USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 652 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 51 TYR OH : rot 18:sc= 0.714 USER MOD Set 1.2: A 90 SER OG : rot 58:sc= 1.25 USER MOD Set 1.3: A 94 ASN : amide:sc= 1.52 K(o=1,f=-4.9) USER MOD Set 1.4: A 97 MET CE :methyl -170:sc= -2.48 (180deg=-2.68) USER MOD Set 2.1: A 91 GLN : amide:sc= -0.18! C(o=0.2!,f=-3.9!) USER MOD Set 2.2: A 95 THR OG1 : rot 175:sc= 0.381 USER MOD Set 3.1: A 33 ASN : amide:sc= -5.38! C(o=-8.5!,f=-10!) USER MOD Set 3.2: A 47 ASN : amide:sc= -3.11! C(o=-8.5!,f=-2.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -5.36! C(o=-5.4!,f=-2.9!) USER MOD Single : A 30 SER OG : rot -60:sc= 0.131 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.455 K(o=-0.45,f=-5.2!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 34:sc= 1.17 USER MOD Single : A 43 THR OG1 : rot 178:sc= 1.07 USER MOD Single : A 52 CYS SG : rot 66:sc= 0.581 USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.037) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.191 USER MOD Single : A 63 MET CE :methyl -173:sc= 0 (180deg=-0.0561) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.447 X(o=0.45,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -155:sc= -0.294 (180deg=-1.22) USER MOD Single : A 85 GLN : amide:sc= -3.77! K(o=-3.8!,f=-0.18) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -175:sc= 1.21 USER MOD Single : A 102 LYS NZ :NH3+ -169:sc=-0.00247 (180deg=-0.116) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 336 N GLU A 26 -14.535 -1.759 -10.411 1.00 0.00 N ATOM 337 CA GLU A 26 -13.137 -2.161 -10.152 1.00 0.00 C ATOM 338 C GLU A 26 -13.040 -2.818 -8.761 1.00 0.00 C ATOM 339 O GLU A 26 -13.841 -2.526 -7.879 1.00 0.00 O ATOM 340 CB GLU A 26 -12.171 -0.971 -10.224 1.00 0.00 C ATOM 341 CG GLU A 26 -11.830 -0.587 -11.663 1.00 0.00 C ATOM 342 CD GLU A 26 -10.691 0.441 -11.704 1.00 0.00 C ATOM 343 OE1 GLU A 26 -9.526 -0.009 -11.693 1.00 0.00 O ATOM 344 OE2 GLU A 26 -11.009 1.637 -11.800 1.00 0.00 O ATOM 0 HA GLU A 26 -12.848 -2.870 -10.928 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.615 -0.114 -9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.254 -1.218 -9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.541 -1.477 -12.222 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.713 -0.176 -12.152 1.00 0.00 H new ATOM 351 N GLY A 27 -12.065 -3.708 -8.629 1.00 0.00 N ATOM 352 CA GLY A 27 -11.783 -4.466 -7.392 1.00 0.00 C ATOM 353 C GLY A 27 -11.609 -3.591 -6.136 1.00 0.00 C ATOM 354 O GLY A 27 -10.637 -2.859 -6.002 1.00 0.00 O ATOM 0 H GLY A 27 -11.426 -3.937 -9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.596 -5.171 -7.219 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.877 -5.054 -7.539 1.00 0.00 H new ATOM 358 N THR A 28 -12.559 -3.756 -5.209 1.00 0.00 N ATOM 359 CA THR A 28 -12.571 -3.021 -3.921 1.00 0.00 C ATOM 360 C THR A 28 -11.262 -3.207 -3.121 1.00 0.00 C ATOM 361 O THR A 28 -10.639 -4.267 -3.126 1.00 0.00 O ATOM 362 CB THR A 28 -13.808 -3.336 -3.052 1.00 0.00 C ATOM 363 OG1 THR A 28 -13.802 -2.484 -1.903 1.00 0.00 O ATOM 364 CG2 THR A 28 -13.939 -4.804 -2.627 1.00 0.00 C ATOM 0 H THR A 28 -13.343 -4.399 -5.321 1.00 0.00 H new ATOM 0 HA THR A 28 -12.640 -1.968 -4.193 1.00 0.00 H new ATOM 0 HB THR A 28 -14.679 -3.145 -3.679 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.586 -2.678 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 28 -14.836 -4.929 -2.021 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.009 -5.434 -3.513 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.064 -5.094 -2.044 1.00 0.00 H new ATOM 372 N GLN A 29 -10.886 -2.130 -2.434 1.00 0.00 N ATOM 373 CA GLN A 29 -9.600 -2.013 -1.736 1.00 0.00 C ATOM 374 C GLN A 29 -9.771 -1.523 -0.288 1.00 0.00 C ATOM 375 O GLN A 29 -10.793 -0.932 0.052 1.00 0.00 O ATOM 376 CB GLN A 29 -8.701 -1.062 -2.537 1.00 0.00 C ATOM 377 CG GLN A 29 -7.263 -1.595 -2.610 1.00 0.00 C ATOM 378 CD GLN A 29 -6.955 -2.616 -3.714 1.00 0.00 C ATOM 379 OE1 GLN A 29 -7.817 -3.364 -4.133 1.00 0.00 O ATOM 380 NE2 GLN A 29 -5.744 -2.678 -4.233 1.00 0.00 N ATOM 0 H GLN A 29 -11.472 -1.300 -2.343 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.139 -2.999 -1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.099 -0.941 -3.544 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.704 -0.076 -2.073 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.592 -0.745 -2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.021 -2.051 -1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.010 -2.057 -3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.541 -3.347 -4.976 1.00 0.00 H new ATOM 389 N SER A 30 -8.681 -1.625 0.476 1.00 0.00 N ATOM 390 CA SER A 30 -8.568 -1.348 1.938 1.00 0.00 C ATOM 391 C SER A 30 -9.386 -2.313 2.823 1.00 0.00 C ATOM 392 O SER A 30 -9.991 -3.249 2.297 1.00 0.00 O ATOM 393 CB SER A 30 -8.851 0.124 2.307 1.00 0.00 C ATOM 394 OG SER A 30 -10.242 0.430 2.214 1.00 0.00 O ATOM 0 H SER A 30 -7.789 -1.921 0.080 1.00 0.00 H new ATOM 0 HA SER A 30 -7.518 -1.538 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.502 0.319 3.321 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.288 0.781 1.644 1.00 0.00 H new ATOM 0 HG SER A 30 -10.548 0.285 1.294 1.00 0.00 H new ATOM 400 N LEU A 31 -9.091 -2.243 4.127 1.00 0.00 N ATOM 401 CA LEU A 31 -9.657 -3.027 5.248 1.00 0.00 C ATOM 402 C LEU A 31 -8.777 -4.082 5.949 1.00 0.00 C ATOM 403 O LEU A 31 -8.615 -3.941 7.161 1.00 0.00 O ATOM 404 CB LEU A 31 -11.071 -3.619 5.022 1.00 0.00 C ATOM 405 CG LEU A 31 -12.161 -2.560 4.859 1.00 0.00 C ATOM 406 CD1 LEU A 31 -13.407 -3.192 4.244 1.00 0.00 C ATOM 407 CD2 LEU A 31 -12.516 -1.931 6.214 1.00 0.00 C ATOM 0 H LEU A 31 -8.390 -1.581 4.461 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.720 -2.192 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.054 -4.250 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.325 -4.262 5.864 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.785 -1.777 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.181 -2.433 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.160 -3.608 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.771 -3.987 4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.294 -1.180 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.877 -2.705 6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.630 -1.460 6.640 1.00 0.00 H new ATOM 419 N PRO A 32 -8.114 -5.039 5.272 1.00 0.00 N ATOM 420 CA PRO A 32 -7.482 -6.200 5.935 1.00 0.00 C ATOM 421 C PRO A 32 -6.330 -5.861 6.903 1.00 0.00 C ATOM 422 O PRO A 32 -5.991 -6.659 7.770 1.00 0.00 O ATOM 423 CB PRO A 32 -7.021 -7.100 4.784 1.00 0.00 C ATOM 424 CG PRO A 32 -6.644 -6.098 3.687 1.00 0.00 C ATOM 425 CD PRO A 32 -7.679 -4.987 3.856 1.00 0.00 C ATOM 0 HA PRO A 32 -8.200 -6.683 6.597 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.172 -7.720 5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -7.813 -7.775 4.458 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.628 -5.724 3.815 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.695 -6.548 2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.249 -4.015 3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.524 -5.136 3.184 1.00 0.00 H new ATOM 433 N ASN A 33 -5.597 -4.828 6.517 1.00 0.00 N ATOM 434 CA ASN A 33 -4.493 -4.161 7.253 1.00 0.00 C ATOM 435 C ASN A 33 -4.089 -2.953 6.401 1.00 0.00 C ATOM 436 O ASN A 33 -4.231 -2.991 5.173 1.00 0.00 O ATOM 437 CB ASN A 33 -3.281 -5.089 7.440 1.00 0.00 C ATOM 438 CG ASN A 33 -2.699 -5.583 6.114 1.00 0.00 C ATOM 439 OD1 ASN A 33 -1.948 -4.903 5.448 1.00 0.00 O ATOM 440 ND2 ASN A 33 -3.125 -6.751 5.683 1.00 0.00 N ATOM 0 H ASN A 33 -5.758 -4.387 5.612 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.824 -3.877 8.252 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.507 -4.560 7.996 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.577 -5.947 8.043 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.824 -7.100 4.773 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.757 -7.308 6.259 1.00 0.00 H new ATOM 447 N MET A 34 -3.725 -1.866 7.069 1.00 0.00 N ATOM 448 CA MET A 34 -3.386 -0.598 6.397 1.00 0.00 C ATOM 449 C MET A 34 -2.434 0.320 7.194 1.00 0.00 C ATOM 450 O MET A 34 -2.775 1.429 7.594 1.00 0.00 O ATOM 451 CB MET A 34 -4.652 0.130 5.906 1.00 0.00 C ATOM 452 CG MET A 34 -5.797 0.269 6.920 1.00 0.00 C ATOM 453 SD MET A 34 -6.854 -1.215 7.038 1.00 0.00 S ATOM 454 CE MET A 34 -7.917 -0.729 8.378 1.00 0.00 C ATOM 0 H MET A 34 -3.654 -1.828 8.086 1.00 0.00 H new ATOM 0 HA MET A 34 -2.802 -0.876 5.520 1.00 0.00 H new ATOM 0 HB2 MET A 34 -4.365 1.128 5.576 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.032 -0.398 5.032 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.377 0.484 7.902 1.00 0.00 H new ATOM 0 HG3 MET A 34 -6.415 1.123 6.643 1.00 0.00 H new ATOM 0 HE1 MET A 34 -8.631 -1.527 8.584 1.00 0.00 H new ATOM 0 HE2 MET A 34 -7.317 -0.540 9.268 1.00 0.00 H new ATOM 0 HE3 MET A 34 -8.456 0.178 8.104 1.00 0.00 H new ATOM 464 N ILE A 35 -1.237 -0.203 7.435 1.00 0.00 N ATOM 465 CA ILE A 35 -0.145 0.550 8.092 1.00 0.00 C ATOM 466 C ILE A 35 1.236 0.252 7.494 1.00 0.00 C ATOM 467 O ILE A 35 1.738 -0.869 7.542 1.00 0.00 O ATOM 468 CB ILE A 35 -0.218 0.441 9.638 1.00 0.00 C ATOM 469 CG1 ILE A 35 0.791 1.400 10.278 1.00 0.00 C ATOM 470 CG2 ILE A 35 -0.074 -1.005 10.137 1.00 0.00 C ATOM 471 CD1 ILE A 35 0.502 1.743 11.740 1.00 0.00 C ATOM 0 H ILE A 35 -0.984 -1.159 7.185 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.303 1.605 7.870 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.215 0.747 9.955 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.785 