USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 413 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 40 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 41 ASN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Set 2.1: A 25 THR OG1 : rot -73:sc= -0.668 USER MOD Set 2.2: A 28 GLN : amide:sc= 0.91 K(o=0.24,f=-2.2) USER MOD Single : A 23 THR OG1 : rot -31:sc= 0.0858 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.531 X(o=-0.53,f=-0.53) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.0488 (180deg=-0.303) USER MOD Single : A 36 TYR OH : rot 110:sc= -0.0134 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 161:sc= -2.4! (180deg=-3.87!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.115 X(o=-0.11,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= -0.0847 (180deg=-0.0847) USER MOD Single : A 62 GLN : amide:sc= -0.155 X(o=-0.15,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -2.52! C(o=-2.5!,f=-2.9!) USER MOD Single : A 68 THR OG1 : rot 71:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 23 10.303 -7.234 -9.941 1.00 0.00 N ATOM 302 CA THR A 23 9.529 -6.041 -10.260 1.00 0.00 C ATOM 303 C THR A 23 8.135 -6.109 -9.646 1.00 0.00 C ATOM 304 O THR A 23 7.786 -7.087 -8.984 1.00 0.00 O ATOM 305 CB THR A 23 9.398 -5.846 -11.782 1.00 0.00 C ATOM 306 OG1 THR A 23 8.803 -7.006 -12.375 1.00 0.00 O ATOM 307 CG2 THR A 23 10.757 -5.589 -12.414 1.00 0.00 C ATOM 0 HA THR A 23 10.068 -5.193 -9.838 1.00 0.00 H new ATOM 0 HB THR A 23 8.762 -4.979 -11.961 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.057 -7.802 -11.863 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.639 -5.454 -13.489 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.195 -4.689 -11.982 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.413 -6.439 -12.225 1.00 0.00 H new ATOM 315 N ILE A 24 7.343 -5.066 -9.870 1.00 0.00 N ATOM 316 CA ILE A 24 5.987 -5.010 -9.340 1.00 0.00 C ATOM 317 C ILE A 24 4.963 -4.873 -10.462 1.00 0.00 C ATOM 318 O ILE A 24 5.268 -4.353 -11.536 1.00 0.00 O ATOM 319 CB ILE A 24 5.815 -3.836 -8.357 1.00 0.00 C ATOM 320 CG1 ILE A 24 6.878 -3.902 -7.259 1.00 0.00 C ATOM 321 CG2 ILE A 24 4.419 -3.852 -7.752 1.00 0.00 C ATOM 322 CD1 ILE A 24 6.671 -2.888 -6.156 1.00 0.00 C ATOM 0 H ILE A 24 7.617 -4.249 -10.415 1.00 0.00 H new ATOM 0 HA ILE A 24 5.817 -5.946 -8.809 1.00 0.00 H new ATOM 0 HB ILE A 24 5.942 -2.902 -8.904 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.880 -4.902 -6.826 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.860 -3.746 -7.705 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.313 -3.017 -7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.677 -3.762 -8.546 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.265 -4.789 -7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.461 -2.993 -5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.699 -1.883 -6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.704 -3.057 -5.683 1.00 0.00 H new ATOM 334 N THR A 25 3.746 -5.342 -10.205 1.00 0.00 N ATOM 335 CA THR A 25 2.676 -5.272 -11.193 1.00 0.00 C ATOM 336 C THR A 25 1.654 -4.204 -10.821 1.00 0.00 C ATOM 337 O THR A 25 1.482 -3.855 -9.653 1.00 0.00 O ATOM 338 CB THR A 25 1.957 -6.626 -11.338 1.00 0.00 C ATOM 339 OG1 THR A 25 1.561 -7.112 -10.051 1.00 0.00 O ATOM 340 CG2 THR A 25 2.857 -7.647 -12.016 1.00 0.00 C ATOM 0 H THR A 25 3.477 -5.774 -9.321 1.00 0.00 H new ATOM 0 HA THR A 25 3.140 -5.011 -12.144 1.00 0.00 H new ATOM 0 HB THR A 25 1.072 -6.477 -11.957 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.350 -7.427 -9.563 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.327 -8.595 -12.107 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.132 -7.288 -13.008 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.758 -7.791 -11.420 1.00 0.00 H new ATOM 348 N PRO A 26 0.958 -3.671 -11.836 1.00 0.00 N ATOM 349 CA PRO A 26 -0.060 -2.635 -11.640 1.00 0.00 C ATOM 350 C PRO A 26 -1.304 -3.170 -10.940 1.00 0.00 C ATOM 351 O PRO A 26 -2.140 -2.400 -10.467 1.00 0.00 O ATOM 352 CB PRO A 26 -0.397 -2.194 -13.067 1.00 0.00 C ATOM 353 CG PRO A 26 -0.062 -3.372 -13.916 1.00 0.00 C ATOM 354 CD PRO A 26 1.112 -4.039 -13.254 1.00 0.00 C ATOM 0 HA PRO A 26 0.299 -1.827 -11.003 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.449 -1.925 -13.160 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.183 -1.318 -13.358 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.909 -4.054 -13.988 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.186 -3.063 -14.931 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.091 -5.120 -13.393 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.058 -3.683 -13.661 1.00 0.00 H new ATOM 362 N GLU A 27 -1.419 -4.493 -10.876 1.00 0.00 N ATOM 363 CA GLU A 27 -2.562 -5.129 -10.232 1.00 0.00 C ATOM 364 C GLU A 27 -2.235 -5.505 -8.790 1.00 0.00 C ATOM 365 O GLU A 27 -3.132 -5.715 -7.975 1.00 0.00 O ATOM 366 CB GLU A 27 -2.986 -6.376 -11.013 1.00 0.00 C ATOM 367 CG GLU A 27 -3.361 -6.091 -12.457 1.00 0.00 C ATOM 368 CD GLU A 27 -3.903 -7.315 -13.171 1.00 0.00 C ATOM 369 OE1 GLU A 27 -3.105 -8.223 -13.481 1.00 0.00 O ATOM 370 OE2 GLU A 27 -5.126 -7.363 -13.419 1.00 0.00 O ATOM 0 H GLU A 27 -0.735 -5.144 -11.262 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.386 -4.416 -10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.172 -7.101 -10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.836 -6.838 -10.510 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.108 -5.298 -12.485 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.485 -5.722 -12.990 1.00 0.00 H new ATOM 377 N GLN A 28 -0.944 -5.589 -8.485 1.00 0.00 N ATOM 378 CA GLN A 28 -0.499 -5.941 -7.142 1.00 0.00 C ATOM 379 C GLN A 28 -0.415 -4.704 -6.254 1.00 0.00 C ATOM 380 O GLN A 28 -0.831 -4.729 -5.095 1.00 0.00 O ATOM 381 CB GLN A 28 0.863 -6.636 -7.199 1.00 0.00 C ATOM 382 CG GLN A 28 0.777 -8.119 -7.520 1.00 0.00 C ATOM 383 CD GLN A 28 2.140 -8.775 -7.618 1.00 0.00 C ATOM 384 OE1 GLN A 28 2.870 -8.574 -8.589 1.00 0.00 O ATOM 385 NE2 GLN A 28 2.490 -9.566 -6.611 1.00 0.00 N ATOM 0 H GLN A 28 -0.189 -5.418 -9.149 