USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=11 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 25 THR OG1 : rot -91:sc= 0.188 USER MOD Set 1.2: A 28 GLN : amide:sc= 0.529 K(o=0.72,f=-2.3!) USER MOD Single : A 23 THR OG1 : rot -35:sc= 0.131 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.491 F(o=-1.6,f=-0.49) USER MOD Single : A 35 LYS NZ :NH3+ -125:sc= 0.0696 (180deg=0) USER MOD Single : A 36 TYR OH : rot 100:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.052) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0703 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 160:sc= -2.3! (180deg=-4.13!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.0072) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -5.02! C(o=-6.6!,f=-5!) USER MOD Single : A 68 THR OG1 : rot 93:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 23 10.500 -6.646 -9.512 1.00 0.00 N ATOM 302 CA THR A 23 9.666 -5.514 -9.899 1.00 0.00 C ATOM 303 C THR A 23 8.254 -5.657 -9.345 1.00 0.00 C ATOM 304 O THR A 23 7.915 -6.673 -8.736 1.00 0.00 O ATOM 305 CB THR A 23 9.592 -5.368 -11.431 1.00 0.00 C ATOM 306 OG1 THR A 23 9.189 -6.609 -12.022 1.00 0.00 O ATOM 307 CG2 THR A 23 10.938 -4.944 -11.999 1.00 0.00 C ATOM 0 HA THR A 23 10.130 -4.622 -9.479 1.00 0.00 H new ATOM 0 HB THR A 23 8.857 -4.598 -11.666 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.566 -7.354 -11.509 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.862 -4.847 -13.082 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.229 -3.986 -11.569 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.689 -5.695 -11.754 1.00 0.00 H new ATOM 315 N ILE A 24 7.433 -4.635 -9.559 1.00 0.00 N ATOM 316 CA ILE A 24 6.055 -4.649 -9.082 1.00 0.00 C ATOM 317 C ILE A 24 5.071 -4.520 -10.240 1.00 0.00 C ATOM 318 O ILE A 24 5.398 -3.966 -11.290 1.00 0.00 O ATOM 319 CB ILE A 24 5.797 -3.512 -8.075 1.00 0.00 C ATOM 320 CG1 ILE A 24 6.842 -3.545 -6.957 1.00 0.00 C ATOM 321 CG2 ILE A 24 4.393 -3.624 -7.499 1.00 0.00 C ATOM 322 CD1 ILE A 24 6.834 -2.308 -6.087 1.00 0.00 C ATOM 0 H ILE A 24 7.698 -3.787 -10.060 1.00 0.00 H new ATOM 0 HA ILE A 24 5.903 -5.607 -8.584 1.00 0.00 H new ATOM 0 HB ILE A 24 5.880 -2.558 -8.596 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.666 -4.420 -6.332 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.832 -3.662 -7.399 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.225 -2.814 -6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.663 -3.557 -8.305 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.284 -4.581 -6.989 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.599 -2.400 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.040 -1.431 -6.700 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.857 -2.200 -5.617 1.00 0.00 H new ATOM 334 N THR A 25 3.862 -5.035 -10.041 1.00 0.00 N ATOM 335 CA THR A 25 2.828 -4.977 -11.067 1.00 0.00 C ATOM 336 C THR A 25 1.751 -3.961 -10.707 1.00 0.00 C ATOM 337 O THR A 25 1.536 -3.636 -9.539 1.00 0.00 O ATOM 338 CB THR A 25 2.169 -6.353 -11.279 1.00 0.00 C ATOM 339 OG1 THR A 25 1.819 -6.928 -10.015 1.00 0.00 O ATOM 340 CG2 THR A 25 3.104 -7.292 -12.026 1.00 0.00 C ATOM 0 H THR A 25 3.575 -5.497 -9.178 1.00 0.00 H new ATOM 0 HA THR A 25 3.318 -4.670 -11.991 1.00 0.00 H new ATOM 0 HB THR A 25 1.268 -6.211 -11.876 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.561 -7.480 -9.690 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.617 -8.257 -12.164 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.346 -6.866 -12.999 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.020 -7.427 -11.451 1.00 0.00 H new ATOM 348 N PRO A 26 1.057 -3.445 -11.732 1.00 0.00 N ATOM 349 CA PRO A 26 -0.011 -2.458 -11.548 1.00 0.00 C ATOM 350 C PRO A 26 -1.246 -3.057 -10.885 1.00 0.00 C ATOM 351 O PRO A 26 -2.120 -2.332 -10.409 1.00 0.00 O ATOM 352 CB PRO A 26 -0.334 -2.013 -12.976 1.00 0.00 C ATOM 353 CG PRO A 26 0.074 -3.162 -13.832 1.00 0.00 C ATOM 354 CD PRO A 26 1.260 -3.786 -13.150 1.00 0.00 C ATOM 0 HA PRO A 26 0.297 -1.643 -10.893 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.395 -1.791 -13.091 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.212 -1.108 -13.242 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.739 -3.880 -13.935 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.333 -2.828 -14.837 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.290 -4.865 -13.303 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.199 -3.384 -13.529 1.00 0.00 H new ATOM 362 N GLU A 27 -1.312 -4.385 -10.856 1.00 0.00 N ATOM 363 CA GLU A 27 -2.442 -5.080 -10.251 1.00 0.00 C ATOM 364 C GLU A 27 -2.142 -5.446 -8.800 1.00 0.00 C ATOM 365 O GLU A 27 -3.054 -5.653 -8.001 1.00 0.00 O ATOM 366 CB GLU A 27 -2.777 -6.343 -11.048 1.00 0.00 C ATOM 367 CG GLU A 27 -2.935 -6.098 -12.539 1.00 0.00 C ATOM 368 CD GLU A 27 -3.621 -4.781 -12.845 1.00 0.00 C ATOM 369 OE1 GLU A 27 -4.537 -4.399 -12.087 1.00 0.00 O ATOM 370 OE2 GLU A 27 -3.240 -4.132 -13.842 1.00 0.00 O ATOM 0 H GLU A 27 -0.597 -5.000 -11.244 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.301 -4.409 -10.268 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.990 -7.081 -10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.700 -6.774 -10.659 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.953 -6.110 -13.011 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.510 -6.913 -12.978 1.00 0.00 H new ATOM 377 N GLN A 28 -0.857 -5.523 -8.469 1.00 0.00 N ATOM 378 CA GLN A 28 -0.437 -5.864 -7.115 1.00 0.00 C ATOM 379 C GLN A 28 -0.375 -4.620 -6.234 1.00 0.00 C ATOM 380 O GLN A 28 -0.831 -4.634 -5.090 1.00 0.00 O ATOM 381 CB GLN A 28 0.929 -6.553 -7.141 1.00 0.00 C ATOM 382 CG GLN A 28 0.855 -8.038 -7.458 1.00 0.00 C ATOM 383 CD GLN A 28 2.223 -8.684 -7.549 1.00 0.00 C ATOM 384 OE1 GLN A 28 3.005 -8.384 -8.451 1.00 0.00 O ATOM 385 NE2 GLN A 28 2.519 -9.578 -6.613 1.00 0.00 N ATOM 0 H GLN A 28 -0.089 -5.354 -9.119 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.174 -6.548 -6.695 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.560 -6.063 -7.882 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.412 -6.420 -6.173 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.270 -8.541 -6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.328 -8.178 -8.402 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.840 -9.796 -5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.425 -10.046 -6.623 1.00 0.00 H new ATOM 394 N LEU A 29 0.191 -3.547 -6.774 1.00 0.00 N ATOM 395 CA LEU A 29 0.313 -2.294 -6.037 1.00 0.00 C ATOM 396 C LEU A 29 -0.980 -1.972 -5.293 1.00 0.00 C ATOM 397 O LEU A 29 -0.972 -1.759 -4.081 1.00 0.00 O ATOM 398 CB LEU A 29 0.664 -1.150 -6.990 1.00 0.00 C ATOM 399 CG LEU A 29 2.153 -0.937 -7.263 1.00 0.00 C ATOM 400 CD1 LEU A 29 2.357 -0.225 -8.591 1.00 0.00 C ATOM 401 CD2 LEU A 29 2.795 -0.150 -6.130 1.00 0.00 C ATOM 0 H LEU A 29 0.573 -3.519 -7.719 1.00 0.00 H new ATOM 0 HA LEU A 29 1.113 -2.408 -5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.163 -1.329 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.254 -0.226 -6.583 1.00 0.00 H new ATOM 0 HG LEU A 29 2.635 -1.913 -7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.423 -0.083 -8.767 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.933 -0.827 -9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.861 0.745 -8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.855 -0.008 -6.341 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.309 0.822 -6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.682 -0.699 -5.195 1.00 0.00 H new ATOM 413 N GLU A 30 -2.087 -1.940 -6.028 1.00 0.00 N ATOM 414 CA GLU A 30 -3.387 -1.646 -5.436 1.00 0.00 C ATOM 415 C GLU A 30 -3.477 -2.199 -4.017 1.00 0.00 C ATOM 416 O GLU A 30 -3.679 -1.451 -3.060 1.00 0.00 O ATOM 417 CB GLU A 30 -4.508 -2.233 -6.296 1.00 0.00 C ATOM 418 CG GLU A 30 -4.387 -1.890 -7.771 1.00 0.00 C ATOM 419 CD GLU A 30 -4.307 -0.396 -8.018 1.00 0.00 C ATOM 420 OE1 GLU A 30 -5.315 0.300 -7.778 1.00 0.00 O ATOM 421 OE2 GLU A 30 -3.235 0.076 -8.452 1.00 0.00 O ATOM 0 H GLU A 30 -2.110 -2.114 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.501 -0.563 -5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.511 -3.317 -6.183 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.467 -1.871 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.498 -2.370 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.244 -2.298 -8.306 1.00 0.00 H new ATOM 428 N ILE A 31 -3.326 -3.513 -3.890 1.00 0.00 N ATOM 429 CA ILE A 31 -3.389 -4.167 -2.588 1.00 0.00 C ATOM 430 C ILE A 31 -2.413 -3.530 -1.605 1.00 0.00 C ATOM 431 O ILE A 31 -2.739 -3.322 -0.436 1.00 0.00 O ATOM 432 CB ILE A 31 -3.081 -5.672 -2.698 1.00 0.00 C ATOM 433 CG1 ILE A 31 -4.004 -6.330 -3.726 1.00 0.00 C ATOM 434 CG2 ILE A 31 -3.227 -6.343 -1.341 1.00 0.00 C ATOM 435 CD1 ILE A 31 -3.413 -7.566 -4.365 1.00 0.00 C ATOM 0 H ILE A 31 -3.159 -4.146 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.407 -4.039 -2.220 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.051 -5.793 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.944 -6.595 -3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.241 -5.606 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.006 -7.406 -1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.532 -5.889 -0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.247 -6.215 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.122 -7.979 -5.082 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.488 -7.303 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.202 -8.308 -3.595 1.00 0.00 H new ATOM 447 N LEU A 32 -1.214 -3.221 -2.087 1.00 0.00 N ATOM 448 CA LEU A 32 -0.189 -2.605 -1.252 1.00 0.00 C ATOM 449 C LEU A 32 -0.628 -1.223 -0.781 1.00 0.00 C ATOM 450 O LEU A 32 -0.500 -0.887 0.397 1.00 0.00 O ATOM 451 CB LEU A 32 1.129 -2.500 -2.021 1.00 0.00 C ATOM 452 CG LEU A 32 1.608 -3.778 -2.710 1.00 0.00 C ATOM 453 CD1 LEU A 32 2.828 -3.494 -3.572 1.00 0.00 C ATOM 454 CD2 LEU A 32 1.919 -4.854 -1.680 1.00 0.00 C ATOM 0 H LEU A 32 -0.928 -3.387 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.042 -3.237 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.025 -1.721 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.905 -2.171 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 32 0.809 -4.142 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.155 -4.415 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.572 -2.757 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.633 -3.106 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.259 -5.757 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.701 -4.500 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.021 -5.078 -1.105 1.00 0.00 H new ATOM 466 N TYR A 33 -1.148 -0.426 -1.707 1.00 0.00 N ATOM 467 CA TYR A 33 -1.607 0.921 -1.388 1.00 0.00 C ATOM 468 C TYR A 33 -2.770 0.880 -0.401 1.00 0.00 C ATOM 469 O TYR A 33 -2.790 1.621 0.582 1.00 0.00 O ATOM 470 CB TYR A 33 -2.029 1.655 -2.662 1.00 0.00 C ATOM 471 CG TYR A 33 -0.872 2.260 -3.424 1.00 0.00 C ATOM 472 CD1 TYR A 33 -0.036 3.196 -2.828 1.00 0.00 C ATOM 473 CD2 TYR A 33 -0.615 1.896 -4.740 1.00 0.00 C ATOM 474 CE1 TYR A 33 1.022 3.753 -3.520 1.00 0.00 C ATOM 475 CE2 TYR A 33 0.441 2.446 -5.440 1.00 0.00 C ATOM 476 CZ TYR A 33 1.257 3.374 -4.826 1.00 0.00 C ATOM 477 OH TYR A 33 2.309 3.925 -5.520 1.00 0.00 O ATOM 0 H TYR A 33 -1.262 -0.689 -2.686 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.780 1.459 -0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.558 0.960 -3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.733 2.445 -2.400 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.216 3.493 -1.806 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.252 1.170 -5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.661 4.480 -3.042 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.627 2.151 -6.462 1.00 0.00 H new ATOM 0 HH TYR A 33 2.336 3.550 -6.425 1.00 0.00 H new ATOM 487 N GLN A 34 -3.737 0.010 -0.672 1.00 0.00 N ATOM 488 CA GLN A 34 -4.904 -0.128 0.191 1.00 0.00 C ATOM 489 C GLN A 34 -4.488 -0.470 1.618 1.00 0.00 C ATOM 490 O GLN A 34 -5.108 -0.019 2.582 1.00 0.00 O ATOM 491 CB GLN A 34 -5.841 -1.208 -0.352 