USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 581 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 180:sc= 0.75 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.393 K(o=1.1,f=1.7) USER MOD Single : A 23 LYS NZ :NH3+ 164:sc= 1.24 (180deg=0.683) USER MOD Single : A 25 LYS NZ :NH3+ -144:sc= -0.0106 (180deg=-0.908) USER MOD Single : A 29 GLN : amide:sc= -3.49! C(o=-3.5!,f=-11!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.64! C(o=-1.6!,f=-8.9!) USER MOD Single : A 37 LYS NZ :NH3+ 149:sc= -0.344 (180deg=-2.8!) USER MOD Single : A 40 MET CE :methyl -146:sc= -2.52! (180deg=-5.07!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -170:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= -1.83! X(o=-1.8!,f=-1.8) USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= 2.34 (180deg=0.7) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= -3 (180deg=-5.54!) USER MOD Single : A 50 SER OG : rot 75:sc= 1.22 USER MOD Single : A 52 CYS SG : rot 56:sc= 1.06 USER MOD Single : A 53 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.21) USER MOD Single : A 55 GLN : amide:sc= -1.71 K(o=-1.7,f=-0.89) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -1.9 X(o=-1.9,f=-1.9) USER MOD Single : A 74 ASN : amide:sc= 0.294 K(o=0.29,f=-5.1!) USER MOD Single : A 75 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-9!) USER MOD Single : A 76 THR OG1 : rot -106:sc= -3.81! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -171:sc= -4.9! (180deg=-5.2!) USER MOD Single : A 91 TYR OH : rot 77:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -10.253 7.816 6.784 1.00 0.00 N ATOM 312 CA ILE A 22 -10.234 7.543 5.371 1.00 0.00 C ATOM 313 C ILE A 22 -10.254 6.043 5.087 1.00 0.00 C ATOM 314 O ILE A 22 -9.604 5.251 5.750 1.00 0.00 O ATOM 315 CB ILE A 22 -9.026 8.246 4.671 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.647 7.557 3.357 1.00 0.00 C ATOM 317 CG2 ILE A 22 -7.826 8.335 5.605 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.594 8.302 2.569 1.00 0.00 C ATOM 0 HA ILE A 22 -11.146 7.962 4.946 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.342 9.260 4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.284 6.552 3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.540 7.448 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.001 8.828 5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.097 8.909 6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.521 7.332 5.902 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.374 7.758 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.962 9.298 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.686 8.388 3.166 1.00 0.00 H new ATOM 330 N LYS A 23 -11.046 5.663 4.123 1.00 0.00 N ATOM 331 CA LYS A 23 -11.177 4.280 3.710 1.00 0.00 C ATOM 332 C LYS A 23 -10.449 4.078 2.391 1.00 0.00 C ATOM 333 O LYS A 23 -10.581 4.883 1.487 1.00 0.00 O ATOM 334 CB LYS A 23 -12.668 3.934 3.569 1.00 0.00 C ATOM 335 CG LYS A 23 -13.525 5.147 3.202 1.00 0.00 C ATOM 336 CD LYS A 23 -14.998 4.805 3.026 1.00 0.00 C ATOM 337 CE LYS A 23 -15.284 4.282 1.632 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.735 4.306 1.316 1.00 0.00 N ATOM 0 H LYS A 23 -11.629 6.308 3.591 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.734 3.620 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.788 3.166 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.028 3.510 4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.424 5.904 3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.147 5.586 2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.290 4.057 3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.604 5.691 3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.744 4.884 0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.910 3.262 1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.868 4.205 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.210 3.521 1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.144 5.209 1.631 1.00 0.00 H new ATOM 352 N LEU A 24 -9.658 3.032 2.282 1.00 0.00 N ATOM 353 CA LEU A 24 -8.919 2.773 1.047 1.00 0.00 C ATOM 354 C LEU A 24 -9.074 1.337 0.589 1.00 0.00 C ATOM 355 O LEU A 24 -9.331 0.435 1.393 1.00 0.00 O ATOM 356 CB LEU A 24 -7.430 3.088 1.227 1.00 0.00 C ATOM 357 CG LEU A 24 -7.066 4.566 1.372 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.576 4.721 1.589 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.506 5.344 0.141 1.00 0.00 C ATOM 0 H LEU A 24 -9.505 2.347 3.022 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.340 3.427 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.072 2.559 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.888 2.684 0.372 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.588 4.969 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.331 5.778 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.283 4.192 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.039 4.304 0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.240 6.394 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.008 4.941 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.586 5.255 0.021 1.00 0.00 H new ATOM 371 N LYS A 25 -8.921 1.115 -0.708 1.00 0.00 N ATOM 372 CA LYS A 25 -8.972 -0.221 -1.250 1.00 0.00 C ATOM 373 C LYS A 25 -7.767 -0.501 -2.114 1.00 0.00 C ATOM 374 O LYS A 25 -7.398 0.295 -2.985 1.00 0.00 O ATOM 375 CB LYS A 25 -10.268 -0.482 -2.037 1.00 0.00 C ATOM 376 CG LYS A 25 -10.266 -1.818 -2.795 1.00 0.00 C ATOM 377 CD LYS A 25 -9.985 -1.653 -4.291 1.00 0.00 C ATOM 378 CE LYS A 25 -11.225 -1.190 -5.040 1.00 0.00 C ATOM 379 NZ LYS A 25 -11.013 -1.127 -6.508 1.00 0.00 N ATOM 0 H LYS A 25 -8.761 1.848 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.962 -0.905 -0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.112 -0.466 -1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.422 0.330 -2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.514 -2.476 -2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.232 -2.306 -2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.181 -0.931 -4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.641 -2.601 -4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.050 -1.869 -4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.519 -0.205 -4.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.536 -0.318 -6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.999 -1.013 -6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.356 -2.006 -6.946 1.00 0.00 H new ATOM 393 N VAL A 26 -7.142 -1.622 -1.870 1.00 0.00 N ATOM 394 CA VAL A 26 -6.025 -2.048 -2.662 1.00 0.00 C ATOM 395 C VAL A 26 -6.511 -3.049 -3.694 1.00 0.00 C ATOM 396 O VAL A 26 -7.230 -3.993 -3.362 1.00 0.00 O ATOM 397 CB VAL A 26 -4.918 -2.684 -1.783 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.799 -3.245 -2.644 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.369 -1.662 -0.803 1.00 0.00 C ATOM 0 H VAL A 26 -7.394 -2.263 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.592 -1.178 -3.156 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.360 -3.506 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.034 -3.686 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.200 -4.009 -3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.359 -2.443 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.593 -2.124 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.946 -0.821 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.173 -1.307 -0.159 1.00 0.00 H new ATOM 409 N ILE A 27 -6.156 -2.834 -4.942 1.00 0.00 N ATOM 410 CA ILE A 27 -6.588 -3.710 -6.009 1.00 0.00 C ATOM 411 C ILE A 27 -5.383 -4.176 -6.827 1.00 0.00 C ATOM 412 O ILE A 27 -4.400 -3.451 -6.978 1.00 0.00 O ATOM 413 CB ILE A 27 -7.641 -3.012 -6.930 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.160 -3.982 -8.002 1.00 0.00 C ATOM 415 CG2 ILE A 27 -7.050 -1.768 -7.573 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.237 -3.398 -8.893 1.00 0.00 C ATOM 0 H ILE A 27 -5.567 -2.057 -5.243 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.068 -4.579 -5.560 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.485 -2.710 -6.310 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.323 -4.302 -8.623 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.552 -4.873 -7.512 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.799 -1.297 -8.210 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.742 -1.068 -6.796 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.185 -2.046 -8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.550 -4.145 -9.623 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.092 -3.104 -8.285 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.844 -2.524 -9.413 1.00 0.00 H new ATOM 428 N GLY A 28 -5.449 -5.389 -7.338 1.00 0.00 N ATOM 429 CA GLY A 28 -4.356 -5.923 -8.118 1.00 0.00 C ATOM 430 C GLY A 28 -4.797 -6.297 -9.513 1.00 0.00 C ATOM 431 O GLY A 28 -5.992 -6.259 -9.823 1.00 0.00 O ATOM 0 H GLY A 28 -6.244 -6.019 -7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.555 -5.186 -8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.947 -6.801 -7.618 1.00 0.00 H new ATOM 435 N GLN A 29 -3.848 -6.676 -10.368 1.00 0.00 N ATOM 436 CA GLN A 29 -4.167 -7.038 -11.757 1.00 0.00 C ATOM 437 C GLN A 29 -5.013 -8.314 -11.850 1.00 0.00 C ATOM 438 O GLN A 29 -5.490 -8.670 -12.921 1.00 0.00 O ATOM 439 CB GLN A 29 -2.902 -7.194 -12.619 1.00 0.00 C ATOM 440 CG GLN A 29 -2.091 -8.457 -12.341 1.00 0.00 C ATOM 441 CD GLN A 29 -1.113 -8.297 -11.202 1.00 0.00 C ATOM 442 OE1 GLN A 29 0.025 -7.897 -11.408 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.534 -8.630 -10.002 1.00 0.00 N ATOM 0 H GLN A 29 -2.858 -6.742 -10.130 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.756 -6.208 -12.148 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.192 -7.189 -13.670 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.262 -6.326 -12.461 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.773 -9.276 -12.113 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.546 -8.737 -13.243 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.490 -8.959 -9.870 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.904 -8.559 -9.203 1.00 0.00 H new ATOM 452 N ASP A 30 -5.198 -9.011 -10.734 1.00 0.00 N ATOM 453 CA ASP A 30 -6.020 -10.224 -10.735 1.00 0.00 C ATOM 454 C ASP A 30 -7.465 -9.881 -10.413 1.00 0.00 C ATOM 455 O ASP A 30 -8.281 -10.763 -10.142 1.00 0.00 O ATOM 456 CB ASP A 30 -5.499 -11.252 -9.721 1.00 0.00 C ATOM 457 CG ASP A 30 -4.098 -11.732 -10.029 1.00 0.00 C ATOM 458 OD1 ASP A 30 -3.947 -12.678 -10.831 1.00 0.00 O ATOM 459 OD2 ASP A 30 -3.138 -11.176 -9.453 1.00 0.00 O ATOM 0 H ASP A 30 -4.798 -8.765 -9.828 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.962 -10.662 -11.731 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.515 -10.811 -8.725 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.174 -12.108 -9.701 1.00 0.00 H new ATOM 464 N SER A 31 -7.777 -8.575 -10.437 1.00 0.00 N ATOM 465 CA SER A 31 -9.121 -8.063 -10.132 1.00 0.00 C ATOM 466 C SER A 31 -9.461 -8.257 -8.653 1.00 0.00 C ATOM 467 O SER A 31 -10.616 -8.120 -8.234 1.00 0.00 O ATOM 468 CB SER A 31 -10.178 -8.724 -11.029 1.00 0.00 C ATOM 469 OG SER A 31 -9.873 -8.527 -12.407 1.00 0.00 O ATOM 0 H SER A 31 -7.103 -7.845 -10.669 1.00 0.00 H new ATOM 0 HA SER A 31 -9.125 -6.993 -10.339 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.228 -9.791 -10.813 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.161 -8.308 -10.807 1.00 0.00 H new ATOM 0 HG SER A 31 -10.559 -8.958 -12.959 1.00 0.00 H new ATOM 475 N SER A 32 -8.446 -8.544 -7.860 1.00 0.00 N ATOM 476 CA SER A 32 -8.612 -8.756 -6.445 1.00 0.00 C ATOM 477 C SER A 32 -8.589 -7.420 -5.717 1.00 0.00 C ATOM 478 O SER A 32 -7.902 -6.492 -6.133 1.00 0.00 O ATOM 479 CB SER A 32 -7.502 -9.665 -5.937 1.00 0.00 C ATOM 480 OG SER A 32 -7.442 -10.853 -6.711 1.00 0.00 O ATOM 0 H SER A 32 -7.484 -8.636 -8.185 1.00 0.00 H new ATOM 0 HA SER A 32 -9.573 -9.234 -6.255 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.546 -9.144 -5.985 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.677 -9.914 -4.890 1.00 0.00 H new ATOM 0 HG SER A 32 -6.723 -11.427 -6.374 1.00 0.00 H new ATOM 486 N GLU A 33 -9.331 -7.324 -4.634 1.00 0.00 N ATOM 487 CA GLU A 33 -9.418 -6.082 -3.904 1.00 0.00 C ATOM 488 C GLU A 33 -9.616 -6.297 -2.419 1.00 0.00 C ATOM 489 O GLU A 33 -10.226 -7.273 -1.986 1.00 0.00 O ATOM 490 CB GLU A 33 -10.534 -5.210 -4.463 1.00 0.00 C ATOM 491 CG GLU A 33 -11.923 -5.802 -4.329 1.00 0.00 C ATOM 492 CD GLU A 33 -12.981 -4.888 -4.884 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.271 -3.853 -4.251 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.532 -5.199 -5.959 1.00 0.00 O ATOM 0 H GLU A 33 -9.880 -8.089 -4.243 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.464 -5.571 -4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.513 -4.246 -3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.335 -5.019 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.961 -6.759 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.132 -6.002 -3.278 1.00 0.00 H new ATOM 501 N ILE A 34 -9.078 -5.380 -1.639 1.00 0.00 N ATOM 502 CA ILE A 34 -9.210 -5.398 -0.196 1.00 0.00 C ATOM 503 C ILE A 34 -9.494 -3.992 0.316 1.00 0.00 C ATOM 504 O ILE A 34 -8.799 -3.038 -0.038 1.00 0.00 O ATOM 505 CB ILE A 34 -7.935 -5.944 0.488 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.683 -5.294 -0.114 1.00 0.00 C ATOM 507 CG2 ILE A 34 -7.870 -7.463 0.381 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.389 -5.757 0.509 1.00 0.00 C ATOM 0 H ILE A 34 -8.532 -4.594 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.039 -6.061 0.051 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.975 -5.687 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.655 -5.505 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.760 -4.212 -0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.965 -7.824 0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.743 -7.900 0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.856 -7.753 -0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.552 -5.251 0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.393 -5.521 1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.286 -6.834 0.377 1.00 0.00 H new ATOM 520 N HIS A 35 -10.525 -3.852 1.121 1.00 0.00 N ATOM 521 CA HIS A 35 -10.908 -2.549 1.663 1.00 0.00 C ATOM 522 C HIS A 35 -10.512 -2.448 3.119 1.00 0.00 C ATOM 523 O HIS A 35 -10.848 -3.316 3.927 1.00 0.00 O ATOM 524 CB HIS A 35 -12.421 -2.315 1.522 1.00 0.00 C ATOM 525 CG HIS A 35 -12.910 -2.230 0.109 1.00 0.00 C ATOM 526 ND1 HIS A 35 -13.721 -1.216 -0.348 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.720 -3.056 -0.942 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.010 -1.423 -1.616 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.414 -2.534 -1.999 1.00 0.00 N ATOM 0 H HIS A 35 -11.121 -4.624 1.421 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.383 -1.783 1.092 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.949 -3.124 2.027 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.682 -1.392 2.039 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.130 -3.961 -0.947 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.629 -0.791 -2.235 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.462 -2.940 -2.934 1.00 0.00 H new ATOM 538 N PHE A 36 -9.804 -1.394 3.470 1.00 0.00 N ATOM 539 CA PHE A 36 -9.364 -1.202 4.839 1.00 0.00 C ATOM 540 C PHE A 36 -9.610 0.219 5.315 1.00 0.00 C ATOM 541 O PHE A 36 -9.587 1.176 4.534 1.00 0.00 O ATOM 542 CB PHE A 36 -7.886 -1.558 5.004 1.00 0.00 C ATOM 543 CG PHE A 36 -7.608 -3.036 5.000 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.744 -3.778 6.162 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.213 -3.682 3.840 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.489 -5.135 6.169 1.00 0.00 C ATOM 547 CE2 PHE A 36 -6.956 -5.039 3.842 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.094 -5.767 5.007 1.00 0.00 C ATOM 0 H PHE A 36 -9.520 -0.656 2.826 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.957 -1.877 5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.318 -1.090 4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.523 -1.133 5.940 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.053 -3.289 7.074 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.105 -3.119 2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.598 -5.701 7.082 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.647 -5.531 2.932 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.893 -6.828 5.009 1.00 0.00 H new ATOM 558 N LYS A 37 -9.856 0.346 6.599 1.00 0.00 N ATOM 559 CA LYS A 37 -10.089 1.631 7.219 1.00 0.00 C ATOM 560 C LYS A 37 -8.776 2.162 7.760 1.00 0.00 C ATOM 561 O LYS A 37 -8.170 1.567 8.656 1.00 0.00 O ATOM 562 CB LYS A 37 -11.127 1.494 8.353 1.00 0.00 C ATOM 563 CG LYS A 37 -11.755 2.816 8.834 1.00 0.00 C ATOM 564 CD LYS A 37 -10.756 3.755 9.530 1.00 0.00 C ATOM 565 CE LYS A 37 -10.424 3.325 10.967 1.00 0.00 C ATOM 566 NZ LYS A 37 -9.643 2.057 11.042 1.00 0.00 N ATOM 0 H LYS A 37 -9.900 -0.442 7.245 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.484 2.329 6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.925 0.834 8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.650 1.007 9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.192 3.333 7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.570 2.592 9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.836 3.793 8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.166 4.765 9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.859 4.120 11.455 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.352 3.205 11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.024 2.079 11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.296 1.251 11.