USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 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 -94:sc= -0.459 USER MOD Set 1.2: A 28 GLN : amide:sc= -2.09! C(o=-2.5!,f=-6.8!) USER MOD Single : A 23 THR OG1 : rot -25:sc= 0.0591 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.48) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0171) USER MOD Single : A 36 TYR OH : rot 50:sc= -0.341 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc=-0.00114 X(o=-0.0011,f=-0.16) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0948 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 157:sc= -2.26! (180deg=-3.92!) USER MOD Single : A 49 HIS : no HD1:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.794 K(o=-0.79,f=-0.17) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= 0.411 (180deg=-0.319) USER MOD Single : A 62 GLN : amide:sc= -0.45 X(o=-0.45,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 67 ASN : amide:sc= -4.51! C(o=-4.5!,f=-2.7!) USER MOD Single : A 68 THR OG1 : rot 80:sc= 0.513 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 23 10.519 -6.707 -9.921 1.00 0.00 N ATOM 302 CA THR A 23 9.674 -5.541 -10.146 1.00 0.00 C ATOM 303 C THR A 23 8.274 -5.761 -9.586 1.00 0.00 C ATOM 304 O THR A 23 7.958 -6.840 -9.083 1.00 0.00 O ATOM 305 CB THR A 23 9.569 -5.206 -11.646 1.00 0.00 C ATOM 306 OG1 THR A 23 9.045 -6.328 -12.363 1.00 0.00 O ATOM 307 CG2 THR A 23 10.929 -4.825 -12.212 1.00 0.00 C ATOM 0 HA THR A 23 10.142 -4.705 -9.626 1.00 0.00 H new ATOM 0 HB THR A 23 8.895 -4.357 -11.760 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.235 -7.151 -11.866 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.830 -4.593 -13.272 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.311 -3.952 -11.684 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.622 -5.657 -12.086 1.00 0.00 H new ATOM 315 N ILE A 24 7.437 -4.732 -9.677 1.00 0.00 N ATOM 316 CA ILE A 24 6.069 -4.815 -9.181 1.00 0.00 C ATOM 317 C ILE A 24 5.064 -4.751 -10.327 1.00 0.00 C ATOM 318 O ILE A 24 5.373 -4.258 -11.412 1.00 0.00 O ATOM 319 CB ILE A 24 5.764 -3.684 -8.182 1.00 0.00 C ATOM 320 CG1 ILE A 24 6.825 -3.646 -7.080 1.00 0.00 C ATOM 321 CG2 ILE A 24 4.377 -3.866 -7.583 1.00 0.00 C ATOM 322 CD1 ILE A 24 6.774 -2.393 -6.235 1.00 0.00 C ATOM 0 H ILE A 24 7.683 -3.832 -10.089 1.00 0.00 H new ATOM 0 HA ILE A 24 5.975 -5.774 -8.672 1.00 0.00 H new ATOM 0 HB ILE A 24 5.787 -2.733 -8.715 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.698 -4.515 -6.435 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.812 -3.728 -7.534 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.176 -3.059 -6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.632 -3.848 -8.378 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.328 -4.822 -7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.554 -2.435 -5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.931 -1.520 -6.869 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.800 -2.320 -5.752 1.00 0.00 H new ATOM 334 N THR A 25 3.859 -5.253 -10.077 1.00 0.00 N ATOM 335 CA THR A 25 2.807 -5.253 -11.087 1.00 0.00 C ATOM 336 C THR A 25 1.705 -4.262 -10.732 1.00 0.00 C ATOM 337 O THR A 25 1.490 -3.926 -9.568 1.00 0.00 O ATOM 338 CB THR A 25 2.188 -6.654 -11.253 1.00 0.00 C ATOM 339 OG1 THR A 25 1.797 -7.171 -9.976 1.00 0.00 O ATOM 340 CG2 THR A 25 3.175 -7.606 -11.912 1.00 0.00 C ATOM 0 H THR A 25 3.587 -5.665 -9.184 1.00 0.00 H new ATOM 0 HA THR A 25 3.271 -4.955 -12.027 1.00 0.00 H new ATOM 0 HB THR A 25 1.310 -6.567 -11.893 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.522 -7.719 -9.609 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.716 -8.589 -12.019 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.448 -7.224 -12.896 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.069 -7.688 -11.294 1.00 0.00 H new ATOM 348 N PRO A 26 0.988 -3.781 -11.759 1.00 0.00 N ATOM 349 CA PRO A 26 -0.106 -2.821 -11.580 1.00 0.00 C ATOM 350 C PRO A 26 -1.318 -3.445 -10.898 1.00 0.00 C ATOM 351 O PRO A 26 -2.223 -2.739 -10.453 1.00 0.00 O ATOM 352 CB PRO A 26 -0.452 -2.407 -13.012 1.00 0.00 C ATOM 353 CG PRO A 26 -0.019 -3.557 -13.854 1.00 0.00 C ATOM 354 CD PRO A 26 1.189 -4.137 -13.173 1.00 0.00 C ATOM 0 HA PRO A 26 0.183 -1.988 -10.939 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.519 -2.216 -13.122 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.067 -1.491 -13.296 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.813 -4.299 -13.939 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.222 -3.231 -14.866 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.248 -5.217 -13.311 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.114 -3.714 -13.566 1.00 0.00 H new ATOM 362 N GLU A 27 -1.330 -4.772 -10.819 1.00 0.00 N ATOM 363 CA GLU A 27 -2.433 -5.490 -10.190 1.00 0.00 C ATOM 364 C GLU A 27 -2.105 -5.828 -8.739 1.00 0.00 C ATOM 365 O GLU A 27 -2.982 -6.221 -7.970 1.00 0.00 O ATOM 366 CB GLU A 27 -2.744 -6.772 -10.966 1.00 0.00 C ATOM 367 CG GLU A 27 -3.189 -6.524 -12.398 1.00 0.00 C ATOM 368 CD GLU A 27 -4.061 -7.640 -12.940 1.00 0.00 C ATOM 369 OE1 GLU A 27 -3.524 -8.735 -13.209 1.00 0.00 O ATOM 370 OE2 GLU A 27 -5.280 -7.418 -13.094 1.00 0.00 O ATOM 0 H GLU A 27 -0.589 -5.371 -11.182 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.310 -4.843 -10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.857 -7.406 -10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.525 -7.323 -10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.738 -5.583 -12.446 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.310 -6.413 -13.033 1.00 0.00 H new ATOM 377 N GLN A 28 -0.837 -5.673 -8.373 1.00 0.00 N ATOM 378 CA GLN A 28 -0.393 -5.963 -7.015 1.00 0.00 C ATOM 379 C GLN A 28 -0.353 -4.692 -6.172 1.00 0.00 C ATOM 380 O GLN A 28 -0.795 -4.683 -5.022 1.00 0.00 O ATOM 381 CB GLN A 28 0.989 -6.618 -7.036 1.00 0.00 C ATOM 382 CG GLN A 28 0.961 -8.085 -7.433 1.00 0.00 C ATOM 383 CD GLN A 28 2.343 -8.707 -7.470 1.00 0.00 C ATOM 384 OE1 GLN A 28 3.144 -8.415 -8.359 1.00 0.00 O ATOM 385 NE2 GLN A 28 2.631 -9.568 -6.501 1.00 0.00 N ATOM 0 H GLN A 28 -0.099 -5.348 -8.998 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.108 -6.653 -6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.629 -6.074 -7.731 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.441 -6.526 -6.048 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.338 -8.636 -6.729 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.496 -8.183 -8.414 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.937 -9.780 -5.785 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.547 -10.017 -6.473 1.00 0.00 H new ATOM 394 N LEU A 29 0.178 -3.621 -6.751 1.00 0.00 N ATOM 395 CA LEU A 29 0.276 -2.344 -6.053 1.00 0.00 C ATOM 396 C LEU A 29 -1.021 -2.025 -5.316 1.00 0.00 C ATOM 397 O LEU A 29 -1.019 -1.799 -4.106 1.00 0.00 O ATOM 398 CB LEU A 29 0.603 -1.223 -7.042 1.00 0.00 C ATOM 399 CG LEU A 29 2.086 -1.003 -7.341 1.00 0.00 C ATOM 400 CD1 LEU A 29 2.268 -0.405 -8.727 1.00 0.00 C ATOM 401 CD2 LEU A 29 2.716 -0.107 -6.284 1.00 0.00 C ATOM 0 H LEU A 29 0.547 -3.611 -7.702 1.00 0.00 H new ATOM 0 HA LEU A 29 1.079 -2.420 -5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.091 -1.433 -7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.189 -0.292 -6.655 1.00 0.00 H new ATOM 0 HG LEU A 29 2.589 -1.969 -7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.330 -0.255 -8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.854 -1.083 -9.473 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.751 0.553 -8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.772 0.039 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.210 0.858 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.618 -0.576 -5.305 1.00 0.00 H new ATOM 413 N GLU A 30 -2.127 -2.010 -6.054 1.00 0.00 N ATOM 414 CA GLU A 30 -3.431 -1.721 -5.470 1.00 0.00 C ATOM 415 C GLU A 30 -3.521 -2.263 -4.046 1.00 0.00 C ATOM 416 O GLU A 30 -3.760 -1.512 -3.099 1.00 0.00 O ATOM 417 CB GLU A 30 -4.544 -2.324 -6.328 1.00 0.00 C ATOM 418 CG GLU A 30 -4.327 -2.144 -7.821 1.00 0.00 C ATOM 419 CD GLU A 30 -4.030 -0.705 -8.198 1.00 0.00 C ATOM 420 OE1 GLU A 30 -4.988 0.046 -8.476 1.00 0.00 O ATOM 421 OE2 GLU A 30 -2.838 -0.331 -8.214 1.00 0.00 O ATOM 0 H GLU A 30 -2.145 -2.195 -7.057 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.554 -0.638 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.625 -3.388 -6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.494 -1.867 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.501 -2.778 -8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.215 -2.480 -8.357 1.00 0.00 H new ATOM 428 N ILE A 31 -3.329 -3.570 -3.903 1.00 0.00 N ATOM 429 CA ILE A 31 -3.388 -4.212 -2.596 1.00 0.00 C ATOM 430 C ILE A 31 -2.438 -3.541 -1.610 1.00 0.00 C ATOM 431 O ILE A 31 -2.789 -3.308 -0.453 1.00 0.00 O ATOM 432 CB ILE A 31 -3.041 -5.709 -2.688 1.00 0.00 C ATOM 433 CG1 ILE A 31 -3.928 -6.398 -3.728 1.00 0.00 C ATOM 434 CG2 ILE A 31 -3.196 -6.374 -1.328 1.00 0.00 C ATOM 435 CD1 ILE A 31 -3.266 -7.581 -4.399 1.00 0.00 C ATOM 0 H ILE A 31 -3.131 -4.205 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.412 -4.106 -2.239 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.002 -5.807 -3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.847 -6.732 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.213 -5.672 -4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.947 -7.432 -1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.526 -5.898 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.226 -6.269 -0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.952 -8.020 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.362 -7.250 -4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.006 -8.327 -3.648 1.00 0.00 H new ATOM 447 N LEU A 32 -1.233 -3.230 -2.076 1.00 0.00 N ATOM 448 CA LEU A 32 -0.231 -2.583 -1.237 1.00 0.00 C ATOM 449 C LEU A 32 -0.703 -1.203 -0.791 1.00 0.00 C ATOM 450 O LEU A 32 -0.650 -0.869 0.393 1.00 0.00 O ATOM 451 CB LEU A 32 1.094 -2.463 -1.991 1.00 0.00 C ATOM 452 CG LEU A 32 1.652 -3.760 -2.578 1.00 0.00 C ATOM 453 CD1 LEU A 32 2.832 -3.468 -3.493 1.00 0.00 C ATOM 454 CD2 LEU A 32 2.060 -4.717 -1.467 1.00 0.00 C ATOM 0 H LEU A 32 -0.926 -3.416 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.082 -3.199 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.964 -1.747 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.838 -2.045 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 32 0.869 -4.235 -3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.216 -4.403 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.509 -2.821 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.618 -2.970 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.455 -5.634 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.827 -4.251 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.191 -4.952 -0.852 1.00 0.00 H new ATOM 466 N TYR A 33 -1.166 -0.405 -1.747 1.00 0.00 N ATOM 467 CA TYR A 33 -1.647 0.940 -1.454 1.00 0.00 C ATOM 468 C TYR A 33 -2.799 0.900 -0.454 1.00 0.00 C ATOM 469 O TYR A 33 -2.833 1.677 0.500 1.00 0.00 O ATOM 470 CB TYR A 33 -2.097 1.635 -2.740 1.00 0.00 C ATOM 471 CG TYR A 33 -0.958 2.231 -3.537 1.00 0.00 C ATOM 472 CD1 TYR A 33 -0.149 3.221 -2.994 1.00 0.00 C ATOM 473 CD2 TYR A 33 -0.692 1.804 -4.832 1.00 0.00 C ATOM 474 CE1 TYR A 33 0.893 3.769 -3.718 1.00 0.00 C ATOM 475 CE2 TYR A 33 0.348 2.345 -5.563 1.00 0.00 C ATOM 476 CZ TYR A 33 1.137 3.327 -5.002 1.00 0.00 C ATOM 477 OH TYR A 33 2.173 3.870 -5.727 1.00 0.00 O ATOM 0 H TYR A 33 -1.218 -0.666 -2.732 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.826 1.504 -1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.629 0.917 -3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.805 2.424 -2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.337 3.568 -1.989 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.309 1.036 -5.275 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.512 4.538 -3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.542 2.001 -6.568 1.00 0.00 H new ATOM 0 HH TYR A 33 2.210 3.448 -6.611 1.00 0.00 H new ATOM 487 N GLN A 34 -3.739 -0.011 -0.681 1.00 0.00 N ATOM 488 CA GLN A 34 -4.893 -0.152 0.199 1.00 0.00 C ATOM 489 C GLN A 34 -4.454 -0.443 1.630 1.00 0.00 C ATOM 490 O GLN A 34 -5.045 0.058 2.587 1.00 0.00 O ATOM 491 CB GLN A 34 -5.810 -1.270 -0.302 1.00 0.00 C ATOM 492 CG GLN A 34 -6.876 -0.792 -1.274 1.00 0.00 C ATOM 493 CD GLN A 34 -7.667 0.386 -0.740 1.00 0.00 C ATOM 494 OE1 GLN A 34 -8.607 0.216 0.037 1.00 0.00 O ATOM 495 NE2 GLN A 34 -7.290 1.590 -1.155 1.00 0.00 N ATOM 0 H GLN A 34 -3.725 -0.662 -1.466 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.441 0.790 0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.204 -2.035 -0.787 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.295 -1.742 0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.404 -0.511 -2.215 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.558 -1.614 -1.492 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.505 1.685 -1.799 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.785 2.420 -0.829 1.00 0.00 H new ATOM 504 N LYS A 35 -3.412 -1.255 1.771 1.00 0.00 N ATOM 505 CA LYS A 35 -2.891 -1.613 3.085 1.00 0.00 C ATOM 506 C LYS A 35 -2.103 -0.456 3.691 1.00 0.00 C ATOM 507 O LYS A 35 -2.057 -0.295 4.911 1.00 0.00 O ATOM 508 CB LYS A 35 -2.000 -2.853 2.983 1.00 0.00 C ATOM 509 CG LYS A 35 -2.718 -4.075 2.437 1.00 0.00 C ATOM 510 CD LYS A 35 -3.519 -4.780 3.519 1.00 0.00 C ATOM 511 CE LYS A 35 -4.584 -5.687 2.921 1.00 0.00 C ATOM 512 NZ LYS A 35 -5.758 -4.914 2.430 1.00 0.00 N ATOM 0 H LYS A 35 -2.911 -1.678 0.990 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.737 -1.834 3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.148 -2.626 2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.603 -3.087 3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.383 -3.776 1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.990 -4.767 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.848 -5.368 4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.991 -4.040 4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.155 -6.258 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.911 -6.407 3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.516 -5.571 2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.101 -4.286 3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.478 -4.344 1.606 1.00 0.00 H new ATOM 526 N TYR A 36 -1.486 0.348 2.832 1.00 0.00 N ATOM 527 CA TYR A 36 -0.699 1.490 3.283 1.00 0.00 C ATOM 528 C TYR A 36 -1.605 2.619 3.765 1.00 0.00 C ATOM 529 O TYR A 36 -1.436 3.139 4.869 1.00 0.00 O ATOM 530 CB TYR A 36 0.203 1.992 2.155 1.00 0.00 C ATOM 531 CG TYR A 36 0.864 3.318 2.453 1.00 0.00 C ATOM 532 CD1 TYR A 36 0.214 4.517 2.184 1.00 0.00 C ATOM 533 CD2 TYR A 36 2.139 3.374 3.002 1.00 0.00 C ATOM 534 CE1 TYR A 36 0.814 5.731 2.454 1.00 0.00 C ATOM 535 CE2 TYR A 36 2.747 4.584 3.277 1.00 0.00 C ATOM 536 CZ TYR A 36 2.080 5.760 3.001 1.00 0.00 C ATOM 537 OH TYR A 36 2.682 6.967 3.272 1.00 0.00 O ATOM 0 H TYR A 36 -1.516 0.230 1.819 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.078 1.164 4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.974 1.247 1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.388 2.087 1.244 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.778 4.499 1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.664 2.455 3.218 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.295 6.653 2.238 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.738 4.609 3.705 1.00 0.00 H new ATOM 0 HH TYR A 36 2.065 7.533 3.781 1.00 0.00 H new ATOM 547 N LEU A 37 -2.568 2.994 2.930 1.00 0.00 N ATOM 548 CA LEU A 37 -3.503 4.061 3.270 1.00 0.00 C ATOM 549 C LEU A 37 -4.115 3.831 4.648 1.00 0.00 C ATOM 550 O LEU A 37 -4.280 4.767 5.430 1.00 0.00 O ATOM 551 CB LEU A 37 -4.608 4.152 2.217 1.00 0.00 C ATOM 552 CG LEU A 37 -4.151 4.441 0.787 1.00 0.00 C ATOM 553 CD1 LEU A 37 -5.230 4.046 -0.209 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.789 5.911 0.629 1.00 0.00 C ATOM 0 H LEU A 37 -2.722 2.575 2.013 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.951 5.001 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.161 3.213 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.306 4.933 2.519 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.262 3.845 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.886 4.259 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.440 2.981 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.138 4.615 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.466 6.098 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.660 6.526 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.981 6.163 1.316 1.00 0.00 H new ATOM 566 N LEU A 38 -4.449 2.578 4.939 1.00 0.00 N ATOM 567 CA LEU A 38 -5.041 2.223 6.224 1.00 0.00 C ATOM 568 C LEU A 38 -3.960 1.977 7.272 1.00 0.00 C ATOM 569 O LEU A 38 -4.162 2.234 8.459 1.00 0.00 O ATOM 570 CB LEU A 38 -5.918 0.979 6.078 1.00 0.00 C ATOM 571 CG LEU A 38 -5.218 -0.364 6.281 1.00 0.00 C ATOM 572 CD1 LEU A 38 -5.124 -0.698 7.762 1.00 0.00 C ATOM 573 CD2 LEU A 38 -5.949 -1.467 5.529 1.00 0.00 C ATOM 0 H LEU A 38 -4.320 1.791 4.303 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.659 3.058 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.737 1.051 6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.363 0.987 5.083 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.207 -0.289 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.623 -1.658 7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.556 0.078 8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.126 -0.754 8.187 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.436 -2.416 5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.972 -1.543 5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.963 -1.234 4.464 1.00 0.00 H new ATOM 585 N ASP A 39 -2.812 1.480 6.825 1.00 0.00 N ATOM 586 CA ASP A 39 -1.698 1.201 7.724 1.00 0.00 C ATOM 587 C ASP A 39 -0.365 1.349 6.997 1.00 0.00 C ATOM 588 O ASP A 39 0.019 0.490 6.203 1.00 0.00 O ATOM 589 CB ASP A 39 -1.823 -0.208 8.305 1.00 0.00 C ATOM 590 CG ASP A 39 -0.475 -0.830 8.611 1.00 0.00 C ATOM 591 OD1 ASP A 39 0.142 -1.394 7.684 1.00 0.00 O