1.00 0.00 C ATOM 492 CG GLN A 34 -6.884 -0.676 -1.322 1.00 0.00 C ATOM 493 CD GLN A 34 -7.897 0.230 -0.651 1.00 0.00 C ATOM 494 OE1 GLN A 34 -7.566 1.511 -0.543 1.00 0.00 O flip ATOM 495 NE2 GLN A 34 -8.966 -0.216 -0.233 1.00 0.00 N flip ATOM 0 H GLN A 34 -3.736 -0.610 -1.482 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.430 0.827 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.248 -1.974 -0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.347 -1.692 0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.385 -0.128 -2.121 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.403 -1.514 -1.787 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.180 -1.208 -0.337 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.637 0.406 0.217 1.00 0.00 H new ATOM 504 N LYS A 35 -3.435 -1.269 1.747 1.00 0.00 N ATOM 505 CA LYS A 35 -2.935 -1.672 3.056 1.00 0.00 C ATOM 506 C LYS A 35 -2.156 -0.537 3.713 1.00 0.00 C ATOM 507 O LYS A 35 -2.163 -0.393 4.936 1.00 0.00 O ATOM 508 CB LYS A 35 -2.042 -2.908 2.926 1.00 0.00 C ATOM 509 CG LYS A 35 -2.756 -4.114 2.340 1.00 0.00 C ATOM 510 CD LYS A 35 -3.410 -4.956 3.423 1.00 0.00 C ATOM 511 CE LYS A 35 -4.281 -6.052 2.828 1.00 0.00 C ATOM 512 NZ LYS A 35 -4.942 -6.869 3.883 1.00 0.00 N ATOM 0 H LYS A 35 -2.910 -1.651 0.960 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.791 -1.915 3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.185 -2.663 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.652 -3.169 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.513 -3.780 1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.045 -4.724 1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.640 -5.403 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.016 -4.317 4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.040 -5.605 2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.671 -6.698 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.715 -7.873 3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.601 -6.569 4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.972 -6.735 3.831 1.00 0.00 H new ATOM 526 N TYR A 36 -1.486 0.267 2.894 1.00 0.00 N ATOM 527 CA TYR A 36 -0.702 1.388 3.396 1.00 0.00 C ATOM 528 C TYR A 36 -1.609 2.516 3.877 1.00 0.00 C ATOM 529 O TYR A 36 -1.482 2.994 5.005 1.00 0.00 O ATOM 530 CB TYR A 36 0.242 1.906 2.309 1.00 0.00 C ATOM 531 CG TYR A 36 1.019 3.137 2.717 1.00 0.00 C ATOM 532 CD1 TYR A 36 0.465 4.405 2.593 1.00 0.00 C ATOM 533 CD2 TYR A 36 2.308 3.032 3.225 1.00 0.00 C ATOM 534 CE1 TYR A 36 1.171 5.533 2.964 1.00 0.00 C ATOM 535 CE2 TYR A 36 3.021 4.154 3.600 1.00 0.00 C ATOM 536 CZ TYR A 36 2.449 5.402 3.467 1.00 0.00 C ATOM 537 OH TYR A 36 3.156 6.522 3.838 1.00 0.00 O ATOM 0 H TYR A 36 -1.471 0.163 1.879 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.112 1.035 4.242 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.944 1.116 2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.338 2.133 1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.535 4.511 2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.760 2.057 3.328 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.725 6.511 2.861 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.021 4.055 3.995 1.00 0.00 H new ATOM 0 HH TYR A 36 3.109 6.631 4.811 1.00 0.00 H new ATOM 547 N LEU A 37 -2.527 2.937 3.013 1.00 0.00 N ATOM 548 CA LEU A 37 -3.458 4.009 3.347 1.00 0.00 C ATOM 549 C LEU A 37 -4.103 3.765 4.708 1.00 0.00 C ATOM 550 O LEU A 37 -4.315 4.699 5.483 1.00 0.00 O ATOM 551 CB LEU A 37 -4.539 4.126 2.271 1.00 0.00 C ATOM 552 CG LEU A 37 -4.045 4.402 0.851 1.00 0.00 C ATOM 553 CD1 LEU A 37 -5.102 4.003 -0.168 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.673 5.868 0.691 1.00 0.00 C ATOM 0 H LEU A 37 -2.646 2.552 2.076 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.898 4.943 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.115 3.200 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.224 4.924 2.558 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.153 3.801 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.733 4.206 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.319 2.939 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.012 4.577 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.324 6.046 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.547 6.489 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.881 6.122 1.396 1.00 0.00 H new ATOM 566 N LEU A 38 -4.410 2.505 4.994 1.00 0.00 N ATOM 567 CA LEU A 38 -5.029 2.138 6.263 1.00 0.00 C ATOM 568 C LEU A 38 -3.972 1.910 7.338 1.00 0.00 C ATOM 569 O LEU A 38 -4.210 2.159 8.520 1.00 0.00 O ATOM 570 CB LEU A 38 -5.879 0.877 6.092 1.00 0.00 C ATOM 571 CG LEU A 38 -5.145 -0.454 6.259 1.00 0.00 C ATOM 572 CD1 LEU A 38 -5.141 -0.883 7.718 1.00 0.00 C ATOM 573 CD2 LEU A 38 -5.783 -1.527 5.388 1.00 0.00 C ATOM 0 H LEU A 38 -4.241 1.720 4.365 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.670 2.961 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.695 0.912 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.330 0.899 5.100 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.112 -0.320 5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.614 -1.832 7.817 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.639 -0.125 8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.167 -1.000 8.066 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.248 -2.468 5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.825 -1.659 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.733 -1.224 4.342 1.00 0.00 H new ATOM 585 N ASP A 39 -2.802 1.438 6.921 1.00 0.00 N ATOM 586 CA ASP A 39 -1.707 1.180 7.848 1.00 0.00 C ATOM 587 C ASP A 39 -0.358 1.348 7.155 1.00 0.00 C ATOM 588 O ASP A 39 0.053 0.503 6.360 1.00 0.00 O ATOM 589 CB ASP A 39 -1.823 -0.230 8.429 1.00 0.00 C ATOM 590 CG ASP A 39 -0.474 -0.825 8.781 1.00 0.00 C ATOM 591 OD1 ASP A 39 0.438 -0.052 9.144 1.00 0.00 O ATOM 592 OD2 ASP A 39 -0.328 -2.062 8.692 1.00 0.00 O ATOM 0 H ASP A 39 -2.588 1.226 5.946 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.772 1.905 