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.063 1.955 10.185 1.00 0.00 H new ATOM 580 N VAL A 38 -8.335 3.274 7.241 1.00 0.00 N ATOM 581 CA VAL A 38 -7.085 3.854 7.659 1.00 0.00 C ATOM 582 C VAL A 38 -7.300 5.251 8.228 1.00 0.00 C ATOM 583 O VAL A 38 -8.392 5.821 8.128 1.00 0.00 O ATOM 584 CB VAL A 38 -6.064 3.899 6.489 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.662 2.490 6.086 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.631 4.647 5.291 1.00 0.00 C ATOM 0 H VAL A 38 -8.827 3.803 6.521 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.673 3.219 8.443 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.180 4.436 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.946 2.537 5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.206 1.984 6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.545 1.937 5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.893 4.662 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.535 4.146 4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.872 5.670 5.581 1.00 0.00 H new ATOM 622 N MET A 40 -5.252 9.222 8.932 1.00 0.00 N ATOM 623 CA MET A 40 -4.651 10.214 8.074 1.00 0.00 C ATOM 624 C MET A 40 -3.182 9.880 7.811 1.00 0.00 C ATOM 625 O MET A 40 -2.698 10.013 6.696 1.00 0.00 O ATOM 626 CB MET A 40 -4.797 11.615 8.686 1.00 0.00 C ATOM 627 CG MET A 40 -4.346 12.767 7.786 1.00 0.00 C ATOM 628 SD MET A 40 -5.559 13.242 6.507 1.00 0.00 S ATOM 629 CE MET A 40 -5.569 11.824 5.404 1.00 0.00 C ATOM 0 HA MET A 40 -5.174 10.207 7.118 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.842 11.771 8.953 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.223 11.652 9.612 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.133 13.636 8.408 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.412 12.487 7.298 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.731 12.161 4.380 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.612 11.306 5.469 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.370 11.144 5.693 1.00 0.00 H new ATOM 639 N THR A 41 -2.488 9.385 8.823 1.00 0.00 N ATOM 640 CA THR A 41 -1.063 9.106 8.702 1.00 0.00 C ATOM 641 C THR A 41 -0.746 7.597 8.769 1.00 0.00 C ATOM 642 O THR A 41 0.349 7.201 9.174 1.00 0.00 O ATOM 643 CB THR A 41 -0.275 9.850 9.804 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.843 9.565 11.095 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.306 11.350 9.565 1.00 0.00 C ATOM 0 H THR A 41 -2.886 9.168 9.737 1.00 0.00 H new ATOM 0 HA THR A 41 -0.755 9.463 7.719 1.00 0.00 H new ATOM 0 HB THR A 41 0.759 9.506 9.774 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.336 10.039 11.787 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.254 11.855 10.352 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.144 11.574 8.598 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.339 11.699 9.574 1.00 0.00 H new ATOM 653 N THR A 42 -1.689 6.755 8.351 1.00 0.00 N ATOM 654 CA THR A 42 -1.476 5.305 8.367 1.00 0.00 C ATOM 655 C THR A 42 -0.433 4.870 7.335 1.00 0.00 C ATOM 656 O THR A 42 -0.492 5.260 6.167 1.00 0.00 O ATOM 657 CB THR A 42 -2.782 4.529 8.077 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.754 4.808 9.076 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.522 3.029 8.039 1.00 0.00 C ATOM 0 H THR A 42 -2.601 7.046 7.999 1.00 0.00 H new ATOM 0 HA THR A 42 -1.121 5.071 9.371 1.00 0.00 H new ATOM 0 HB THR A 42 -3.154 4.851 7.105 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.513 4.197 8.973 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.454 2.503 7.834 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.799 2.805 7.255 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.126 2.704 9.001 1.00 0.00 H new ATOM 667 N HIS A 43 0.530 4.069 7.772 1.00 0.00 N ATOM 668 CA HIS A 43 1.502 3.487 6.863 1.00 0.00 C ATOM 669 C HIS A 43 0.845 2.376 6.071 1.00 0.00 C ATOM 670 O HIS A 43 0.596 1.289 6.592 1.00 0.00 O ATOM 671 CB HIS A 43 2.711 2.933 7.620 1.00 0.00 C ATOM 672 CG HIS A 43 3.704 3.969 8.027 1.00 0.00 C ATOM 673 ND1 HIS A 43 5.048 3.706 8.153 1.00 0.00 N ATOM 674 CD2 HIS A 43 3.547 5.273 8.337 1.00 0.00 C ATOM 675 CE1 HIS A 43 5.674 4.800 8.524 1.00 0.00 C ATOM 676 NE2 HIS A 43 4.787 5.769 8.642 1.00 0.00 N ATOM 0 H HIS A 43 0.657 3.809 8.750 1.00 0.00 H new ATOM 0 HA HIS A 43 1.854 4.269 6.191 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.360 2.412 8.511 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.210 2.193 6.994 1.00 0.00 H new ATOM 0 HD1 HIS A 43 5.490 2.802 7.985 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.617 5.823 8.343 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.735 4.890 8.702 1.00 0.00 H new ATOM 685 N LEU A 44 0.556 2.642 4.811 1.00 0.00 N ATOM 686 CA LEU A 44 -0.125 1.669 3.961 1.00 0.00 C ATOM 687 C LEU A 44 0.743 0.463 3.686 1.00 0.00 C ATOM 688 O LEU A 44 0.258 -0.576 3.252 1.00 0.00 O ATOM 689 CB LEU A 44 -0.564 2.311 2.656 1.00 0.00 C ATOM 690 CG LEU A 44 -1.608 3.409 2.792 1.00 0.00 C ATOM 691 CD1 LEU A 44 -1.942 3.986 1.438 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.861 2.876 3.473 1.00 0.00 C ATOM 0 H LEU A 44 0.780 3.523 4.348 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.008 1.327 4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.314 2.726 2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.961 1.534 2.003 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.195 4.204 3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.690 4.770 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.042 4.405 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.336 3.199 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.596 3.676 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.279 2.063 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.606 2.507 4.466 1.00 0.00 H new ATOM 704 N LYS A 45 2.025 0.603 3.926 1.00 0.00 N ATOM 705 CA LYS A 45 2.966 -0.469 3.768 1.00 0.00 C ATOM 706 C LYS A 45 2.528 -1.699 4.566 1.00 0.00 C ATOM 707 O LYS A 45 2.566 -2.826 4.066 1.00 0.00 O ATOM 708 CB LYS A 45 4.323 0.022 4.229 1.00 0.00 C ATOM 709 CG LYS A 45 5.371 -1.043 4.379 1.00 0.00 C ATOM 710 CD LYS A 45 5.576 -1.820 3.107 1.00 0.00 C ATOM 711 CE LYS A 45 6.991 -2.323 3.022 1.00 0.00 C ATOM 712 NZ LYS A 45 7.497 -2.801 4.338 1.00 0.00 N ATOM 0 H LYS A 45 2.445 1.478 4.240 1.00 0.00 H new ATOM 0 HA LYS A 45 3.018 -0.768 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.683 0.766 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.202 0.528 5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.313 -0.584 4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.081 -1.726 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.882 -2.660 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.356 -1.187 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.043 -3.136 2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.637 -1.526 2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.194 -3.558 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.947 -2.012 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.704 -3.167 4.903 1.00 0.00 H new ATOM 726 N LYS A 46 2.078 -1.473 5.793 1.00 0.00 N ATOM 727 CA LYS A 46 1.615 -2.547 6.658 1.00 0.00 C ATOM 728 C LYS A 46 0.400 -3.249 6.049 1.00 0.00 C ATOM 729 O LYS A 46 0.209 -4.462 6.204 1.00 0.00 O ATOM 730 CB LYS A 46 1.271 -1.994 8.049 1.00 0.00 C ATOM 731 CG LYS A 46 0.625 -3.010 8.973 1.00 0.00 C ATOM 732 CD LYS A 46 1.486 -4.248 9.113 1.00 0.00 C ATOM 733 CE LYS A 46 0.797 -5.304 9.943 1.00 0.00 C ATOM 734 NZ LYS A 46 1.674 -6.473 10.183 1.00 0.00 N ATOM 0 H LYS A 46 2.024 -0.545 6.214 1.00 0.00 H new ATOM 0 HA LYS A 46 2.416 -3.279 6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.182 -1.621 8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.600 -1.143 7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.464 -2.563 9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.355 -3.287 8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.713 -4.649 8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.437 -3.982 9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.493 -4.875 10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.112 -5.629 9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.166 -7.176 10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.943 -6.898 9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.530 -6.167 10.689 1.00 0.00 H new ATOM 748 N LEU A 47 -0.398 -2.497 5.325 1.00 0.00 N ATOM 749 CA LEU A 47 -1.578 -3.033 4.700 1.00 0.00 C ATOM 750 C LEU A 47 -1.147 -3.932 3.546 1.00 0.00 C ATOM 751 O LEU A 47 -1.627 -5.058 3.392 1.00 0.00 O ATOM 752 CB LEU A 47 -2.473 -1.875 4.198 1.00 0.00 C ATOM 753 CG LEU A 47 -3.899 -2.227 3.733 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.705 -0.958 3.509 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.883 -3.057 2.455 1.00 0.00 C ATOM 0 H LEU A 47 -0.246 -1.503 5.156 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.157 -3.619 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.552 -1.140 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.959 -1.388 3.369 