0.958 10.212 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.813 2.323 9.699 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.132 -1.022 11.225 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.876 -1.615 9.721 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.889 -1.405 9.819 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.266 2.426 12.111 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.477 2.217 11.816 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.511 0.831 12.336 1.00 0.00 H new ATOM 483 N ILE A 36 1.728 1.215 6.729 1.00 0.00 N ATOM 484 CA ILE A 36 3.133 1.227 6.240 1.00 0.00 C ATOM 485 C ILE A 36 4.095 1.229 7.448 1.00 0.00 C ATOM 486 O ILE A 36 4.124 2.184 8.228 1.00 0.00 O ATOM 487 CB ILE A 36 3.380 2.457 5.334 1.00 0.00 C ATOM 488 CG1 ILE A 36 2.449 2.455 4.105 1.00 0.00 C ATOM 489 CG2 ILE A 36 4.850 2.474 4.879 1.00 0.00 C ATOM 490 CD1 ILE A 36 2.405 3.784 3.350 1.00 0.00 C ATOM 0 H ILE A 36 1.180 2.018 6.420 1.00 0.00 H new ATOM 0 HA ILE A 36 3.317 0.333 5.644 1.00 0.00 H new ATOM 0 HB ILE A 36 3.161 3.354 5.914 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.772 1.671 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.440 2.200 4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.023 3.341 4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.500 2.530 5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.069 1.563 4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.728 3.698 2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.052 4.570 4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.404 4.033 2.993 1.00 0.00 H new ATOM 502 N LEU A 37 4.966 0.224 7.486 1.00 0.00 N ATOM 503 CA LEU A 37 6.007 0.110 8.529 1.00 0.00 C ATOM 504 C LEU A 37 7.166 1.056 8.183 1.00 0.00 C ATOM 505 O LEU A 37 7.867 0.908 7.175 1.00 0.00 O ATOM 506 CB LEU A 37 6.430 -1.355 8.654 1.00 0.00 C ATOM 507 CG LEU A 37 7.105 -1.720 9.991 1.00 0.00 C ATOM 508 CD1 LEU A 37 7.087 -3.236 10.156 1.00 0.00 C ATOM 509 CD2 LEU A 37 8.557 -1.225 10.081 1.00 0.00 C ATOM 0 H LEU A 37 4.979 -0.534 6.804 1.00 0.00 H new ATOM 0 HA LEU A 37 5.631 0.414 9.506 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.550 -1.985 8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.116 -1.592 7.840 1.00 0.00 H new ATOM 0 HG LEU A 37 6.544 -1.227 10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.562 -3.505 11.099 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.056 -3.590 10.155 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.630 -3.698 9.331 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.980 -1.511 11.044 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.144 -1.673 9.279 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.578 -0.140 9.984 1.00 0.00 H new ATOM 521 N ASN A 38 7.329 2.023 9.069 1.00 0.00 N ATOM 522 CA ASN A 38 8.225 3.175 8.907 1.00 0.00 C ATOM 523 C ASN A 38 9.510 3.130 9.742 1.00 0.00 C ATOM 524 O ASN A 38 9.564 3.566 10.893 1.00 0.00 O ATOM 525 CB ASN A 38 7.430 4.468 9.194 1.00 0.00 C ATOM 526 CG ASN A 38 6.741 4.564 10.560 1.00 0.00 C ATOM 527 OD1 ASN A 38 6.276 3.594 11.147 1.00 0.00 O ATOM 528 ND2 ASN A 38 6.585 5.776 11.047 1.00 0.00 N ATOM 0 H ASN A 38 6.827 2.036 9.957 1.00 0.00 H new ATOM 0 HA ASN A 38 8.577 3.147 7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.110 5.314 9.096 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.670 4.579 8.421 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.074 5.913 11.919 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.975 6.578 10.553 1.00 0.00 H new ATOM 535 N ILE A 39 10.581 2.666 9.098 1.00 0.00 N ATOM 536 CA ILE A 39 11.926 2.674 9.714 1.00 0.00 C ATOM 537 C ILE A 39 12.853 3.608 8.918 1.00 0.00 C ATOM 538 O ILE A 39 13.576 3.208 8.008 1.00 0.00 O ATOM 539 CB ILE A 39 12.400 1.221 9.970 1.00 0.00 C ATOM 540 CG1 ILE A 39 13.605 1.108 10.918 1.00 0.00 C ATOM 541 CG2 ILE A 39 12.519 0.340 8.714 1.00 0.00 C ATOM 542 CD1 ILE A 39 14.970 1.631 10.437 1.00 0.00 C ATOM 0 H ILE A 39 10.553 2.280 8.154 1.00 0.00 H new ATOM 0 HA ILE A 39 11.927 3.110 10.713 1.00 0.00 H new ATOM 0 HB ILE A 39 11.566 0.783 10.518 1.00 0.00 H new ATOM 0 HG12 ILE A 39 13.353 1.636 11.838 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.726 0.056 11.177 1.00 0.00 H new ATOM 0 HG21 ILE A 39 12.857 -0.656 8.999 1.00 0.00 H new ATOM 0 HG22 ILE A 39 11.547 0.268 8.227 1.00 0.00 H new ATOM 0 HG23 ILE A 39 13.238 0.784 8.025 1.00 0.00 H new ATOM 0 HD11 ILE A 39 15.714 1.479 11.219 1.00 0.00 H new ATOM 0 HD12 ILE A 39 15.271 1.090 9.540 1.00 0.00 H new ATOM 0 HD13 ILE A 39 14.893 2.695 10.211 1.00 0.00 H new ATOM 554 N GLY A 40 12.713 4.899 9.232 1.00 0.00 N ATOM 555 CA GLY A 40 13.441 6.008 8.575 1.00 0.00 C ATOM 556 C GLY A 40 13.085 6.112 7.075 1.00 0.00 C ATOM 557 O GLY A 40 11.918 6.245 6.719 1.00 0.00 O ATOM 0 H GLY A 40 12.079 5.218 9.965 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.200 6.947 9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.515 5.855 8.685 1.00 0.00 H new ATOM 561 N ASN A 41 14.136 6.190 6.261 1.00 0.00 N ATOM 562 CA ASN A 41 14.018 6.138 4.780 1.00 0.00 C ATOM 563 C ASN A 41 13.429 4.799 4.284 1.00 0.00 C ATOM 564 O ASN A 41 12.625 4.783 3.357 1.00 0.00 O ATOM 565 CB ASN A 41 15.380 6.343 4.108 1.00 0.00 C ATOM 566 CG ASN A 41 15.972 7.728 4.386 1.00 0.00 C ATOM 567 OD1 ASN A 41 15.472 8.755 3.965 1.00 0.00 O ATOM 568 ND2 ASN A 41 17.080 7.761 5.093 1.00 0.00 N ATOM 0 H ASN A 41 15.095 6.291 6.594 1.00 0.00 H new ATOM 0 HA ASN A 41 13.339 6.946 4.506 1.00 0.00 H new ATOM 0 HB2 ASN A 41 16.073 5.579 4.459 1.00 0.00 H new ATOM 0 HB3 ASN A 41 15.274 6.207 3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.530 8.654 5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 41 17.489 6.894 5.440 1.00 0.00 H new ATOM 575 N THR A 42 13.896 3.704 4.883 1.00 0.00 N ATOM 576 CA THR A 42 13.393 2.341 4.630 1.00 0.00 C ATOM 577 C THR A 42 11.948 2.146 5.098 1.00 0.00 C ATOM 578 O THR A 42 11.610 2.188 6.277 1.00 0.00 O ATOM 579 CB THR A 42 14.324 1.259 5.192 1.00 0.00 C ATOM 580 OG1 THR A 42 14.957 1.682 6.400 1.00 0.00 O ATOM 581 CG2 THR A 42 15.361 0.854 4.145 1.00 0.00 C ATOM 0 H THR A 42 14.648 3.733 5.571 1.00 0.00 H new ATOM 0 HA THR A 42 13.387 2.223 3.546 1.00 0.00 H new ATOM 0 HB THR A 42 13.715 0.388 5.435 1.00 0.00 H new ATOM 0 HG1 THR A 42 14.347 2.259 6.904 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.014 0.086 4.558 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.854 0.463 3.263 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.955 1.724 3.866 1.00 0.00 H new ATOM 589 N THR A 43 11.115 2.151 4.074 1.00 0.00 N ATOM 590 CA THR A 43 9.647 2.023 4.157 1.00 0.00 C ATOM 591 C THR A 43 9.184 0.700 3.533 1.00 0.00 C ATOM 592 O THR A 43 9.331 0.450 2.332 1.00 0.00 O ATOM 593 CB THR A 43 8.915 3.241 3.573 1.00 0.00 C ATOM 594 OG1 THR A 43 7.523 2.966 3.471 1.00 0.00 O ATOM 595 CG2 THR A 43 9.457 3.776 2.240 1.00 0.00 C ATOM 0 H THR A 43 11.444 2.248 3.113 1.00 0.00 H new ATOM 0 HA THR A 43 9.376 2.001 5.213 1.00 0.00 H new ATOM 0 HB THR A 43 9.104 4.048 4.281 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.057 3.760 3.135 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.864 4.634 1.924 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.496 4.079 2.365 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.396 2.995 1.482 1.00 0.00 H new ATOM 603 N ILE A 44 8.709 -0.146 4.441 1.00 0.00 N ATOM 604 CA ILE A 44 8.192 -1.483 4.084 1.00 0.00 C ATOM 605 C ILE A 44 6.663 -1.503 4.165 1.00 0.00 C ATOM 606 O ILE A 44 6.024 -1.535 5.225 1.00 0.00 O ATOM 607 CB ILE A 44 8.940 -2.625 4.822 1.00 0.00 C ATOM 608 CG1 ILE A 44 8.382 -3.996 4.415 1.00 0.00 C ATOM 609 CG2 ILE A 44 8.991 -2.421 6.338 1.00 0.00 C ATOM 610 CD1 ILE A 44 9.358 -5.151 4.646 1.00 0.00 C ATOM 0 H ILE A 44 8.667 0.063 5.438 1.00 0.00 H new ATOM 0 HA ILE A 44 8.418 -1.695 3.039 1.00 0.00 H new ATOM 0 HB ILE A 44 9.981 -2.594 4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.467 -4.187 4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.109 -3.968 3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.526 -3.251 6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.507 -1.487 6.562 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.976 -2.379 6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.894 -6.087 4.335 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.264 -4.984 4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.613 -5.206 5.704 1.00 0.00 H new ATOM 622 N ILE A 45 6.122 -1.203 2.994 1.00 0.00 N ATOM 623 CA ILE A 45 4.668 -1.174 2.714 1.00 0.00 C ATOM 624 C ILE A 45 4.180 -2.635 2.615 1.00 0.00 C ATOM 625 O ILE A 45 4.294 -3.272 1.576 1.00 0.00 O ATOM 626 CB ILE A 45 4.390 -0.344 1.439 1.00 0.00 C ATOM 627 CG1 ILE A 45 5.015 1.056 1.543 1.00 0.00 C ATOM 628 CG2 ILE A 45 2.885 -0.227 1.194 1.00 0.00 C ATOM 629 CD1 ILE A 45 5.161 1.816 0.222 1.00 0.00 C ATOM 0 H ILE A 45 6.687 -0.964 2.179 1.00 0.00 H new ATOM 0 HA ILE A 45 4.113 -0.683 3.513 1.00 0.00 H new ATOM 0 HB ILE A 45 4.848 -0.863 0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.408 1.656 2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.001 0.961 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.708 0.360 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.458 -1.222 1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.415 0.265 2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.612 2.790 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.796 1.247 -0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.178 1.953 -0.230 1.00 0.00 H new ATOM 641 N ARG A 46 3.757 -3.141 3.770 1.00 0.00 N ATOM 642 