8.659 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.448 -0.202 9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.325 -0.876 7.709 1.00 0.00 H new ATOM 597 N SER A 40 0.327 2.446 7.462 1.00 0.00 N ATOM 598 CA SER A 40 1.627 2.727 6.865 1.00 0.00 C ATOM 599 C SER A 40 2.749 2.484 7.869 1.00 0.00 C ATOM 600 O SER A 40 3.920 2.725 7.578 1.00 0.00 O ATOM 601 CB SER A 40 1.680 4.172 6.364 1.00 0.00 C ATOM 602 OG SER A 40 1.293 5.079 7.382 1.00 0.00 O ATOM 0 H SER A 40 0.003 3.155 8.120 1.00 0.00 H new ATOM 0 HA SER A 40 1.765 2.052 6.021 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.690 4.407 6.028 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.023 4.286 5.502 1.00 0.00 H new ATOM 0 HG SER A 40 1.337 5.995 7.038 1.00 0.00 H new ATOM 608 N ASN A 41 2.382 2.004 9.053 1.00 0.00 N ATOM 609 CA ASN A 41 3.358 1.728 10.102 1.00 0.00 C ATOM 610 C ASN A 41 3.260 0.278 10.567 1.00 0.00 C ATOM 611 O ASN A 41 3.255 -0.018 11.762 1.00 0.00 O ATOM 612 CB ASN A 41 3.143 2.671 11.287 1.00 0.00 C ATOM 613 CG ASN A 41 3.949 3.949 11.162 1.00 0.00 C ATOM 614 OD1 ASN A 41 3.403 5.050 11.240 1.00 0.00 O ATOM 615 ND2 ASN A 41 5.255 3.809 10.965 1.00 0.00 N ATOM 0 H ASN A 41 1.417 1.798 9.310 1.00 0.00 H new ATOM 0 HA ASN A 41 4.354 1.893 9.691 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.084 2.918 11.364 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.418 2.160 12.209 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.848 4.634 10.872 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.665 2.877 10.907 1.00 0.00 H new ATOM 622 N PRO A 42 3.183 -0.649 9.600 1.00 0.00 N ATOM 623 CA PRO A 42 3.086 -2.084 9.886 1.00 0.00 C ATOM 624 C PRO A 42 4.381 -2.649 10.461 1.00 0.00 C ATOM 625 O PRO A 42 5.316 -1.907 10.760 1.00 0.00 O ATOM 626 CB PRO A 42 2.796 -2.700 8.515 1.00 0.00 C ATOM 627 CG PRO A 42 3.360 -1.728 7.536 1.00 0.00 C ATOM 628 CD PRO A 42 3.185 -0.369 8.155 1.00 0.00 C ATOM 0 HA PRO A 42 2.324 -2.300 10.635 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.263 -3.680 8.414 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.726 -2.840 8.362 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.412 -1.936 7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.841 -1.791 6.580 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.995 0.306 7.878 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.255 0.101 7.836 1.00 0.00 H new ATOM 636 N THR A 43 4.429 -3.969 10.613 1.00 0.00 N ATOM 637 CA THR A 43 5.608 -4.634 11.152 1.00 0.00 C ATOM 638 C THR A 43 5.911 -5.920 10.391 1.00 0.00 C ATOM 639 O THR A 43 5.057 -6.444 9.676 1.00 0.00 O ATOM 640 CB THR A 43 5.432 -4.965 12.646 1.00 0.00 C ATOM 641 OG1 THR A 43 6.668 -5.440 13.191 1.00 0.00 O ATOM 642 CG2 THR A 43 4.348 -6.014 12.844 1.00 0.00 C ATOM 0 H THR A 43 3.664 -4.599 10.370 1.00 0.00 H new ATOM 0 HA THR A 43 6.442 -3.942 11.036 1.00 0.00 H new ATOM 0 HB THR A 43 5.133 -4.054 13.165 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.548 -5.647 14.141 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.242 -6.231 13.907 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.402 -5.638 12.454 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.622 -6.925 12.313 1.00 0.00 H new ATOM 650 N ARG A 44 7.131 -6.422 10.549 1.00 0.00 N ATOM 651 CA ARG A 44 7.546 -7.647 9.876 1.00 0.00 C ATOM 652 C ARG A 44 6.379 -8.622 9.751 1.00 0.00 C ATOM 653 O ARG A 44 6.166 -9.221 8.697 1.00 0.00 O ATOM 654 CB ARG A 44 8.697 -8.308 10.637 1.00 0.00 C ATOM 655 CG ARG A 44 10.072 -7.844 10.184 1.00 0.00 C ATOM 656 CD ARG A 44 10.251 -6.348 10.388 1.00 0.00 C ATOM 657 NE ARG A 44 10.060 -5.959 11.783 1.00 0.00 N ATOM 658 CZ ARG A 44 10.586 -4.863 12.318 1.00 0.00 C ATOM 659 NH1 ARG A 44 11.330 -4.051 11.580 1.00 0.00 N ATOM 660 NH2 ARG A 44 10.367 -4.577 13.595 1.00 0.00 N ATOM 0 H ARG A 44 7.849 -6.000 11.137 1.00 0.00 H new ATOM 0 HA ARG A 44 7.885 -7.383 8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.585 -8.100 11.701 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.629 -9.389 10.515 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.840 -8.382 10.739 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.211 -8.088 9.131 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.249 -6.055 10.063 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.541 -5.809 9.761 1.00 0.00 H new ATOM 0 HE ARG A 44 9.492 -6.562 12.378 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.500 -4.267 10.598 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.732 -3.210 11.994 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.795 -5.199 14.166 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.771 -3.735 14.006 1.00 0.00 H new ATOM 674 N LYS A 45 5.625 -8.775 10.835 1.00 0.00 N ATOM 675 CA LYS A 45 4.479 -9.676 10.849 1.00 0.00 C ATOM 676 C LYS A 45 3.514 -9.346 9.715 1.00 0.00 C ATOM 677 O LYS A 45 3.102 -10.227 8.961 1.00 0.00 O ATOM 678 CB LYS A 45 3.752 -9.590 12.193 1.00 0.00 C ATOM 679 CG LYS A 45 2.943 -10.831 12.527 1.00 0.00 C ATOM 680 CD LYS A 45 3.842 -12.011 12.855 1.00 0.00 C ATOM 681 CE LYS A 45 4.205 -12.042 14.332 1.00 0.00 C ATOM 682 NZ LYS A 45 5.342 -12.964 14.604 1.00 0.00 N ATOM 0 H LYS A 45 5.788 -8.286 11.715 1.00 0.00 H new ATOM 0 HA LYS A 45 4.846 -10.692 10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.484 -9.420 12.982 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.088 -8.726 12.183 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.290 -10.623 13.375 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.300 -11.085 11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.339 -12.939 12.583 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.751 -11.954 12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.465 -11.037 14.663 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.337 -12.354 14.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.559 -12.957 15.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.085 -13.928 14.