ATOM 592 OD2 ASP A 39 -0.037 -0.753 9.778 1.00 0.00 O ATOM 0 H ASP A 39 -2.628 1.262 5.846 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.730 1.924 8.539 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.418 -0.170 9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.361 -0.842 7.600 1.00 0.00 H new ATOM 597 N SER A 40 0.337 2.443 7.275 1.00 0.00 N ATOM 598 CA SER A 40 1.625 2.706 6.644 1.00 0.00 C ATOM 599 C SER A 40 2.769 2.463 7.624 1.00 0.00 C ATOM 600 O SER A 40 3.932 2.714 7.312 1.00 0.00 O ATOM 601 CB SER A 40 1.679 4.144 6.126 1.00 0.00 C ATOM 602 OG SER A 40 1.306 5.065 7.136 1.00 0.00 O ATOM 0 H SER A 40 0.035 3.162 7.933 1.00 0.00 H new ATOM 0 HA SER A 40 1.737 2.021 5.804 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.687 4.370 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.014 4.250 5.269 1.00 0.00 H new ATOM 0 HG SER A 40 1.350 5.977 6.780 1.00 0.00 H new ATOM 608 N ASN A 41 2.428 1.973 8.812 1.00 0.00 N ATOM 609 CA ASN A 41 3.426 1.697 9.839 1.00 0.00 C ATOM 610 C ASN A 41 3.275 0.277 10.376 1.00 0.00 C ATOM 611 O ASN A 41 3.253 0.042 11.584 1.00 0.00 O ATOM 612 CB ASN A 41 3.301 2.703 10.985 1.00 0.00 C ATOM 613 CG ASN A 41 4.168 3.929 10.774 1.00 0.00 C ATOM 614 OD1 ASN A 41 5.373 3.820 10.546 1.00 0.00 O ATOM 615 ND2 ASN A 41 3.556 5.106 10.851 1.00 0.00 N ATOM 0 H ASN A 41 1.469 1.759 9.087 1.00 0.00 H new ATOM 0 HA ASN A 41 4.413 1.793 9.386 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.260 3.010 11.084 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.581 2.220 11.921 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.087 5.967 10.719 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.555 5.149 11.042 1.00 0.00 H new ATOM 622 N PRO A 42 3.168 -0.695 9.457 1.00 0.00 N ATOM 623 CA PRO A 42 3.018 -2.109 9.814 1.00 0.00 C ATOM 624 C PRO A 42 4.289 -2.690 10.424 1.00 0.00 C ATOM 625 O PRO A 42 5.312 -2.011 10.521 1.00 0.00 O ATOM 626 CB PRO A 42 2.712 -2.782 8.474 1.00 0.00 C ATOM 627 CG PRO A 42 3.314 -1.882 7.451 1.00 0.00 C ATOM 628 CD PRO A 42 3.186 -0.488 7.999 1.00 0.00 C ATOM 0 HA PRO A 42 2.246 -2.260 10.568 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.144 -3.781 8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.638 -2.891 8.322 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.359 -2.137 7.273 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.796 -1.975 6.496 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.021 0.142 7.693 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.275 -0.001 7.651 1.00 0.00 H new ATOM 636 N THR A 43 4.219 -3.953 10.835 1.00 0.00 N ATOM 637 CA THR A 43 5.363 -4.626 11.437 1.00 0.00 C ATOM 638 C THR A 43 5.805 -5.818 10.595 1.00 0.00 C ATOM 639 O THR A 43 5.026 -6.357 9.809 1.00 0.00 O ATOM 640 CB THR A 43 5.044 -5.109 12.864 1.00 0.00 C ATOM 641 OG1 THR A 43 6.187 -5.763 13.427 1.00 0.00 O ATOM 642 CG2 THR A 43 3.859 -6.064 12.860 1.00 0.00 C ATOM 0 H THR A 43 3.381 -4.530 10.762 1.00 0.00 H new ATOM 0 HA THR A 43 6.172 -3.896 11.481 1.00 0.00 H new ATOM 0 HB THR A 43 4.788 -4.239 13.469 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.976 -6.066 14.335 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.652 -6.392 13.879 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.983 -5.555 12.458 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.092 -6.930 12.240 1.00 0.00 H new ATOM 650 N ARG A 44 7.058 -6.224 10.766 1.00 0.00 N ATOM 651 CA ARG A 44 7.603 -7.353 10.021 1.00 0.00 C ATOM 652 C ARG A 44 6.534 -8.416 9.785 1.00 0.00 C ATOM 653 O ARG A 44 6.394 -8.936 8.677 1.00 0.00 O ATOM 654 CB ARG A 44 8.787 -7.964 10.773 1.00 0.00 C ATOM 655 CG ARG A 44 9.701 -8.801 9.894 1.00 0.00 C ATOM 656 CD ARG A 44 10.811 -7.959 9.284 1.00 0.00 C ATOM 657 NE ARG A 44 11.927 -8.779 8.819 1.00 0.00 N ATOM 658 CZ ARG A 44 13.164 -8.319 8.668 1.00 0.00 C ATOM 659 NH1 ARG A 44 13.443 -7.052 8.945 1.00 0.00 N ATOM 660 NH2 ARG A 44 14.126 -9.127 8.241 1.00 0.00 N ATOM 0 H ARG A 44 7.715 -5.789 11.413 1.00 0.00 H new ATOM 0 HA ARG A 44 7.946 -6.986 9.054 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.369 -7.163 11.229 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.409 -8.585 11.585 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.137 -9.607 10.484 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.118 -9.267 9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.412 -7.383 8.449 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.170 -7.243 10.023 1.00 0.00 H new ATOM 0 HE ARG A 44 11.747 -9.758 8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.707 -6.428 9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.394 -6.702 8.828 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.916 -10.102 8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.076 -8.773 8.125 1.00 0.00 H new ATOM 674 N LYS A 45 5.782 -8.734 10.832 1.00 0.00 N ATOM 675 CA LYS A 45 4.725 -9.734 10.740 1.00 0.00 C ATOM 676 C LYS A 45 3.771 -9.413 9.594 1.00 0.00 C ATOM 677 O LYS A 45 3.526 -10.250 8.725 1.00 0.00 O ATOM 678 CB LYS A 45 3.949 -9.808 12.057 1.00 0.00 C ATOM 679 CG LYS A 45 3.254 -11.140 12.279 1.00 0.00 C ATOM 680 CD LYS A 45 4.251 -12.246 12.582 1.00 0.00 C ATOM 681 CE LYS A 45 4.819 -12.115 13.987 1.00 0.00 C ATOM 682 NZ LYS A 45 5.890 -13.116 14.248 1.00 0.00 N ATOM 0 H LYS A 45 5.885 -8.313 11.756 1.00 0.00 H new ATOM 0 HA LYS A 45 5.189 -10.700 10.544 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.635 -9.623 12.884 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.205 -9.012 12.076 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.548 -11.050 13.104 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.677 -11.402 11.392 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.765 -13.215 12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.063 -12.214 11.856 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.219 -11.111 14.125 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.018 -12.242 14.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.251 -12.994 15.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.502 -14.075 14.