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.231 -6.625 -6.712 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.481 -6.145 -7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.367 -6.509 -6.241 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.191 -8.620 -6.749 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.245 -8.253 -8.462 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.854 -9.704 -5.826 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.395 -10.036 -6.622 1.00 0.00 H new ATOM 394 N LEU A 29 0.126 -3.623 -6.805 1.00 0.00 N ATOM 395 CA LEU A 29 0.264 -2.374 -6.063 1.00 0.00 C ATOM 396 C LEU A 29 -1.026 -2.033 -5.325 1.00 0.00 C ATOM 397 O LEU A 29 -1.020 -1.814 -4.115 1.00 0.00 O ATOM 398 CB LEU A 29 0.641 -1.234 -7.011 1.00 0.00 C ATOM 399 CG LEU A 29 2.134 -1.053 -7.284 1.00 0.00 C ATOM 400 CD1 LEU A 29 2.354 -0.413 -8.646 1.00 0.00 C ATOM 401 CD2 LEU A 29 2.778 -0.215 -6.189 1.00 0.00 C ATOM 0 H LEU A 29 0.476 -3.586 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 29 1.057 -2.503 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.136 -1.398 -7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.252 -0.303 -6.600 1.00 0.00 H new ATOM 0 HG LEU A 29 2.605 -2.036 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.423 -0.292 -8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.928 -1.051 -9.421 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.869 0.563 -8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.841 -0.096 -6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.303 0.766 -6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.652 -0.713 -5.228 1.00 0.00 H new ATOM 413 N GLU A 30 -2.131 -1.991 -6.064 1.00 0.00 N ATOM 414 CA GLU A 30 -3.429 -1.678 -5.478 1.00 0.00 C ATOM 415 C GLU A 30 -3.534 -2.231 -4.060 1.00 0.00 C ATOM 416 O GLU A 30 -3.777 -1.488 -3.109 1.00 0.00 O ATOM 417 CB GLU A 30 -4.555 -2.247 -6.344 1.00 0.00 C ATOM 418 CG GLU A 30 -4.325 -2.067 -7.836 1.00 0.00 C ATOM 419 CD GLU A 30 -5.619 -2.035 -8.625 1.00 0.00 C ATOM 420 OE1 GLU A 30 -6.380 -1.055 -8.477 1.00 0.00 O ATOM 421 OE2 GLU A 30 -5.872 -2.989 -9.391 1.00 0.00 O ATOM 0 H GLU A 30 -2.153 -2.170 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.527 -0.593 -5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.667 -3.309 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.493 -1.765 -6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.777 -1.140 -8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.699 -2.880 -8.204 1.00 0.00 H new ATOM 428 N ILE A 31 -3.349 -3.541 -3.928 1.00 0.00 N ATOM 429 CA ILE A 31 -3.423 -4.194 -2.627 1.00 0.00 C ATOM 430 C ILE A 31 -2.451 -3.560 -1.637 1.00 0.00 C ATOM 431 O ILE A 31 -2.777 -3.369 -0.465 1.00 0.00 O ATOM 432 CB ILE A 31 -3.118 -5.700 -2.735 1.00 0.00 C ATOM 433 CG1 ILE A 31 -4.031 -6.354 -3.773 1.00 0.00 C ATOM 434 CG2 ILE A 31 -3.281 -6.372 -1.380 1.00 0.00 C ATOM 435 CD1 ILE A 31 -3.451 -7.612 -4.382 1.00 0.00 C ATOM 0 H ILE A 31 -3.147 -4.170 -4.705 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.443 -4.063 -2.266 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.084 -5.824 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.986 -6.594 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.236 -5.637 -4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.062 -7.436 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.593 -5.921 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.305 -6.242 -1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.153 -8.021 -5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.510 -7.375 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.272 -8.347 -3.597 1.00 0.00 H new ATOM 447 N LEU A 32 -1.256 -3.233 -2.117 1.00 0.00 N ATOM 448 CA LEU A 32 -0.236 -2.618 -1.276 1.00 0.00 C ATOM 449 C LEU A 32 -0.673 -1.231 -0.816 1.00 0.00 C ATOM 450 O LEU A 32 -0.570 -0.896 0.364 1.00 0.00 O ATOM 451 CB LEU A 32 1.089 -2.522 -2.034 1.00 0.00 C ATOM 452 CG LEU A 32 1.596 -3.819 -2.667 1.00 0.00 C ATOM 453 CD1 LEU A 32 2.815 -3.549 -3.534 1.00 0.00 C ATOM 454 CD2 LEU A 32 1.921 -4.845 -1.591 1.00 0.00 C ATOM 0 H LEU A 32 -0.970 -3.384 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.099 -3.246 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.981 -1.775 -2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.851 -2.154 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 32 0.808 -4.224 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.161 -4.483 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.550 -2.849 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.609 -3.121 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.280 -5.762 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.692 -4.448 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.024 -5.061 -1.011 1.00 0.00 H new ATOM 466 N TYR A 33 -1.163 -0.429 -1.755 1.00 0.00 N ATOM 467 CA TYR A 33 -1.616 0.922 -1.447 1.00 0.00 C ATOM 468 C TYR A 33 -2.760 0.896 -0.437 1.00 0.00 C ATOM 469 O TYR A 33 -2.751 1.637 0.545 1.00 0.00 O ATOM 470 CB TYR A 33 -2.063 1.636 -2.723 1.00 0.00 C ATOM 471 CG TYR A 33 -0.922 2.233 -3.515 1.00 0.00 C ATOM 472 CD1 TYR A 33 -0.123 3.232 -2.973 1.00 0.00 C ATOM 473 CD2 TYR A 33 -0.643 1.799 -4.805 1.00 0.00 C ATOM 474 CE1 TYR A 33 0.921 3.781 -3.693 1.00 0.00 C ATOM 475 CE2 TYR A 33 0.399 2.341 -5.532 1.00 0.00 C ATOM 476 CZ TYR A 33 1.178 3.332 -4.972 1.00 0.00 C ATOM 477 OH TYR A 33 2.216 3.875 -5.693 1.00 0.00 O ATOM 0 H TYR A 33 -1.257 -0.691 -2.736 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.780 1.467 -1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.602 0.930 -3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.764 2.428 -2.459 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.321 3.586 -1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.252 1.024 -5.247 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.532 4.557 -3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.603 1.991 -6.533 1.00 0.00 H new ATOM 0 HH TYR A 33 2.262 3.447 -6.574 1.00 0.00 H new ATOM 487 N GLN A 34 -3.742 0.037 -0.689 1.00 0.00 N ATOM 488 CA GLN A 34 -4.893 -0.086 0.198 1.00 0.00 C ATOM 489 C GLN A 34 -4.452 -0.394 1.624 1.00 0.00 C ATOM 490 O GLN A 34 -5.013 0.130 2.587 1.00 0.00 O ATOM 491 CB GLN A 34 -5.835 -1.182 -0.305 1.00 0.00 C ATOM 492 CG GLN A 34 -6.888 -0.679 -1.280 1.00 0.00 C ATOM 493 CD GLN A 34 -7.604 0.560 -0.779 1.00 0.00 C ATOM 494 OE1 GLN A 34 -7.596 1.603 -1.433 1.00 0.00 O ATOM 495 NE2 GLN A 34 -8.228 0.451 0.388 1.00 0.00 N ATOM 0 H GLN A 34 -3.764 -0.583 -1.499 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.422 0.867 0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.246 -1.961 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.333 -1.642 0.549 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.415 -0.459 -2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.618 -1.468 -1.459 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.209 -0.433 0.896 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.727 1.251 0.776 1.00 0.00 H new ATOM 504 N LYS A 35 -3.442 -1.248 1.755 1.00 0.00 N ATOM 505 CA LYS A 35 -2.923 -1.626 3.064 1.00 0.00 C ATOM 506 C LYS A 35 -2.115 -0.487 3.678 1.00 0.00 C ATOM 507 O LYS A 35 -2.072 -0.332 4.899 1.00 0.00 O ATOM 508 CB LYS A 35 -2.051 -2.879 2.947 1.00 0.00 C ATOM 509 CG LYS A 35 -2.795 -4.088 2.408 1.00 0.00 C ATOM 510 CD LYS A 35 -3.556 -4.811 3.506 1.00 0.00 C ATOM 511 CE LYS A 35 -4.663 -5.684 2.936 1.00 0.00 C ATOM 512 NZ LYS A 35 -5.771 -4.871 2.364 1.00 0.00 N ATOM 0 H LYS A 35 -2.966 -1.692 0.969 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.770 -1.840 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.205 -2.663 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.644 -3.121 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.490 -3.771 1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.087 -4.774 1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.866 -5.427 4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.984 -4.082 4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.252 -6.333 2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.055 -6.332 3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.626 -5.458 2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.965 -4.061 2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.498 -4.526 1.422 1.00 0.00 H new ATOM 526 N TYR A 36 -1.477 0.307 2.825 1.00 0.00 N ATOM 527 CA TYR A 36 -0.670 1.431 3.285 1.00 0.00 C ATOM 528 C TYR A 36 -1.555 2.570 3.781 1.00 0.00 C ATOM 529 O TYR A 36 -1.425 3.023 4.920 1.00 0.00 O ATOM 530 CB TYR A 36 0.237 1.928 2.159 1.00 0.00 C ATOM 531 CG TYR A 36 1.041 3.156 2.526 1.00 0.00 C ATOM 532 CD1 TYR A 36 0.491 4.427 2.418 1.00 0.00 C ATOM 533 CD2 TYR A 36 2.349 3.043 2.980 1.00 0.00 C ATOM 534 CE1 TYR A 36 1.222 5.551 2.752 1.00 0.00 C ATOM 535 CE2 TYR A 36 3.086 4.162 3.317 1.00 0.00 C ATOM 536 CZ TYR A 36 2.518 5.414 3.201 1.00 0.00 C ATOM 537 OH TYR A 36 3.250 6.530 3.535 1.00 0.00 O ATOM 0 H TYR A 36 -1.503 0.193 1.812 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.053 1.087 4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.921 1.128 1.875 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.373 2.152 1.284 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.524 4.538 2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.797 2.065 3.071 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.780 6.532 2.662 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.101 4.057 3.669 1.00 0.00 H new ATOM 0 HH TYR A 36 3.380 6.557 4.506 1.00 0.00 H new ATOM 547 N LEU A 37 -2.456 3.029 2.920 1.00 0.00 N ATOM 548 CA LEU A 37 -3.365 4.115 3.269 1.00 0.00 C ATOM 549 C LEU A 37 -4.005 3.873 4.632 1.00 0.00 C ATOM 550 O LEU A 37 -4.190 4.803 5.418 1.00 0.00 O ATOM 551 CB LEU A 37 -4.451 4.261 2.201 1.00 0.00 C ATOM 552 CG LEU A 37 -3.961 4.535 0.779 1.00 0.00 C ATOM 553 CD1 LEU A 37 -5.016 4.124 -0.237 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.602 6.004 0.613 1.00 0.00 C ATOM 0 H LEU A 37 -2.577 2.666 1.975 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.787 5.038 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.046 3.348 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.117 5.072 2.497 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.065 3.940 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.650 4.326 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.225 3.059 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.930 4.692 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.255 6.181 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.481 6.618 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.812 6.267 1.316 1.00 0.00 H new ATOM 566 N LEU A 38 -4.340 2.617 4.907 1.00 0.00 N ATOM 567 CA LEU A 38 -4.958 2.251 6.177 1.00 0.00 C ATOM 568 C LEU A 38 -3.898 1.982 7.241 1.00 0.00 C ATOM 569 O LEU A 38 -4.117 2.232 8.426 1.00 0.00 O ATOM 570 CB LEU A 38 -5.843 1.016 5.999 1.00 0.00 C ATOM 571 CG LEU A 38 -5.159 -0.335 6.207 1.00 0.00 C ATOM 572 CD1 LEU A 38 -5.236 -0.754 7.667 1.00 0.00 C ATOM 573 CD2 LEU A 38 -5.789 -1.394 5.313 1.00 0.00 C ATOM 0 H LEU A 38 -4.194 1.835 4.268 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.574 3.087 6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.678 1.089 6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.264 1.037 4.994 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.108 -0.234 5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.744 -1.718 7.795 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.739 -0.007 8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.281 -0.837 7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.290 -2.350 5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.847 -1.492 5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.681 -1.100 4.269 1.00 0.00 H new ATOM 585 N ASP A 39 -2.750 1.473 6.808 1.00 0.00 N ATOM 586 CA ASP A 39 -1.654 1.173 7.723 1.00 0.00 C ATOM 587 C ASP A 39 -0.307 1.313 7.021 1.00 0.00 C ATOM 588 O ASP A 39 0.081 0.459 6.225 1.00 0.00 O ATOM 589 CB ASP A 39 -1.805 -0.241 8.286 1.00 0.00 C ATOM 590 CG ASP A 39 -0.469 -0.880 8.611 1.00 0.00 C ATOM 591 OD1 ASP A 39 0.380 -0.201 9.225 1.00 0.00 O ATOM 