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.178 -12.652 14.070 1.00 0.00 H new ATOM 696 N MET A 46 3.158 -8.070 9.599 1.00 0.00 N ATOM 697 CA MET A 46 2.243 -7.624 8.555 1.00 0.00 C ATOM 698 C MET A 46 2.909 -7.691 7.184 1.00 0.00 C ATOM 699 O MET A 46 2.349 -8.245 6.237 1.00 0.00 O ATOM 700 CB MET A 46 1.772 -6.196 8.836 1.00 0.00 C ATOM 701 CG MET A 46 1.185 -6.013 10.227 1.00 0.00 C ATOM 702 SD MET A 46 -0.595 -6.296 10.272 1.00 0.00 S ATOM 703 CE MET A 46 -0.680 -8.004 9.740 1.00 0.00 C ATOM 0 H MET A 46 3.489 -7.328 10.215 1.00 0.00 H new ATOM 0 HA MET A 46 1.380 -8.290 8.554 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.613 -5.514 8.713 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.023 -5.916 8.095 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.676 -6.699 10.917 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.397 -5.003 10.577 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.634 -8.433 10.046 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.592 -8.052 8.655 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.134 -8.568 10.195 1.00 0.00 H new ATOM 713 N LEU A 47 4.106 -7.123 7.084 1.00 0.00 N ATOM 714 CA LEU A 47 4.848 -7.118 5.828 1.00 0.00 C ATOM 715 C LEU A 47 4.908 -8.518 5.226 1.00 0.00 C ATOM 716 O LEU A 47 4.798 -8.688 4.011 1.00 0.00 O ATOM 717 CB LEU A 47 6.265 -6.586 6.052 1.00 0.00 C ATOM 718 CG LEU A 47 6.368 -5.175 6.633 1.00 0.00 C ATOM 719 CD1 LEU A 47 7.820 -4.817 6.909 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.737 -4.163 5.688 1.00 0.00 C ATOM 0 H LEU A 47 4.583 -6.660 7.857 1.00 0.00 H new ATOM 0 HA LEU A 47 4.327 -6.464 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.788 -7.271 6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.793 -6.604 5.099 1.00 0.00 H new ATOM 0 HG LEU A 47 5.823 -5.150 7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.874 -3.810 7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.240 -5.525 7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.388 -4.859 5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.819 -3.164 6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.254 -4.190 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.685 -4.409 5.541 1.00 0.00 H new ATOM 732 N ASP A 48 5.080 -9.519 6.083 1.00 0.00 N ATOM 733 CA ASP A 48 5.151 -10.905 5.636 1.00 0.00 C ATOM 734 C ASP A 48 3.807 -11.366 5.080 1.00 0.00 C ATOM 735 O ASP A 48 3.737 -11.936 3.991 1.00 0.00 O ATOM 736 CB ASP A 48 5.579 -11.814 6.789 1.00 0.00 C ATOM 737 CG ASP A 48 6.100 -13.154 6.307 1.00 0.00 C ATOM 738 OD1 ASP A 48 7.159 -13.176 5.645 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.449 -14.180 6.593 1.00 0.00 O ATOM 0 H ASP A 48 5.173 -9.396 7.091 1.00 0.00 H new ATOM 0 HA ASP A 48 5.894 -10.967 4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.353 -11.315 7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.731 -11.975 7.455 1.00 0.00 H new ATOM 744 N HIS A 49 2.743 -11.116 5.835 1.00 0.00 N ATOM 745 CA HIS A 49 1.401 -11.506 5.418 1.00 0.00 C ATOM 746 C HIS A 49 1.009 -10.803 4.122 1.00 0.00 C ATOM 747 O HIS A 49 0.693 -11.452 3.124 1.00 0.00 O ATOM 748 CB HIS A 49 0.388 -11.178 6.516 1.00 0.00 C ATOM 749 CG HIS A 49 -0.996 -11.669 6.220 1.00 0.00 C ATOM 750 ND1 HIS A 49 -1.437 -12.930 6.563 1.00 0.00 N ATOM 751 CD2 HIS A 49 -2.040 -11.061 5.610 1.00 0.00 C ATOM 752 CE1 HIS A 49 -2.691 -13.076 6.176 1.00 0.00 C ATOM 753 NE2 HIS A 49 -3.081 -11.956 5.595 1.00 0.00 N ATOM 0 H HIS A 49 2.784 -10.645 6.739 1.00 0.00 H new ATOM 0 HA HIS A 49 1.400 -12.582 5.242 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.727 -11.616 7.455 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.358 -10.098 6.661 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.052 -10.058 5.209 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.295 -13.961 6.312 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -4.005 -11.784 5.199 1.00 0.00 H new ATOM 762 N ILE A 50 1.031 -9.475 4.144 1.00 0.00 N ATOM 763 CA ILE A 50 0.679 -8.686 2.971 1.00 0.00 C ATOM 764 C ILE A 50 1.413 -9.186 1.731 1.00 0.00 C ATOM 765 O ILE A 50 0.806 -9.402 0.683 1.00 0.00 O ATOM 766 CB ILE A 50 1.001 -7.194 3.178 1.00 0.00 C ATOM 767 CG1 ILE A 50 0.244 -6.650 4.391 1.00 0.00 C ATOM 768 CG2 ILE A 50 0.653 -6.398 1.929 1.00 0.00 C ATOM 769 CD1 ILE A 50 0.959 -5.513 5.089 1.00 0.00 C ATOM 0 H ILE A 50 1.289 -8.923 4.962 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.395 -8.800 2.825 1.00 0.00 H new ATOM 0 HB ILE A 50 2.070 -7.091 3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.740 -6.308 4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.084 -7.460 5.103 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.886 -5.346 2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.233 -6.772 1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.410 -6.505 1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.365 -5.177 5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.933 -5.856 5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.095 -4.686 4.392 1.00 0.00 H new ATOM 781 N ALA A 51 2.723 -9.370 1.860 1.00 0.00 N ATOM 782 CA ALA A 51 3.539 -9.848 0.752 1.00 0.00 C ATOM 783 C ALA A 51 3.140 -11.263 0.346 1.00 0.00 C ATOM 784 O ALA A 51 3.395 -11.693 -0.779 1.00 0.00 O ATOM 785 CB ALA A 51 5.014 -9.800 1.123 1.00 0.00 C ATOM 0 H ALA A 51 3.241 -9.195 2.721 1.00 0.00 H new ATOM 0 HA ALA A 51 3.368 -9.191 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.612 -10.160 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.297 -8.774 1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.191 -10.432 1.993 1.00 0.00 H new ATOM 791 N HIS A 52 2.513 -11.984 1.271 1.00 0.00 N ATOM 792 CA HIS A 52 2.078 -13.351 1.009 1.00 0.00 C ATOM 793 C HIS A 52 0.764 -13.365 0.234 1.00 0.00 C ATOM 794 O HIS A 52 0.549 -14.220 -0.625 1.00 0.00 O ATOM 795 CB HIS A 52 1.917 -14.118 2.322 1.00 0.00 C ATOM 796 CG HIS A 52 1.333 -15.486 2.149 1.00 0.00 C ATOM 797 ND1 HIS A 52 2.102 -16.626 2.050 1.00 0.00 N ATOM 798 CD2 HIS A 52 0.045 -15.894 2.060 1.00 0.00 C ATOM 799 CE1 HIS A 52 1.314 -17.676 1.905 1.00 0.00 C ATOM 800 NE2 HIS A 52 0.060 -17.259 1.909 1.00 0.00 N ATOM 0 H HIS A 52 2.295 -11.644 2.208 1.00 0.00 H new ATOM 0 HA HIS A 52 2.842 -13.839 0.403 