CA ARG A 46 3.314 -4.536 3.976 1.00 0.00 C ATOM 643 C ARG A 46 2.406 -5.125 2.867 1.00 0.00 C ATOM 644 O ARG A 46 2.915 -5.778 1.964 1.00 0.00 O ATOM 645 CB ARG A 46 2.747 -4.734 5.403 1.00 0.00 C ATOM 646 CG ARG A 46 1.677 -3.709 5.822 1.00 0.00 C ATOM 647 CD ARG A 46 1.078 -4.010 7.195 1.00 0.00 C ATOM 648 NE ARG A 46 0.309 -5.269 7.157 1.00 0.00 N ATOM 649 CZ ARG A 46 0.396 -6.301 7.992 1.00 0.00 C ATOM 650 NH1 ARG A 46 1.160 -6.272 9.085 1.00 0.00 N ATOM 651 NH2 ARG A 46 -0.343 -7.371 7.766 1.00 0.00 N ATOM 0 H ARG A 46 3.708 -2.582 4.622 1.00 0.00 H new ATOM 0 HA ARG A 46 4.217 -5.139 3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.319 -5.734 5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.571 -4.690 6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.119 -2.713 5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.881 -3.696 5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.873 -4.084 7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.430 -3.190 7.504 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.370 -5.359 6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.704 -5.438 9.305 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.200 -7.084 9.701 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.969 -7.398 6.961 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.288 -8.171 8.396 1.00 0.00 H new ATOM 665 N ASN A 47 1.095 -4.881 2.923 1.00 0.00 N ATOM 666 CA ASN A 47 0.179 -5.244 1.820 1.00 0.00 C ATOM 667 C ASN A 47 0.199 -4.187 0.698 1.00 0.00 C ATOM 668 O ASN A 47 -0.813 -3.596 0.310 1.00 0.00 O ATOM 669 CB ASN A 47 -1.228 -5.512 2.379 1.00 0.00 C ATOM 670 CG ASN A 47 -1.309 -6.809 3.196 1.00 0.00 C ATOM 671 OD1 ASN A 47 -0.481 -7.136 4.036 1.00 0.00 O ATOM 672 ND2 ASN A 47 -2.394 -7.532 3.052 1.00 0.00 N ATOM 0 H ASN A 47 0.636 -4.434 3.717 1.00 0.00 H new ATOM 0 HA ASN A 47 0.524 -6.167 1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.530 -4.674 3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.938 -5.564 1.553 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.539 -8.355 3.636 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -3.092 -7.271 2.356 1.00 0.00 H new ATOM 679 N PHE A 48 1.383 -4.107 0.091 1.00 0.00 N ATOM 680 CA PHE A 48 1.745 -3.112 -0.954 1.00 0.00 C ATOM 681 C PHE A 48 0.777 -3.007 -2.146 1.00 0.00 C ATOM 682 O PHE A 48 0.327 -1.899 -2.442 1.00 0.00 O ATOM 683 CB PHE A 48 3.179 -3.313 -1.451 1.00 0.00 C ATOM 684 CG PHE A 48 3.509 -4.739 -1.903 1.00 0.00 C ATOM 685 CD1 PHE A 48 3.976 -5.673 -0.959 1.00 0.00 C ATOM 686 CD2 PHE A 48 3.198 -5.157 -3.207 1.00 0.00 C ATOM 687 CE1 PHE A 48 4.087 -7.025 -1.301 1.00 0.00 C ATOM 688 CE2 PHE A 48 3.316 -6.515 -3.551 1.00 0.00 C ATOM 689 CZ PHE A 48 3.753 -7.443 -2.596 1.00 0.00 C ATOM 0 H PHE A 48 2.148 -4.745 0.309 1.00 0.00 H new ATOM 0 HA PHE A 48 1.661 -2.157 -0.436 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.359 -2.632 -2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.867 -3.031 -0.654 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.250 -5.345 0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.869 -4.438 -3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.429 -7.743 -0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.070 -6.843 -4.550 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.833 -8.487 -2.860 1.00 0.00 H new ATOM 699 N ALA A 49 0.327 -4.153 -2.661 1.00 0.00 N ATOM 700 CA ALA A 49 -0.623 -4.206 -3.793 1.00 0.00 C ATOM 701 C ALA A 49 -1.918 -3.407 -3.541 1.00 0.00 C ATOM 702 O ALA A 49 -2.228 -2.484 -4.294 1.00 0.00 O ATOM 703 CB ALA A 49 -0.950 -5.669 -4.107 1.00 0.00 C ATOM 0 H ALA A 49 0.604 -5.071 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.139 -3.733 -4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.650 -5.714 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.034 -6.198 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.398 -6.138 -3.231 1.00 0.00 H new ATOM 709 N GLU A 50 -2.473 -3.594 -2.340 1.00 0.00 N ATOM 710 CA GLU A 50 -3.674 -2.859 -1.890 1.00 0.00 C ATOM 711 C GLU A 50 -3.402 -1.359 -1.748 1.00 0.00 C ATOM 712 O GLU A 50 -4.070 -0.531 -2.383 1.00 0.00 O ATOM 713 CB GLU A 50 -4.254 -3.414 -0.586 1.00 0.00 C ATOM 714 CG GLU A 50 -4.766 -4.855 -0.723 1.00 0.00 C ATOM 715 CD GLU A 50 -3.763 -5.853 -0.135 1.00 0.00 C ATOM 716 OE1 GLU A 50 -2.701 -6.062 -0.767 1.00 0.00 O ATOM 717 OE2 GLU A 50 -4.081 -6.398 0.952 1.00 0.00 O ATOM 0 H GLU A 50 -2.110 -4.253 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.420 -3.006 -2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.489 -3.378 0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.072 -2.773 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.724 -4.954 -0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.939 -5.085 -1.774 1.00 0.00 H new ATOM 724 N TYR A 51 -2.317 -1.030 -1.044 1.00 0.00 N ATOM 725 CA TYR A 51 -1.837 0.355 -0.874 1.00 0.00 C ATOM 726 C TYR A 51 -1.527 1.090 -2.188 1.00 0.00 C ATOM 727 O TYR A 51 -1.854 2.272 -2.317 1.00 0.00 O ATOM 728 CB TYR A 51 -0.637 0.387 0.079 1.00 0.00 C ATOM 729 CG TYR A 51 -1.025 0.613 1.551 1.00 0.00 C ATOM 730 CD1 TYR A 51 -1.721 1.776 1.926 1.00 0.00 C ATOM 731 CD2 TYR A 51 -0.362 -0.128 2.531 1.00 0.00 C ATOM 732 CE1 TYR A 51 -1.687 2.226 3.259 1.00 0.00 C ATOM 733 CE2 TYR A 51 -0.328 0.321 3.864 1.00 0.00 C ATOM 734 CZ TYR A 51 -0.965 1.519 4.220 1.00 0.00 C ATOM 735 OH TYR A 51 -0.587 2.124 5.375 1.00 0.00 O ATOM 0 H TYR A 51 -1.736 -1.721 -0.568 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.667 0.909 -0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.092 -0.554 -0.004 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.044 1.178 -0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.284 2.327 1.187 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.128 -1.053 2.264 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.222 3.122 3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.190 -0.258 4.615 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.128 2.929 5.515 1.00 0.00 H new ATOM 745 N CYS A 52 -1.021 0.376 -3.198 1.00 0.00 N ATOM 746 CA CYS A 52 -0.804 0.902 -4.556 1.00 0.00 C ATOM 747 C CYS A 52 -2.091 1.466 -5.208 1.00 0.00 C ATOM 748 O CYS A 52 -2.039 2.471 -5.911 1.00 0.00 O ATOM 749 CB CYS A 52 -0.217 -0.178 -5.459 1.00 0.00 C ATOM 750 SG CYS A 52 1.501 -0.658 -5.029 1.00 0.00 S ATOM 0 H CYS A 52 -0.745 -0.601 -3.097 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.103 1.730 -4.449 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.853 -1.062 -5.412 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.238 0.174 -6.490 1.00 0.00 H new ATOM 0 HG CYS A 52 1.514 -1.222 -3.858 1.00 0.00 H new ATOM 756 N ASP A 53 -3.213 0.790 -4.976 1.00 0.00 N ATOM 757 CA ASP A 53 -4.544 1.337 -5.327 1.00 0.00 C ATOM 758 C ASP A 53 -5.021 2.430 -4.354 1.00 0.00 C ATOM 759 O ASP A 53 -5.427 3.500 -4.785 1.00 0.00 O ATOM 760 CB ASP A 53 -5.602 0.235 -5.425 1.00 0.00 C ATOM 761 CG ASP A 53 -5.469 -0.722 -6.619 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.325 -1.020 -7.024 1.00 0.00 O ATOM 763 OD2 ASP A 53 -6.548 -1.137 -7.105 1.00 0.00 O ATOM 0 H ASP A 53 -3.240 -0.136 -4.548 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.419 1.798 -6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.571 -0.353 -4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.584 0.705 -5.469 1.00 0.00 H new ATOM 768 N ARG A 54 -4.829 2.162 -3.056 1.00 0.00 N ATOM 769 CA ARG A 54 -5.166 3.063 -1.923 1.00 0.00 C ATOM 770 C ARG A 54 -4.546 4.472 -1.932 1.00 0.00 C ATOM 771 O ARG A 54 -4.932 5.311 -1.124 1.00 0.00 O ATOM 772 CB ARG A 54 -4.833 2.342 -0.610 1.00 0.00 C ATOM 773 CG ARG A 54 -6.032 1.522 -0.122 1.00 0.00 C ATOM 774 CD ARG A 54 -5.669 0.107 0.341 1.00 0.00 C ATOM 775 NE ARG A 54 -4.632 0.068 1.394 1.00 0.00 N ATOM 776 CZ ARG A 54 -4.377 -0.968 2.201 1.00 0.00 C ATOM 777 NH1 ARG A 54 -5.235 -1.954 2.411 1.00 0.00 N ATOM 778 NH2 ARG A 54 -3.334 -0.928 3.009 1.00 0.00 N ATOM 0 H ARG A 54 -4.420 1.281 -2.744 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.231 3.265 -2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.974 1.687 -0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.552 3.071 0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.511 2.052 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.765 1.454 -0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.568 -0.385 0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.322 -0.468 -0.518 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.061 0.904 1.516 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.143 -1.948 1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.988 -2.720 3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.726 -0.109 3.017 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.136 -1.716 3.626 1.00 0.00 H new ATOM 792 N ILE A 55 -3.409 4.608 -2.617 1.00 0.00 N ATOM 793 CA ILE A 55 -2.921 5.939 -3.055 1.00 0.00 C ATOM 794 C ILE A 55 -3.832 6.454 -4.192 1.00 0.00 C ATOM 795 O ILE A 55 -4.949 6.872 -3.899 1.00 0.00 O ATOM 796 CB ILE A 55 -1.389 5.928 -3.295 1.00 0.00 C ATOM 797 CG1 ILE A 55 -0.820 7.306 -3.670 1.00 0.00 C ATOM 798 CG2 ILE A 55 -0.905 4.868 -4.282 1.00 0.00 C ATOM 799 CD1 ILE A 55 -0.794 8.270 -2.486 1.00 0.00 C ATOM 0 H ILE A 55 -2.807 3.829 -2.883 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.013 6.691 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.990 5.650 -2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.191 7.185 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.419 7.737 -4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.178 4.936 