 1.220 13.942 0.660 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.961 14.239 0.728 1.00 0.00 H new ATOM 1564 N THR A 105 4.867 14.279 4.087 1.00 0.00 N ATOM 1565 CA THR A 105 4.902 15.628 4.637 1.00 0.00 C ATOM 1566 C THR A 105 3.564 16.334 4.447 1.00 0.00 C ATOM 1567 O THR A 105 3.034 16.941 5.377 1.00 0.00 O ATOM 1568 CB THR A 105 6.012 16.473 3.984 1.00 0.00 C ATOM 1569 OG1 THR A 105 5.811 17.860 4.278 1.00 0.00 O ATOM 1570 CG2 THR A 105 6.032 16.267 2.476 1.00 0.00 C ATOM 0 H THR A 105 5.720 13.998 3.604 1.00 0.00 H new ATOM 0 HA THR A 105 5.110 15.529 5.702 1.00 0.00 H new ATOM 0 HB THR A 105 6.970 16.151 4.392 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.522 18.389 3.860 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.824 16.874 2.036 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.215 15.216 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.071 16.564 2.055 1.00 0.00 H new ATOM 1578 N ALA A 106 3.022 16.249 3.236 1.00 0.00 N ATOM 1579 CA ALA A 106 1.744 16.878 2.925 1.00 0.00 C ATOM 1580 C ALA A 106 0.624 16.294 3.779 1.00 0.00 C ATOM 1581 O ALA A 106 0.040 16.986 4.612 1.00 0.00 O ATOM 1582 CB ALA A 106 1.423 16.717 1.447 1.00 0.00 C ATOM 0 H ALA A 106 3.448 15.751 2.455 1.00 0.00 H new ATOM 0 HA ALA A 106 1.824 17.941 3.154 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.466 17.191 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.205 17.187 0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.367 15.657 1.200 1.00 0.00 H new ATOM 1588 N GLY A 107 0.327 15.016 3.565 1.00 0.00 N ATOM 1589 CA GLY A 107 -0.724 14.361 4.321 1.00 0.00 C ATOM 1590 C GLY A 107 -0.480 12.874 4.485 1.00 0.00 C ATOM 1591 O GLY A 107 0.647 12.446 4.739 1.00 0.00 O ATOM 0 H GLY A 107 0.796 14.422 2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.802 14.824 5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.679 14.516 3.819 1.00 0.00 H new ATOM 1595 N HIS A 108 -1.538 12.083 4.341 1.00 0.00 N ATOM 1596 CA HIS A 108 -1.434 10.634 4.476 1.00 0.00 C ATOM 1597 C HIS A 108 -2.599 9.938 3.778 1.00 0.00 C ATOM 1598 O HIS A 108 -3.610 10.566 3.461 1.00 0.00 O ATOM 1599 CB HIS A 108 -1.399 10.239 5.952 1.00 0.00 C ATOM 1600 CG HIS A 108 -2.410 10.960 6.789 1.00 0.00 C ATOM 1601 ND1 HIS A 108 -3.765 10.914 6.539 1.00 0.00 N ATOM 1602 CD2 HIS A 108 -2.257 11.747 7.880 1.00 0.00 C ATOM 1603 CE1 HIS A 108 -4.402 11.643 7.438 1.00 0.00 C ATOM 1604 NE2 HIS A 108 -3.510 12.159 8.264 1.00 0.00 N ATOM 0 H HIS A 108 -2.477 12.421 4.131 1.00 0.00 H new ATOM 0 HA HIS A 108 -0.506 10.316 4.001 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -1.569 9.166 6.036 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -0.403 10.437 6.349 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.324 12.003 8.359 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -5.471 11.792 7.489 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.718 12.765 9.058 1.00 0.00 H new ATOM 1613 N ASP A 109 -2.451 8.640 3.542 1.00 0.00 N ATOM 1614 CA ASP A 109 -3.491 7.859 2.882 1.00 0.00 C ATOM 1615 C ASP A 109 -3.466 6.409 3.358 1.00 0.00 C ATOM 1616 O ASP A 109 -2.449 5.927 3.854 1.00 0.00 O ATOM 1617 CB ASP A 109 -3.314 7.913 1.364 1.00 0.00 C ATOM 1618 CG ASP A 109 -2.019 7.269 0.909 1.00 0.00 C ATOM 1619 OD1 ASP A 109 -1.879 6.039 1.069 1.00 0.00 O ATOM 1620 OD2 ASP A 109 -1.145 7.996 0.391 1.00 0.00 O ATOM 0 H ASP A 109 -1.621 8.106 3.798 1.00 0.00 H new ATOM 0 HA ASP A 109 -4.457 8.292 3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.154 7.410 0.885 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.335 8.952 1.035 1.00 0.00 H new ATOM 1625 N GLU A 110 -4.594 5.722 3.204 1.00 0.00 N ATOM 1626 CA GLU A 110 -4.701 4.328 3.620 1.00 0.00 C ATOM 1627 C GLU A 110 -5.777 3.602 2.818 1.00 0.00 C ATOM 1628 O GLU A 110 -6.849 4.148 2.562 1.00 0.00 O ATOM 1629 CB GLU A 110 -5.018 4.242 5.115 1.00 0.00 C ATOM 1630 CG GLU A 110 -4.836 2.851 5.697 1.00 0.00 C ATOM 1631 CD GLU A 110 -5.367 2.736 7.112 1.00 0.00 C ATOM 1632 OE1 GLU A 110 -4.879 3.476 7.992 1.00 0.00 O ATOM 1633 OE2 GLU A 110 -6.272 1.905 7.340 1.00 0.00 O ATOM 0 H GLU A 110 -5.445 6.107 2.795 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.743 