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.666 -12.979 13.569 1.00 0.00 H new ATOM 696 N MET A 46 3.238 -8.196 9.596 1.00 0.00 N ATOM 697 CA MET A 46 2.313 -7.765 8.554 1.00 0.00 C ATOM 698 C MET A 46 2.977 -7.821 7.182 1.00 0.00 C ATOM 699 O MET A 46 2.487 -8.492 6.271 1.00 0.00 O ATOM 700 CB MET A 46 1.819 -6.345 8.836 1.00 0.00 C ATOM 701 CG MET A 46 1.172 -6.187 10.203 1.00 0.00 C ATOM 702 SD MET A 46 -0.602 -6.509 10.173 1.00 0.00 S ATOM 703 CE MET A 46 -0.624 -8.241 9.718 1.00 0.00 C ATOM 0 H MET A 46 3.430 -7.491 10.307 1.00 0.00 H new ATOM 0 HA MET A 46 1.461 -8.445 8.555 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.659 -5.655 8.759 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.100 -6.060 8.068 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.649 -6.868 10.907 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.348 -5.175 10.569 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.562 -8.691 10.044 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.534 -8.334 8.636 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.210 -8.754 10.197 1.00 0.00 H new ATOM 713 N LEU A 47 4.092 -7.114 7.039 1.00 0.00 N ATOM 714 CA LEU A 47 4.823 -7.084 5.777 1.00 0.00 C ATOM 715 C LEU A 47 4.895 -8.475 5.156 1.00 0.00 C ATOM 716 O LEU A 47 4.755 -8.632 3.943 1.00 0.00 O ATOM 717 CB LEU A 47 6.235 -6.537 5.995 1.00 0.00 C ATOM 718 CG LEU A 47 6.329 -5.066 6.403 1.00 0.00 C ATOM 719 CD1 LEU A 47 7.744 -4.724 6.842 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.891 -4.165 5.258 1.00 0.00 C ATOM 0 H LEU A 47 4.510 -6.553 7.782 1.00 0.00 H new ATOM 0 HA LEU A 47 4.287 -6.427 5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.721 -7.138 6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.803 -6.675 5.075 1.00 0.00 H new ATOM 0 HG LEU A 47 5.658 -4.899 7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.792 -3.673 7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.021 -5.346 7.693 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.435 -4.907 6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.965 -3.122 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.535 -4.334 4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.859 -4.392 4.991 1.00 0.00 H new ATOM 732 N ASP A 48 5.112 -9.481 5.995 1.00 0.00 N ATOM 733 CA ASP A 48 5.199 -10.860 5.529 1.00 0.00 C ATOM 734 C ASP A 48 3.859 -11.331 4.971 1.00 0.00 C ATOM 735 O ASP A 48 3.794 -11.900 3.881 1.00 0.00 O ATOM 736 CB ASP A 48 5.642 -11.779 6.668 1.00 0.00 C ATOM 737 CG ASP A 48 6.094 -13.139 6.173 1.00 0.00 C ATOM 738 OD1 ASP A 48 5.235 -13.916 5.706 1.00 0.00 O ATOM 739 OD2 ASP A 48 7.307 -13.426 6.252 1.00 0.00 O ATOM 0 H ASP A 48 5.231 -9.368 7.002 1.00 0.00 H new ATOM 0 HA ASP A 48 5.940 -10.901 4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.457 -11.306 7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.818 -11.907 7.369 1.00 0.00 H new ATOM 744 N HIS A 49 2.792 -11.090 5.726 1.00 0.00 N ATOM 745 CA HIS A 49 1.453 -11.490 5.307 1.00 0.00 C ATOM 746 C HIS A 49 1.046 -10.767 4.026 1.00 0.00 C ATOM 747 O HIS A 49 0.748 -11.401 3.013 1.00 0.00 O ATOM 748 CB HIS A 49 0.440 -11.197 6.415 1.00 0.00 C ATOM 749 CG HIS A 49 -0.947 -11.663 6.096 1.00 0.00 C ATOM 750 ND1 HIS A 49 -1.470 -12.847 6.571 1.00 0.00 N ATOM 751 CD2 HIS A 49 -1.922 -11.096 5.348 1.00 0.00 C ATOM 752 CE1 HIS A 49 -2.706 -12.989 6.127 1.00 0.00 C ATOM 753 NE2 HIS A 49 -3.004 -11.940 5.382 1.00 0.00 N ATOM 0 H HIS A 49 2.828 -10.620 6.631 1.00 0.00 H new ATOM 0 HA HIS A 49 1.466 -12.562 5.110 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.773 -11.676 7.336 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.420 -10.124 6.603 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.860 -10.155 4.822 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.361 -13.821 6.337 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.894 -11.783 4.909 1.00 0.00 H new ATOM 762 N ILE A 50 1.036 -9.440 4.079 1.00 0.00 N ATOM 763 CA ILE A 50 0.666 -8.633 2.922 1.00 0.00 C ATOM 764 C ILE A 50 1.385 -9.111 1.666 1.00 0.00 C ATOM 765 O ILE A 50 0.766 -9.307 0.620 1.00 0.00 O ATOM 766 CB ILE A 50 0.987 -7.144 3.149 1.00 0.00 C ATOM 767 CG1 ILE A 50 0.226 -6.615 4.367 1.00 0.00 C ATOM 768 CG2 ILE A 50 0.643 -6.333 1.909 1.00 0.00 C ATOM 769 CD1 ILE A 50 0.951 -5.506 5.097 1.00 0.00 C ATOM 0 H ILE A 50 1.280 -8.901 4.910 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.410 -8.748 2.788 1.00 0.00 H new ATOM 0 HB ILE A 50 2.055 -7.043 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.750 -6.250 4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.047 -7.438 5.059 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.875 -5.283 2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.226 -6.697 1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.419 -6.437 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.354 -5.180 5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.915 -5.872 5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.107 -4.666 4.420 1.00 0.00 H new ATOM 781 N ALA A 51 2.696 -9.299 1.776 1.00 0.00 N ATOM 782 CA ALA A 51 3.499 -9.759 0.650 1.00 0.00 C ATOM 783 C ALA A 51 3.094 -11.166 0.224 1.00 0.00 C ATOM 784 O ALA A 51 3.340 -11.577 -0.910 1.00 0.00 O ATOM 785 CB ALA A 51 4.978 -9.718 1.005 1.00 0.00 C ATOM 0 H ALA A 51 3.225 -9.140 2.634 1.00 0.00 H new ATOM 0 HA ALA A 51 3.319 -9.088 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.566 -10.064 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.265 -8.696 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.164 -10.365 1.862 1.00 0.00 H new ATOM 791 N HIS A 52 2.471 -11.900 1.140 1.00 0.00 N ATOM 792 CA HIS A 52 2.031 -13.262 0.859 1.00 0.00 C ATOM 793 C HIS A 52 0.714 -13.260 0.089 1.00 0.00 C ATOM 794 O HIS A 52 0.509 -14.075 -0.809 1.00 0.00 O ATOM 795 CB HIS A 52 1.872 -14.048 2.161 1.00 0.00 C ATOM 796 CG HIS A 52 1.423 -15.462 1.956 1.00 0.00 C ATOM 797 ND1 HIS A 52 2.234 -16.552 2.196 1.00 0.00 N ATOM 798 CD2 HIS A 52 0.239 -15.962 1.532 1.00 0.00 C ATOM 799 CE1 HIS A 52 1.568 -17.661 1.927 1.00 0.00 C ATOM 800 NE2 HIS A 52 0.355 -17.330 1.522 1.00 0.00 