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.891 -14.206 2.804 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.280 -13.542 2.994 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.831 -15.264 2.100 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.639 -18.701 1.801 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.763 -17.854 1.815 1.00 0.00 H new ATOM 809 N GLU A 53 -0.110 -12.412 0.543 1.00 0.00 N ATOM 810 CA GLU A 53 -1.403 -12.317 -0.124 1.00 0.00 C ATOM 811 C GLU A 53 -1.258 -11.677 -1.502 1.00 0.00 C ATOM 812 O GLU A 53 -1.942 -12.059 -2.451 1.00 0.00 O ATOM 813 CB GLU A 53 -2.382 -11.506 0.727 1.00 0.00 C ATOM 814 CG GLU A 53 -2.265 -10.005 0.527 1.00 0.00 C ATOM 815 CD GLU A 53 -3.419 -9.241 1.146 1.00 0.00 C ATOM 816 OE1 GLU A 53 -3.531 -9.242 2.390 1.00 0.00 O ATOM 817 OE2 GLU A 53 -4.210 -8.643 0.388 1.00 0.00 O ATOM 0 H GLU A 53 0.054 -11.696 1.250 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.793 -13.327 -0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.400 -11.817 0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.214 -11.738 1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.329 -9.656 0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.221 -9.787 -0.540 1.00 0.00 H new ATOM 824 N VAL A 54 -0.363 -10.699 -1.602 1.00 0.00 N ATOM 825 CA VAL A 54 -0.128 -10.005 -2.863 1.00 0.00 C ATOM 826 C VAL A 54 0.694 -10.864 -3.818 1.00 0.00 C ATOM 827 O VAL A 54 0.609 -10.712 -5.035 1.00 0.00 O ATOM 828 CB VAL A 54 0.600 -8.666 -2.639 1.00 0.00 C ATOM 829 CG1 VAL A 54 0.488 -7.785 -3.874 1.00 0.00 C ATOM 830 CG2 VAL A 54 0.043 -7.956 -1.415 1.00 0.00 C ATOM 0 H VAL A 54 0.211 -10.370 -0.826 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.105 -9.810 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 54 1.656 -8.871 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.008 -6.843 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.938 -8.294 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.563 -7.585 -4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.569 -7.012 -1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.020 -7.761 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.180 -8.585 -0.536 1.00 0.00 H new ATOM 840 N GLY A 55 1.490 -11.769 -3.255 1.00 0.00 N ATOM 841 CA GLY A 55 2.316 -12.639 -4.071 1.00 0.00 C ATOM 842 C GLY A 55 3.555 -11.940 -4.594 1.00 0.00 C ATOM 843 O GLY A 55 3.982 -12.181 -5.724 1.00 0.00 O ATOM 0 H GLY A 55 1.577 -11.915 -2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.613 -13.508 -3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.729 -13.008 -4.912 1.00 0.00 H new ATOM 847 N LEU A 56 4.133 -11.071 -3.773 1.00 0.00 N ATOM 848 CA LEU A 56 5.331 -10.333 -4.159 1.00 0.00 C ATOM 849 C LEU A 56 6.454 -10.553 -3.152 1.00 0.00 C ATOM 850 O LEU A 56 6.206 -10.821 -1.976 1.00 0.00 O ATOM 851 CB LEU A 56 5.018 -8.840 -4.275 1.00 0.00 C ATOM 852 CG LEU A 56 5.912 -8.039 -5.222 1.00 0.00 C ATOM 853 CD1 LEU A 56 5.790 -8.564 -6.644 1.00 0.00 C ATOM 854 CD2 LEU A 56 5.558 -6.560 -5.166 1.00 0.00 C ATOM 0 H LEU A 56 3.792 -10.860 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 56 5.661 -10.705 -5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.984 -8.730 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.086 -8.397 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 56 6.947 -8.157 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.433 -7.981 -7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.093 -9.611 -6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.756 -8.477 -6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.204 -6.005 -5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.518 -6.423 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.698 -6.191 -4.150 1.00 0.00 H new ATOM 866 N LYS A 57 7.693 -10.434 -3.619 1.00 0.00 N ATOM 867 CA LYS A 57 8.856 -10.616 -2.759 1.00 0.00 C ATOM 868 C LYS A 57 8.715 -9.807 -1.474 1.00 0.00 C ATOM 869 O LYS A 57 8.617 -8.580 -1.508 1.00 0.00 O ATOM 870 CB LYS A 57 10.131 -10.202 -3.498 1.00 0.00 C ATOM 871 CG LYS A 57 10.376 -10.986 -4.775 1.00 0.00 C ATOM 872 CD LYS A 57 11.206 -12.232 -4.514 1.00 0.00 C ATOM 873 CE LYS A 57 12.686 -11.902 -4.395 1.00 0.00 C ATOM 874 NZ LYS A 57 13.430 -12.954 -3.649 1.00 0.00 N ATOM 0 H LYS A 57 7.917 -10.212 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 57 8.921 -11.672 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.073 -9.141 -3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.985 -10.331 -2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.421 -11.270 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.887 -10.352 -5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.865 -12.712 -3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.056 -12.947 -5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.115 -11.791 -5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.805 -10.944 -3.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.435 -12.692 -3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.038 -13.043 -2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.338 -13.863 -4.146 1.00 0.00 H new ATOM 888 N LYS A 58 8.705 -10.501 -0.341 1.00 0.00 N ATOM 889 CA LYS A 58 8.579 -9.847 0.956 1.00 0.00 C ATOM 890 C LYS A 58 9.433 -8.586 1.016 1.00 0.00 C ATOM 891 O LYS A 58 8.965 -7.526 1.433 1.00 0.00 O ATOM 892 CB LYS A 58 8.988 -10.807 2.076 1.00 0.00 C ATOM 893 CG LYS A 58 8.256 -10.564 3.384 1.00 0.00 C ATOM 894 CD LYS A 58 8.872 -9.414 4.162 1.00 0.00 C ATOM 895 CE LYS A 58 9.962 -9.899 5.104 1.00 0.00 C ATOM 896 NZ LYS A 58 9.402 -10.410 6.386 1.00 0.00 N ATOM 0 H LYS A 58 8.783 -11.517 -0.295 1.00 0.00 H new ATOM 0 HA LYS A 58 7.535 -9.563 1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.803 -11.831 1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.061 -10.716 2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.208 -10.346 3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.282 -11.470 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.288 -8.685 3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.097 -8.903 