3.844 3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -4.377 4.939 5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.047 4.563 5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.345 2.126 5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.777 2.594 5.688 1.00 0.00 H new ATOM 1640 N ALA A 111 -5.481 2.368 2.424 1.00 0.00 N ATOM 1641 CA ALA A 111 -6.422 1.566 1.652 1.00 0.00 C ATOM 1642 C ALA A 111 -6.520 0.149 2.208 1.00 0.00 C ATOM 1643 O ALA A 111 -5.714 -0.258 3.045 1.00 0.00 O ATOM 1644 CB ALA A 111 -6.010 1.533 0.188 1.00 0.00 C ATOM 0 H ALA A 111 -4.597 1.902 2.627 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.406 2.028 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.722 0.931 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.998 2.548 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.015 1.097 0.100 1.00 0.00 H new ATOM 1650 N VAL A 112 -7.514 -0.598 1.738 1.00 0.00 N ATOM 1651 CA VAL A 112 -7.717 -1.970 2.187 1.00 0.00 C ATOM 1652 C VAL A 112 -8.146 -2.869 1.033 1.00 0.00 C ATOM 1653 O VAL A 112 -8.844 -2.431 0.117 1.00 0.00 O ATOM 1654 CB VAL A 112 -8.777 -2.044 3.302 1.00 0.00 C ATOM 1655 CG1 VAL A 112 -8.908 -3.468 3.821 1.00 0.00 C ATOM 1656 CG2 VAL A 112 -8.430 -1.086 4.431 1.00 0.00 C ATOM 0 H VAL A 112 -8.191 -0.276 1.046 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.762 -2.319 2.579 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.739 -1.745 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.661 -3.501 4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.207 -4.126 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.950 -3.799 4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -9.190 -1.151 5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.459 -1.352 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -8.393 -0.067 4.045 1.00 0.00 H new ATOM 1666 N LEU A 113 -7.724 -4.128 1.082 1.00 0.00 N ATOM 1667 CA LEU A 113 -8.065 -5.090 0.040 1.00 0.00 C ATOM 1668 C LEU A 113 -8.149 -6.503 0.610 1.00 0.00 C ATOM 1669 O LEU A 113 -7.259 -6.943 1.339 1.00 0.00 O ATOM 1670 CB LEU A 113 -7.029 -5.042 -1.084 1.00 0.00 C ATOM 1671 CG LEU A 113 -7.503 -5.530 -2.454 1.00 0.00 C ATOM 1672 CD1 LEU A 113 -6.701 -4.867 -3.563 1.00 0.00 C ATOM 1673 CD2 LEU A 113 -7.395 -7.045 -2.547 1.00 0.00 C ATOM 0 H LEU A 113 -7.145 -4.506 1.832 1.00 0.00 H new ATOM 0 HA LEU A 113 -9.042 -4.822 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.681 -4.014 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.169 -5.641 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 113 -8.550 -5.253 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -7.052 -5.226 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.830 -3.786 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.646 -5.113 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -7.736 -7.375 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.357 -7.345 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -8.014 -7.502 -1.775 1.00 0.00 H new ATOM 1685 N PHE A 114 -9.222 -7.209 0.272 1.00 0.00 N ATOM 1686 CA PHE A 114 -9.421 -8.573 0.748 1.00 0.00 C ATOM 1687 C PHE A 114 -9.042 -9.586 -0.328 1.00 0.00 C ATOM 1688 O PHE A 114 -9.397 -9.430 -1.496 1.00 0.00 O ATOM 1689 CB PHE A 114 -10.877 -8.781 1.170 1.00 0.00 C ATOM 1690 CG PHE A 114 -11.142 -8.427 2.605 1.00 0.00 C ATOM 1691 CD1 PHE A 114 -11.195 -7.103 3.008 1.00 0.00 C ATOM 1692 CD2 PHE A 114 -11.338 -9.420 3.552 1.00 0.00 C ATOM 1693 CE1 PHE A 114 -11.439 -6.774 4.328 1.00 0.00 C ATOM 1694 CE2 PHE A 114 -11.583 -9.097 4.873 1.00 0.00 C ATOM 1695 CZ PHE A 114 -11.632 -7.773 5.262 1.00 0.00 C ATOM 0 H PHE A 114 -9.968 -6.859 -0.330 1.00 0.00 H new ATOM 0 HA PHE A 114 -8.774 -8.728 1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -11.522 -8.178 0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -11.149 -9.824 1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -11.044 -6.318 2.282 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -11.299 -10.457 3.254 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -11.479 -5.737 4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -11.736 -9.880 5.601 1.00 0.00 H new ATOM 0 HZ PHE A 