USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=16 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= 0.254 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.674 K(o=-0.42,f=0.86) USER MOD Set 2.1: A 60 ASN : amide:sc= -0.331 X(o=-1.8,f=-1.7) USER MOD Set 2.2: A 61 SER OG : rot -162:sc= -1.5! USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.17) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= -0.485 (180deg=-0.915) USER MOD Single : A 29 GLN : amide:sc= -2.9! C(o=-2.9!,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= -1.22! C(o=-1.2!,f=-7.9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -151:sc= -2.59! (180deg=-4.91!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-2.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= -0.0688 (180deg=-0.332) USER MOD Single : A 48 LYS NZ :NH3+ 144:sc= -1.92 (180deg=-6.55!) USER MOD Single : A 50 SER OG : rot 76:sc= 1.3 USER MOD Single : A 52 CYS SG : rot 45:sc= 0.168 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 55 GLN : amide:sc=-0.00677 X(o=-0.0068,f=-0.41) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -2.4 K(o=-2.4,f=-1.8) USER MOD Single : A 74 ASN : amide:sc= -0.0181 X(o=-0.018,f=-0.18) USER MOD Single : A 75 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-7.9!) USER MOD Single : A 76 THR OG1 : rot -140:sc= -3.64! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 173:sc= -4.89! (180deg=-5.04!) USER MOD Single : A 91 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -9.993 7.590 7.014 1.00 0.00 N ATOM 312 CA ILE A 22 -10.173 7.470 5.589 1.00 0.00 C ATOM 313 C ILE A 22 -10.174 5.996 5.192 1.00 0.00 C ATOM 314 O ILE A 22 -9.439 5.199 5.744 1.00 0.00 O ATOM 315 CB ILE A 22 -9.058 8.262 4.819 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.761 7.652 3.450 1.00 0.00 C ATOM 317 CG2 ILE A 22 -7.785 8.353 5.645 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.823 8.492 2.610 1.00 0.00 C ATOM 0 HA ILE A 22 -11.134 7.905 5.315 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.441 9.269 4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.326 6.662 3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.698 7.516 2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.029 8.907 5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.995 8.868 6.582 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.417 7.349 5.858 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.655 8.001 1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.266 9.474 2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.872 8.607 3.131 1.00 0.00 H new ATOM 330 N LYS A 23 -11.026 5.622 4.275 1.00 0.00 N ATOM 331 CA LYS A 23 -11.072 4.245 3.820 1.00 0.00 C ATOM 332 C LYS A 23 -10.375 4.117 2.476 1.00 0.00 C ATOM 333 O LYS A 23 -10.491 4.992 1.628 1.00 0.00 O ATOM 334 CB LYS A 23 -12.518 3.757 3.720 1.00 0.00 C ATOM 335 CG LYS A 23 -13.377 4.574 2.765 1.00 0.00 C ATOM 336 CD LYS A 23 -14.781 4.014 2.657 1.00 0.00 C ATOM 337 CE LYS A 23 -14.773 2.569 2.179 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.131 2.092 1.836 1.00 0.00 N ATOM 0 H LYS A 23 -11.698 6.244 3.826 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.552 3.621 4.547 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.519 2.717 3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.970 3.782 4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.423 5.607 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.913 4.587 1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.273 4.074 3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.364 4.623 1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.126 2.479 1.306 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.350 1.932 2.