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.365 -2.822 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.711 -1.219 3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.762 -0.394 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.221 -0.349 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.906 -3.286 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.392 -2.494 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.340 -3.985 2.631 1.00 0.00 H new ATOM 767 N LYS A 48 -0.212 -3.436 2.744 1.00 0.00 N ATOM 768 CA LYS A 48 0.291 -4.179 1.604 1.00 0.00 C ATOM 769 C LYS A 48 0.974 -5.464 2.046 1.00 0.00 C ATOM 770 O LYS A 48 0.757 -6.517 1.458 1.00 0.00 O ATOM 771 CB LYS A 48 1.239 -3.329 0.753 1.00 0.00 C ATOM 772 CG LYS A 48 0.534 -2.385 -0.224 1.00 0.00 C ATOM 773 CD LYS A 48 -0.306 -1.348 0.492 1.00 0.00 C ATOM 774 CE LYS A 48 -0.920 -0.357 -0.474 1.00 0.00 C ATOM 775 NZ LYS A 48 0.112 0.352 -1.269 1.00 0.00 N ATOM 0 H LYS A 48 0.213 -2.517 2.867 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.566 -4.443 0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.873 -2.740 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.896 -3.992 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.278 -1.884 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.100 -2.965 -0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.097 -1.845 1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.312 -0.816 1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.601 -0.879 -1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.514 0.370 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.136 1.359 -1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.037 0.255 -0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.160 -0.061 -2.222 1.00 0.00 H new ATOM 789 N GLU A 49 1.826 -5.379 3.071 1.00 0.00 N ATOM 790 CA GLU A 49 2.466 -6.569 3.632 1.00 0.00 C ATOM 791 C GLU A 49 1.431 -7.620 4.011 1.00 0.00 C ATOM 792 O GLU A 49 1.609 -8.807 3.739 1.00 0.00 O ATOM 793 CB GLU A 49 3.314 -6.205 4.848 1.00 0.00 C ATOM 794 CG GLU A 49 4.569 -5.426 4.510 1.00 0.00 C ATOM 795 CD GLU A 49 5.370 -5.063 5.737 1.00 0.00 C ATOM 796 OE1 GLU A 49 5.764 -5.977 6.488 1.00 0.00 O ATOM 797 OE2 GLU A 49 5.608 -3.869 5.960 1.00 0.00 O ATOM 0 H GLU A 49 2.087 -4.504 3.526 1.00 0.00 H new ATOM 0 HA GLU A 49 3.117 -6.988 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.708 -5.618 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.595 -7.120 5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.190 -6.017 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.296 -4.516 3.976 1.00 0.00 H new ATOM 804 N SER A 50 0.336 -7.182 4.625 1.00 0.00 N ATOM 805 CA SER A 50 -0.742 -8.085 5.000 1.00 0.00 C ATOM 806 C SER A 50 -1.344 -8.742 3.754 1.00 0.00 C ATOM 807 O SER A 50 -1.609 -9.946 3.734 1.00 0.00 O ATOM 808 CB SER A 50 -1.809 -7.327 5.790 1.00 0.00 C ATOM 809 OG SER A 50 -1.231 -6.687 6.927 1.00 0.00 O ATOM 0 H SER A 50 0.174 -6.206 4.873 1.00 0.00 H new ATOM 0 HA SER A 50 -0.340 -8.874 5.636 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.284 -6.584 5.150 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.590 -8.016 6.112 1.00 0.00 H new ATOM 0 HG SER A 50 -0.724 -5.900 6.637 1.00 0.00 H new ATOM 815 N TYR A 51 -1.532 -7.950 2.701 1.00 0.00 N ATOM 816 CA TYR A 51 -2.029 -8.456 1.427 1.00 0.00 C ATOM 817 C TYR A 51 -1.061 -9.482 0.849 1.00 0.00 C ATOM 818 O TYR A 51 -1.476 -10.504 0.307 1.00 0.00 O ATOM 819 CB TYR A 51 -2.253 -7.285 0.439 1.00 0.00 C ATOM 820 CG TYR A 51 -1.807 -7.563 -0.984 1.00 0.00 C ATOM 821 CD1 TYR A 51 -2.599 -8.296 -1.863 1.00 0.00 C ATOM 822 CD2 TYR A 51 -0.582 -7.102 -1.439 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.173 -8.558 -3.154 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.150 -7.363 -2.719 1.00 0.00 C ATOM 825 CZ TYR A 51 -0.944 -8.089 -3.573 1.00 0.00 C ATOM 826 OH TYR A 51 -0.496 -8.357 -4.847 1.00 0.00 O ATOM 0 H TYR A 51 -1.345 -6.947 2.707 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.986 -8.951 1.592 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.313 -7.032 0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.720 -6.409 0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.559 -8.665 -1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.046 -6.526 -0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.798 -9.125 -3.828 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.811 -6.998 -3.051 1.00 0.00 H new ATOM 0 HH TYR A 51 0.387 -7.952 -4.975 1.00 0.00 H new ATOM 836 N CYS A 52 0.232 -9.229 0.976 1.00 0.00 N ATOM 837 CA CYS A 52 1.227 -10.143 0.448 1.00 0.00 C ATOM 838 C CYS A 52 1.228 -11.442 1.239 1.00 0.00 C ATOM 839 O CYS A 52 1.394 -12.514 0.685 1.00 0.00 O ATOM 840 CB CYS A 52 2.619 -9.511 0.476 1.00 0.00 C ATOM 841 SG CYS A 52 2.711 -7.891 -0.314 1.00 0.00 S ATOM 0 H CYS A 52 0.613 -8.403 1.437 1.00 0.00 H new ATOM 0 HA CYS A 52 0.968 -10.360 -0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.942 -9.416 1.513 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.321 -10.184 -0.017 1.00 0.00 H new ATOM 0 HG CYS A 52 1.837 -7.094 0.226 1.00 0.00 H new ATOM 847 N GLN A 53 1.023 -11.343 2.544 1.00 0.00 N ATOM 848 CA GLN A 53 0.993 -12.518 3.403 1.00 0.00 C ATOM 849 C GLN A 53 -0.261 -13.334 3.169 1.00 0.00 C ATOM 850 O GLN A 53 -0.213 -14.559 3.099 1.00 0.00 O ATOM 851 CB GLN A 53 1.103 -12.123 4.873 1.00 0.00 C ATOM 852 CG GLN A 53 2.422 -11.461 5.229 1.00 0.00 C ATOM 853 CD GLN A 53 3.611 -12.338 4.903 1.00 0.00 C ATOM 854 OE1 GLN A 53 4.056 -13.130 5.730 1.00 0.00 O ATOM 855 NE2 GLN A 53 4.131 -12.206 3.698 1.00 0.00 N ATOM 0 H GLN A 53 0.875 -10.460 3.032 1.00 0.00 H new ATOM 0 HA GLN A 53 1.854 -13.135 3.147 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.287 -11.444 5.120 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.975 -13.012 5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.510 -10.518 4.689 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.431 -11.222 6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.731 -11.536 3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.933 -12.774 3.424 1.00 0.00 H new ATOM 864 N ARG A 54 -1.388 -12.653 3.038 1.00 0.00 N ATOM 865 CA ARG A 54 -2.665 -13.312 2.782 1.00 0.00 C ATOM 866 C ARG A 54 -2.623 -14.041 1.442 1.00 0.00 C ATOM 867 O ARG A 54 -3.080 -15.175 1.308 1.00 0.00 O ATOM 868 CB ARG A 54 -3.788 -12.272 2.765 1.00 0.00 C ATOM 869 CG ARG A 54 -5.180 -12.863 2.642 1.00 0.00 C ATOM 870 CD ARG A 54 -6.223 -11.779 2.416 1.00 0.00 C ATOM 871 NE ARG A 54 -7.572 -12.244 2.722 1.00 0.00 N ATOM 872 CZ ARG A 54 -8.671 -11.937 2.029 1.00 0.00 C ATOM 873 NH1 ARG A 54 -8.588 -11.239 0.896 1.00 0.00 N ATOM 874 NH2 ARG A 54 -9.853 -12.352 2.464 1.00 0.00 N ATOM 0 H ARG A 54 -1.447 -11.637 3.105 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.852 -14.037 3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.735 -11.682 3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.621 -11.587 1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.204 -13.572 1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.422 -13.420 3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.988 -10.915 3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.181 -11.446 1.379 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.684 -12.854 3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.678 -10.934 0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.434 -11.010 0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.917 -12.901 3.321 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.698 -12.122 1.941 1.00 0.00 H new ATOM 888 N GLN A 55 -2.041 -13.386 0.453 1.00 0.00 N ATOM 889 CA GLN A 55 -1.961 -13.930 -0.898 1.00 0.00 C ATOM 890 C GLN A 55 -0.748 -14.831 -1.050 1.00 0.00 C ATOM 891 O GLN A 55 -0.565 -15.483 -2.080 1.00 0.00 O ATOM 892 CB GLN A 55 -1.917 -12.789 -1.922 1.00 0.00 C ATOM 893 CG GLN A 55 -3.284 -12.193 -2.277 1.00 0.00 C ATOM 894 CD GLN A 55 -4.223 -12.060 -1.094 1.00 0.00 C ATOM 895 OE1 GLN A 55 -4.983 -12.971 -0.785 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.172 -10.930 -0.427 1.00 0.00 N ATOM 0 H GLN A 55 -1.612 -12.467 0.559 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.851 -14.533 -1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.280 -11.995 -1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.448 -13.156 -2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.136 -11.209 -2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.756 -12.818 -3.035 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.526 -10.196 -0.716 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.779 -10.786 0.380 1.00 0.00 H new ATOM 905 N GLY A 56 0.072 -14.863 -0.013 1.00 0.00 N ATOM 906 CA GLY A 56 1.273 -15.675 -0.014 1.00 0.00 C ATOM 907 C GLY A 56 2.196 -15.323 -1.158 1.00 0.00 C ATOM 908 O GLY A 56 2.680 -16.197 -1.876 1.00 0.00 O ATOM 0 H GLY A 56 -0.075 -14.331 0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.800 -15.543 