592 OD2 ASP A 39 -0.272 -2.060 8.251 1.00 0.00 O ATOM 0 H ASP A 39 -2.554 1.259 5.830 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.692 1.889 8.544 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.417 -0.207 9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.335 -0.862 7.564 1.00 0.00 H new ATOM 597 N SER A 40 0.401 2.397 7.322 1.00 0.00 N ATOM 598 CA SER A 40 1.703 2.652 6.716 1.00 0.00 C ATOM 599 C SER A 40 2.825 2.426 7.725 1.00 0.00 C ATOM 600 O SER A 40 3.990 2.708 7.448 1.00 0.00 O ATOM 601 CB SER A 40 1.767 4.083 6.178 1.00 0.00 C ATOM 602 OG SER A 40 1.375 5.018 7.167 1.00 0.00 O ATOM 0 H SER A 40 0.095 3.113 7.982 1.00 0.00 H new ATOM 0 HA SER A 40 1.835 1.954 5.889 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.781 4.305 5.845 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.118 4.177 5.307 1.00 0.00 H new ATOM 0 HG SER A 40 1.426 5.925 6.799 1.00 0.00 H new ATOM 608 N ASN A 41 2.464 1.915 8.898 1.00 0.00 N ATOM 609 CA ASN A 41 3.439 1.651 9.949 1.00 0.00 C ATOM 610 C ASN A 41 3.311 0.220 10.464 1.00 0.00 C ATOM 611 O ASN A 41 3.286 -0.033 11.668 1.00 0.00 O ATOM 612 CB ASN A 41 3.256 2.638 11.104 1.00 0.00 C ATOM 613 CG ASN A 41 4.093 3.891 10.932 1.00 0.00 C ATOM 614 OD1 ASN A 41 5.021 4.141 11.701 1.00 0.00 O ATOM 615 ND2 ASN A 41 3.768 4.685 9.918 1.00 0.00 N ATOM 0 H ASN A 41 1.503 1.676 9.144 1.00 0.00 H new ATOM 0 HA ASN A 41 4.435 1.778 9.525 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.204 2.914 11.179 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.525 2.150 12.041 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.296 5.542 9.752 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.991 4.438 9.306 1.00 0.00 H new ATOM 622 N PRO A 42 3.227 -0.739 9.530 1.00 0.00 N ATOM 623 CA PRO A 42 3.101 -2.161 9.864 1.00 0.00 C ATOM 624 C PRO A 42 4.378 -2.729 10.473 1.00 0.00 C ATOM 625 O PRO A 42 5.355 -2.007 10.678 1.00 0.00 O ATOM 626 CB PRO A 42 2.814 -2.819 8.512 1.00 0.00 C ATOM 627 CG PRO A 42 3.406 -1.893 7.507 1.00 0.00 C ATOM 628 CD PRO A 42 3.250 -0.510 8.075 1.00 0.00 C ATOM 0 HA PRO A 42 2.328 -2.337 10.612 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.264 -3.810 8.451 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.743 -2.945 8.352 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.456 -2.127 7.332 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.896 -1.981 6.548 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.075 0.140 7.783 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.332 -0.034 7.729 1.00 0.00 H new ATOM 636 N THR A 43 4.365 -4.027 10.761 1.00 0.00 N ATOM 637 CA THR A 43 5.522 -4.691 11.347 1.00 0.00 C ATOM 638 C THR A 43 5.932 -5.908 10.525 1.00 0.00 C ATOM 639 O THR A 43 5.160 -6.402 9.703 1.00 0.00 O ATOM 640 CB THR A 43 5.241 -5.135 12.795 1.00 0.00 C ATOM 641 OG1 THR A 43 6.433 -5.667 13.384 1.00 0.00 O ATOM 642 CG2 THR A 43 4.138 -6.182 12.836 1.00 0.00 C ATOM 0 H THR A 43 3.565 -4.639 10.598 1.00 0.00 H new ATOM 0 HA THR A 43 6.336 -3.966 11.348 1.00 0.00 H new ATOM 0 HB THR A 43 4.914 -4.263 13.362 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.247 -5.945 14.305 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.957 -6.480 13.869 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.224 -5.764 12.414 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.441 -7.053 12.255 1.00 0.00 H new ATOM 650 N ARG A 44 7.151 -6.387 10.753 1.00 0.00 N ATOM 651 CA ARG A 44 7.663 -7.546 10.033 1.00 0.00 C ATOM 652 C ARG A 44 6.568 -8.589 9.833 1.00 0.00 C ATOM 653 O ARG A 44 6.437 -9.169 8.754 1.00 0.00 O ATOM 654 CB ARG A 44 8.839 -8.165 10.790 1.00 0.00 C ATOM 655 CG ARG A 44 9.789 -8.953 9.902 1.00 0.00 C ATOM 656 CD ARG A 44 10.774 -8.039 9.191 1.00 0.00 C ATOM 657 NE ARG A 44 11.721 -7.426 10.118 1.00 0.00 N ATOM 658 CZ ARG A 44 12.667 -8.105 10.757 1.00 0.00 C ATOM 659 NH1 ARG A 44 12.792 -9.411 10.569 1.00 0.00 N ATOM 660 NH2 ARG A 44 13.491 -7.477 11.586 1.00 0.00 N ATOM 0 H ARG A 44 7.802 -5.990 11.431 1.00 0.00 H new ATOM 0 HA ARG A 44 8.006 -7.211 9.054 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.396 -7.372 11.290 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.453 -8.823 11.568 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.335 -9.679 10.505 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.217 -9.517 9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.320 -8.610 8.440 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.227 -7.258 8.663 1.00 0.00 H new ATOM 0 HE ARG A 44 11.652 -6.422 10.284 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.161 -9.897 9.932 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.519 -9.930 11.061 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.398 -6.472 11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.217 -7.999 12.076 1.00 0.00 H new ATOM 674 N LYS A 45 5.783 -8.824 10.879 1.00 0.00 N ATOM 675 CA LYS A 45 4.698 -9.796 10.820 1.00 0.00 C ATOM 676 C LYS A 45 3.743 -9.477 9.674 1.00 0.00 C ATOM 677 O LYS A 45 3.444 -10.336 8.845 1.00 0.00 O ATOM 678 CB LYS A 45 3.933 -9.819 12.145 1.00 0.00 C ATOM 679 CG LYS A 45 3.029 -11.029 12.305 1.00 0.00 C ATOM 680 CD LYS A 45 3.831 -12.315 12.404 1.00 0.00 C ATOM 681 CE LYS A 45 3.058 -13.400 13.138 1.00 0.00 C ATOM 682 NZ LYS A 45 3.964 -14.345 13.847 1.00 0.00 N ATOM 0 H LYS A 45 5.878 -8.354 11.779 1.00 0.00 H new ATOM 0 HA LYS A 45 5.134 -10.779 10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.648 -9.799 12.968 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.331 -8.914 12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.417 -10.911 13.199 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.347 -11.089 11.457 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.087 -12.663 11.403 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.769 -12.121 12.924 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.380 -12.940 13.856 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.443 -13.951 12.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.398 -15.069 14.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.594 -14.804 13.