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.138 1.052 1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.807 2.427 2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.403 2.461 0.903 1.00 0.00 H new ATOM 352 N LEU A 24 -9.630 3.045 2.286 1.00 0.00 N ATOM 353 CA LEU A 24 -8.933 2.823 1.023 1.00 0.00 C ATOM 354 C LEU A 24 -9.080 1.386 0.553 1.00 0.00 C ATOM 355 O LEU A 24 -9.328 0.474 1.347 1.00 0.00 O ATOM 356 CB LEU A 24 -7.447 3.169 1.159 1.00 0.00 C ATOM 357 CG LEU A 24 -7.115 4.651 1.327 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.623 4.834 1.526 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.594 5.447 0.113 1.00 0.00 C ATOM 0 H LEU A 24 -9.489 2.314 2.983 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.389 3.477 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.046 2.628 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.926 2.799 0.276 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.633 5.026 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.399 5.894 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.306 4.294 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.090 4.445 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.350 6.500 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.101 5.073 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.673 5.336 0.008 1.00 0.00 H new ATOM 371 N LYS A 25 -8.949 1.179 -0.746 1.00 0.00 N ATOM 372 CA LYS A 25 -8.992 -0.153 -1.303 1.00 0.00 C ATOM 373 C LYS A 25 -7.796 -0.398 -2.207 1.00 0.00 C ATOM 374 O LYS A 25 -7.419 0.450 -3.016 1.00 0.00 O ATOM 375 CB LYS A 25 -10.322 -0.417 -2.051 1.00 0.00 C ATOM 376 CG LYS A 25 -10.326 -1.705 -2.886 1.00 0.00 C ATOM 377 CD LYS A 25 -10.073 -1.442 -4.367 1.00 0.00 C ATOM 378 CE LYS A 25 -11.370 -1.457 -5.179 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.327 -0.394 -4.764 1.00 0.00 N ATOM 0 H LYS A 25 -8.812 1.921 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.942 -0.859 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.132 -0.466 -1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.532 0.429 -2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.563 -2.383 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.286 -2.207 -2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.582 -0.476 -4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.391 -2.197 -4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.133 -1.332 -6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.848 -2.431 -5.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.298 -0.698 -4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.235 -0.224 -3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.117 0.483 -5.282 1.00 0.00 H new ATOM 393 N VAL A 26 -7.188 -1.548 -2.054 1.00 0.00 N ATOM 394 CA VAL A 26 -6.070 -1.932 -2.877 1.00 0.00 C ATOM 395 C VAL A 26 -6.546 -2.903 -3.947 1.00 0.00 C ATOM 396 O VAL A 26 -7.257 -3.864 -3.648 1.00 0.00 O ATOM 397 CB VAL A 26 -4.937 -2.579 -2.034 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.828 -3.099 -2.929 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.384 -1.577 -1.036 1.00 0.00 C ATOM 0 H VAL A 26 -7.454 -2.243 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.661 -1.036 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.358 -3.423 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.046 -3.548 -2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.231 -3.849 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.409 -2.274 -3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.591 -2.045 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.982 -0.716 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.181 -1.250 -0.368 1.00 0.00 H new ATOM 409 N ILE A 27 -6.179 -2.648 -5.188 1.00 0.00 N ATOM 410 CA ILE A 27 -6.594 -3.491 -6.288 1.00 0.00 C ATOM 411 C ILE A 27 -5.382 -3.950 -7.102 1.00 0.00 C ATOM 412 O ILE A 27 -4.415 -3.207 -7.280 1.00 0.00 O ATOM 413 CB ILE A 27 -7.624 -2.772 -7.211 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.132 -3.725 -8.303 1.00 0.00 C ATOM 415 CG2 ILE A 27 -7.021 -1.514 -7.827 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.198 -3.126 -9.197 1.00 0.00 C ATOM 0 H ILE A 27 -5.591 -1.859 -5.459 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.085 -4.365 -5.861 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.474 -2.471 -6.598 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.289 -4.037 -8.919 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.531 -4.623 -7.831 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.760 -1.032 -8.466 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.723 -0.827 -7.034 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.148 -1.783 -8.421 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.504 -3.861 -9.941 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.060 -2.840 -8.594 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.798 -2.245 -9.700 1.00 0.00 H new ATOM 428 N GLY A 28 -5.428 -5.177 -7.578 1.00 0.00 N ATOM 429 CA GLY A 28 -4.340 -5.717 -8.357 1.00 0.00 C ATOM 430 C GLY A 28 -4.790 -6.128 -9.736 1.00 0.00 C ATOM 431 O GLY A 28 -5.991 -6.230 -9.999 1.00 0.00 O ATOM 0 H GLY A 28 -6.209 -5.818 -7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.548 -4.973 -8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.916 -6.578 -7.841 1.00 0.00 H new ATOM 435 N GLN A 29 -3.835 -6.391 -10.630 1.00 0.00 N ATOM 436 CA GLN A 29 -4.154 -6.789 -12.013 1.00 0.00 C ATOM 437 C GLN A 29 -4.927 -8.114 -12.059 1.00 0.00 C ATOM 438 O GLN A 29 -5.506 -8.474 -13.079 1.00 0.00 O ATOM 439 CB GLN A 29 -2.882 -6.911 -12.875 1.00 0.00 C ATOM 440 CG GLN A 29 -2.060 -8.182 -12.634 1.00 0.00 C ATOM 441 CD GLN A 29 -1.146 -8.092 -11.432 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.005 -7.677 -11.548 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.631 -8.505 -10.278 1.00 0.00 N ATOM 0 H GLN A 29 -2.837 -6.337 -10.428 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.785 -6.000 -12.422 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.168 -6.874 -13.926 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.248 -6.044 -12.687 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.739 -9.024 -12.502 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.461 -8.391 -13.521 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.591 -8.845 -10.221 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.047 -8.484 -9.442 1.00 0.00 H new ATOM 452 N ASP A 30 -4.935 -8.837 -10.947 1.00 0.00 N ATOM 453 CA ASP A 30 -5.613 -10.128 -10.872 1.00 0.00 C ATOM 454 C ASP A 30 -7.051 -9.949 -10.376 1.00 0.00 C ATOM 455 O ASP A 30 -7.685 -10.888 -9.908 1.00 0.00 O ATOM 456 CB ASP A 30 -4.835 -11.077 -9.942 1.00 0.00 C ATOM 457 CG ASP A 30 -5.310 -12.517 -10.033 1.00 0.00 C ATOM 458 OD1 ASP A 30 -5.032 -13.171 -11.052 1.00 0.00 O ATOM 459 OD2 ASP A 30 -5.965 -13.001 -9.085 1.00 0.00 O ATOM 0 H ASP A 30 -4.478 -8.552 -10.081 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.648 -10.566 -11.870 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.775 -11.033 -10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.935 -10.731 -8.913 1.00 0.00 H new ATOM 464 N SER A 31 -7.556 -8.714 -10.470 1.00 0.00 N ATOM 465 CA SER A 31 -8.924 -8.380 -10.046 1.00 0.00 C ATOM 466 C SER A 31 -9.070 -8.486 -8.529 1.00 0.00 C ATOM 467 O SER A 31 -10.176 -8.481 -7.987 1.00 0.00 O ATOM 468 CB SER A 31 -9.951 -9.274 -10.761 1.00 0.00 C ATOM 469 OG SER A 31 -9.797 -9.193 -12.175 1.00 0.00 O ATOM 0 H SER A 31 -7.033 -7.920 -10.840 1.00 0.00 H new ATOM 0 HA SER A 31 -9.121 -7.346 -10.329 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.828 -10.307 -10.436 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.960 -8.970 -10.483 1.00 0.00 H new ATOM 0 HG SER A 31 -10.459 -9.770 -12.610 1.00 0.00 H new ATOM 475 N SER A 32 -7.943 -8.570 -7.846 1.00 0.00 N ATOM 476 CA SER A 32 -7.925 -8.648 -6.406 1.00 0.00 C ATOM 477 C SER A 32 -8.220 -7.278 -5.812 1.00 0.00 C ATOM 478 O SER A 32 -7.561 -6.298 -6.142 1.00 0.00 O ATOM 479 CB SER A 32 -6.553 -9.134 -5.936 1.00 0.00 C ATOM 480 OG SER A 32 -6.149 -10.287 -6.655 1.00 0.00 O ATOM 0 H SER A 32 -7.019 -8.586 -8.277 1.00 0.00 H new ATOM 0 HA SER A 32 -8.688 -9.351 -6.073 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.817 -8.341 -6.070 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.589 -9.360 -4.870 1.00 0.00 H new ATOM 0 HG SER A 32 -5.268 -10.578 -6.338 1.00 0.00 H new ATOM 