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.173 3.878 -3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.374 5.033 -5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.383 9.228 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.808 8.416 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.172 7.855 -1.693 1.00 0.00 H new ATOM 811 N ARG A 56 -3.430 6.383 -5.463 1.00 0.00 N ATOM 812 CA ARG A 56 -4.332 6.732 -6.581 1.00 0.00 C ATOM 813 C ARG A 56 -4.303 5.702 -7.727 1.00 0.00 C ATOM 814 O ARG A 56 -3.734 5.918 -8.792 1.00 0.00 O ATOM 815 CB ARG A 56 -4.072 8.168 -7.091 1.00 0.00 C ATOM 816 CG ARG A 56 -4.186 9.249 -6.008 1.00 0.00 C ATOM 817 CD ARG A 56 -2.797 9.792 -5.662 1.00 0.00 C ATOM 818 NE ARG A 56 -2.829 10.614 -4.442 1.00 0.00 N ATOM 819 CZ ARG A 56 -1.799 11.297 -3.931 1.00 0.00 C ATOM 820 NH1 ARG A 56 -0.604 11.305 -4.497 1.00 0.00 N ATOM 821 NH2 ARG A 56 -1.942 11.958 -2.798 1.00 0.00 N ATOM 0 H ARG A 56 -2.496 6.091 -5.750 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.344 6.701 -6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.075 8.211 -7.529 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.780 8.392 -7.889 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.826 10.059 -6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.656 8.834 -5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.104 8.962 -5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.420 10.387 -6.494 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.716 10.668 -3.941 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.442 10.777 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.156 11.839 -4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.838 11.948 -2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.156 12.479 -2.409 1.00 0.00 H new ATOM 835 N ARG A 57 -4.826 4.517 -7.418 1.00 0.00 N ATOM 836 CA ARG A 57 -5.017 3.387 -8.371 1.00 0.00 C ATOM 837 C ARG A 57 -3.794 2.956 -9.222 1.00 0.00 C ATOM 838 O ARG A 57 -3.940 2.368 -10.301 1.00 0.00 O ATOM 839 CB ARG A 57 -6.270 3.635 -9.221 1.00 0.00 C ATOM 840 CG ARG A 57 -7.545 3.163 -8.498 1.00 0.00 C ATOM 841 CD ARG A 57 -7.828 1.689 -8.813 1.00 0.00 C ATOM 842 NE ARG A 57 -8.908 1.119 -7.982 1.00 0.00 N ATOM 843 CZ ARG A 57 -10.190 1.503 -7.919 1.00 0.00 C ATOM 844 NH1 ARG A 57 -10.749 2.287 -8.836 1.00 0.00 N ATOM 845 NH2 ARG A 57 -11.004 0.888 -7.081 1.00 0.00 N ATOM 0 H ARG A 57 -5.143 4.294 -6.474 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.154 2.510 -7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.352 4.698 -9.449 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.175 3.112 -10.172 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.430 3.295 -7.422 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.392 3.776 -8.806 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.097 1.593 -9.865 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.917 1.110 -8.663 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.645 0.337 -7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.198 2.620 -9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.729 2.555 -8.749 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.654 0.132 -6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.983 1.169 -7.022 1.00 0.00 H new ATOM 859 N GLU A 58 -2.604 3.159 -8.661 1.00 0.00 N ATOM 860 CA GLU A 58 -1.270 2.758 -9.162 1.00 0.00 C ATOM 861 C GLU A 58 -0.792 3.337 -10.513 1.00 0.00 C ATOM 862 O GLU A 58 0.361 3.776 -10.614 1.00 0.00 O ATOM 863 CB GLU A 58 -1.118 1.229 -9.124 1.00 0.00 C ATOM 864 CG GLU A 58 0.337 0.771 -9.279 1.00 0.00 C ATOM 865 CD GLU A 58 0.460 -0.754 -9.337 1.00 0.00 C ATOM 866 OE1 GLU A 58 0.288 -1.293 -10.449 1.00 0.00 O ATOM 867 OE2 GLU A 58 0.776 -1.340 -8.274 1.00 0.00 O ATOM 0 H GLU A 58 -2.530 3.648 -7.769 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.591 3.239 -8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.514 0.853 -8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.719 0.789 -9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.757 1.203 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.926 1.150 -8.444 1.00 0.00 H new ATOM 874 N ASP A 59 -1.660 3.307 -11.527 1.00 0.00 N ATOM 875 CA ASP A 59 -1.355 3.693 -12.922 1.00 0.00 C ATOM 876 C ASP A 59 -0.807 5.128 -13.019 1.00 0.00 C ATOM 877 O ASP A 59 -1.551 6.103 -12.952 1.00 0.00 O ATOM 878 CB ASP A 59 -2.604 3.493 -13.795 1.00 0.00 C ATOM 879 CG ASP A 59 -2.373 3.771 -15.289 1.00 0.00 C ATOM 880 OD1 ASP A 59 -1.224 3.567 -15.742 1.00 0.00 O ATOM 881 OD2 ASP A 59 -3.360 4.167 -15.944 1.00 0.00 O ATOM 0 H ASP A 59 -2.627 3.005 -11.404 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.562 3.045 -13.295 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.957 2.469 -13.677 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.397 4.147 -13.432 1.00 0.00 H new ATOM 886 N LYS A 60 0.514 5.192 -13.206 1.00 0.00 N ATOM 887 CA LYS A 60 1.357 6.417 -13.180 1.00 0.00 C ATOM 888 C LYS A 60 1.391 7.107 -11.807 1.00 0.00 C ATOM 889 O LYS A 60 2.436 7.130 -11.151 1.00 0.00 O ATOM 890 CB LYS A 60 0.982 7.421 -14.280 1.00 0.00 C ATOM 891 CG LYS A 60 1.339 6.933 -15.679 1.00 0.00 C ATOM 892 CD LYS A 60 0.893 7.946 -16.737 1.00 0.00 C ATOM 893 CE LYS A 60 1.314 7.551 -18.154 1.00 0.00 C ATOM 894 NZ LYS A 60 2.777 7.647 -18.338 1.00 0.00 N ATOM 0 H LYS A 60 1.065 4.353 -13.390 1.00 0.00 H new ATOM 0 HA LYS A 60 2.366 6.060 -13.384 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.089 7.620 -14.233 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.491 8.366 -14.090 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.415 6.775 -15.751 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.862 5.971 -15.866 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.192 8.048 -16.701 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.313 8.923 -16.497 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.988 6.531 -18.359 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.814 8.197 -18.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.014 7.471 -19.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.099 8.598 -18.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.249 6.939 -17.740 1.00 0.00 H new ATOM 908 N ILE A 61 0.218 7.510 -11.331 1.00 0.00 N ATOM 909 CA ILE A 61 0.016 8.257 -10.061 1.00 0.00 C ATOM 910 C ILE A 61 0.049 7.350 -8.805 1.00 0.00 C ATOM 911 O ILE A 61 -0.929 7.036 -8.136 1.00 0.00 O ATOM 912 CB ILE A 61 -1.185 9.203 -10.224 1.00 0.00 C ATOM 913 CG1 ILE A 61 -1.246 10.195 -9.046 1.00 0.00 C ATOM 914 CG2 ILE A 61 -2.510 8.471 -10.487 1.00 0.00 C ATOM 915 CD1 ILE A 61 -2.027 11.474 -9.365 1.00 0.00 C ATOM 0 H ILE A 61 -0.657 7.328 -11.823 1.00 0.00 H new ATOM 0 HA ILE A 61 0.870 8.903 -9.857 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.028 9.785 -11.132 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.706 9.702 -8.189 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.231 10.462 -8.753 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.314 9.200 -10.592 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.428 7.888 -11.404 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.730 7.806 -9.652 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.029 12.126 -8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.555 11.989 -10.202 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.053 11.218 -9.629 1.00 0.00 H new ATOM 927 N CYS A 62 1.279 6.905 -8.606 1.00 0.00 N ATOM 928 CA CYS A 62 1.811 6.073 -7.499 1.00 0.00 C ATOM 929 C CYS A 62 3.337 5.996 -7.685 1.00 0.00 C ATOM 930 O CYS A 62 4.069 6.709 -7.006 1.00 0.00 O ATOM 931 CB CYS A 62 1.184 4.675 -7.496 1.00 0.00 C ATOM 932 SG CYS A 62 1.822 3.534 -6.220 1.00 0.00 S ATOM 0 H CYS A 62 2.016 7.131 -9.274 1.00 0.00 H new ATOM 0 HA CYS A 62 1.562 6.520 -6.536 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.107 4.778 -7.361 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.341 4.223 -8.475 1.00 0.00 H new ATOM 0 HG CYS A 62 1.214 2.389 -6.319 1.00 0.00 H new ATOM 938 N MET A 63 3.732 5.365 -8.789 1.00 0.00 N ATOM 939 CA MET A 63 5.146 5.244 -9.217 1.00 0.00 C ATOM 940 C MET A 63 5.846 6.609 -9.360 1.00 0.00 C ATOM 941 O MET A 63 6.846 6.862 -8.699 1.00 0.00 O ATOM 942 CB MET A 63 5.184 4.450 -10.525 1.00 0.00 C ATOM 943 CG MET A 63 6.604 4.036 -10.929 1.00 0.00 C ATOM 944 SD MET A 63 6.686 3.083 -12.491 1.00 0.00 S ATOM 945 CE MET A 63 5.986 1.523 -11.973 1.00 0.00 C ATOM 0 H MET A 63 3.078 4.913 -9.428 1.00 0.00 H new ATOM 0 HA MET A 63 5.704 4.717 -8.443 1.00 0.00 H new ATOM 0 HB2 MET A 63 4.566 3.558 -10.421 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.745 5.050 -11.322 1.00 0.00 H new ATOM 0 HG2 MET A 63 7.218 4.931 -11.029 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.039 3.439 -10.128 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.081 0.796 -12.779 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.517 1.160 -11.093 1.00 0.00 H new ATOM 0 HE3 MET A 63 4.932 1.660 -11.731 1.00 0.00 H new ATOM 955 N LYS A 64 5.194 7.528 -10.078 1.00 0.00 N ATOM 956 CA LYS A 64 5.682 8.915 -10.247 1.00 0.00 C ATOM 957 C LYS A 64 5.849 9.640 -8.906 1.00 0.00 C ATOM 958 O LYS A 64 6.957 10.050 -8.560 1.00 0.00 O ATOM 959 CB LYS A 64 4.743 9.708 -11.161 1.00 0.00 C ATOM 960 CG LYS A 64 4.749 9.187 -12.603 1.00 0.00 C ATOM 961 CD LYS A 64 3.854 10.014 -13.538 1.00 0.00 C ATOM 962 CE LYS A 64 4.435 11.392 -13.841 1.00 0.00 C ATOM 963 NZ LYS A 64 3.561 12.152 -14.755 1.00 0.00 N ATOM 0 H LYS A 64 4.315 7.340 -10.560 1.00 0.00 H new ATOM 0 HA LYS A 64 6.667 8.852 -10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.729 9.659 -10.765 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.037 10.758 -11.156 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.770 9.196 -12.983 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.415 8.150 -12.611 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.711 9.471 -14.472 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.870 10.131 -13.084 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.564 11.947 -12.912 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.424 11.282 -14.