N ATOM 0 H HIS A 52 2.259 -11.575 2.083 1.00 0.00 H new ATOM 0 HA HIS A 52 2.791 -13.743 0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.824 -14.051 2.692 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.152 -13.536 2.799 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.634 -15.391 1.253 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.950 -18.667 2.022 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.377 -17.985 1.246 1.00 0.00 H new ATOM 809 N GLU A 53 -0.174 -12.338 0.447 1.00 0.00 N ATOM 810 CA GLU A 53 -1.471 -12.232 -0.211 1.00 0.00 C ATOM 811 C GLU A 53 -1.334 -11.576 -1.582 1.00 0.00 C ATOM 812 O GLU A 53 -2.040 -11.932 -2.526 1.00 0.00 O ATOM 813 CB GLU A 53 -2.443 -11.428 0.656 1.00 0.00 C ATOM 814 CG GLU A 53 -2.309 -9.924 0.486 1.00 0.00 C ATOM 815 CD GLU A 53 -3.453 -9.161 1.126 1.00 0.00 C ATOM 816 OE1 GLU A 53 -4.564 -9.167 0.556 1.00 0.00 O ATOM 817 OE2 GLU A 53 -3.236 -8.557 2.197 1.00 0.00 O ATOM 0 H GLU A 53 -0.019 -11.654 1.188 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.864 -13.240 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.464 -11.723 0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.279 -11.683 1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.367 -9.595 0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.267 -9.684 -0.576 1.00 0.00 H new ATOM 824 N VAL A 54 -0.420 -10.616 -1.684 1.00 0.00 N ATOM 825 CA VAL A 54 -0.189 -9.911 -2.938 1.00 0.00 C ATOM 826 C VAL A 54 0.618 -10.766 -3.909 1.00 0.00 C ATOM 827 O VAL A 54 0.522 -10.601 -5.125 1.00 0.00 O ATOM 828 CB VAL A 54 0.551 -8.580 -2.706 1.00 0.00 C ATOM 829 CG1 VAL A 54 0.451 -7.691 -3.937 1.00 0.00 C ATOM 830 CG2 VAL A 54 -0.002 -7.870 -1.479 1.00 0.00 C ATOM 0 H VAL A 54 0.172 -10.309 -0.912 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.168 -9.703 -3.369 1.00 0.00 H new ATOM 0 HB VAL A 54 1.604 -8.796 -2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.980 -6.755 -3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.899 -8.200 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.597 -7.480 -4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.532 -6.932 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.063 -7.665 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.128 -8.504 -0.602 1.00 0.00 H new ATOM 840 N GLY A 55 1.413 -11.681 -3.363 1.00 0.00 N ATOM 841 CA GLY A 55 2.225 -12.549 -4.195 1.00 0.00 C ATOM 842 C GLY A 55 3.483 -11.865 -4.692 1.00 0.00 C ATOM 843 O GLY A 55 3.929 -12.106 -5.815 1.00 0.00 O ATOM 0 H GLY A 55 1.509 -11.837 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.499 -13.439 -3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.636 -12.884 -5.049 1.00 0.00 H new ATOM 847 N LEU A 56 4.058 -11.007 -3.856 1.00 0.00 N ATOM 848 CA LEU A 56 5.272 -10.283 -4.217 1.00 0.00 C ATOM 849 C LEU A 56 6.348 -10.457 -3.150 1.00 0.00 C ATOM 850 O LEU A 56 6.052 -10.494 -1.955 1.00 0.00 O ATOM 851 CB LEU A 56 4.965 -8.797 -4.411 1.00 0.00 C ATOM 852 CG LEU A 56 5.928 -8.025 -5.313 1.00 0.00 C ATOM 853 CD1 LEU A 56 5.856 -8.546 -6.740 1.00 0.00 C ATOM 854 CD2 LEU A 56 5.620 -6.535 -5.271 1.00 0.00 C ATOM 0 H LEU A 56 3.703 -10.796 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 56 5.646 -10.696 -5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.960 -8.705 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.953 -8.318 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 56 6.942 -8.176 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.548 -7.985 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.126 -9.602 -6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.842 -8.425 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.315 -6.001 -5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.600 -6.365 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.724 -6.171 -4.249 1.00 0.00 H new ATOM 866 N LYS A 57 7.597 -10.562 -3.589 1.00 0.00 N ATOM 867 CA LYS A 57 8.719 -10.729 -2.672 1.00 0.00 C ATOM 868 C LYS A 57 8.517 -9.899 -1.408 1.00 0.00 C ATOM 869 O LYS A 57 8.306 -8.688 -1.475 1.00 0.00 O ATOM 870 CB LYS A 57 10.027 -10.326 -3.356 1.00 0.00 C ATOM 871 CG LYS A 57 10.528 -11.348 -4.361 1.00 0.00 C ATOM 872 CD LYS A 57 11.448 -12.367 -3.710 1.00 0.00 C ATOM 873 CE LYS A 57 12.894 -11.895 -3.712 1.00 0.00 C ATOM 874 NZ LYS A 57 13.835 -12.989 -3.346 1.00 0.00 N ATOM 0 H LYS A 57 7.859 -10.534 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 57 8.772 -11.781 -2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.883 -9.371 -3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.792 -10.171 -2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.679 -11.860 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.059 -10.839 -5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.125 -12.548 -2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.374 -13.317 -4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.149 -11.512 -4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.007 -11.069 -3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.810 -12.627 -3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.608 -13.338 -2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.746 -13.767 -4.030 1.00 0.00 H new ATOM 888 N LYS A 58 8.585 -10.558 -0.256 1.00 0.00 N ATOM 889 CA LYS A 58 8.412 -9.881 1.024 1.00 0.00 C ATOM 890 C LYS A 58 9.303 -8.646 1.111 1.00 0.00 C ATOM 891 O LYS A 58 8.873 -7.591 1.578 1.00 0.00 O ATOM 892 CB LYS A 58 8.733 -10.836 2.176 1.00 0.00 C ATOM 893 CG LYS A 58 7.991 -10.509 3.461 1.00 0.00 C ATOM 894 CD LYS A 58 8.755 -9.505 4.307 1.00 0.00 C ATOM 895 CE LYS A 58 8.445 -9.672 5.786 1.00 0.00 C ATOM 896 NZ LYS A 58 8.911 -10.988 6.305 1.00 0.00 N ATOM 0 H LYS A 58 8.759 -11.560 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 58 7.372 -9.564 1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.487 -11.854 1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.805 -10.812 2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.006 -10.109 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.833 -11.423 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.825 -9.629 