486 N GLU A 33 -9.214 -7.203 -4.951 1.00 0.00 N ATOM 487 CA GLU A 33 -9.545 -5.949 -4.314 1.00 0.00 C ATOM 488 C GLU A 33 -9.811 -6.124 -2.831 1.00 0.00 C ATOM 489 O GLU A 33 -10.688 -6.883 -2.415 1.00 0.00 O ATOM 490 CB GLU A 33 -10.708 -5.228 -5.007 1.00 0.00 C ATOM 491 CG GLU A 33 -12.046 -5.938 -4.944 1.00 0.00 C ATOM 492 CD GLU A 33 -13.183 -5.010 -5.305 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.559 -4.171 -4.460 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.694 -5.093 -6.433 1.00 0.00 O ATOM 0 H GLU A 33 -9.802 -7.991 -4.679 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.668 -5.310 -4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.819 -4.240 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.446 -5.076 -6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.040 -6.789 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.202 -6.333 -3.940 1.00 0.00 H new ATOM 501 N ILE A 34 -9.037 -5.429 -2.035 1.00 0.00 N ATOM 502 CA ILE A 34 -9.169 -5.472 -0.593 1.00 0.00 C ATOM 503 C ILE A 34 -9.507 -4.094 -0.055 1.00 0.00 C ATOM 504 O ILE A 34 -8.887 -3.099 -0.426 1.00 0.00 O ATOM 505 CB ILE A 34 -7.877 -5.982 0.075 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.657 -5.252 -0.502 1.00 0.00 C ATOM 507 CG2 ILE A 34 -7.748 -7.492 -0.102 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.343 -5.641 0.130 1.00 0.00 C ATOM 0 H ILE A 34 -8.294 -4.814 -2.366 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.976 -6.165 -0.356 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.925 -5.771 1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.604 -5.449 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.801 -4.178 -0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.831 -7.837 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.604 -7.987 0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.717 -7.732 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.534 -5.078 -0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.372 -5.418 1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.172 -6.708 -0.013 1.00 0.00 H new ATOM 520 N HIS A 35 -10.500 -4.026 0.806 1.00 0.00 N ATOM 521 CA HIS A 35 -10.928 -2.756 1.380 1.00 0.00 C ATOM 522 C HIS A 35 -10.489 -2.676 2.827 1.00 0.00 C ATOM 523 O HIS A 35 -10.761 -3.583 3.616 1.00 0.00 O ATOM 524 CB HIS A 35 -12.461 -2.599 1.298 1.00 0.00 C ATOM 525 CG HIS A 35 -13.030 -2.577 -0.094 1.00 0.00 C ATOM 526 ND1 HIS A 35 -14.041 -1.724 -0.482 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.746 -3.327 -1.185 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.350 -1.954 -1.745 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.578 -2.920 -2.192 1.00 0.00 N ATOM 0 H HIS A 35 -11.031 -4.835 1.128 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.467 -1.951 0.808 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.924 -3.418 1.849 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.743 -1.675 1.803 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.999 -4.105 -1.249 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.108 -1.437 -2.314 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.596 -3.304 -3.137 1.00 0.00 H new ATOM 538 N PHE A 36 -9.802 -1.609 3.185 1.00 0.00 N ATOM 539 CA PHE A 36 -9.338 -1.434 4.547 1.00 0.00 C ATOM 540 C PHE A 36 -9.546 -0.009 5.025 1.00 0.00 C ATOM 541 O PHE A 36 -9.590 0.940 4.235 1.00 0.00 O ATOM 542 CB PHE A 36 -7.866 -1.835 4.689 1.00 0.00 C ATOM 543 CG PHE A 36 -7.633 -3.319 4.629 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.948 -4.124 5.712 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.105 -3.908 3.495 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.740 -5.488 5.664 1.00 0.00 C ATOM 547 CE2 PHE A 36 -6.895 -5.272 3.442 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.212 -6.062 4.528 1.00 0.00 C ATOM 0 H PHE A 36 -9.553 -0.850 2.551 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.935 -2.094 5.177 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.290 -1.354 3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.485 -1.455 5.637 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.361 -3.679 6.605 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.854 -3.295 2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.991 -6.104 6.515 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.483 -5.720 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.047 -7.128 4.488 1.00 0.00 H new ATOM 558 N LYS A 37 -9.682 0.135 6.317 1.00 0.00 N ATOM 559 CA LYS A 37 -9.892 1.426 6.930 1.00 0.00 C ATOM 560 C LYS A 37 -8.586 1.938 7.514 1.00 0.00 C ATOM 561 O LYS A 37 -7.891 1.222 8.248 1.00 0.00 O ATOM 562 CB LYS A 37 -10.951 1.314 8.013 1.00 0.00 C ATOM 563 CG LYS A 37 -11.362 2.640 8.633 1.00 0.00 C ATOM 564 CD LYS A 37 -12.321 2.418 9.784 1.00 0.00 C ATOM 565 CE LYS A 37 -11.626 1.735 10.949 1.00 0.00 C ATOM 566 NZ LYS A 37 -12.593 1.130 11.891 1.00 0.00 N ATOM 0 H LYS A 37 -9.651 -0.641 6.979 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.237 2.133 6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.835 0.835 7.591 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.579 0.659 8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.478 3.171 8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.832 3.270 7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.730 3.374 10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.161 1.809 9.450 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.957 0.963 10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.008 2.460 11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.079 0.674 12.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.216 1.870 12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.166 0.419 11.392 1.00 0.00 H new ATOM 580 N VAL A 38 -8.250 3.170 7.203 1.00 0.00 N ATOM 581 CA VAL A 38 -7.008 3.765 7.641 1.00 0.00 C ATOM 582 C VAL A 38 -7.260 5.155 8.230 1.00 0.00 C ATOM 583 O VAL A 38 -8.382 5.658 8.202 1.00 0.00 O ATOM 584 CB VAL A 38 -5.988 3.858 6.460 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.554 2.471 6.012 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.575 4.625 5.280 1.00 0.00 C ATOM 0 H VAL A 38 -8.832 3.789 6.638 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.581 3.127 8.415 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.116 4.401 6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.844 2.560 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.081 1.951 6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.425 1.907 5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.841 4.672 4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.471 4.116 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.833 5.636 5.595 1.00 0.00 H new ATOM 622 N MET A 40 -5.220 9.199 8.915 1.00 0.00 N ATOM 623 CA MET A 40 -4.576 10.197 8.086 1.00 0.00 C ATOM 624 C MET A 40 -3.103 9.857 7.896 1.00 0.00 C ATOM 625 O MET A 40 -2.560 9.984 6.805 1.00 0.00 O ATOM 626 CB MET A 40 -4.743 11.595 8.700 1.00 0.00 C ATOM 627 CG MET A 40 -4.125 12.734 7.893 1.00 0.00 C ATOM 628 SD MET A 40 -5.160 13.339 6.515 1.00 0.00 S ATOM 629 CE MET A 40 -5.321 11.898 5.449 1.00 0.00 C ATOM 0 HA MET A 40 -5.054 10.199 7.106 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.807 11.795 8.826 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.299 11.593 9.696 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.916 13.566 8.565 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.168 12.400 7.492 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.448 12.222 4.416 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.424 11.284 5.529 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.189 11.314 5.755 1.00 0.00 H new ATOM 639 N THR A 41 -2.470 9.373 8.946 1.00 0.00 N ATOM 640 CA THR A 41 -1.047 9.075 8.908 1.00 0.00 C ATOM 641 C THR A 41 -0.741 7.566 8.906 1.00 0.00 C ATOM 642 O THR A 41 0.365 7.148 9.261 1.00 0.00 O ATOM 643 CB THR A 41 -0.332 9.746 10.089 1.00 0.00 C ATOM 644 OG1 THR A 41 -1.048 9.474 11.304 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.251 11.247 9.873 1.00 0.00 C ATOM 0 H