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.982 13.084 -14.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.459 11.632 -15.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.626 12.276 -14.318 1.00 0.00 H new ATOM 977 N TYR A 65 4.816 9.537 -8.059 1.00 0.00 N ATOM 978 CA TYR A 65 4.780 10.193 -6.739 1.00 0.00 C ATOM 979 C TYR A 65 5.854 9.655 -5.771 1.00 0.00 C ATOM 980 O TYR A 65 6.522 10.447 -5.112 1.00 0.00 O ATOM 981 CB TYR A 65 3.390 10.022 -6.120 1.00 0.00 C ATOM 982 CG TYR A 65 2.955 11.280 -5.360 1.00 0.00 C ATOM 983 CD1 TYR A 65 3.430 11.544 -4.069 1.00 0.00 C ATOM 984 CD2 TYR A 65 2.067 12.185 -5.977 1.00 0.00 C ATOM 985 CE1 TYR A 65 3.003 12.691 -3.387 1.00 0.00 C ATOM 986 CE2 TYR A 65 1.652 13.327 -5.284 1.00 0.00 C ATOM 987 CZ TYR A 65 2.106 13.575 -3.982 1.00 0.00 C ATOM 988 OH TYR A 65 1.593 14.617 -3.280 1.00 0.00 O ATOM 0 H TYR A 65 3.977 8.995 -8.268 1.00 0.00 H new ATOM 0 HA TYR A 65 4.998 11.249 -6.898 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.666 9.801 -6.904 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.395 9.169 -5.441 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.125 10.864 -3.599 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.709 11.998 -6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.372 12.891 -2.392 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.976 14.024 -5.757 1.00 0.00 H new ATOM 0 HH TYR A 65 0.986 15.130 -3.853 1.00 0.00 H new ATOM 998 N LEU A 66 6.047 8.333 -5.767 1.00 0.00 N ATOM 999 CA LEU A 66 7.127 7.707 -4.968 1.00 0.00 C ATOM 1000 C LEU A 66 8.527 8.161 -5.380 1.00 0.00 C ATOM 1001 O LEU A 66 9.185 8.807 -4.575 1.00 0.00 O ATOM 1002 CB LEU A 66 6.976 6.190 -4.775 1.00 0.00 C ATOM 1003 CG LEU A 66 6.921 5.295 -6.015 1.00 0.00 C ATOM 1004 CD1 LEU A 66 8.307 4.859 -6.472 1.00 0.00 C ATOM 1005 CD2 LEU A 66 6.044 4.078 -5.724 1.00 0.00 C ATOM 0 H LEU A 66 5.480 7.673 -6.300 1.00 0.00 H new ATOM 0 HA LEU A 66 6.996 8.102 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.808 5.850 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.065 6.018 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 66 6.488 5.874 -6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.217 4.226 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.903 5.738 -6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.795 4.300 -5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.004 3.439 -6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.465 3.518 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.037 4.408 -5.469 1.00 0.00 H new ATOM 1017 N LEU A 67 8.776 8.181 -6.698 1.00 0.00 N ATOM 1018 CA LEU A 67 10.035 8.676 -7.280 1.00 0.00 C ATOM 1019 C LEU A 67 10.274 10.153 -6.910 1.00 0.00 C ATOM 1020 O LEU A 67 11.316 10.487 -6.349 1.00 0.00 O ATOM 1021 CB LEU A 67 9.972 8.454 -8.797 1.00 0.00 C ATOM 1022 CG LEU A 67 11.307 8.339 -9.560 1.00 0.00 C ATOM 1023 CD1 LEU A 67 12.093 9.655 -9.603 1.00 0.00 C ATOM 1024 CD2 LEU A 67 12.166 7.189 -9.025 1.00 0.00 C ATOM 0 H LEU A 67 8.107 7.853 -7.394 1.00 0.00 H new ATOM 0 HA LEU A 67 10.885 8.128 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.402 7.543 -8.979 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.406 9.277 -9.233 1.00 0.00 H new ATOM 0 HG LEU A 67 11.044 8.109 -10.593 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.022 9.506 -10.154 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.495 10.420 -10.099 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.321 9.976 -8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.098 7.139 -9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.386 7.359 -7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.625 6.249 -9.135 1.00 0.00 H new ATOM 1036 N LYS A 68 9.223 10.961 -7.043 1.00 0.00 N ATOM 1037 CA LYS A 68 9.228 12.404 -6.678 1.00 0.00 C ATOM 1038 C LYS A 68 9.545 12.704 -5.198 1.00 0.00 C ATOM 1039 O LYS A 68 10.019 13.794 -4.878 1.00 0.00 O ATOM 1040 CB LYS A 68 7.909 13.062 -7.089 1.00 0.00 C ATOM 1041 CG LYS A 68 7.781 13.121 -8.621 1.00 0.00 C ATOM 1042 CD LYS A 68 6.502 13.814 -9.112 1.00 0.00 C ATOM 1043 CE LYS A 68 6.567 15.331 -8.929 1.00 0.00 C ATOM 1044 NZ LYS A 68 5.387 15.985 -9.501 1.00 0.00 N ATOM 0 H LYS A 68 8.326 10.642 -7.410 1.00 0.00 H new ATOM 0 HA LYS A 68 10.057 12.837 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.072 12.502 -6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.856 14.069 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.646 13.645 -9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.808 12.106 -9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.345 13.582 -10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.644 13.419 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.639 15.569 -7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.468 15.719 -9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.458 17.013 -9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.333 15.776 -10.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.531 15.631 -9.029 1.00 0.00 H new ATOM 1058 N GLU A 69 9.256 11.750 -4.307 1.00 0.00 N ATOM 1059 CA GLU A 69 9.622 11.844 -2.874 1.00 0.00 C ATOM 1060 C GLU A 69 10.681 10.804 -2.457 1.00 0.00 C ATOM 1061 O GLU A 69 10.849 10.486 -1.276 1.00 0.00 O ATOM 1062 CB GLU A 69 8.364 11.725 -2.007 1.00 0.00 C ATOM 1063 CG GLU A 69 7.412 12.915 -2.166 1.00 0.00 C ATOM 1064 CD GLU A 69 6.144 12.777 -1.323 1.00 0.00 C ATOM 1065 OE1 GLU A 69 5.444 11.748 -1.484 1.00 0.00 O ATOM 1066 OE2 GLU A 69 5.819 13.755 -0.612 1.00 0.00 O ATOM 0 H GLU A 69 8.764 10.890 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 69 10.079 12.821 -2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.836 10.807 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.657 11.639 -0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.932 13.831 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.136 13.016 -3.216 1.00 0.00 H new ATOM 1073 N LEU A 70 11.513 10.379 -3.415 1.00 0.00 N ATOM 1074 CA LEU A 70 12.562 9.371 -3.180 1.00 0.00 C ATOM 1075 C LEU A 70 13.981 9.927 -3.410 1.00 0.00 C ATOM 1076 O LEU A 70 14.555 9.846 -4.488 1.00 0.00 O ATOM 1077 CB LEU A 70 12.276 8.148 -4.049 1.00 0.00 C ATOM 1078 CG LEU A 70 11.868 6.894 -3.260 1.00 0.00 C ATOM 1079 CD1 LEU A 70 10.627 7.101 -2.382 1.00 0.00 C ATOM 1080 CD2 LEU A 70 11.600 5.770 -4.267 1.00 0.00 C ATOM 0 H LEU A 70 11.481 10.722 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 70 12.536 9.079 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.481 8.395 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.164 7.920 -4.638 1.00 0.00 H new ATOM 0 HG LEU A 70 12.684 6.647 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.396 6.176 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.821 7.893 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.781 7.382 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.308 4.866 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.797 6.069 -4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.504 5.575 -4.844 1.00 0.00 H new ATOM 1092 N ALA A 71 14.486 10.510 -2.334 1.00 0.00 N ATOM 1093 CA ALA A 71 15.893 10.954 -2.222 1.00 0.00 C ATOM 1094 C ALA A 71 16.915 9.807 -2.345 1.00 0.00 C ATOM 1095 O ALA A 71 18.086 10.020 -2.661 1.00 0.00 O ATOM 1096 CB ALA A 71 16.081 11.674 -0.882 1.00 0.00 C ATOM 0 H ALA A 71 13.935 10.697 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 71 16.086 11.624 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.115 12.006 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.418 12.538 -0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 71 15.844 10.991 -0.066 1.00 0.00 H new ATOM 1102 N ALA A 72 16.440 8.597 -2.067 1.00 0.00 N ATOM 1103 CA ALA A 72 17.229 7.354 -2.090 1.00 0.00 C ATOM 1104 C ALA A 72 16.583 6.303 -3.032 1.00 0.00 C ATOM 1105 O ALA A 72 15.396 6.444 -3.350 1.00 0.00 O ATOM 1106 CB ALA A 72 17.313 6.846 -0.646 1.00 0.00 C ATOM 0 H ALA A 72 15.465 8.442 -1.810 1.00 0.00 H new ATOM 0 HA ALA A 72 18.230 7.537 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 72 17.892 5.923 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 72 17.799 7.598 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.308 6.656 -0.268 1.00 0.00 H new ATOM 1112 N PRO A 73 17.353 5.338 -3.560 1.00 0.00 N ATOM 1113 CA PRO A 73 16.809 4.267 -4.418 1.00 0.00 C ATOM 1114 C PRO A 73 15.878 3.299 -3.679 1.00 0.00 C ATOM 1115 O PRO A 73 16.302 2.532 -2.817 1.00 0.00 O ATOM 1116 CB PRO A 73 18.046 3.572 -5.015 1.00 0.00 C ATOM 1117 CG PRO A 73 19.132 3.824 -3.968 1.00 0.00 C ATOM 1118 CD PRO A 73 18.815 5.226 -3.459 1.00 0.00 C ATOM 0 HA PRO A 73 16.161 4.677 -5.193 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.874 2.507 -5.168 1.00 0.00 H new ATOM 0 HB3 PRO A 73 18.316 3.993 -5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.095 3.087 -3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 73 20.130 3.771 -4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 73 19.152 5.360 -2.431 1.00 0.00 H new ATOM 0 HD3 PRO A 73 19.313 5.987 -4.060 1.00 0.00 H new ATOM 1126 N GLY A 74 14.591 3.584 -3.841 1.00 0.00 N ATOM 1127 CA GLY A 74 13.488 2.725 -3.364 1.00 0.00 C ATOM 1128 