4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.536 -10.688 4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.654 -9.082 5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.178 -10.731 7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.875 -9.650 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.762 -11.206 6.192 1.00 0.00 H new ATOM 910 N ARG A 59 10.688 -8.706 0.594 1.00 0.00 N ATOM 911 CA ARG A 59 11.608 -7.575 0.599 1.00 0.00 C ATOM 912 C ARG A 59 11.016 -6.390 -0.159 1.00 0.00 C ATOM 913 O ARG A 59 10.872 -5.297 0.389 1.00 0.00 O ATOM 914 CB ARG A 59 12.947 -7.975 -0.023 1.00 0.00 C ATOM 915 CG ARG A 59 14.087 -7.033 0.326 1.00 0.00 C ATOM 916 CD ARG A 59 14.525 -7.201 1.772 1.00 0.00 C ATOM 917 NE ARG A 59 15.322 -8.409 1.966 1.00 0.00 N ATOM 918 CZ ARG A 59 16.612 -8.495 1.664 1.00 0.00 C ATOM 919 NH1 ARG A 59 17.249 -7.449 1.157 1.00 0.00 N ATOM 920 NH2 ARG A 59 17.269 -9.630 1.869 1.00 0.00 N ATOM 0 H ARG A 59 11.091 -9.575 0.244 1.00 0.00 H new ATOM 0 HA ARG A 59 11.772 -7.277 1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.205 -8.981 0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.837 -8.013 -1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.932 -7.222 -0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.774 -6.003 0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.106 -6.331 2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.646 -7.240 2.415 1.00 0.00 H new ATOM 0 HE ARG A 59 14.862 -9.232 2.355 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.748 -6.575 0.998 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.240 -7.518 0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.783 -10.437 2.259 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.260 -9.695 1.637 1.00 0.00 H new ATOM 934 N VAL A 60 10.676 -6.614 -1.425 1.00 0.00 N ATOM 935 CA VAL A 60 10.100 -5.566 -2.259 1.00 0.00 C ATOM 936 C VAL A 60 8.886 -4.934 -1.587 1.00 0.00 C ATOM 937 O VAL A 60 8.676 -3.724 -1.670 1.00 0.00 O ATOM 938 CB VAL A 60 9.685 -6.111 -3.638 1.00 0.00 C ATOM 939 CG1 VAL A 60 8.996 -5.028 -4.455 1.00 0.00 C ATOM 940 CG2 VAL A 60 10.894 -6.661 -4.379 1.00 0.00 C ATOM 0 H VAL A 60 10.790 -7.512 -1.895 1.00 0.00 H new ATOM 0 HA VAL A 60 10.872 -4.808 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 60 8.977 -6.926 -3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.710 -5.432 -5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.106 -4.686 -3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.678 -4.190 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.582 -7.042 -5.352 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.628 -5.867 -4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.340 -7.469 -3.799 1.00 0.00 H new ATOM 950 N VAL A 61 8.087 -5.762 -0.921 1.00 0.00 N ATOM 951 CA VAL A 61 6.894 -5.285 -0.232 1.00 0.00 C ATOM 952 C VAL A 61 7.259 -4.528 1.039 1.00 0.00 C ATOM 953 O VAL A 61 6.586 -3.568 1.416 1.00 0.00 O ATOM 954 CB VAL A 61 5.951 -6.449 0.129 1.00 0.00 C ATOM 955 CG1 VAL A 61 4.775 -5.947 0.953 1.00 0.00 C ATOM 956 CG2 VAL A 61 5.469 -7.153 -1.130 1.00 0.00 C ATOM 0 H VAL A 61 8.245 -6.767 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 61 6.381 -4.611 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 61 6.504 -7.170 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.120 -6.783 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.143 -5.492 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.218 -5.206 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.804 -7.972 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.932 -6.444 -1.760 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.325 -7.548 -1.677 1.00 0.00 H new ATOM 966 N GLN A 62 8.328 -4.966 1.696 1.00 0.00 N ATOM 967 CA GLN A 62 8.782 -4.328 2.927 1.00 0.00 C ATOM 968 C GLN A 62 9.349 -2.941 2.644 1.00 0.00 C ATOM 969 O GLN A 62 8.970 -1.961 3.287 1.00 0.00 O ATOM 970 CB GLN A 62 9.839 -5.194 3.614 1.00 0.00 C ATOM 971 CG GLN A 62 10.761 -4.411 4.535 1.00 0.00 C ATOM 972 CD GLN A 62 11.697 -5.306 5.323 1.00 0.00 C ATOM 973 OE1 GLN A 62 11.789 -5.205 6.546 1.00 0.00 O ATOM 974 NE2 GLN A 62 12.399 -6.191 4.624 1.00 0.00 N ATOM 0 H GLN A 62 8.896 -5.759 1.397 1.00 0.00 H new ATOM 0 HA GLN A 62 7.923 -4.221 3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.340 -5.973 4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.438 -5.694 2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.348 -3.709 3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.161 -3.820 5.227 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.292 -6.241 3.611 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.045 -6.820 5.100 1.00 0.00 H new ATOM 983 N VAL A 63 10.258 -2.864 1.678 1.00 0.00 N ATOM 984 CA VAL A 63 10.877 -1.597 1.309 1.00 0.00 C ATOM 985 C VAL A 63 9.861 -0.653 0.675 1.00 0.00 C ATOM 986 O VAL A 63 9.855 0.546 0.954 1.00 0.00 O ATOM 987 CB VAL A 63 12.047 -1.807 0.329 1.00 0.00 C ATOM 988 CG1 VAL A 63 12.645 -0.471 -0.083 1.00 0.00 C ATOM 989 CG2 VAL A 63 13.106 -2.706 0.949 1.00 0.00 C ATOM 0 H VAL A 63 10.582 -3.665 1.136 1.00 0.00 H new ATOM 0 HA VAL A 63 11.258 -1.152 2.228 1.00 0.00 H new ATOM 0 HB VAL A 63 11.665 -2.298 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.470 -0.640 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.881 0.135 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 63 13.013 0.051 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.925 -2.844 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 63 13.486 -2.245 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.667 -3.674 1.188 1.00 0.00 H new ATOM 999 N TRP A 64 9.004 -1.202 -0.177 1.00 0.00 N ATOM 1000 CA TRP A 64 7.982 -0.409 -0.851 1.00 0.00 C ATOM 1001 C TRP A 64 7.249 0.489 0.140 1.00 0.00 C ATOM 1002 O TRP A 64 6.769 1.564 -0.219 1.00 0.00 O ATOM 1003 CB TRP A 64 6.985 -1.323 -1.564 1.00 0.00 C ATOM 1004 CG TRP A 64 5.933 -0.575 -2.326 1.00 0.00 C ATOM 1005 CD1 TRP A 64 5.986 -0.195 -3.637 1.00 0.00 C ATOM 1006 CD2 TRP A 64 4.673 -0.116 -1.824 1.00 0.00 C ATOM 1007 NE1 TRP A 64 4.835 0.473 -3.979 1.00 0.00 N ATOM 1008 CE2 TRP A 64 4.013 0.534 -2.885 1.00 0.00 C ATOM 1009 CE3 TRP A 64 4.038 -0.193 -0.581 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 2.751 1.103 -2.738 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 2.786 0.373 -0.438 1.00 0.00 C ATOM 1012 CH2 TRP A 64 2.153 1.014 -1.511 1.00 0.00 C ATOM 0 H TRP A 64 8.996 -2.193 -0.418 1.00 0.00 H new ATOM 0 HA TRP A 64 8.476 0.223 -1.589 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.526 -1.974 -2.250 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.502 -1.966 -0.828 1.00 0.00 H new ATOM 0 HD1 TRP A 64 6.811 -0.391 -4.306 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.626 0.861 -4.899 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.517 -0.686 0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.261 1.597 -3.