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.499 -8.493 3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.921 -8.870 6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.371 -9.579 5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.982 -10.947 7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.233 -11.728 6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.844 -11.209 5.903 1.00 0.00 H new ATOM 910 N ARG A 59 10.544 -8.783 0.656 1.00 0.00 N ATOM 911 CA ARG A 59 11.494 -7.678 0.682 1.00 0.00 C ATOM 912 C ARG A 59 10.974 -6.494 -0.128 1.00 0.00 C ATOM 913 O ARG A 59 10.864 -5.380 0.383 1.00 0.00 O ATOM 914 CB ARG A 59 12.849 -8.129 0.134 1.00 0.00 C ATOM 915 CG ARG A 59 13.936 -7.073 0.250 1.00 0.00 C ATOM 916 CD ARG A 59 14.332 -6.839 1.700 1.00 0.00 C ATOM 917 NE ARG A 59 14.908 -8.034 2.310 1.00 0.00 N ATOM 918 CZ ARG A 59 16.186 -8.376 2.194 1.00 0.00 C ATOM 919 NH1 ARG A 59 17.018 -7.615 1.495 1.00 0.00 N ATOM 920 NH2 ARG A 59 16.636 -9.479 2.779 1.00 0.00 N ATOM 0 H ARG A 59 10.915 -9.649 0.265 1.00 0.00 H new ATOM 0 HA ARG A 59 11.616 -7.362 1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.167 -9.025 0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.734 -8.406 -0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.810 -7.385 -0.321 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.585 -6.139 -0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.052 -6.023 1.752 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.456 -6.528 2.269 1.00 0.00 H new ATOM 0 HE ARG A 59 14.295 -8.640 2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.676 -6.765 1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.999 -7.879 1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.000 -10.066 3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.618 -9.740 2.689 1.00 0.00 H new ATOM 934 N VAL A 60 10.656 -6.745 -1.394 1.00 0.00 N ATOM 935 CA VAL A 60 10.147 -5.700 -2.275 1.00 0.00 C ATOM 936 C VAL A 60 8.941 -5.001 -1.658 1.00 0.00 C ATOM 937 O VAL A 60 8.766 -3.792 -1.811 1.00 0.00 O ATOM 938 CB VAL A 60 9.749 -6.270 -3.649 1.00 0.00 C ATOM 939 CG1 VAL A 60 8.998 -5.227 -4.463 1.00 0.00 C ATOM 940 CG2 VAL A 60 10.978 -6.760 -4.399 1.00 0.00 C ATOM 0 H VAL A 60 10.742 -7.662 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 60 10.952 -4.978 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 60 9.085 -7.120 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.725 -5.648 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.095 -4.929 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.635 -4.355 -4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.678 -7.159 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.669 -5.930 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.469 -7.542 -3.820 1.00 0.00 H new ATOM 950 N VAL A 61 8.111 -5.769 -0.960 1.00 0.00 N ATOM 951 CA VAL A 61 6.921 -5.223 -0.318 1.00 0.00 C ATOM 952 C VAL A 61 7.284 -4.445 0.941 1.00 0.00 C ATOM 953 O VAL A 61 6.712 -3.391 1.218 1.00 0.00 O ATOM 954 CB VAL A 61 5.921 -6.335 0.049 1.00 0.00 C ATOM 955 CG1 VAL A 61 4.708 -5.751 0.756 1.00 0.00 C ATOM 956 CG2 VAL A 61 5.504 -7.108 -1.193 1.00 0.00 C ATOM 0 H VAL A 61 8.241 -6.772 -0.825 1.00 0.00 H new ATOM 0 HA VAL A 61 6.455 -4.549 -1.036 1.00 0.00 H new ATOM 0 HB VAL A 61 6.411 -7.028 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.013 -6.552 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.026 -5.247 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.214 -5.035 0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.797 -7.890 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.033 -6.429 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.383 -7.560 -1.652 1.00 0.00 H new ATOM 966 N GLN A 62 8.239 -4.972 1.701 1.00 0.00 N ATOM 967 CA GLN A 62 8.679 -4.326 2.932 1.00 0.00 C ATOM 968 C GLN A 62 9.289 -2.959 2.642 1.00 0.00 C ATOM 969 O GLN A 62 8.992 -1.978 3.324 1.00 0.00 O ATOM 970 CB GLN A 62 9.695 -5.208 3.660 1.00 0.00 C ATOM 971 CG GLN A 62 10.674 -4.424 4.520 1.00 0.00 C ATOM 972 CD GLN A 62 11.726 -5.308 5.160 1.00 0.00 C ATOM 973 OE1 GLN A 62 12.907 -4.961 5.198 1.00 0.00 O ATOM 974 NE2 GLN A 62 11.302 -6.460 5.668 1.00 0.00 N ATOM 0 H GLN A 62 8.722 -5.844 1.486 1.00 0.00 H new ATOM 0 HA GLN A 62 7.807 -4.185 3.571 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.161 -5.920 4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.253 -5.788 2.925 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.164 -3.667 3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.125 -3.896 5.300 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.314 -6.708 5.615 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.964 -7.096 6.111 1.00 0.00 H new ATOM 983 N VAL A 63 10.144 -2.902 1.626 1.00 0.00 N ATOM 984 CA VAL A 63 10.796 -1.655 1.244 1.00 0.00 C ATOM 985 C VAL A 63 9.800 -0.681 0.623 1.00 0.00 C ATOM 986 O VAL A 63 9.815 0.513 0.923 1.00 0.00 O ATOM 987 CB VAL A 63 11.944 -1.903 0.248 1.00 0.00 C ATOM 988 CG1 VAL A 63 12.551 -0.584 -0.207 1.00 0.00 C ATOM 989 CG2 VAL A 63 13.003 -2.801 0.869 1.00 0.00 C ATOM 0 H VAL A 63 10.401 -3.705 1.052 1.00 0.00 H new ATOM 0 HA VAL A 63 11.205 -1.220 2.156 1.00 0.00 H new ATOM 0 HB VAL A 63 11.539 -2.410 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.360 -0.779 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.785 0.020 -0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.943 -0.047 0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.807 -2.966 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 63 13.406 -2.324 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.556 -3.758 1.139 1.00 0.00 H new ATOM 999 N TRP A 64 8.936 -1.200 -0.242 1.00 0.00 N ATOM 1000 CA TRP A 64 7.932 -0.376 -0.905 1.00 0.00 C ATOM 1001 C TRP A 64 7.237 0.544 0.092 1.00 0.00 C ATOM 1002 O TRP A 64 6.748 1.614 -0.272 1.00 0.00 O ATOM 1003 CB TRP A 64 6.899 -1.260 -1.606 1.00 0.00 C ATOM 1004 CG TRP A 64 5.782 -0.485 -2.236 1.00 0.00 C ATOM 1005 CD1 TRP A 64 5.637 -0.186 -3.561 1.00 0.00 C ATOM 1006 CD2 TRP A 64 4.656 0.093 -1.567 1.00 0.00 C ATOM 1007 NE1 TRP A 64 4.488 0.542 -3.755 1.00 0.00 N ATOM 1008 CE2 TRP A 64 3.868 0.726 -2.548 1.00 0.00 C ATOM 1009 CE3 TRP A 64 4.236 0.136 -0.235 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 2.686 1.393 -2.236 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 3.063 0.798 0.073 1.00 0.00 C ATOM 1012 CH2 TRP A 64 2.299 1.419 -0.924 1.00 0.00 C ATOM 0 H TRP A 64 8.910 -2.186 -0.500 1.00 0.00 H new ATOM 0 HA TRP A 64 8.438 0.240 -1.648 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.399 -1.852 -2.373 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.482 -1.962 -0.884 1.00 0.00 H new ATOM 0 HD1 TRP A 64 6.324 -0.479 -4.341 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.151 0.889 -4.653 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.818 -0.340 0.