C GLY A 74 13.365 1.413 -4.160 1.00 0.00 C ATOM 1129 O GLY A 74 13.227 1.445 -5.381 1.00 0.00 O ATOM 0 H GLY A 74 14.269 4.429 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.645 2.492 -2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.550 3.275 -3.433 1.00 0.00 H new ATOM 1133 N ASN A 75 13.197 0.327 -3.426 1.00 0.00 N ATOM 1134 CA ASN A 75 13.194 -1.036 -4.013 1.00 0.00 C ATOM 1135 C ASN A 75 11.812 -1.693 -3.910 1.00 0.00 C ATOM 1136 O ASN A 75 11.126 -1.619 -2.886 1.00 0.00 O ATOM 1137 CB ASN A 75 14.236 -1.921 -3.329 1.00 0.00 C ATOM 1138 CG ASN A 75 15.591 -1.225 -3.166 1.00 0.00 C ATOM 1139 OD1 ASN A 75 16.419 -1.164 -4.066 1.00 0.00 O ATOM 1140 ND2 ASN A 75 15.791 -0.613 -2.018 1.00 0.00 N ATOM 0 H ASN A 75 13.059 0.345 -2.416 1.00 0.00 H new ATOM 0 HA ASN A 75 13.446 -0.933 -5.068 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.865 -2.219 -2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.369 -2.833 -3.910 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.646 -0.078 -1.868 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.091 -0.674 -1.279 1.00 0.00 H new ATOM 1147 N VAL A 76 11.456 -2.328 -5.009 1.00 0.00 N ATOM 1148 CA VAL A 76 10.184 -3.058 -5.194 1.00 0.00 C ATOM 1149 C VAL A 76 10.032 -4.246 -4.214 1.00 0.00 C ATOM 1150 O VAL A 76 10.933 -4.552 -3.434 1.00 0.00 O ATOM 1151 CB VAL A 76 10.101 -3.453 -6.688 1.00 0.00 C ATOM 1152 CG1 VAL A 76 11.023 -4.613 -7.090 1.00 0.00 C ATOM 1153 CG2 VAL A 76 8.654 -3.659 -7.156 1.00 0.00 C ATOM 0 H VAL A 76 12.053 -2.361 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 76 9.334 -2.423 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 76 10.493 -2.592 -7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.901 -4.823 -8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.059 -4.340 -6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.764 -5.500 -6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.648 -3.935 -8.211 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.192 -4.454 -6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.092 -2.735 -7.020 1.00 0.00 H new ATOM 1163 N ASP A 77 8.841 -4.849 -4.206 1.00 0.00 N ATOM 1164 CA ASP A 77 8.568 -6.113 -3.499 1.00 0.00 C ATOM 1165 C ASP A 77 9.411 -7.261 -4.093 1.00 0.00 C ATOM 1166 O ASP A 77 9.147 -7.765 -5.172 1.00 0.00 O ATOM 1167 CB ASP A 77 7.071 -6.448 -3.464 1.00 0.00 C ATOM 1168 CG ASP A 77 6.378 -6.525 -4.824 1.00 0.00 C ATOM 1169 OD1 ASP A 77 6.235 -5.442 -5.435 1.00 0.00 O ATOM 1170 OD2 ASP A 77 5.979 -7.642 -5.209 1.00 0.00 O ATOM 0 H ASP A 77 8.027 -4.474 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 77 8.869 -5.984 -2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.943 -7.404 -2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.563 -5.696 -2.860 1.00 0.00 H new ATOM 1175 N ASP A 78 10.548 -7.428 -3.433 1.00 0.00 N ATOM 1176 CA ASP A 78 11.632 -8.341 -3.829 1.00 0.00 C ATOM 1177 C ASP A 78 11.885 -9.426 -2.758 1.00 0.00 C ATOM 1178 O ASP A 78 11.016 -9.684 -1.923 1.00 0.00 O ATOM 1179 CB ASP A 78 12.859 -7.475 -4.180 1.00 0.00 C ATOM 1180 CG ASP A 78 13.354 -6.541 -3.070 1.00 0.00 C ATOM 1181 OD1 ASP A 78 13.513 -7.043 -1.929 1.00 0.00 O ATOM 1182 OD2 ASP A 78 13.727 -5.403 -3.415 1.00 0.00 O ATOM 0 H ASP A 78 10.757 -6.917 -2.575 1.00 0.00 H new ATOM 0 HA ASP A 78 11.364 -8.919 -4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.677 -8.136 -4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.617 -6.872 -5.055 1.00 0.00 H new ATOM 1187 N LYS A 79 13.090 -10.014 -2.742 1.00 0.00 N ATOM 1188 CA LYS A 79 13.499 -11.019 -1.732 1.00 0.00 C ATOM 1189 C LYS A 79 13.285 -10.558 -0.272 1.00 0.00 C ATOM 1190 O LYS A 79 12.681 -11.283 0.516 1.00 0.00 O ATOM 1191 CB LYS A 79 14.964 -11.396 -1.966 1.00 0.00 C ATOM 1192 CG LYS A 79 15.332 -12.711 -1.277 1.00 0.00 C ATOM 1193 CD LYS A 79 16.816 -13.089 -1.451 1.00 0.00 C ATOM 1194 CE LYS A 79 17.755 -12.442 -0.420 1.00 0.00 C ATOM 1195 NZ LYS A 79 17.903 -10.997 -0.575 1.00 0.00 N ATOM 0 H LYS A 79 13.816 -9.810 -3.429 1.00 0.00 H new ATOM 0 HA LYS A 79 12.853 -11.887 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.150 -11.483 -3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.608 -10.599 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.105 -12.633 -0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.710 -13.511 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.914 -14.173 -1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.138 -12.800 -2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.379 -12.653 0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.738 -12.908 -0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.813 -10.696 -0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.873 -10.751 -1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.128 -10.513 -0.078 1.00 0.00 H new ATOM 1209 N GLY A 80 13.560 -9.280 -0.005 1.00 0.00 N ATOM 1210 CA GLY A 80 13.341 -8.640 1.304 1.00 0.00 C ATOM 1211 C GLY A 80 12.045 -7.808 1.318 1.00 0.00 C ATOM 1212 O GLY A 80 12.007 -6.700 1.851 1.00 0.00 O ATOM 0 H GLY A 80 13.949 -8.645 -0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.292 -9.404 2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.189 -7.998 1.542 1.00 0.00 H new ATOM 1216 N GLU A 81 11.009 -8.356 0.674 1.00 0.00 N ATOM 1217 CA GLU A 81 9.679 -7.739 0.484 1.00 0.00 C ATOM 1218 C GLU A 81 9.754 -6.347 -0.171 1.00 0.00 C ATOM 1219 O GLU A 81 10.655 -6.093 -0.980 1.00 0.00 O ATOM 1220 CB GLU A 81 8.905 -7.740 1.815 1.00 0.00 C ATOM 1221 CG GLU A 81 8.550 -9.152 2.292 1.00 0.00 C ATOM 1222 CD GLU A 81 7.763 -9.097 3.608 1.00 0.00 C ATOM 1223 OE1 GLU A 81 6.527 -9.001 3.527 1.00 0.00 O ATOM 1224 OE2 GLU A 81 8.434 -9.142 4.668 1.00 0.00 O ATOM 0 H GLU A 81 11.071 -9.282 0.250 1.00 0.00 H new ATOM 0 HA GLU A 81 9.121 -8.348 -0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.503 -7.243 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.990 -7.159 1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.960 -9.661 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.461 -9.734 2.431 1.00 0.00 H new ATOM 1231 N LEU A 82 8.707 -5.544 -0.001 1.00 0.00 N ATOM 1232 CA LEU A 82 8.629 -4.149 -0.498 1.00 0.00 C ATOM 1233 C LEU A 82 9.518 -3.266 0.387 1.00 0.00 C ATOM 1234 O LEU A 82 9.130 -2.883 1.495 1.00 0.00 O ATOM 1235 CB LEU A 82 7.152 -3.732 -0.476 1.00 0.00 C ATOM 1236 CG LEU A 82 6.745 -2.424 -1.186 1.00 0.00 C ATOM 1237 CD1 LEU A 82 7.321 -1.167 -0.540 1.00 0.00 C ATOM 1238 CD2 LEU A 82 7.044 -2.464 -2.686 1.00 0.00 C ATOM 0 H LEU A 82 7.866 -5.839 0.494 1.00 0.00 H new ATOM 0 HA LEU A 82 8.993 -4.046 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.572 -4.543 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.846 -3.652 0.567 1.00 0.00 H new ATOM 0 HG LEU A 82 5.664 -2.359 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.991 -0.289 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.974 -1.096 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.410 -1.217 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.741 -1.522 -3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.113 -2.614 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.492 -3.284 -3.145 1.00 0.00 H new ATOM 1250 N VAL A 83 10.708 -2.946 -0.122 1.00 0.00 N ATOM 1251 CA VAL A 83 11.676 -2.124 0.631 1.00 0.00 C ATOM 1252 C VAL A 83 12.067 -0.826 -0.110 1.00 0.00 C ATOM 1253 O VAL A 83 13.169 -0.641 -0.617 1.00 0.00 O ATOM 1254 CB VAL A 83 12.835 -3.023 1.110 1.00 0.00 C ATOM 1255 CG1 VAL A 83 13.636 -3.688 -0.020 1.00 0.00 C ATOM 1256 CG2 VAL A 83 13.740 -2.309 2.118 1.00 0.00 C ATOM 0 H VAL A 83 11.030 -3.237 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 83 11.213 -1.726 1.534 1.00 0.00 H new ATOM 0 HB VAL A 83 12.350 -3.849 1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 83 14.430 -4.300 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.973 -4.317 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.074 -2.919 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.541 -2.980 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 83 14.169 -1.420 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 83 13.154 -2.018 2.990 1.00 0.00 H new ATOM 1266 N ILE A 84 11.139 0.128 -0.045 1.00 0.00 N ATOM 1267 CA ILE A 84 11.342 1.475 -0.640 1.00 0.00 C ATOM 1268 C ILE A 84 12.161 2.346 0.334 1.00 0.00 C ATOM 1269 O ILE A 84 12.105 2.165 1.545 1.00 0.00 O ATOM 1270 CB ILE A 84 9.995 2.044 -1.131 1.00 0.00 C ATOM 1271 CG1 ILE A 84 9.568 1.285 -2.397 1.00 0.00 C ATOM 1272 CG2 ILE A 84 10.044 3.564 -1.407 1.00 0.00 C ATOM 1273 CD1 ILE A 84 8.149 1.567 -2.919 1.00 0.00 C ATOM 0 H ILE A 84 10.235 0.006 0.411 1.00 0.00 H new ATOM 0 HA ILE A 84 11.949 1.440 -1.545 1.00 0.00 H new ATOM 0 HB ILE A 84 9.265 1.904 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.277 1.520 -3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.653 0.216 -2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.066 3.903 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 84 10.311 4.092 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.789 3.770 -2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.966 0.973 -3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 84 7.420 1.302 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.054 2.626 -3.160 1.00 0.00 H new ATOM 1285 N GLN A 85 13.015 3.175 -0.240 1.00 0.00 N ATOM 1286 CA GLN A 85 13.968 4.009 0.517 1.00 0.00 C ATOM 1287 C GLN A 85 13.783 5.487 0.138 1.00 0.00 C ATOM 1288 O GLN A 85 14.189 5.918 -0.935 1.00 0.00 O ATOM 1289 CB GLN A 85 15.359 3.472 0.188 1.00 0.00 C ATOM 1290 CG GLN A 85 16.412 3.759 1.252 1.00 0.00 C ATOM 1291 CD GLN A 85 17.721 