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.998 -16.728 -0.081 1.00 0.00 H new ATOM 912 N VAL A 57 2.420 -14.042 -1.354 1.00 0.00 N ATOM 913 CA VAL A 57 3.289 -13.583 -2.418 1.00 0.00 C ATOM 914 C VAL A 57 4.507 -12.850 -1.889 1.00 0.00 C ATOM 915 O VAL A 57 4.412 -12.053 -0.953 1.00 0.00 O ATOM 916 CB VAL A 57 2.564 -12.678 -3.441 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.801 -13.514 -4.449 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.637 -11.700 -2.742 1.00 0.00 C ATOM 0 H VAL A 57 2.012 -13.297 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 57 3.610 -14.491 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 57 3.319 -12.102 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.298 -12.858 -5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.495 -14.163 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.060 -14.123 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.140 -11.076 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.889 -12.251 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.215 -11.070 -2.067 1.00 0.00 H new ATOM 928 N PRO A 58 5.670 -13.140 -2.485 1.00 0.00 N ATOM 929 CA PRO A 58 6.936 -12.479 -2.158 1.00 0.00 C ATOM 930 C PRO A 58 6.832 -10.958 -2.302 1.00 0.00 C ATOM 931 O PRO A 58 6.440 -10.445 -3.357 1.00 0.00 O ATOM 932 CB PRO A 58 7.919 -13.043 -3.204 1.00 0.00 C ATOM 933 CG PRO A 58 7.061 -13.721 -4.227 1.00 0.00 C ATOM 934 CD PRO A 58 5.837 -14.158 -3.522 1.00 0.00 C ATOM 0 HA PRO A 58 7.241 -12.662 -1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.514 -12.248 -3.654 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.618 -13.745 -2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.817 -13.040 -5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.581 -14.572 -4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.978 -14.196 -4.192 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.952 -15.154 -3.094 1.00 0.00 H new ATOM 942 N MET A 59 7.204 -10.232 -1.254 1.00 0.00 N ATOM 943 CA MET A 59 7.103 -8.772 -1.249 1.00 0.00 C ATOM 944 C MET A 59 8.049 -8.135 -2.273 1.00 0.00 C ATOM 945 O MET A 59 7.788 -7.059 -2.797 1.00 0.00 O ATOM 946 CB MET A 59 7.404 -8.213 0.147 1.00 0.00 C ATOM 947 CG MET A 59 8.816 -8.498 0.626 1.00 0.00 C ATOM 948 SD MET A 59 9.205 -7.700 2.187 1.00 0.00 S ATOM 949 CE MET A 59 10.890 -8.262 2.408 1.00 0.00 C ATOM 0 H MET A 59 7.580 -10.629 -0.393 1.00 0.00 H new ATOM 0 HA MET A 59 6.079 -8.520 -1.526 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.243 -7.135 0.140 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.696 -8.637 0.859 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.947 -9.575 0.733 1.00 0.00 H new ATOM 0 HG3 MET A 59 9.525 -8.165 -0.132 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.290 -7.857 3.337 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.908 -9.351 2.450 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.500 -7.921 1.571 1.00 0.00 H new ATOM 959 N ASN A 60 9.149 -8.804 -2.552 1.00 0.00 N ATOM 960 CA ASN A 60 10.151 -8.279 -3.479 1.00 0.00 C ATOM 961 C ASN A 60 9.735 -8.523 -4.911 1.00 0.00 C ATOM 962 O ASN A 60 10.330 -8.002 -5.847 1.00 0.00 O ATOM 963 CB ASN A 60 11.533 -8.906 -3.209 1.00 0.00 C ATOM 964 CG ASN A 60 11.600 -10.387 -3.569 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.895 -10.750 -4.709 1.00 0.00 O ATOM 966 ND2 ASN A 60 11.348 -11.246 -2.597 1.00 0.00 N ATOM 0 H ASN A 60 9.379 -9.714 -2.153 1.00 0.00 H new ATOM 0 HA ASN A 60 10.225 -7.203 -3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.288 -8.365 -3.779 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.781 -8.783 -2.155 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.394 -12.249 -2.778 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.107 -10.906 -1.666 1.00 0.00 H new ATOM 973 N SER A 61 8.708 -9.313 -5.076 1.00 0.00 N ATOM 974 CA SER A 61 8.220 -9.675 -6.376 1.00 0.00 C ATOM 975 C SER A 61 7.013 -8.846 -6.795 1.00 0.00 C ATOM 976 O SER A 61 6.659 -8.786 -7.970 1.00 0.00 O ATOM 977 CB SER A 61 7.855 -11.129 -6.347 1.00 0.00 C ATOM 978 OG SER A 61 9.012 -11.945 -6.332 1.00 0.00 O ATOM 0 H SER A 61 8.184 -9.726 -4.305 1.00 0.00 H new ATOM 0 HA SER A 61 9.004 -9.480 -7.108 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.248 -11.337 -5.466 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.246 -11.372 -7.218 1.00 0.00 H new ATOM 0 HG SER A 61 8.747 -12.888 -6.311 1.00 0.00 H new ATOM 984 N LEU A 62 6.372 -8.217 -5.854 1.00 0.00 N ATOM 985 CA LEU A 62 5.202 -7.450 -6.168 1.00 0.00 C ATOM 986 C LEU A 62 5.460 -5.945 -5.966 1.00 0.00 C ATOM 987 O LEU A 62 6.372 -5.549 -5.244 1.00 0.00 O ATOM 988 CB LEU A 62 3.976 -8.012 -5.384 1.00 0.00 C ATOM 989 CG LEU A 62 3.542 -7.341 -4.071 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.708 -7.114 -3.138 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.786 -6.064 -4.353 1.00 0.00 C ATOM 0 H LEU A 62 6.637 -8.219 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 62 4.957 -7.552 -7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.120 -7.992 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.183 -9.059 -5.162 1.00 0.00 H new ATOM 0 HG LEU A 62 2.866 -8.023 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.355 -6.638 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.170 -8.070 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.442 -6.470 -3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.487 -5.603 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.426 -5.377 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.899 -6.290 -4.945 1.00 0.00 H new ATOM 1003 N ARG A 63 4.671 -5.121 -6.621 1.00 0.00 N ATOM 1004 CA ARG A 63 4.848 -3.680 -6.560 1.00 0.00 C ATOM 1005 C ARG A 63 3.537 -2.959 -6.258 1.00 0.00 C ATOM 1006 O ARG A 63 2.477 -3.316 -6.783 1.00 0.00 O ATOM 1007 CB ARG A 63 5.415 -3.177 -7.881 1.00 0.00 C ATOM 1008 CG ARG A 63 4.502 -3.441 -9.062 1.00 0.00 C ATOM 1009 CD ARG A 63 5.105 -2.951 -10.350 1.00 0.00 C ATOM 1010 NE ARG A 63 6.267 -3.746 -10.751 1.00 0.00 N ATOM 1011 CZ ARG A 63 6.996 -3.516 -11.845 1.00 0.00 C ATOM 1012 NH1 ARG A 63 6.705 -2.498 -12.644 1.00 0.00 N ATOM 1013 NH2 ARG A 63 8.017 -4.302 -12.139 1.00 0.00 N ATOM 0 H ARG A 63 3.894 -5.424 -7.207 1.00 0.00 H new ATOM 0 HA ARG A 63 5.542 -3.464 -5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.600 -2.105 -7.805 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.378 -3.654 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.303 -4.510 -9.137 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.543 -2.949 -8.898 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.353 -2.986 -11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.401 -1.908 -10.238 1.00 0.00 H new ATOM 0 HE ARG A 63 6.538 -4.528 -10.154 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.920 -1.885 -12.424 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.266 -2.328 -13.478 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.249 -5.086 -11.529 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.573 -4.125 -12.976 1.00 0.00 H new ATOM 1027 N PHE A 64 3.602 -1.961 -5.393 1.00 0.00 N ATOM 1028 CA PHE A 64 2.438 -1.147 -5.067 1.00 0.00 C ATOM 1029 C PHE A 64 2.670 0.294 -5.454 1.00 0.00 C ATOM 1030 O PHE A 64 3.514 0.974 -4.876 1.00 0.00 O ATOM 1031 CB PHE A 64 2.102 -1.216 -3.569 1.00 0.00 C ATOM 1032 CG PHE A 64 3.071 -2.016 -2.748 1.00 0.00 C ATOM 1033 CD1 PHE A 64 4.216 -1.435 -2.223 1.00 0.00 C ATOM 1034 CD2 PHE A 64 2.830 -3.345 -2.500 1.00 0.00 C ATOM 1035 CE1 PHE A 64 5.100 -2.182 -1.466 1.00 0.00 C ATOM 1036 CE2 PHE A 64 3.701 -4.098 -1.749 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.842 -3.519 -1.228 1.00 0.00 C ATOM 0 H PHE A 64 4.453 -1.692 -4.900 1.00 0.00 H new ATOM 0 HA PHE A 64 1.598 -1.549 -5.634 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.061 -0.202 -3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.107 -1.645 -3.453 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.419 -0.390 -2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.940 -3.807 -2.902 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.990 -1.722 -1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.493 -5.142 -1.566 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.529 -4.108 -0.638 1.00 0.00 H new ATOM 1047 N LEU A 65 1.928 0.768 -6.420 1.00 0.00 N ATOM 1048 CA LEU A 65 2.060 2.135 -6.865 1.00 0.00 C ATOM 1049 C LEU A 65 0.714 2.832 -6.988 1.00 0.00 C ATOM 1050 O LEU A 65 -0.337 2.195 -7.059 1.00 0.00 O ATOM 1051 CB LEU A 65 2.857 2.207 -8.186 1.00 0.00 C ATOM 1052 CG LEU A 65 2.562 1.120 -9.234 1.00 0.00 C ATOM 1053 CD1 LEU A 65 1.159 1.254 -9.792 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.586 1.175 -10.351 1.00 0.00 C ATOM 0 H LEU A 65 1.222 0.226 -6.918 1.00 0.00 H new ATOM 0 HA LEU A 65 2.621 2.673 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.670 3.179 -8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.919 2.167 -7.945 1.00 0.00 H new ATOM 0 HG LEU A 65 2.630 0.151 -8.740 