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.096 1.873 -3.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.729 0.837 1.099 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.386 1.928 -0.651 1.00 0.00 H new ATOM 1023 N PHE A 65 7.198 0.123 1.352 1.00 0.00 N ATOM 1024 CA PHE A 65 6.562 0.910 2.402 1.00 0.00 C ATOM 1025 C PHE A 65 7.497 2.008 2.900 1.00 0.00 C ATOM 1026 O PHE A 65 7.117 3.176 2.971 1.00 0.00 O ATOM 1027 CB PHE A 65 6.151 0.007 3.567 1.00 0.00 C ATOM 1028 CG PHE A 65 4.751 -0.524 3.448 1.00 0.00 C ATOM 1029 CD1 PHE A 65 4.451 -1.526 2.539 1.00 0.00 C ATOM 1030 CD2 PHE A 65 3.736 -0.023 4.246 1.00 0.00 C ATOM 1031 CE1 PHE A 65 3.164 -2.016 2.427 1.00 0.00 C ATOM 1032 CE2 PHE A 65 2.446 -0.509 4.139 1.00 0.00 C ATOM 1033 CZ PHE A 65 2.160 -1.508 3.229 1.00 0.00 C ATOM 0 H PHE A 65 7.599 -0.759 1.671 1.00 0.00 H new ATOM 0 HA PHE A 65 5.671 1.378 1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.845 -0.831 3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.241 0.565 4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.232 -1.928 1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.955 0.757 4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.943 -2.796 1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.663 -0.108 4.766 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.154 -1.891 3.145 1.00 0.00 H new ATOM 1043 N GLN A 66 8.722 1.623 3.245 1.00 0.00 N ATOM 1044 CA GLN A 66 9.711 2.574 3.738 1.00 0.00 C ATOM 1045 C GLN A 66 9.984 3.661 2.703 1.00 0.00 C ATOM 1046 O GLN A 66 10.322 4.792 3.051 1.00 0.00 O ATOM 1047 CB GLN A 66 11.012 1.852 4.091 1.00 0.00 C ATOM 1048 CG GLN A 66 11.902 1.579 2.889 1.00 0.00 C ATOM 1049 CD GLN A 66 13.320 1.215 3.283 1.00 0.00 C ATOM 1050 OE1 GLN A 66 14.163 2.088 3.490 1.00 0.00 O ATOM 1051 NE2 GLN A 66 13.590 -0.081 3.390 1.00 0.00 N ATOM 0 H GLN A 66 9.053 0.660 3.192 1.00 0.00 H new ATOM 0 HA GLN A 66 9.310 3.045 4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.566 2.451 4.814 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.773 0.906 4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.473 0.768 2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.922 2.461 2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.860 -0.771 3.209 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.527 -0.387 3.653 1.00 0.00 H new ATOM 1060 N ASN A 67 9.834 3.311 1.430 1.00 0.00 N ATOM 1061 CA ASN A 67 10.065 4.257 0.344 1.00 0.00 C ATOM 1062 C ASN A 67 8.952 5.299 0.285 1.00 0.00 C ATOM 1063 O ASN A 67 9.205 6.481 0.047 1.00 0.00 O ATOM 1064 CB ASN A 67 10.159 3.518 -0.992 1.00 0.00 C ATOM 1065 CG ASN A 67 11.580 3.114 -1.331 1.00 0.00 C ATOM 1066 OD1 ASN A 67 12.484 3.949 -1.363 1.00 0.00 O ATOM 1067 ND2 ASN A 67 11.784 1.826 -1.586 1.00 0.00 N ATOM 0 H ASN A 67 9.553 2.379 1.125 1.00 0.00 H new ATOM 0 HA ASN A 67 11.008 4.769 0.535 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.530 2.628 -0.957 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.766 4.155 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.720 1.494 -1.820 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.005 1.169 -1.548 1.00 0.00 H new ATOM 1074 N THR A 68 7.719 4.854 0.504 1.00 0.00 N ATOM 1075 CA THR A 68 6.568 5.747 0.476 1.00 0.00 C ATOM 1076 C THR A 68 6.601 6.725 1.645 1.00 0.00 C ATOM 1077 O THR A 68 6.509 7.937 1.454 1.00 0.00 O ATOM 1078 CB THR A 68 5.245 4.959 0.518 1.00 0.00 C ATOM 1079 OG1 THR A 68 5.144 4.109 -0.630 1.00 0.00 O ATOM 1080 CG2 THR A 68 4.053 5.904 0.562 1.00 0.00 C ATOM 0 H THR A 68 7.492 3.880 0.703 1.00 0.00 H new ATOM 0 HA THR A 68 6.622 6.303 -0.460 1.00 0.00 H new ATOM 0 HB THR A 68 5.239 4.350 1.422 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.680 3.301 -0.487 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.130 5.325 0.591 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.117 6.529 1.452 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.057 6.536 -0.326 1.00 0.00 H new ATOM 1088 N ARG A 69 6.734 6.190 2.854 1.00 0.00 N ATOM 1089 CA ARG A 69 6.779 7.016 4.054 1.00 0.00 C ATOM 1090 C ARG A 69 7.729 8.196 3.866 1.00 0.00 C ATOM 1091 O ARG A 69 7.393 9.334 4.193 1.00 0.00 O ATOM 1092 CB ARG A 69 7.219 6.181 5.258 1.00 0.00 C ATOM 1093 CG ARG A 69 6.144 5.234 5.767 1.00 0.00 C ATOM 1094 CD ARG A 69 5.370 5.841 6.927 1.00 0.00 C ATOM 1095 NE ARG A 69 4.221 6.619 6.471 1.00 0.00 N ATOM 1096 CZ ARG A 69 3.671 7.600 7.177 1.00 0.00 C ATOM 1097 NH1 ARG A 69 4.163 7.922 8.366 1.00 0.00 N ATOM 1098 NH2 ARG A 69 2.627 8.262 6.695 1.00 0.00 N ATOM 0 H ARG A 69 6.812 5.188 3.028 1.00 0.00 H new ATOM 0 HA ARG A 69 5.776 7.403 4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.102 5.603 4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.514 6.851 6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.457 4.993 4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.603 4.298 6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.029 5.046 7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.033 6.481 7.510 1.00 0.00 H new ATOM 0 HE ARG A 69 3.819 6.397 5.560 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.966 7.416 8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.739 8.676 8.906 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.246 8.018 5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.206 9.015 7.238 1.00 0.00 H new