3.062 0.886 1.00 0.00 C ATOM 1292 OE1 GLN A 85 17.945 1.901 1.168 1.00 0.00 O ATOM 1293 NE2 GLN A 85 18.615 3.762 0.215 1.00 0.00 N ATOM 0 H GLN A 85 13.077 3.299 -1.251 1.00 0.00 H new ATOM 0 HA GLN A 85 13.808 3.960 1.594 1.00 0.00 H new ATOM 0 HB2 GLN A 85 15.294 2.394 0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.688 3.904 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.573 4.834 1.337 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.064 3.411 2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 85 18.427 4.736 -0.022 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.494 3.329 -0.067 1.00 0.00 H new ATOM 1302 N GLY A 86 12.972 6.173 0.950 1.00 0.00 N ATOM 1303 CA GLY A 86 12.656 7.607 0.787 1.00 0.00 C ATOM 1304 C GLY A 86 11.507 8.069 1.713 1.00 0.00 C ATOM 1305 O GLY A 86 11.070 7.325 2.582 1.00 0.00 O ATOM 0 H GLY A 86 12.507 5.747 1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.547 8.198 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.382 7.800 -0.250 1.00 0.00 H new ATOM 1309 N LYS A 87 10.876 9.164 1.291 1.00 0.00 N ATOM 1310 CA LYS A 87 9.853 9.889 2.076 1.00 0.00 C ATOM 1311 C LYS A 87 8.423 9.312 1.963 1.00 0.00 C ATOM 1312 O LYS A 87 7.417 10.018 1.928 1.00 0.00 O ATOM 1313 CB LYS A 87 9.893 11.382 1.677 1.00 0.00 C ATOM 1314 CG LYS A 87 11.258 12.013 1.979 1.00 0.00 C ATOM 1315 CD LYS A 87 11.363 13.429 1.401 1.00 0.00 C ATOM 1316 CE LYS A 87 12.759 14.005 1.650 1.00 0.00 C ATOM 1317 NZ LYS A 87 12.884 15.365 1.100 1.00 0.00 N ATOM 0 H LYS A 87 11.057 9.587 0.381 1.00 0.00 H new ATOM 0 HA LYS A 87 10.106 9.764 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.674 11.481 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.115 11.923 2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.414 12.047 3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.049 11.389 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.157 13.408 0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.611 14.072 1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.961 14.024 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.508 13.357 1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.841 15.728 1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.715 15.342 0.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.185 15.988 1.552 1.00 0.00 H new ATOM 1331 N PHE A 88 8.384 7.981 1.990 1.00 0.00 N ATOM 1332 CA PHE A 88 7.165 7.162 1.853 1.00 0.00 C ATOM 1333 C PHE A 88 6.893 6.222 3.048 1.00 0.00 C ATOM 1334 O PHE A 88 6.192 5.224 2.930 1.00 0.00 O ATOM 1335 CB PHE A 88 7.303 6.364 0.544 1.00 0.00 C ATOM 1336 CG PHE A 88 6.559 6.996 -0.630 1.00 0.00 C ATOM 1337 CD1 PHE A 88 6.909 8.260 -1.138 1.00 0.00 C ATOM 1338 CD2 PHE A 88 5.436 6.334 -1.154 1.00 0.00 C ATOM 1339 CE1 PHE A 88 6.109 8.859 -2.128 1.00 0.00 C ATOM 1340 CE2 PHE A 88 4.657 6.928 -2.144 1.00 0.00 C ATOM 1341 CZ PHE A 88 4.980 8.206 -2.611 1.00 0.00 C ATOM 0 H PHE A 88 9.225 7.417 2.112 1.00 0.00 H new ATOM 0 HA PHE A 88 6.303 7.828 1.834 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.359 6.275 0.290 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.927 5.353 0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.788 8.768 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.174 5.353 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.373 9.832 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.805 6.403 -2.550 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.352 8.686 -3.347 1.00 0.00 H new ATOM 1351 N SER A 89 7.390 6.616 4.221 1.00 0.00 N ATOM 1352 CA SER A 89 7.338 5.798 5.448 1.00 0.00 C ATOM 1353 C SER A 89 6.239 6.220 6.427 1.00 0.00 C ATOM 1354 O SER A 89 6.312 7.248 7.092 1.00 0.00 O ATOM 1355 CB SER A 89 8.730 5.735 6.098 1.00 0.00 C ATOM 1356 OG SER A 89 9.392 7.010 6.085 1.00 0.00 O ATOM 0 H SER A 89 7.845 7.519 4.354 1.00 0.00 H new ATOM 0 HA SER A 89 7.053 4.788 5.153 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.634 5.388 7.127 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.343 5.004 5.571 1.00 0.00 H new ATOM 0 HG SER A 89 10.299 6.911 6.442 1.00 0.00 H new ATOM 1362 N SER A 90 5.174 5.419 6.404 1.00 0.00 N ATOM 1363 CA SER A 90 3.858 5.676 7.056 1.00 0.00 C ATOM 1364 C SER A 90 3.198 7.023 6.676 1.00 0.00 C ATOM 1365 O SER A 90 2.214 7.450 7.274 1.00 0.00 O ATOM 1366 CB SER A 90 3.919 5.533 8.576 1.00 0.00 C ATOM 1367 OG SER A 90 3.025 4.499 8.986 1.00 0.00 O ATOM 0 H SER A 90 5.190 4.526 5.911 1.00 0.00 H new ATOM 0 HA SER A 90 3.216 4.893 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.936 5.297 8.891 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.648 6.475 9.053 1.00 0.00 H new ATOM 0 HG SER A 90 3.267 3.661 8.539 1.00 0.00 H new ATOM 1373 N GLN A 91 3.578 7.468 5.490 1.00 0.00 N ATOM 1374 CA GLN A 91 3.220 8.782 4.919 1.00 0.00 C ATOM 1375 C GLN A 91 2.600 8.576 3.527 1.00 0.00 C ATOM 1376 O GLN A 91 2.586 7.457 3.015 1.00 0.00 O ATOM 1377 CB GLN A 91 4.509 9.601 4.831 1.00 0.00 C ATOM 1378 CG GLN A 91 4.360 11.069 5.262 1.00 0.00 C ATOM 1379 CD GLN A 91 3.479 11.897 4.329 1.00 0.00 C ATOM 1380 OE1 GLN A 91 2.273 12.038 4.514 1.00 0.00 O ATOM 1381 NE2 GLN A 91 4.054 12.396 3.260 1.00 0.00 N ATOM 0 H GLN A 91 4.165 6.915 4.866 1.00 0.00 H new ATOM 0 HA GLN A 91 2.490 9.305 5.536 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.269 9.128 5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.874 9.572 3.804 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.941 11.102 6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.349 11.525 5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.056 12.273 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.499 12.906 2.573 1.00 0.00 H new ATOM 1390 N VAL A 92 2.008 9.645 3.001 1.00 0.00 N ATOM 1391 CA VAL A 92 1.472 9.814 1.634 1.00 0.00 C ATOM 1392 C VAL A 92 0.419 8.773 1.208 1.00 0.00 C ATOM 1393 O VAL A 92 -0.765 9.063 1.310 1.00 0.00 O ATOM 1394 CB VAL A 92 2.575 10.171 0.607 1.00 0.00 C ATOM 1395 CG1 VAL A 92 3.684 9.116 0.458 1.00 0.00 C ATOM 1396 CG2 VAL A 92 2.002 10.560 -0.749 1.00 0.00 C ATOM 0 H VAL A 92 1.875 10.490 3.557 1.00 0.00 H new ATOM 0 HA VAL A 92 0.847 10.707 1.657 1.00 0.00 H new ATOM 0 HB VAL A 92 3.062 11.047 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.410 9.453 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.182 8.974 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.247 8.172 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.816 10.801 -1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.424 9.728 -1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.355 11.430 -0.635 1.00 0.00 H new ATOM 1406 N ILE A 93 0.844 7.558 0.837 1.00 0.00 N ATOM 1407 CA ILE A 93 -0.085 6.433 0.554 1.00 0.00 C ATOM 1408 C ILE A 93 -0.979 6.177 1.786 1.00 0.00 C ATOM 1409 O ILE A 93 -2.203 6.153 1.658 1.00 0.00 O ATOM 1410 CB ILE A 93 0.647 5.136 0.162 1.00 0.00 C ATOM 1411 CG1 ILE A 93 1.630 5.358 -0.997 1.00 0.00 C ATOM 1412 CG2 ILE A 93 -0.396 4.080 -0.236 1.00 0.00 C ATOM 1413 CD1 ILE A 93 2.532 4.147 -1.303 1.00 0.00 C ATOM 0 H ILE A 93 1.829 7.319 0.723 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.693 6.726 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 93 1.228 4.797 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.065 5.611 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.260 6.216 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.110 3.156 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.060 3.889 0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.979 4.445 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.195 4.388 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.127 3.905 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.913 3.290 -1.570 1.00 0.00 H new ATOM 1425 N ASN A 94 -0.354 6.140 2.962 1.00 0.00 N ATOM 1426 CA ASN A 94 -1.063 5.939 4.240 1.00 0.00 C ATOM 1427 C ASN A 94 -2.085 7.058 4.510 1.00 0.00 C ATOM 1428 O ASN A 94 -3.270 6.783 4.647 1.00 0.00 O ATOM 1429 CB ASN A 94 -0.022 5.854 5.372 1.00 0.00 C ATOM 1430 CG ASN A 94 -0.596 5.233 6.649 1.00 0.00 C ATOM 1431 OD1 ASN A 94 -1.437 4.351 6.629 1.00 0.00 O ATOM 1432 ND2 ASN A 94 -0.050 5.625 7.780 1.00 0.00 N ATOM 0 H ASN A 94 0.655 6.247 3.063 1.00 0.00 H new ATOM 0 HA ASN A 94 -1.630 5.009 4.189 1.00 0.00 H new ATOM 0 HB2 ASN A 94 0.829 5.263 5.035 1.00 0.00 H new ATOM 0 HB3 ASN A 94 0.352 6.854 5.594 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -0.329 5.189 8.659 1.00 0.00 H new ATOM 0 HD22 ASN A 94 0.652 6.365 7.778 1.00 0.00 H new ATOM 1439 N THR A 95 -1.628 8.299 4.343 1.00 0.00 N ATOM 1440 CA THR A 95 -2.445 9.532 4.462 1.00 0.00 C ATOM 1441 C THR A 95 -3.652 9.511 3.503 1.00 0.00 C ATOM 1442 O THR A 95 -4.784 9.708 3.944 1.00 0.00 O ATOM 1443 CB THR A 95 -1.570 10.761 4.179 1.00 0.00 C ATOM 1444 OG1 THR A 95 -0.248 10.570 4.707 1.00 0.00 O ATOM 1445 CG2 THR A 95 -2.180 12.030 4.769 1.00 0.00 C ATOM 0 H THR A 95 -0.653 8.492 4.114 1.00 0.00 H new ATOM 0 HA THR A 95 -2.833 9.582 5.480 1.00 0.00 H new ATOM 0 HB THR A 95 -1.513 10.879 3.097 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.321 11.323 4.444 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.534 12.880 4.550 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.164 12.199 4.331 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.278 11.918 5.849 1.00 0.00 H new ATOM 1453 N LEU A 96 -3.407 9.176 2.241 1.00 0.00 N ATOM 1454 CA LEU A 96 -4.456 9.054 1.207 1.00 0.00 C ATOM 1455 C LEU A 96 -5.450 7.937 1.542 1.00 0.00 C ATOM 1456 O LEU A 96 -6.637 8.212 1.670 1.00 0.00 O ATOM 1457 CB LEU A 96 -3.832 8.846 -0.176 1.00 0.00 C ATOM 1458 CG LEU A 96 -4.621 9.428 -1.374 1.00 0.00 C ATOM 