THR A 41 -2.918 9.176 9.841 1.00 0.00 H new ATOM 0 HA THR A 41 -0.674 9.476 7.965 1.00 0.00 H new ATOM 0 HB THR A 41 0.679 9.344 10.162 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.589 9.902 12.057 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.258 11.709 10.718 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.304 11.453 8.958 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.257 11.657 9.787 1.00 0.00 H new ATOM 653 N THR A 42 -1.696 6.748 8.482 1.00 0.00 N ATOM 654 CA THR A 42 -1.479 5.304 8.433 1.00 0.00 C ATOM 655 C THR A 42 -0.464 4.933 7.357 1.00 0.00 C ATOM 656 O THR A 42 -0.614 5.299 6.191 1.00 0.00 O ATOM 657 CB THR A 42 -2.788 4.536 8.153 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.728 4.791 9.186 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.533 3.037 8.075 1.00 0.00 C ATOM 0 H THR A 42 -2.618 7.053 8.170 1.00 0.00 H new ATOM 0 HA THR A 42 -1.098 5.020 9.414 1.00 0.00 H new ATOM 0 HB THR A 42 -3.182 4.879 7.196 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.557 4.302 9.002 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.471 2.518 7.877 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.827 2.829 7.271 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.119 2.689 9.021 1.00 0.00 H new ATOM 667 N HIS A 43 0.575 4.215 7.749 1.00 0.00 N ATOM 668 CA HIS A 43 1.554 3.733 6.798 1.00 0.00 C ATOM 669 C HIS A 43 0.969 2.546 6.061 1.00 0.00 C ATOM 670 O HIS A 43 0.702 1.496 6.652 1.00 0.00 O ATOM 671 CB HIS A 43 2.874 3.351 7.492 1.00 0.00 C ATOM 672 CG HIS A 43 3.697 4.533 7.916 1.00 0.00 C ATOM 673 ND1 HIS A 43 5.073 4.519 7.977 1.00 0.00 N ATOM 674 CD2 HIS A 43 3.324 5.779 8.289 1.00 0.00 C ATOM 675 CE1 HIS A 43 5.509 5.702 8.370 1.00 0.00 C ATOM 676 NE2 HIS A 43 4.467 6.490 8.563 1.00 0.00 N ATOM 0 H HIS A 43 0.759 3.955 8.718 1.00 0.00 H new ATOM 0 HA HIS A 43 1.788 4.529 6.091 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.651 2.742 8.368 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.464 2.732 6.816 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.311 6.148 8.359 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.544 5.978 8.510 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.505 7.464 8.865 1.00 0.00 H new ATOM 685 N LEU A 44 0.757 2.714 4.768 1.00 0.00 N ATOM 686 CA LEU A 44 0.127 1.686 3.936 1.00 0.00 C ATOM 687 C LEU A 44 0.975 0.429 3.831 1.00 0.00 C ATOM 688 O LEU A 44 0.520 -0.599 3.332 1.00 0.00 O ATOM 689 CB LEU A 44 -0.167 2.237 2.549 1.00 0.00 C ATOM 690 CG LEU A 44 -1.162 3.388 2.504 1.00 0.00 C ATOM 691 CD1 LEU A 44 -1.267 3.937 1.097 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.528 2.938 3.005 1.00 0.00 C ATOM 0 H LEU A 44 1.013 3.561 4.260 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.808 1.407 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.770 2.571 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.546 1.426 1.927 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.803 4.180 3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.982 4.760 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.291 4.298 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.604 3.149 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.224 3.776 2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.898 2.128 2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.441 2.588 4.034 1.00 0.00 H new ATOM 704 N LYS A 45 2.200 0.512 4.297 1.00 0.00 N ATOM 705 CA LYS A 45 3.107 -0.618 4.302 1.00 0.00 C ATOM 706 C LYS A 45 2.482 -1.817 5.017 1.00 0.00 C ATOM 707 O LYS A 45 2.514 -2.937 4.510 1.00 0.00 O ATOM 708 CB LYS A 45 4.424 -0.207 4.966 1.00 0.00 C ATOM 709 CG LYS A 45 5.401 -1.343 5.279 1.00 0.00 C ATOM 710 CD LYS A 45 5.688 -2.242 4.075 1.00 0.00 C ATOM 711 CE LYS A 45 6.356 -1.491 2.954 1.00 0.00 C ATOM 712 NZ LYS A 45 6.890 -2.401 1.912 1.00 0.00 N ATOM 0 H LYS A 45 2.599 1.367 4.685 1.00 0.00 H new ATOM 0 HA LYS A 45 3.307 -0.921 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.927 0.510 4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.192 0.313 