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.533 -13.823 14.544 1.00 0.00 H new ATOM 696 N MET A 46 3.269 -8.236 9.633 1.00 0.00 N ATOM 697 CA MET A 46 2.350 -7.803 8.587 1.00 0.00 C ATOM 698 C MET A 46 3.010 -7.888 7.214 1.00 0.00 C ATOM 699 O MET A 46 2.500 -8.549 6.309 1.00 0.00 O ATOM 700 CB MET A 46 1.879 -6.372 8.852 1.00 0.00 C ATOM 701 CG MET A 46 1.286 -6.174 10.237 1.00 0.00 C ATOM 702 SD MET A 46 -0.500 -6.417 10.270 1.00 0.00 S ATOM 703 CE MET A 46 -0.625 -8.093 9.651 1.00 0.00 C ATOM 0 H MET A 46 3.506 -7.513 10.312 1.00 0.00 H new ATOM 0 HA MET A 46 1.487 -8.469 8.598 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.721 -5.692 8.726 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.134 -6.099 8.104 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.756 -6.870 10.932 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.518 -5.168 10.587 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.596 -8.509 9.921 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.521 -8.089 8.566 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.165 -8.703 10.089 1.00 0.00 H new ATOM 713 N LEU A 47 4.146 -7.215 7.067 1.00 0.00 N ATOM 714 CA LEU A 47 4.876 -7.214 5.804 1.00 0.00 C ATOM 715 C LEU A 47 4.895 -8.608 5.185 1.00 0.00 C ATOM 716 O LEU A 47 4.765 -8.761 3.970 1.00 0.00 O ATOM 717 CB LEU A 47 6.307 -6.720 6.019 1.00 0.00 C ATOM 718 CG LEU A 47 6.454 -5.269 6.479 1.00 0.00 C ATOM 719 CD1 LEU A 47 7.874 -4.999 6.952 1.00 0.00 C ATOM 720 CD2 LEU A 47 6.073 -4.313 5.357 1.00 0.00 C ATOM 0 H LEU A 47 4.581 -6.663 7.806 1.00 0.00 H new ATOM 0 HA LEU A 47 4.365 -6.539 5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.786 -7.364 6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.856 -6.842 5.085 1.00 0.00 H new ATOM 0 HG LEU A 47 5.777 -5.104 7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.959 -3.961 7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.111 -5.659 7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.571 -5.182 6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.183 -3.285 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.725 -4.480 4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.038 -4.489 5.065 1.00 0.00 H new ATOM 732 N ASP A 48 5.057 -9.622 6.028 1.00 0.00 N ATOM 733 CA ASP A 48 5.089 -11.004 5.565 1.00 0.00 C ATOM 734 C ASP A 48 3.732 -11.424 5.010 1.00 0.00 C ATOM 735 O ASP A 48 3.643 -11.992 3.921 1.00 0.00 O ATOM 736 CB ASP A 48 5.498 -11.937 6.706 1.00 0.00 C ATOM 737 CG ASP A 48 5.960 -13.293 6.208 1.00 0.00 C ATOM 738 OD1 ASP A 48 5.122 -14.040 5.661 1.00 0.00 O ATOM 739 OD2 ASP A 48 7.158 -13.607 6.366 1.00 0.00 O ATOM 0 H ASP A 48 5.168 -9.512 7.036 1.00 0.00 H new ATOM 0 HA ASP A 48 5.826 -11.076 4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.299 -11.473 7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.654 -12.070 7.383 1.00 0.00 H new ATOM 744 N HIS A 49 2.676 -11.142 5.767 1.00 0.00 N ATOM 745 CA HIS A 49 1.322 -11.491 5.351 1.00 0.00 C ATOM 746 C HIS A 49 0.948 -10.770 4.060 1.00 0.00 C ATOM 747 O HIS A 49 0.637 -11.404 3.051 1.00 0.00 O ATOM 748 CB HIS A 49 0.321 -11.141 6.453 1.00 0.00 C ATOM 749 CG HIS A 49 -1.081 -11.569 6.146 1.00 0.00 C ATOM 750 ND1 HIS A 49 -1.517 -12.870 6.279 1.00 0.00 N ATOM 751 CD2 HIS A 49 -2.148 -10.858 5.712 1.00 0.00 C ATOM 752 CE1 HIS A 49 -2.791 -12.942 5.938 1.00 0.00 C ATOM 753 NE2 HIS A 49 -3.198 -11.735 5.590 1.00 0.00 N ATOM 0 H HIS A 49 2.732 -10.673 6.671 1.00 0.00 H new ATOM 0 HA HIS A 49 1.290 -12.565 5.169 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.640 -11.610 7.384 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.336 -10.064 6.617 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.170 -9.799 5.501 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.397 -13.836 5.943 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -4.139 -11.493 5.281 1.00 0.00 H new ATOM 762 N ILE A 50 0.980 -9.442 4.098 1.00 0.00 N ATOM 763 CA ILE A 50 0.645 -8.636 2.931 1.00 0.00 C ATOM 764 C ILE A 50 1.383 -9.129 1.692 1.00 0.00 C ATOM 765 O ILE A 50 0.782 -9.326 0.636 1.00 0.00 O ATOM 766 CB ILE A 50 0.981 -7.150 3.158 1.00 0.00 C ATOM 767 CG1 ILE A 50 0.201 -6.605 4.356 1.00 0.00 C ATOM 768 CG2 ILE A 50 0.674 -6.340 1.907 1.00 0.00 C ATOM 769 CD1 ILE A 50 0.912 -5.483 5.080 1.00 0.00 C ATOM 0 H ILE A 50 1.235 -8.902 4.925 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.429 -8.738 2.775 1.00 0.00 H new ATOM 0 HB ILE A 50 2.046 -7.063 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.771 -6.248 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.014 -7.418 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.917 -5.292 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.270 -6.715 1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.385 -6.431 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.301 -5.146 5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.872 -5.841 5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.076 -4.653 4.393 1.00 0.00 H new ATOM 781 N ALA A 51 2.690 -9.329 1.828 1.00 0.00 N ATOM 782 CA ALA A 51 3.510 -9.803 0.721 1.00 0.00 C ATOM 783 C ALA A 51 3.131 -11.227 0.327 1.00 0.00 C ATOM 784 O ALA A 51 3.419 -11.672 -0.784 1.00 0.00 O ATOM 785 CB ALA A 51 4.985 -9.730 1.088 1.00 0.00 C ATOM 0 H ALA A 51 3.203 -9.170 2.695 1.00 0.00 H new ATOM 0 HA ALA A 51 3.328 -9.156 -0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.586 -10.087 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.253 -8.698 1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.174 -10.353 1.963 1.00 0.00 H new ATOM 791 N HIS A 52 2.483 -11.937 1.245 1.00 0.00 N ATOM 792 CA HIS A 52 2.064 -13.311 0.993 1.00 0.00 C ATOM 793 C HIS A 52 0.749 -13.345 0.220 1.00 0.00 C ATOM 794 O HIS A 52 0.532 -14.222 -0.615 1.00 0.00 O ATOM 795 CB HIS A 52 1.914 -14.071 2.311 1.00 0.00 C ATOM 796 CG HIS A 52 1.317 -15.435 2.152 1.00 0.00 C ATOM 797 ND1 HIS A 52 2.074 -16.570 1.951 1.00 0.00 N ATOM 798 CD2 HIS A 52 0.026 -15.844 2.166 1.00 0.00 C ATOM 799 CE1 HIS A 52 1.276 -17.617 1.847 1.00 0.00 C ATOM 800 NE2 HIS A 52 0.028 -17.204 1.975 1.00 0.00 N ATOM 