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.984 0.470 -10.529 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.435 1.159 -8.983 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.047 2.229 -10.266 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.365 0.400 -11.085 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.548 2.152 -10.832 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.582 1.012 -9.940 1.00 0.00 H new ATOM 1066 N PHE A 66 0.750 4.141 -6.973 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.433 4.950 -7.131 1.00 0.00 C ATOM 1068 C PHE A 66 -0.091 6.179 -7.937 1.00 0.00 C ATOM 1069 O PHE A 66 0.820 6.917 -7.588 1.00 0.00 O ATOM 1070 CB PHE A 66 -1.013 5.348 -5.771 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.168 6.299 -5.869 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.352 5.904 -6.458 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -2.064 7.591 -5.376 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.416 6.773 -6.554 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -3.125 8.467 -5.469 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.306 8.057 -6.059 1.00 0.00 C ATOM 0 H PHE A 66 1.608 4.679 -6.850 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.190 4.368 -7.656 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.336 4.449 -5.246 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.227 5.804 -5.169 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.445 4.901 -6.848 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.143 7.914 -4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.337 6.450 -7.017 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.033 9.471 -5.082 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.140 8.739 -6.132 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.808 6.387 -9.030 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.586 7.513 -9.938 1.00 0.00 C ATOM 1088 C GLU A 67 0.870 7.607 -10.410 1.00 0.00 C ATOM 1089 O GLU A 67 1.352 8.673 -10.793 1.00 0.00 O ATOM 1090 CB GLU A 67 -1.053 8.822 -9.302 1.00 0.00 C ATOM 1091 CG GLU A 67 -2.540 8.832 -8.966 1.00 0.00 C ATOM 1092 CD GLU A 67 -3.413 8.416 -10.140 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -3.768 9.286 -10.959 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -3.748 7.210 -10.249 1.00 0.00 O ATOM 0 H GLU A 67 -1.571 5.774 -9.319 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.188 7.332 -10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.481 9.000 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.836 9.646 -9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.723 8.160 -8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.828 9.832 -8.642 1.00 0.00 H new ATOM 1101 N GLY A 68 1.562 6.477 -10.398 1.00 0.00 N ATOM 1102 CA GLY A 68 2.915 6.425 -10.898 1.00 0.00 C ATOM 1103 C GLY A 68 3.969 6.567 -9.818 1.00 0.00 C ATOM 1104 O GLY A 68 5.148 6.767 -10.114 1.00 0.00 O ATOM 0 H GLY A 68 1.204 5.589 -10.047 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.065 5.479 -11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.052 7.218 -11.634 1.00 0.00 H new ATOM 1108 N GLN A 69 3.568 6.459 -8.566 1.00 0.00 N ATOM 1109 CA GLN A 69 4.514 6.557 -7.470 1.00 0.00 C ATOM 1110 C GLN A 69 4.432 5.319 -6.599 1.00 0.00 C ATOM 1111 O GLN A 69 3.342 4.847 -6.262 1.00 0.00 O ATOM 1112 CB GLN A 69 4.248 7.815 -6.646 1.00 0.00 C ATOM 1113 CG GLN A 69 3.019 7.732 -5.771 1.00 0.00 C ATOM 1114 CD GLN A 69 2.597 9.077 -5.242 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.426 9.948 -4.981 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.302 9.265 -5.108 1.00 0.00 N ATOM 0 H GLN A 69 2.600 6.304 -8.283 1.00 0.00 H new ATOM 0 HA GLN A 69 5.521 6.626 -7.881 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.116 8.014 -6.017 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.143 8.663 -7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.199 7.296 -6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.217 7.062 -4.935 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.651 8.514 -5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.949 10.162 -4.776 1.00 0.00 H new ATOM 1125 N ARG A 70 5.572 4.772 -6.258 1.00 0.00 N ATOM 1126 CA ARG A 70 5.623 3.593 -5.420 1.00 0.00 C ATOM 1127 C ARG A 70 5.248 3.926 -3.987 1.00 0.00 C ATOM 1128 O ARG A 70 5.643 4.963 -3.439 1.00 0.00 O ATOM 1129 CB ARG A 70 7.008 2.947 -5.476 1.00 0.00 C ATOM 1130 CG ARG A 70 8.133 3.824 -4.941 1.00 0.00 C ATOM 1131 CD ARG A 70 9.485 3.237 -5.288 1.00 0.00 C ATOM 1132 NE ARG A 70 9.656 3.125 -6.737 1.00 0.00 N ATOM 1133 CZ ARG A 70 9.987 2.004 -7.377 1.00 0.00 C ATOM 1134 NH1 ARG A 70 10.192 0.876 -6.697 1.00 0.00 N ATOM 1135 NH2 ARG A 70 10.096 2.004 -8.702 1.00 0.00 N ATOM 0 H ARG A 70 6.484 5.125 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 70 4.895 2.879 -5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.986 2.018 -4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.230 2.682 -6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.049 4.827 -5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.041 3.922 -3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.274 3.864 -4.873 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.586 2.253 -4.830 1.00 0.00 H new ATOM 0 HE ARG A 70 9.512 3.965 -7.297 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.096 0.868 -5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.445 0.021 -7.192 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.926 2.861 -9.228 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.349 1.147 -9.193 1.00 0.00 H new ATOM 1149 N ILE A 71 4.454 3.079 -3.383 1.00 0.00 N ATOM 1150 CA ILE A 71 4.064 3.280 -2.020 1.00 0.00 C ATOM 1151 C ILE A 71 5.159 2.778 -1.094 1.00 0.00 C ATOM 1152 O ILE A 71 5.297 1.577 -0.861 1.00 0.00 O ATOM 1153 CB ILE A 71 2.731 2.567 -1.687 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.730 2.707 -2.851 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.136 3.147 -0.411 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.373 4.134 -3.206 1.00 0.00 C ATOM 0 H ILE A 71 4.066 2.242 -3.819 1.00 0.00 H new ATOM 0 HA ILE A 71 3.913 4.349 -1.874 1.00 0.00 H new ATOM 0 HB ILE A 71 2.934 1.507 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.148 2.221 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.816 2.171 -2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.198 2.640 -0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.835 3.005 0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.949 4.212 -0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.664 4.137 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.923 4.622 -2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.274 4.673 -3.498 1.00 0.00 H new ATOM 1168 N ALA A 72 5.958 3.707 -0.594 1.00 0.00 N ATOM 1169 CA ALA A 72 7.063 3.394 0.293 1.00 0.00 C ATOM 1170 C ALA A 72 6.580 2.860 1.631 1.00 0.00 C ATOM 1171 O ALA A 72 5.376 2.843 1.920 1.00 0.00 O ATOM 1172 CB ALA A 72 7.914 4.628 0.503 1.00 0.00 C ATOM 0 H ALA A 72 5.857 4.702 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 72 7.659 2.611 -0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.743 4.389 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.306 4.967 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.307 5.417 0.947 1.00 0.00 H new ATOM 1178 N ASP A 73 7.525 2.467 2.472 1.00 0.00 N ATOM 1179 CA ASP A 73 7.213 1.900 3.778 1.00 0.00 C ATOM 1180 C ASP A 73 6.697 2.974 4.712 1.00 0.00 C ATOM 1181 O ASP A 73 5.986 2.704 5.671 1.00 0.00 O ATOM 1182 CB ASP A 73 8.451 1.213 4.373 1.00 0.00 C ATOM 1183 CG ASP A 73 8.211 0.601 5.746 1.00 0.00 C ATOM 1184 OD1 ASP A 73 8.288 1.330 6.755 1.00 0.00 O ATOM 1185 OD2 ASP A 73 7.959 -0.618 5.823 1.00 0.00 O ATOM 0 H ASP A 73 8.523 2.531 2.272 1.00 0.00 H new ATOM 0 HA ASP A 73 6.431 1.151 3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.785 0.432 3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.260 1.940 4.446 1.00 0.00 H new ATOM 1190 N ASN A 74 7.007 4.209 4.393 1.00 0.00 N ATOM 1191 CA ASN A 74 6.623 5.332 5.215 1.00 0.00 C ATOM 1192 C ASN A 74 5.599 6.192 4.488 1.00 0.00 C ATOM 1193 O ASN A 74 5.314 7.316 4.894 1.00 0.00 O ATOM 1194 CB ASN A 74 7.862 6.170 5.567 1.00 0.00 C ATOM 1195 CG ASN A 74 8.547 6.765 4.339 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.449 6.234 3.230 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.253 7.853 4.529 1.00 0.00 N ATOM 0 H ASN A 74 7.532 4.463 3.556 1.00 0.00 H new ATOM 0 HA ASN A 74 6.174 4.958 6.135 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.570 6.976 6.240 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.574 5.546 6.107 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.743 8.286 3.746 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.313 8.266 5.460 1.00 0.00 H new ATOM 1204 N HIS A 75 5.033 5.663 3.403 1.00 0.00 N ATOM 1205 CA HIS A 75 4.047 6.415 2.642 1.00 0.00 C ATOM 1206 C HIS A 75 2.670 6.292 3.262 1.00 0.00 C ATOM 1207 O HIS A 