1459 CD1 LEU A 96 -5.985 8.775 -1.583 1.00 0.00 C ATOM 1460 CD2 LEU A 96 -4.764 10.943 -1.232 1.00 0.00 C ATOM 0 H LEU A 96 -2.469 8.977 1.893 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.016 9.989 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.836 9.289 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.704 7.776 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.038 9.199 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.480 9.233 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.854 7.709 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.596 8.916 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.321 11.337 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.298 11.173 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.775 11.401 -1.203 1.00 0.00 H new ATOM 1472 N MET A 97 -4.936 6.750 1.858 1.00 0.00 N ATOM 1473 CA MET A 97 -5.743 5.601 2.328 1.00 0.00 C ATOM 1474 C MET A 97 -6.650 5.985 3.510 1.00 0.00 C ATOM 1475 O MET A 97 -7.833 5.653 3.506 1.00 0.00 O ATOM 1476 CB MET A 97 -4.764 4.468 2.678 1.00 0.00 C ATOM 1477 CG MET A 97 -5.380 3.186 3.246 1.00 0.00 C ATOM 1478 SD MET A 97 -6.036 3.315 4.954 1.00 0.00 S ATOM 1479 CE MET A 97 -4.571 3.772 5.856 1.00 0.00 C ATOM 0 H MET A 97 -3.938 6.546 1.798 1.00 0.00 H new ATOM 0 HA MET A 97 -6.426 5.268 1.546 1.00 0.00 H new ATOM 0 HB2 MET A 97 -4.206 4.209 1.778 1.00 0.00 H new ATOM 0 HB3 MET A 97 -4.044 4.850 3.401 1.00 0.00 H new ATOM 0 HG2 MET A 97 -6.189 2.870 2.588 1.00 0.00 H new ATOM 0 HG3 MET A 97 -4.625 2.400 3.224 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.770 3.714 6.926 1.00 0.00 H new ATOM 0 HE2 MET A 97 -3.759 3.091 5.600 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.286 4.791 5.595 1.00 0.00 H new ATOM 1489 N GLU A 98 -6.082 6.717 4.472 1.00 0.00 N ATOM 1490 CA GLU A 98 -6.820 7.265 5.634 1.00 0.00 C ATOM 1491 C GLU A 98 -8.007 8.138 5.205 1.00 0.00 C ATOM 1492 O GLU A 98 -9.156 7.763 5.451 1.00 0.00 O ATOM 1493 CB GLU A 98 -5.874 8.058 6.542 1.00 0.00 C ATOM 1494 CG GLU A 98 -4.940 7.139 7.333 1.00 0.00 C ATOM 1495 CD GLU A 98 -3.809 7.918 8.010 1.00 0.00 C ATOM 1496 OE1 GLU A 98 -4.027 8.371 9.159 1.00 0.00 O ATOM 1497 OE2 GLU A 98 -2.737 8.051 7.373 1.00 0.00 O ATOM 0 H GLU A 98 -5.090 6.953 4.475 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.224 6.419 6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.282 8.745 5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.458 8.665 7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.514 6.602 8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.515 6.391 6.664 1.00 0.00 H new ATOM 1504 N ARG A 99 -7.742 9.174 4.408 1.00 0.00 N ATOM 1505 CA ARG A 99 -8.811 10.067 3.901 1.00 0.00 C ATOM 1506 C ARG A 99 -9.810 9.396 2.942 1.00 0.00 C ATOM 1507 O ARG A 99 -10.977 9.781 2.915 1.00 0.00 O ATOM 1508 CB ARG A 99 -8.254 11.389 3.338 1.00 0.00 C ATOM 1509 CG ARG A 99 -7.400 11.299 2.068 1.00 0.00 C ATOM 1510 CD ARG A 99 -7.174 12.685 1.452 1.00 0.00 C ATOM 1511 NE ARG A 99 -8.407 13.218 0.836 1.00 0.00 N ATOM 1512 CZ ARG A 99 -9.407 13.866 1.436 1.00 0.00 C ATOM 1513 NH1 ARG A 99 -9.306 14.388 2.646 1.00 0.00 N ATOM 1514 NH2 ARG A 99 -10.475 14.180 0.721 1.00 0.00 N ATOM 0 H ARG A 99 -6.804 9.423 4.095 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.402 10.313 4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.095 12.052 3.134 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.656 11.863 4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.439 10.842 2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.891 10.651 1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.826 13.373 2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.388 12.625 0.699 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.505 13.073 -0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -8.432 14.305 3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.102 14.874 3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.521 13.927 -0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.253 14.675 1.157 1.00 0.00 H new ATOM 1528 N PHE A 100 -9.333 8.417 2.179 1.00 0.00 N ATOM 1529 CA PHE A 100 -10.159 7.506 1.357 1.00 0.00 C ATOM 1530 C PHE A 100 -11.119 6.657 2.211 1.00 0.00 C ATOM 1531 O PHE A 100 -12.295 6.996 2.343 1.00 0.00 O ATOM 1532 CB PHE A 100 -9.187 6.675 0.502 1.00 0.00 C ATOM 1533 CG PHE A 100 -9.776 5.483 -0.259 1.00 0.00 C ATOM 1534 CD1 PHE A 100 -11.030 5.546 -0.879 1.00 0.00 C ATOM 1535 CD2 PHE A 100 -9.083 4.261 -0.224 1.00 0.00 C ATOM 1536 CE1 PHE A 100 -11.603 4.390 -1.429 1.00 0.00 C ATOM 1537 CE2 PHE A 100 -9.650 3.110 -0.769 1.00 0.00 C ATOM 1538 CZ PHE A 100 -10.912 3.174 -1.378 1.00 0.00 C ATOM 0 H PHE A 100 -8.335 8.221 2.106 1.00 0.00 H new ATOM 0 HA PHE A 100 -10.827 8.067 0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.718 7.341 -0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -8.395 6.304 1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -11.557 6.487 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.104 4.213 0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -12.578 4.438 -1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.119 2.171 -0.722 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.350 2.285 -1.807 1.00 0.00 H new ATOM 1548 N LEU A 101 -10.565 5.677 2.927 1.00 0.00 N ATOM 1549 CA LEU A 101 -11.331 4.720 3.753 1.00 0.00 C ATOM 1550 C LEU A 101 -12.185 5.381 4.850 1.00 0.00 C ATOM 1551 O LEU A 101 -13.340 5.003 5.046 1.00 0.00 O ATOM 1552 CB LEU A 101 -10.331 3.712 4.358 1.00 0.00 C ATOM 1553 CG LEU A 101 -10.912 2.690 5.346 1.00 0.00 C ATOM 1554 CD1 LEU A 101 -11.942 1.759 4.696 1.00 0.00 C ATOM 1555 CD2 LEU A 101 -9.768 1.870 5.954 1.00 0.00 C ATOM 0 H LEU A 101 -9.558 5.517 2.955 1.00 0.00 H new ATOM 0 HA LEU A 101 -12.053 4.219 3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.857 3.168 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.546 4.272 4.866 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.437 3.243 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -12.319 1.058 5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -12.769 2.350 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.471 1.207 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -10.175 1.143 6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -9.233 1.348 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -9.082 2.535 6.478 1.00 0.00 H new ATOM 1567 N LYS A 102 -11.646 6.432 5.461 1.00 0.00 N ATOM 1568 CA LYS A 102 -12.334 7.171 6.533 1.00 0.00 C ATOM 1569 C LYS A 102 -12.753 8.594 6.114 1.00 0.00 C ATOM 1570 O LYS A 102 -12.859 9.504 6.942 1.00 0.00 O ATOM 1571 CB LYS A 102 -11.444 7.175 7.792 1.00 0.00 C ATOM 1572 CG LYS A 102 -11.332 5.777 8.398 1.00 0.00 C ATOM 1573 CD LYS A 102 -10.465 5.799 9.664 1.00 0.00 C ATOM 1574 CE LYS A 102 -10.382 4.416 10.310 1.00 0.00 C ATOM 1575 NZ LYS A 102 -11.685 3.974 10.836 1.00 0.00 N ATOM 0 H LYS A 102 -10.723 6.800 5.233 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.270 6.658 6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.451 7.543 7.536 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.858 7.862 8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.326 5.400 8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.900 5.093 7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -9.462 6.146 9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -10.879 6.511 10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.023 3.694 9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.652 4.437 11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.552 3.127 11.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.103 4.733 11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.321 3.749 10.044 1.00 0.00 H new ATOM 1589 N ALA A 103 -13.197 8.698 4.861 1.00 0.00 N ATOM 1590 CA ALA A 103 -13.674 9.960 4.242 1.00 0.00 C ATOM 1591 C ALA A 103 -14.698 10.752 5.067 1.00 0.00 C ATOM 1592 O ALA A 103 -14.483 11.936 5.328 1.00 0.00 O ATOM 1593 CB ALA A 103 -14.256 9.662 2.858 1.00 0.00 C ATOM 0 H ALA A 103 -13.241 7.900 4.227 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.794 10.601 4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -14.606 10.589 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.486 9.217 2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -15.091 8.968 2.956 1.00 0.00 H new ATOM 1599 N TYR A 104 -15.633 10.023 5.680 1.00 0.00 N ATOM 1600 CA TYR A 104 -16.687 10.577 6.569 1.00 0.00 C ATOM 1601 C TYR A 104 -16.103 11.477 7.670 1.00 0.00 C ATOM 1602 O TYR A 104 -16.267 12.699 7.633 1.00 0.00 O ATOM 1603 CB TYR A 104 -17.478 9.390 7.135 1.00 0.00 C ATOM 1604 CG TYR A 104 -18.685 9.815 7.973 1.00 0.00 C ATOM 1605 CD1 TYR A 104 -18.543 10.027 9.354 1.00 0.00 C ATOM 1606 CD2 TYR A 104 -19.908 10.092 7.345 1.00 0.00 C ATOM 1607 CE1 TYR A 104 -19.616 10.551 10.093 1.00 0.00 C ATOM 1608 CE2 TYR A 104 -20.975 10.605 8.090 1.00 0.00 C ATOM 1609 CZ TYR A 104 -20.833 10.857 9.459 1.00 0.00 C ATOM 1610 OH TYR A 104 -21.662 11.746 10.063 1.00 0.00 O ATOM 0 H TYR A 104 -15.690 9.010 5.578 1.00 0.00 H new ATOM 0 HA TYR A 104 -17.353 11.228 6.004 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -17.819 8.763 6.311 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -16.815 8.779 7.748 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -17.612 9.788 9.846 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -20.026 9.909 6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -19.506 10.720 11.154 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -21.918 10.809 7.604 1.00 0.00 H new ATOM 0 HH TYR A 104 -22.467 11.866 9.517 1.00 0.00 H new