0 H HIS A 52 2.237 -11.584 2.170 1.00 0.00 H new ATOM 0 HA HIS A 52 2.833 -13.794 0.389 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.893 -14.165 2.780 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.291 -13.487 2.988 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.843 -15.217 2.302 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.590 -18.637 1.685 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.800 -17.799 1.938 1.00 0.00 H new ATOM 809 N GLU A 53 -0.125 -12.384 0.505 1.00 0.00 N ATOM 810 CA GLU A 53 -1.419 -12.307 -0.163 1.00 0.00 C ATOM 811 C GLU A 53 -1.279 -11.684 -1.549 1.00 0.00 C ATOM 812 O GLU A 53 -1.921 -12.119 -2.505 1.00 0.00 O ATOM 813 CB GLU A 53 -2.403 -11.491 0.678 1.00 0.00 C ATOM 814 CG GLU A 53 -2.335 -9.996 0.416 1.00 0.00 C ATOM 815 CD GLU A 53 -3.453 -9.232 1.097 1.00 0.00 C ATOM 816 OE1 GLU A 53 -4.610 -9.700 1.044 1.00 0.00 O ATOM 817 OE2 GLU A 53 -3.171 -8.166 1.684 1.00 0.00 O ATOM 0 H GLU A 53 0.039 -11.649 1.193 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.802 -13.321 -0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.416 -11.841 0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.205 -11.675 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.375 -9.614 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.380 -9.817 -0.658 1.00 0.00 H new ATOM 824 N VAL A 54 -0.435 -10.661 -1.649 1.00 0.00 N ATOM 825 CA VAL A 54 -0.210 -9.978 -2.918 1.00 0.00 C ATOM 826 C VAL A 54 0.643 -10.826 -3.855 1.00 0.00 C ATOM 827 O VAL A 54 0.585 -10.672 -5.074 1.00 0.00 O ATOM 828 CB VAL A 54 0.477 -8.616 -2.707 1.00 0.00 C ATOM 829 CG1 VAL A 54 0.356 -7.758 -3.957 1.00 0.00 C ATOM 830 CG2 VAL A 54 -0.114 -7.902 -1.500 1.00 0.00 C ATOM 0 H VAL A 54 0.103 -10.288 -0.867 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.189 -9.817 -3.369 1.00 0.00 H new ATOM 0 HB VAL A 54 1.536 -8.788 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.847 -6.799 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.831 -8.267 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.697 -7.591 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.383 -6.941 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.180 -7.740 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.031 -8.513 -0.609 1.00 0.00 H new ATOM 840 N GLY A 55 1.435 -11.723 -3.276 1.00 0.00 N ATOM 841 CA GLY A 55 2.290 -12.583 -4.074 1.00 0.00 C ATOM 842 C GLY A 55 3.530 -11.868 -4.571 1.00 0.00 C ATOM 843 O GLY A 55 3.990 -12.110 -5.688 1.00 0.00 O ATOM 0 H GLY A 55 1.500 -11.870 -2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.586 -13.447 -3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.726 -12.961 -4.927 1.00 0.00 H new ATOM 847 N LEU A 56 4.073 -10.983 -3.742 1.00 0.00 N ATOM 848 CA LEU A 56 5.268 -10.229 -4.105 1.00 0.00 C ATOM 849 C LEU A 56 6.357 -10.394 -3.050 1.00 0.00 C ATOM 850 O LEU A 56 6.078 -10.419 -1.851 1.00 0.00 O ATOM 851 CB LEU A 56 4.927 -8.747 -4.274 1.00 0.00 C ATOM 852 CG LEU A 56 5.826 -7.956 -5.224 1.00 0.00 C ATOM 853 CD1 LEU A 56 5.731 -8.512 -6.636 1.00 0.00 C ATOM 854 CD2 LEU A 56 5.455 -6.480 -5.205 1.00 0.00 C ATOM 0 H LEU A 56 3.705 -10.770 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 56 5.642 -10.621 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.899 -8.669 -4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.962 -8.273 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 56 6.857 -8.056 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.378 -7.936 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.046 -9.555 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.701 -8.443 -6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.105 -5.933 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.418 -6.361 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.576 -6.087 -4.195 1.00 0.00 H new ATOM 866 N LYS A 57 7.601 -10.506 -3.504 1.00 0.00 N ATOM 867 CA LYS A 57 8.734 -10.666 -2.601 1.00 0.00 C ATOM 868 C LYS A 57 8.540 -9.841 -1.333 1.00 0.00 C ATOM 869 O LYS A 57 8.232 -8.651 -1.395 1.00 0.00 O ATOM 870 CB LYS A 57 10.031 -10.250 -3.299 1.00 0.00 C ATOM 871 CG LYS A 57 10.410 -11.148 -4.464 1.00 0.00 C ATOM 872 CD LYS A 57 11.287 -12.305 -4.015 1.00 0.00 C ATOM 873 CE LYS A 57 12.237 -12.745 -5.118 1.00 0.00 C ATOM 874 NZ LYS A 57 13.531 -12.011 -5.062 1.00 0.00 N ATOM 0 H LYS A 57 7.850 -10.489 -4.493 1.00 0.00 H new ATOM 0 HA LYS A 57 8.799 -11.718 -2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.928 -9.226 -3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.842 -10.252 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.506 -11.536 -4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.936 -10.563 -5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.860 -12.009 -3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.659 -13.145 -3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.423 -13.816 -5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.768 -12.580 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.150 -12.340 -5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.357 -10.991 -5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.991 -12.188 -4.146 1.00 0.00 H new ATOM 888 N LYS A 58 8.724 -10.481 -0.183 1.00 0.00 N ATOM 889 CA LYS A 58 8.572 -9.806 1.101 1.00 0.00 C ATOM 890 C LYS A 58 9.436 -8.551 1.162 1.00 0.00 C ATOM 891 O LYS A 58 8.996 -7.506 1.641 1.00 0.00 O ATOM 892 CB LYS A 58 8.945 -10.752 2.245 1.00 0.00 C ATOM 893 CG LYS A 58 8.195 -10.473 3.535 1.00 0.00 C ATOM 894 CD LYS A 58 8.788 -9.288 4.279 1.00 0.00 C ATOM 895 CE LYS A 58 9.875 -9.726 5.248 1.00 0.00 C ATOM 896 NZ LYS A 58 9.324 -10.044 6.594 1.00 0.00 N ATOM 0 H LYS A 58 8.979 -11.466 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 58 7.528 -9.512 1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.748 -11.778 1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.016 -10.676 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.146 -10.276 3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.225 -11.356 4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.202 -8.578 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.000 -8.768 4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.386 -10.602 4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.621 -8.936 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.097 -10.338 7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.859 -9.201 6.