75 2.257 5.211 3.702 1.00 0.00 O ATOM 1208 CB HIS A 75 4.017 5.987 1.177 1.00 0.00 C ATOM 1209 CG HIS A 75 4.779 6.908 0.275 1.00 0.00 C ATOM 1210 ND1 HIS A 75 4.914 6.704 -1.085 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.426 8.065 0.538 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.604 7.698 -1.606 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.925 8.535 -0.646 1.00 0.00 N ATOM 0 H HIS A 75 5.238 4.732 3.039 1.00 0.00 H new ATOM 0 HA HIS A 75 4.346 7.463 2.675 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.430 4.982 1.091 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.981 5.936 0.842 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.530 8.533 1.506 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.863 7.807 -2.649 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.460 9.396 -0.764 1.00 0.00 H new ATOM 1222 N THR A 76 1.953 7.396 3.288 1.00 0.00 N ATOM 1223 CA THR A 76 0.644 7.465 3.905 1.00 0.00 C ATOM 1224 C THR A 76 -0.359 8.097 2.948 1.00 0.00 C ATOM 1225 O THR A 76 0.035 8.714 1.952 1.00 0.00 O ATOM 1226 CB THR A 76 0.723 8.350 5.163 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.125 9.666 4.783 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.737 7.809 6.132 1.00 0.00 C ATOM 0 H THR A 76 2.264 8.277 2.879 1.00 0.00 H new ATOM 0 HA THR A 76 0.326 6.454 4.160 1.00 0.00 H new ATOM 0 HB THR A 76 -0.258 8.364 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.057 9.813 5.049 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.776 8.450 7.013 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.453 6.799 6.430 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.718 7.785 5.657 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.672 7.956 3.225 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.709 8.597 2.421 1.00 0.00 C ATOM 1238 C PRO A 77 -2.582 10.117 2.449 1.00 0.00 C ATOM 1239 O PRO A 77 -2.896 10.800 1.470 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.022 8.158 3.085 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.636 7.677 4.442 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.247 7.137 4.309 1.00 0.00 C ATOM 0 HA PRO A 77 -2.644 8.312 1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.727 8.987 3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.508 7.369 2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.671 8.489 5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.322 6.906 4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.683 7.242 5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.249 6.077 4.056 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.100 10.649 3.569 1.00 0.00 N ATOM 1251 CA LYS A 78 -1.924 12.082 3.721 1.00 0.00 C ATOM 1252 C LYS A 78 -0.719 12.556 2.925 1.00 0.00 C ATOM 1253 O LYS A 78 -0.710 13.658 2.389 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.789 12.461 5.214 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.496 11.998 5.888 1.00 0.00 C ATOM 1256 CD LYS A 78 0.582 13.071 5.865 1.00 0.00 C ATOM 1257 CE LYS A 78 1.913 12.526 6.360 1.00 0.00 C ATOM 1258 NZ LYS A 78 2.986 13.551 6.321 1.00 0.00 N ATOM 0 H LYS A 78 -1.825 10.103 4.385 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.808 12.583 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.860 13.545 5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.635 12.039 5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.707 11.719 6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.127 11.104 5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.697 13.452 4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.276 13.911 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.798 12.161 7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.205 11.673 5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.875 13.136 6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.115 13.881 5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.721 14.355 6.926 1.00 0.00 H new ATOM 1272 N GLU A 79 0.298 11.697 2.823 1.00 0.00 N ATOM 1273 CA GLU A 79 1.508 12.034 2.096 1.00 0.00 C ATOM 1274 C GLU A 79 1.196 12.074 0.631 1.00 0.00 C ATOM 1275 O GLU A 79 1.430 13.063 -0.061 1.00 0.00 O ATOM 1276 CB GLU A 79 2.586 10.972 2.348 1.00 0.00 C ATOM 1277 CG GLU A 79 4.016 11.412 2.034 1.00 0.00 C ATOM 1278 CD GLU A 79 4.263 11.731 0.575 1.00 0.00 C ATOM 1279 OE1 GLU A 79 4.365 10.794 -0.235 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.374 12.923 0.237 1.00 0.00 O ATOM 0 H GLU A 79 0.300 10.765 3.237 1.00 0.00 H new ATOM 0 HA GLU A 79 1.874 13.004 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.537 10.668 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.354 10.091 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.252 12.293 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.702 10.624 2.343 1.00 0.00 H new ATOM 1287 N LEU A 80 0.627 10.992 0.171 1.00 0.00 N ATOM 1288 CA LEU A 80 0.332 10.805 -1.218 1.00 0.00 C ATOM 1289 C LEU A 80 -0.831 11.689 -1.681 1.00 0.00 C ATOM 1290 O LEU A 80 -1.111 11.784 -2.873 1.00 0.00 O ATOM 1291 CB LEU A 80 0.028 9.338 -1.465 1.00 0.00 C ATOM 1292 CG LEU A 80 1.141 8.382 -1.043 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.652 6.954 -1.041 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.337 8.533 -1.957 1.00 0.00 C ATOM 0 H LEU A 80 0.353 10.207 0.762 1.00 0.00 H new ATOM 0 HA LEU A 80 1.203 11.104 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.884 9.074 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.173 9.195 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 80 1.444 8.636 -0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.463 6.292 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.179 6.855 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.318 6.682 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.123 7.845 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.043 8.306 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.708 9.556 -1.904 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.517 12.320 -0.736 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.609 13.216 -1.078 1.00 0.00 C ATOM 1308 C GLY A 81 -3.800 12.491 -1.670 1.00 0.00 C ATOM 1309 O GLY A 81 -4.444 12.987 -2.600 1.00 0.00 O ATOM 0 H GLY A 81 -1.337 12.228 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.925 13.754 -0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.252 13.961 -1.789 1.00 0.00 H new ATOM 1313 N MET A 82 -4.100 11.322 -1.144 1.00 0.00 N ATOM 1314 CA MET A 82 -5.219 10.525 -1.625 1.00 0.00 C ATOM 1315 C MET A 82 -6.493 10.864 -0.862 1.00 0.00 C ATOM 1316 O MET A 82 -6.464 11.600 0.127 1.00 0.00 O ATOM 1317 CB MET A 82 -4.908 9.035 -1.490 1.00 0.00 C ATOM 1318 CG MET A 82 -3.668 8.610 -2.247 1.00 0.00 C ATOM 1319 SD MET A 82 -3.361 6.839 -2.169 1.00 0.00 S ATOM 1320 CE MET A 82 -3.043 6.628 -0.431 1.00 0.00 C ATOM 0 H MET A 82 -3.582 10.896 -0.376 1.00 0.00 H new ATOM 0 HA MET A 82 -5.375 10.760 -2.678 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.782 8.792 -0.435 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.760 8.459 -1.851 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.767 8.909 -3.290 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.805 9.140 -1.844 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.680 5.617 -0.248 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.290 7.348 -0.109 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.964 6.790 0.130 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.608 10.323 -1.314 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.890 10.567 -0.674 1.00 0.00 C ATOM 1332 C GLU A 83 -9.551 9.261 -0.279 1.00 0.00 C ATOM 1333 O GLU A 83 -9.000 8.185 -0.497 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.811 11.376 -1.584 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.367 12.814 -1.778 1.00 0.00 C ATOM 1336 CD GLU A 83 -10.345 13.615 -2.597 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.420 13.970 -2.068 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -10.041 13.909 -3.772 1.00 0.00 O ATOM 0 H GLU A 83 -7.653 9.708 -2.126 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.707 11.149 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.866 10.888 -2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.818 11.369 -1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.241 13.287 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.393 12.827 -2.267 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.728 9.347 0.305 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.432 8.167 0.754 1.00 0.00 C ATOM 1347 C GLU A 84 -12.101 7.425 -0.395 1.00 0.00 C ATOM 1348 O GLU A 84 -12.595 8.028 -1.352 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.437 8.512 1.851 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.301 9.714 1.542 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.309 9.988 2.629 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -15.344 9.297 2.672 