114 -11.821 -7.519 6.295 1.00 0.00 H new ATOM 1705 N VAL A 115 -8.317 -10.625 0.075 1.00 0.00 N ATOM 1706 CA VAL A 115 -7.889 -11.665 -0.853 1.00 0.00 C ATOM 1707 C VAL A 115 -8.477 -13.018 -0.471 1.00 0.00 C ATOM 1708 O VAL A 115 -8.184 -13.553 0.598 1.00 0.00 O ATOM 1709 CB VAL A 115 -6.353 -11.779 -0.899 1.00 0.00 C ATOM 1710 CG1 VAL A 115 -5.934 -13.084 -1.557 1.00 0.00 C ATOM 1711 CG2 VAL A 115 -5.752 -10.587 -1.628 1.00 0.00 C ATOM 0 H VAL A 115 -8.014 -10.769 1.038 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.254 -11.379 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.975 -11.778 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.846 -13.147 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.334 -13.923 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.321 -13.119 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.667 -10.684 -1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.135 -10.553 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.023 -9.668 -1.108 1.00 0.00 H new ATOM 1721 N GLN A 116 -9.307 -13.567 -1.352 1.00 0.00 N ATOM 1722 CA GLN A 116 -9.936 -14.859 -1.107 1.00 0.00 C ATOM 1723 C GLN A 116 -9.212 -15.969 -1.860 1.00 0.00 C ATOM 1724 O GLN A 116 -9.359 -16.109 -3.074 1.00 0.00 O ATOM 1725 CB GLN A 116 -11.408 -14.820 -1.523 1.00 0.00 C ATOM 1726 CG GLN A 116 -12.002 -16.194 -1.787 1.00 0.00 C ATOM 1727 CD GLN A 116 -13.517 -16.178 -1.825 1.00 0.00 C ATOM 1728 OE1 GLN A 116 -14.121 -15.961 -2.876 1.00 0.00 O ATOM 1729 NE2 GLN A 116 -14.141 -16.407 -0.675 1.00 0.00 N ATOM 0 H GLN A 116 -9.559 -13.137 -2.242 1.00 0.00 H new ATOM 0 HA GLN A 116 -9.873 -15.069 -0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -11.985 -14.328 -0.740 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -11.507 -14.212 -2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -11.623 -16.573 -2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -11.669 -16.884 -1.012 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -13.601 -16.582 0.172 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -15.160 -16.408 -0.639 1.00 0.00 H new ATOM 1738 N VAL A 117 -8.427 -16.757 -1.132 1.00 0.00 N ATOM 1739 CA VAL A 117 -7.679 -17.856 -1.731 1.00 0.00 C ATOM 1740 C VAL A 117 -8.409 -19.182 -1.547 1.00 0.00 C ATOM 1741 O VAL A 117 -8.477 -19.717 -0.441 1.00 0.00 O ATOM 1742 CB VAL A 117 -6.268 -17.972 -1.124 1.00 0.00 C ATOM 1743 CG1 VAL A 117 -6.312 -17.735 0.378 1.00 0.00 C ATOM 1744 CG2 VAL A 117 -5.662 -19.330 -1.441 1.00 0.00 C ATOM 0 H VAL A 117 -8.293 -16.655 -0.126 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.592 -17.636 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.635 -17.205 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.306 -17.821 0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -6.702 -16.737 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.960 -18.477 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -4.665 -19.394 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -6.292 -20.116 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -5.594 -19.455 -2.522 1.00 0.00 H new ATOM 1754 N SER A 118 -8.955 -19.707 -2.640 1.00 0.00 N ATOM 1755 CA SER A 118 -9.684 -20.969 -2.599 1.00 0.00 C ATOM 1756 C SER A 118 -8.740 -22.132 -2.306 1.00 0.00 C ATOM 1757 O SER A 118 -7.624 -22.185 -2.821 1.00 0.00 O ATOM 1758 CB SER A 118 -10.408 -21.207 -3.926 1.00 0.00 C ATOM 1759 OG SER A 118 -9.485 -21.343 -4.993 1.00 0.00 O ATOM 0 H SER A 118 -8.906 -19.278 -3.564 1.00 0.00 H new ATOM 0 HA SER A 118 -10.420 -20.910 -1.797 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.020 -22.106 -3.854 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.084 -20.376 -4.129 1.00 0.00 H new ATOM 0 HG SER A 118 -9.972 -21.496 -5.829 1.00 0.00 H new ATOM 1765 N GLY A 119 -9.199 -23.062 -1.474 1.00 0.00 N ATOM 1766 CA GLY A 119 -8.384 -24.212 -1.126 1.00 0.00 C ATOM 1767 C GLY A 119 -8.895 -25.495 -1.751 1.00 0.00 C ATOM 1768 O GLY A 119 -10.039 -25.581 -2.197 1.00 0.00 O ATOM 0 H GLY A 119 -10.119 -23.040 -1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -7.358 -24.037 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.362 -24.323 -0.042 1.00 0.00 H new