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.631 -10.815 6.512 1.00 0.00 H new ATOM 910 N ARG A 59 10.667 -8.662 0.673 1.00 0.00 N ATOM 911 CA ARG A 59 11.593 -7.535 0.672 1.00 0.00 C ATOM 912 C ARG A 59 11.036 -6.375 -0.148 1.00 0.00 C ATOM 913 O ARG A 59 10.933 -5.249 0.339 1.00 0.00 O ATOM 914 CB ARG A 59 12.950 -7.964 0.113 1.00 0.00 C ATOM 915 CG ARG A 59 14.074 -6.990 0.428 1.00 0.00 C ATOM 916 CD ARG A 59 14.544 -7.128 1.867 1.00 0.00 C ATOM 917 NE ARG A 59 15.366 -8.319 2.063 1.00 0.00 N ATOM 918 CZ ARG A 59 16.259 -8.443 3.038 1.00 0.00 C ATOM 919 NH1 ARG A 59 16.444 -7.454 3.902 1.00 0.00 N ATOM 920 NH2 ARG A 59 16.969 -9.558 3.151 1.00 0.00 N ATOM 0 H ARG A 59 11.046 -9.520 0.273 1.00 0.00 H new ATOM 0 HA ARG A 59 11.721 -7.201 1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.206 -8.944 0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.869 -8.075 -0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.911 -7.168 -0.248 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.733 -5.970 0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.115 -6.243 2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.679 -7.172 2.528 1.00 0.00 H new ATOM 0 HE ARG A 59 15.248 -9.098 1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.900 -6.595 3.819 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.131 -7.552 4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.829 -10.321 2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.655 -9.652 3.900 1.00 0.00 H new ATOM 934 N VAL A 60 10.679 -6.658 -1.397 1.00 0.00 N ATOM 935 CA VAL A 60 10.133 -5.639 -2.285 1.00 0.00 C ATOM 936 C VAL A 60 8.889 -4.995 -1.684 1.00 0.00 C ATOM 937 O VAL A 60 8.594 -3.828 -1.941 1.00 0.00 O ATOM 938 CB VAL A 60 9.778 -6.227 -3.664 1.00 0.00 C ATOM 939 CG1 VAL A 60 9.032 -5.203 -4.506 1.00 0.00 C ATOM 940 CG2 VAL A 60 11.033 -6.705 -4.378 1.00 0.00 C ATOM 0 H VAL A 60 10.758 -7.584 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 60 10.907 -4.881 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 60 9.123 -7.085 -3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.790 -5.637 -5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.112 -4.915 -3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.659 -4.323 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.764 -7.117 -5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.715 -5.866 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.521 -7.475 -3.780 1.00 0.00 H new ATOM 950 N VAL A 61 8.161 -5.764 -0.880 1.00 0.00 N ATOM 951 CA VAL A 61 6.949 -5.269 -0.239 1.00 0.00 C ATOM 952 C VAL A 61 7.278 -4.472 1.018 1.00 0.00 C ATOM 953 O VAL A 61 6.605 -3.491 1.336 1.00 0.00 O ATOM 954 CB VAL A 61 5.998 -6.423 0.132 1.00 0.00 C ATOM 955 CG1 VAL A 61 4.844 -5.912 0.981 1.00 0.00 C ATOM 956 CG2 VAL A 61 5.484 -7.113 -1.122 1.00 0.00 C ATOM 0 H VAL A 61 8.390 -6.733 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 61 6.454 -4.618 -0.959 1.00 0.00 H new ATOM 0 HB VAL A 61 6.553 -7.154 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.183 -6.741 1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.235 -5.468 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.286 -5.160 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.814 -7.925 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.944 -6.394 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.325 -7.515 -1.687 1.00 0.00 H new ATOM 966 N GLN A 62 8.316 -4.900 1.728 1.00 0.00 N ATOM 967 CA GLN A 62 8.734 -4.225 2.952 1.00 0.00 C ATOM 968 C GLN A 62 9.320 -2.851 2.643 1.00 0.00 C ATOM 969 O GLN A 62 8.951 -1.854 3.264 1.00 0.00 O ATOM 970 CB GLN A 62 9.762 -5.074 3.702 1.00 0.00 C ATOM 971 CG GLN A 62 10.666 -4.266 4.619 1.00 0.00 C ATOM 972 CD GLN A 62 11.567 -5.140 5.468 1.00 0.00 C ATOM 973 OE1 GLN A 62 11.669 -4.954 6.681 1.00 0.00 O ATOM 974 NE2 GLN A 62 12.228 -6.101 4.833 1.00 0.00 N ATOM 0 H GLN A 62 8.883 -5.710 1.478 1.00 0.00 H new ATOM 0 HA GLN A 62 7.855 -4.091 3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.238 -5.826 4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.377 -5.608 2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.279 -3.594 4.018 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.053 -3.642 5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.114 -6.219 3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.850 -6.721 5.352 1.00 0.00 H new ATOM 983 N VAL A 63 10.235 -2.806 1.680 1.00 0.00 N ATOM 984 CA VAL A 63 10.871 -1.555 1.288 1.00 0.00 C ATOM 985 C VAL A 63 9.866 -0.604 0.648 1.00 0.00 C ATOM 986 O VAL A 63 9.915 0.607 0.868 1.00 0.00 O ATOM 987 CB VAL A 63 12.030 -1.798 0.303 1.00 0.00 C ATOM 988 CG1 VAL A 63 12.603 -0.477 -0.186 1.00 0.00 C ATOM 989 CG2 VAL A 63 13.111 -2.649 0.952 1.00 0.00 C ATOM 0 H VAL A 63 10.552 -3.622 1.157 1.00 0.00 H new ATOM 0 HA VAL A 63 11.266 -1.103 2.198 1.00 0.00 H new ATOM 0 HB VAL A 63 11.642 -2.339 -0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.420 -0.670 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.824 0.093 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.976 0.095 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.922 -2.811 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 63 13.497 -2.137 1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.690 -3.610 1.247 1.00 0.00 H new ATOM 999 N TRP A 64 8.956 -1.159 -0.144 1.00 0.00 N ATOM 1000 CA TRP A 64 7.938 -0.360 -0.816 1.00 0.00 C ATOM 1001 C TRP A 64 7.193 0.522 0.180 1.00 0.00 C ATOM 1002 O TRP A 64 6.625 1.550 -0.190 1.00 0.00 O ATOM 1003 CB TRP A 64 6.950 -1.268 -1.550 1.00 0.00 C ATOM 1004 CG TRP A 64 5.908 -0.514 -2.318 1.00 0.00 C ATOM 1005 CD1 TRP A 64 5.947 -0.177 -3.641 1.00 0.00 C ATOM 1006 CD2 TRP A 64 4.672 0.000 -1.809 1.00 0.00 C ATOM 1007 NE1 TRP A 64 4.811 0.514 -3.985 1.00 0.00 N ATOM 1008 CE2 TRP A 64 4.012 0.635 -2.879 1.00 0.00 C ATOM 1009 CE3 TRP A 64 4.058 -0.018 -0.553 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 2.771 1.247 -2.729 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 2.826 0.591 -0.406 1.00 0.00 C ATOM 1012 CH2 TRP A 64 2.192 1.216 -1.489 1.00 0.00 C ATOM 0 H TRP A 64 8.902 -2.159 -0.337 1.00 0.00 H new ATOM 0 HA TRP A 64 8.437 0.284 -1.541 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.500 -1.913 -2.235 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.458 -1.918 -0.826 1.00 0.00 H new ATOM 0 HD1 TRP A 64 6.753 -0.419 -4.318 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.597 0.878 -4.913 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.538 -0.499 0.