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.065 10.892 3.456 1.00 0.00 O ATOM 0 H GLU A 84 -11.217 10.225 0.480 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.689 7.491 1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.081 7.650 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.896 8.696 2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.667 10.590 1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.822 9.551 0.599 1.00 0.00 H new ATOM 1360 N GLU A 85 -12.071 6.103 -0.292 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.632 5.171 -1.266 1.00 0.00 C ATOM 1362 C GLU A 85 -11.752 5.115 -2.509 1.00 0.00 C ATOM 1363 O GLU A 85 -12.139 4.580 -3.554 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.088 5.520 -1.622 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.885 4.328 -2.134 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.354 4.629 -2.294 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -17.043 4.798 -1.267 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -16.833 4.675 -3.445 1.00 0.00 O ATOM 0 H GLU A 85 -11.639 5.630 0.502 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.651 4.180 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.583 5.927 -0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.092 6.303 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.478 4.010 -3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.763 3.493 -1.444 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.545 5.655 -2.382 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.591 5.654 -3.474 1.00 0.00 C ATOM 1377 C ASP A 86 -9.009 4.255 -3.652 1.00 0.00 C ATOM 1378 O ASP A 86 -9.239 3.352 -2.823 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.470 6.669 -3.224 1.00 0.00 C ATOM 1380 CG ASP A 86 -7.970 7.314 -4.503 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.857 6.608 -5.534 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -7.703 8.534 -4.491 1.00 0.00 O ATOM 0 H ASP A 86 -10.207 6.100 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.111 5.944 -4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.831 7.444 -2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.639 6.171 -2.724 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.244 4.065 -4.704 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.724 2.757 -5.025 1.00 0.00 C ATOM 1389 C VAL A 87 -6.234 2.797 -5.328 1.00 0.00 C ATOM 1390 O VAL A 87 -5.740 3.691 -6.011 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.479 2.127 -6.228 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -9.960 1.980 -5.912 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.289 2.957 -7.496 1.00 0.00 C ATOM 0 H VAL A 87 -7.968 4.803 -5.352 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.881 2.138 -4.142 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.057 1.137 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.472 1.537 -6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.084 1.337 -5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.386 2.961 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.829 2.491 -8.320 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.674 3.964 -7.333 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.228 3.010 -7.741 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.515 1.835 -4.794 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.095 1.698 -5.060 1.00 0.00 C ATOM 1405 C ILE A 88 -3.895 0.569 -6.059 1.00 0.00 C ATOM 1406 O ILE A 88 -4.588 -0.450 -5.998 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.276 1.414 -3.749 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.036 2.711 -2.952 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.944 0.736 -4.057 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.288 3.361 -2.412 1.00 0.00 C ATOM 0 H ILE A 88 -5.893 1.127 -4.165 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.725 2.638 -5.469 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.872 0.735 -3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.369 2.491 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.520 3.425 -3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.404 0.555 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.127 -0.213 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.348 1.381 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.022 4.266 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.950 3.618 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.797 2.669 -1.741 1.00 0.00 H new ATOM 1422 N GLU A 89 -2.952 0.731 -6.969 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.712 -0.259 -7.998 1.00 0.00 C ATOM 1424 C GLU A 89 -1.565 -1.172 -7.584 1.00 0.00 C ATOM 1425 O GLU A 89 -0.496 -0.704 -7.167 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.376 0.430 -9.321 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.164 -0.527 -10.475 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.457 -1.032 -11.071 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.293 -1.580 -10.329 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -3.648 -0.866 -12.291 1.00 0.00 O ATOM 0 H GLU A 89 -2.338 1.544 -7.015 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.614 -0.857 -8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.182 1.118 -9.576 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.475 1.029 -9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.584 -0.028 -11.251 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.573 -1.376 -10.131 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.774 -2.466 -7.675 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.753 -3.416 -7.298 1.00 0.00 C ATOM 1439 C VAL A 90 -0.538 -4.475 -8.377 1.00 0.00 C ATOM 1440 O VAL A 90 -1.489 -5.028 -8.939 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.083 -4.102 -5.942 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.232 -5.334 -5.743 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -0.867 -3.140 -4.785 1.00 0.00 C ATOM 0 H VAL A 90 -2.643 -2.885 -8.007 1.00 0.00 H new ATOM 0 HA VAL A 90 0.171 -2.849 -7.185 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.132 -4.397 -5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.480 -5.797 -4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.422 -6.042 -6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.821 -5.053 -5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.104 -3.641 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.174 -2.816 -4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.516 -2.273 -4.907 1.00 0.00 H new ATOM 1453 N TYR A 91 0.719 -4.746 -8.669 1.00 0.00 N ATOM 1454 CA TYR A 91 1.087 -5.776 -9.614 1.00 0.00 C ATOM 1455 C TYR A 91 1.956 -6.792 -8.902 1.00 0.00 C ATOM 1456 O TYR A 91 2.765 -6.430 -8.057 1.00 0.00 O ATOM 1457 CB TYR A 91 1.814 -5.178 -10.814 1.00 0.00 C ATOM 1458 CG TYR A 91 0.995 -4.147 -11.557 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -0.099 -4.526 -12.319 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.311 -2.797 -11.489 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.858 -3.593 -12.995 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.557 -1.854 -12.165 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.525 -2.259 -12.915 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.283 -1.322 -13.589 1.00 0.00 O ATOM 0 H TYR A 91 1.513 -4.256 -8.256 1.00 0.00 H new ATOM 0 HA TYR A 91 0.190 -6.265 -9.994 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.743 -4.719 -10.475 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.087 -5.979 -11.501 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.362 -5.571 -12.385 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.158 -2.478 -10.900 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.708 -3.907 -13.583 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.815 -0.807 -12.105 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.117 -1.163 -13.100 1.00 0.00 H new ATOM 1474 N GLN A 92 1.797 -8.059 -9.218 1.00 0.00 N ATOM 1475 CA GLN A 92 2.510 -9.089 -8.494 1.00 0.00 C ATOM 1476 C GLN A 92 3.160 -10.126 -9.413 1.00 0.00 C ATOM 1477 O GLN A 92 2.550 -10.614 -10.367 1.00 0.00 O ATOM 1478 CB GLN A 92 1.559 -9.797 -7.511 1.00 0.00 C ATOM 1479 CG GLN A 92 0.507 -10.675 -8.192 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.343 -11.466 -7.221 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -0.726 -12.597 -7.503 1.00 0.00 O ATOM 1482 NE2 GLN A 92 -0.691 -10.867 -6.098 1.00 0.00 N ATOM 0 H GLN A 92 1.188 -8.398 -9.962 1.00 0.00 H new ATOM 0 HA GLN A 92 3.314 -8.590 -7.952 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.147 -10.413 -6.831 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.054 -9.046 -6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.142 -10.045 -8.800 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.007 -11.366 -8.871 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.354 -9.926 -5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.297 -11.345 -5.432 1.00 0.00 H new