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.286 0.320 0.518 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.174 1.446 -1.367 1.00 0.00 H new ATOM 1023 N PHE A 65 7.166 0.041 1.389 1.00 0.00 N ATOM 1024 CA PHE A 65 6.490 0.805 2.431 1.00 0.00 C ATOM 1025 C PHE A 65 7.386 1.925 2.952 1.00 0.00 C ATOM 1026 O PHE A 65 6.962 3.076 3.051 1.00 0.00 O ATOM 1027 CB PHE A 65 6.083 -0.116 3.584 1.00 0.00 C ATOM 1028 CG PHE A 65 4.706 -0.695 3.431 1.00 0.00 C ATOM 1029 CD1 PHE A 65 4.428 -1.597 2.416 1.00 0.00 C ATOM 1030 CD2 PHE A 65 3.689 -0.338 4.302 1.00 0.00 C ATOM 1031 CE1 PHE A 65 3.161 -2.131 2.273 1.00 0.00 C ATOM 1032 CE2 PHE A 65 2.420 -0.868 4.163 1.00 0.00 C ATOM 1033 CZ PHE A 65 2.157 -1.767 3.148 1.00 0.00 C ATOM 0 H PHE A 65 7.558 -0.846 1.704 1.00 0.00 H new ATOM 0 HA PHE A 65 5.595 1.252 1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.804 -0.930 3.660 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.132 0.442 4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.210 -1.886 1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.890 0.363 5.099 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.957 -2.832 1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.635 -0.580 4.847 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.167 -2.185 3.039 1.00 0.00 H new ATOM 1043 N GLN A 66 8.625 1.578 3.284 1.00 0.00 N ATOM 1044 CA GLN A 66 9.580 2.554 3.796 1.00 0.00 C ATOM 1045 C GLN A 66 9.891 3.614 2.745 1.00 0.00 C ATOM 1046 O GLN A 66 10.205 4.757 3.077 1.00 0.00 O ATOM 1047 CB GLN A 66 10.870 1.856 4.231 1.00 0.00 C ATOM 1048 CG GLN A 66 11.843 1.610 3.090 1.00 0.00 C ATOM 1049 CD GLN A 66 13.210 1.167 3.573 1.00 0.00 C ATOM 1050 OE1 GLN A 66 14.133 1.975 3.687 1.00 0.00 O ATOM 1051 NE2 GLN A 66 13.348 -0.121 3.861 1.00 0.00 N ATOM 0 H GLN A 66 8.991 0.629 3.208 1.00 0.00 H new ATOM 0 HA GLN A 66 9.132 3.046 4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.362 2.461 4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.619 0.902 4.695 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.433 0.850 2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.947 2.523 2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.557 -0.756 3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.245 -0.476 4.191 1.00 0.00 H new ATOM 1060 N ASN A 67 9.802 3.227 1.477 1.00 0.00 N ATOM 1061 CA ASN A 67 10.074 4.145 0.377 1.00 0.00 C ATOM 1062 C ASN A 67 8.928 5.137 0.199 1.00 0.00 C ATOM 1063 O ASN A 67 9.149 6.339 0.048 1.00 0.00 O ATOM 1064 CB ASN A 67 10.297 3.367 -0.921 1.00 0.00 C ATOM 1065 CG ASN A 67 11.742 2.945 -1.102 1.00 0.00 C ATOM 1066 OD1 ASN A 67 11.948 1.702 -1.520 1.00 0.00 O flip ATOM 1067 ND2 ASN A 67 12.663 3.728 -0.868 1.00 0.00 N flip ATOM 0 H ASN A 67 9.544 2.284 1.186 1.00 0.00 H new ATOM 0 HA ASN A 67 10.979 4.703 0.618 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.660 2.483 -0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.993 3.983 -1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.459 4.675 -0.548 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.630 3.430 -0.994 1.00 0.00 H new ATOM 1074 N THR A 68 7.702 4.624 0.217 1.00 0.00 N ATOM 1075 CA THR A 68 6.521 5.463 0.057 1.00 0.00 C ATOM 1076 C THR A 68 6.486 6.570 1.105 1.00 0.00 C ATOM 1077 O THR A 68 6.321 7.744 0.775 1.00 0.00 O ATOM 1078 CB THR A 68 5.226 4.635 0.159 1.00 0.00 C ATOM 1079 OG1 THR A 68 5.197 3.641 -0.872 1.00 0.00 O ATOM 1080 CG2 THR A 68 4.001 5.529 0.043 1.00 0.00 C ATOM 0 H THR A 68 7.501 3.632 0.341 1.00 0.00 H new ATOM 0 HA THR A 68 6.582 5.908 -0.936 1.00 0.00 H new ATOM 0 HB THR A 68 5.209 4.147 1.134 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.571 2.803 -0.529 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.099 4.922 0.118 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.011 6.265 0.847 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.014 6.042 -0.919 1.00 0.00 H new ATOM 1088 N ARG A 69 6.644 6.188 2.368 1.00 0.00 N ATOM 1089 CA ARG A 69 6.630 7.149 3.464 1.00 0.00 C ATOM 1090 C ARG A 69 7.518 8.349 3.146 1.00 0.00 C ATOM 1091 O ARG A 69 7.061 9.492 3.158 1.00 0.00 O ATOM 1092 CB ARG A 69 7.098 6.484 4.760 1.00 0.00 C ATOM 1093 CG ARG A 69 5.970 5.864 5.568 1.00 0.00 C ATOM 1094 CD ARG A 69 6.462 5.363 6.917 1.00 0.00 C ATOM 1095 NE ARG A 69 6.873 6.458 7.791 1.00 0.00 N ATOM 1096 CZ ARG A 69 7.726 6.314 8.799 1.00 0.00 C ATOM 1097 NH1 ARG A 69 8.255 5.126 9.059 1.00 0.00 N ATOM 1098 NH2 ARG A 69 8.051 7.358 9.550 1.00 0.00 N ATOM 0 H ARG A 69 6.783 5.220 2.658 1.00 0.00 H new ATOM 0 HA ARG A 69 5.606 7.500 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.828 5.711 4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.609 7.225 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.181 6.601 5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.532 5.037 5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.671 4.790 7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.302 4.684 6.767 1.00 0.00 H new ATOM 0 HE ARG A 69 6.484 7.385 7.618 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.007 4.321 8.484 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.910 5.018 9.834 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.646 8.273 9.354 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.706 7.246 10.324 1.00 0.00 H new