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.282 1.730 -3.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.343 0.585 0.560 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.229 1.682 -1.342 1.00 0.00 H new ATOM 1023 N PHE A 65 7.200 0.115 1.445 1.00 0.00 N ATOM 1024 CA PHE A 65 6.524 0.869 2.494 1.00 0.00 C ATOM 1025 C PHE A 65 7.428 1.968 3.043 1.00 0.00 C ATOM 1026 O PHE A 65 7.015 3.121 3.169 1.00 0.00 O ATOM 1027 CB PHE A 65 6.093 -0.066 3.627 1.00 0.00 C ATOM 1028 CG PHE A 65 4.717 -0.637 3.442 1.00 0.00 C ATOM 1029 CD1 PHE A 65 4.453 -1.524 2.411 1.00 0.00 C ATOM 1030 CD2 PHE A 65 3.686 -0.288 4.300 1.00 0.00 C ATOM 1031 CE1 PHE A 65 3.187 -2.050 2.238 1.00 0.00 C ATOM 1032 CE2 PHE A 65 2.418 -0.811 4.133 1.00 0.00 C ATOM 1033 CZ PHE A 65 2.168 -1.695 3.101 1.00 0.00 C ATOM 0 H PHE A 65 7.666 -0.733 1.768 1.00 0.00 H new ATOM 0 HA PHE A 65 5.639 1.334 2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.810 -0.884 3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.128 0.479 4.570 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.246 -1.808 1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.876 0.401 5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.994 -2.738 1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.624 -0.529 4.808 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.179 -2.107 2.969 1.00 0.00 H new ATOM 1043 N GLN A 66 8.664 1.603 3.368 1.00 0.00 N ATOM 1044 CA GLN A 66 9.627 2.557 3.904 1.00 0.00 C ATOM 1045 C GLN A 66 9.910 3.668 2.898 1.00 0.00 C ATOM 1046 O GLN A 66 10.203 4.801 3.277 1.00 0.00 O ATOM 1047 CB GLN A 66 10.929 1.846 4.276 1.00 0.00 C ATOM 1048 CG GLN A 66 11.896 1.700 3.113 1.00 0.00 C ATOM 1049 CD GLN A 66 13.259 1.196 3.546 1.00 0.00 C ATOM 1050 OE1 GLN A 66 14.267 1.886 3.392 1.00 0.00 O ATOM 1051 NE2 GLN A 66 13.297 -0.014 4.093 1.00 0.00 N ATOM 0 H GLN A 66 9.022 0.653 3.269 1.00 0.00 H new ATOM 0 HA GLN A 66 9.197 3.004 4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.419 2.399 5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.694 0.857 4.668 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.475 1.012 2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.010 2.664 2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.437 -0.552 4.202 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.186 -0.405 4.404 1.00 0.00 H new ATOM 1060 N ASN A 67 9.820 3.335 1.615 1.00 0.00 N ATOM 1061 CA ASN A 67 10.068 4.305 0.554 1.00 0.00 C ATOM 1062 C ASN A 67 8.892 5.266 0.410 1.00 0.00 C ATOM 1063 O ASN A 67 9.059 6.484 0.471 1.00 0.00 O ATOM 1064 CB ASN A 67 10.319 3.587 -0.773 1.00 0.00 C ATOM 1065 CG ASN A 67 11.755 3.117 -0.914 1.00 0.00 C ATOM 1066 OD1 ASN A 67 12.671 3.707 -0.341 1.00 0.00 O ATOM 1067 ND2 ASN A 67 11.956 2.051 -1.679 1.00 0.00 N ATOM 0 H ASN A 67 9.577 2.401 1.284 1.00 0.00 H new ATOM 0 HA ASN A 67 10.954 4.880 0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.650 2.730 -0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.076 4.258 -1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.900 1.689 -1.811 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.166 1.594 -2.135 1.00 0.00 H new ATOM 1074 N THR A 68 7.699 4.709 0.220 1.00 0.00 N ATOM 1075 CA THR A 68 6.495 5.516 0.067 1.00 0.00 C ATOM 1076 C THR A 68 6.371 6.537 1.191 1.00 0.00 C ATOM 1077 O THR A 68 5.942 7.670 0.969 1.00 0.00 O ATOM 1078 CB THR A 68 5.230 4.637 0.044 1.00 0.00 C ATOM 1079 OG1 THR A 68 5.294 3.714 -1.049 1.00 0.00 O ATOM 1080 CG2 THR A 68 3.979 5.494 -0.081 1.00 0.00 C ATOM 0 H THR A 68 7.542 3.703 0.169 1.00 0.00 H new ATOM 0 HA THR A 68 6.583 6.039 -0.886 1.00 0.00 H new ATOM 0 HB THR A 68 5.181 4.084 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.978 3.037 -0.866 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.098 4.852 -0.095 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.918 6.175 0.768 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.023 6.070 -1.005 1.00 0.00 H new ATOM 1088 N ARG A 69 6.749 6.130 2.399 1.00 0.00 N ATOM 1089 CA ARG A 69 6.680 7.011 3.558 1.00 0.00 C ATOM 1090 C ARG A 69 7.556 8.244 3.358 1.00 0.00 C ATOM 1091 O ARG A 69 7.094 9.376 3.500 1.00 0.00 O ATOM 1092 CB ARG A 69 7.114 6.263 4.820 1.00 0.00 C ATOM 1093 CG ARG A 69 5.969 5.571 5.542 1.00 0.00 C ATOM 1094 CD ARG A 69 6.427 4.960 6.857 1.00 0.00 C ATOM 1095 NE ARG A 69 6.971 5.965 7.767 1.00 0.00 N ATOM 1096 CZ ARG A 69 8.234 6.377 7.738 1.00 0.00 C ATOM 1097 NH1 ARG A 69 9.078 5.873 6.848 1.00 0.00 N ATOM 1098 NH2 ARG A 69 8.653 7.295 8.599 1.00 0.00 N ATOM 0 H ARG A 69 7.106 5.196 2.600 1.00 0.00 H new ATOM 0 HA ARG A 69 5.646 7.337 3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.865 5.520 4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.591 6.966 5.503 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.171 6.288 5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.553 4.792 4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.587 4.455 7.334 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.184 4.201 6.660 1.00 0.00 H new ATOM 0 HE ARG A 69 6.347 6.373 8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.758 5.168 6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.047 6.191 6.827 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.006 7.685 9.284 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.623 7.611 8.576 1.00 0.00 H new