5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.338 -0.918 5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.995 -1.950 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.324 -3.071 4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.754 -2.674 3.715 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.641 -0.804 2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.168 -0.886 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.341 -1.841 1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.592 -3.040 2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.112 -2.960 1.508 1.00 0.00 H new ATOM 726 N LYS A 46 1.872 -1.572 6.175 1.00 0.00 N ATOM 727 CA LYS A 46 1.240 -2.635 6.950 1.00 0.00 C ATOM 728 C LYS A 46 0.056 -3.224 6.192 1.00 0.00 C ATOM 729 O LYS A 46 -0.252 -4.406 6.317 1.00 0.00 O ATOM 730 CB LYS A 46 0.802 -2.114 8.332 1.00 0.00 C ATOM 731 CG LYS A 46 0.317 -3.202 9.300 1.00 0.00 C ATOM 732 CD LYS A 46 -1.190 -3.451 9.204 1.00 0.00 C ATOM 733 CE LYS A 46 -1.999 -2.275 9.745 1.00 0.00 C ATOM 734 NZ LYS A 46 -1.718 -2.016 11.181 1.00 0.00 N ATOM 0 H LYS A 46 1.803 -0.646 6.597 1.00 0.00 H new ATOM 0 HA LYS A 46 1.972 -3.428 7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.639 -1.586 8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.003 -1.386 8.195 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.848 -4.131 9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.569 -2.913 10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.462 -3.631 8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.445 -4.353 9.761 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.771 -1.381 9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.062 -2.477 9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.454 -1.394 11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.713 -2.916 11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.790 -1.556 11.276 1.00 0.00 H new ATOM 748 N LEU A 47 -0.590 -2.412 5.367 1.00 0.00 N ATOM 749 CA LEU A 47 -1.726 -2.875 4.606 1.00 0.00 C ATOM 750 C LEU A 47 -1.223 -3.761 3.482 1.00 0.00 C ATOM 751 O LEU A 47 -1.715 -4.872 3.269 1.00 0.00 O ATOM 752 CB LEU A 47 -2.526 -1.679 4.042 1.00 0.00 C ATOM 753 CG LEU A 47 -3.927 -1.990 3.461 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.673 -0.707 3.155 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.838 -2.842 2.202 1.00 0.00 C ATOM 0 H LEU A 47 -0.343 -1.434 5.213 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.396 -3.444 5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.644 -0.943 4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.930 -1.210 3.259 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.472 -2.555 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.655 -0.946 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.791 -0.127 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.110 -0.124 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.841 -3.039 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.262 -2.311 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.346 -3.786 2.436 1.00 0.00 H new ATOM 767 N LYS A 48 -0.213 -3.280 2.771 1.00 0.00 N ATOM 768 CA LYS A 48 0.346 -4.011 1.658 1.00 0.00 C ATOM 769 C LYS A 48 0.962 -5.317 2.124 1.00 0.00 C ATOM 770 O LYS A 48 0.698 -6.364 1.551 1.00 0.00 O ATOM 771 CB LYS A 48 1.381 -3.175 0.913 1.00 0.00 C ATOM 772 CG LYS A 48 0.793 -2.242 -0.137 1.00 0.00 C ATOM 773 CD LYS A 48 -0.127 -1.203 0.463 1.00 0.00 C ATOM 774 CE LYS A 48 -0.625 -0.250 -0.593 1.00 0.00 C ATOM 775 NZ LYS A 48 -1.268 -0.977 -1.718 1.00 0.00 N ATOM 0 H LYS A 48 0.234 -2.381 2.952 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.469 -4.237 0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.941 -2.582 1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.093 -3.845 0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.603 -1.742 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.243 -2.829 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.973 -1.695 0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.401 -0.649 1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.339 0.445 -0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.207 0.345 -0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.074 -0.424 -2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.577 -1.113 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.604 -1.904 -1.386 1.00 0.00 H new ATOM 789 N GLU A 49 1.812 -5.256 3.151 1.00 0.00 N ATOM 790 CA GLU A 49 2.408 -6.460 3.726 1.00 0.00 C ATOM 791 C GLU A 49 1.346 -7.489 4.109 1.00 0.00 C ATOM 792 O GLU A 49 1.506 -8.679 3.843 1.00 0.00 O ATOM 793 CB GLU A 49 3.288 -6.117 4.930 1.00 0.00 C ATOM 794 CG GLU A 49 4.652 -5.572 4.561 1.00 0.00 C ATOM 795 CD GLU A 49 5.543 -5.379 5.769 1.00 0.00 C ATOM 796 OE1 GLU A 49 5.327 -4.412 6.525 1.00 0.00 O ATOM 797 OE2 GLU A 49 6.462 -6.191 5.966 1.00 0.00 O ATOM 0 H GLU A 49 2.102 -4.387 3.600 1.00 0.00 H new ATOM 0 HA GLU A 49 3.038 -6.907 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.770 -5.384 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.418 -7.012 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.136 -6.254 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.532 -4.619 4.046 1.00 0.00 H new ATOM 804 N SER A 50 0.249 -7.036 4.716 1.00 0.00 N ATOM 805 CA SER A 50 -0.845 -7.938 5.068 1.00 0.00 C ATOM 806 C SER A 50 -1.416 -8.583 3.805 1.00 0.00 C ATOM 807 O SER A 50 -1.716 -9.774 3.778 1.00 0.00 O ATOM 808 CB SER A 50 -1.937 -7.190 5.832 1.00 0.00 C ATOM 809 OG SER A 50 -1.424 -6.641 7.039 1.00 0.00 O ATOM 0 H SER A 50 0.096 -6.060 4.972 1.00 0.00 H new ATOM 0 HA SER A 50 -0.457 -8.722 5.718 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.343 -6.393 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.760 -7.869 6.057 1.00 0.00 H new ATOM 0 HG SER A 50 -0.885 -5.848 6.835 1.00 0.00 H new ATOM 815 N TYR A 51 -1.535 -7.788 2.747 1.00 0.00 N ATOM 816 CA TYR A 51 -2.003 -8.274 1.461 1.00 0.00 C ATOM 817 C TYR A 51 -1.029 -9.293 0.884 1.00 0.00 C ATOM 818 O TYR A 51 -1.440 -10.287 0.291 1.00 0.00 O ATOM 819 CB TYR A 51 -2.202 -7.090 0.490 1.00 0.00 C ATOM 820 CG TYR A 51 -1.856 -7.402 -0.950 1.00 0.00 C ATOM 821 CD1 TYR A 51 -2.755 -8.051 -1.786 1.00 0.00 C ATOM 822 CD2 TYR A 51 -0.617 -7.058 -1.460 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.421 -8.346 -3.093 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.275 -7.353 -2.758 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.179 -7.995 -3.572 1.00 0.00 C ATOM 826 OH TYR A 51 -0.827 -8.300 -4.865 1.00 0.00 O ATOM 0 H TYR A 51 -1.310 -6.793 2.760 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.962 -8.772 1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.241 -6.765 0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.590 -6.253 0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.728 -8.329 -1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.094 -6.549 -0.827 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.129 -8.849 -3.735 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.699 -7.082 -3.137 1.00 0.00 H new ATOM 0 HH TYR A 51 0.083 -7.981 -5.040 1.00 0.00 H new ATOM 836 N CYS A 52 0.264 -9.069 1.065 1.00 0.00 N ATOM 837 CA CYS A 52 1.262 -9.981 0.537 1.00 0.00 C ATOM 838 C CYS A 52 1.212 -11.301 1.287 1.00 0.00 C ATOM 839 O CYS A 52 1.288 -12.365 0.694 1.00 0.00 O ATOM 840 CB CYS A 52 2.659 -9.367 0.639 1.00 0.00 C ATOM 841 SG CYS A 52 2.787 -7.703 -0.055 1.00 0.00 S ATOM 0 H CYS A 52 0.643 -8.268 1.570 1.00 0.00 H new ATOM 0 HA CYS A 52 1.042 -10.164 -0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.954 -9.335 1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.368 -10.018 0.128 1.00 0.00 H new ATOM 0 HG CYS A 52 1.771 -6.991 0.334 1.00 0.00 H new ATOM 847 N GLN A 53 1.049 -11.227 2.601 1.00 0.00 N ATOM 848 CA GLN A 53 0.966 -12.419 3.432 1.00 0.00 C ATOM 849 C GLN A 53 -0.326 -13.177 3.152 1.00 0.00 C ATOM 850 O GLN A 53 -0.340 -14.402 3.094 1.00 0.00 O ATOM 851 CB GLN A 53 1.044 -12.047 4.911 1.00 0.00 C ATOM 852 CG GLN A 53 2.321 -11.316 5.292 1.00 0.00 C ATOM 853 CD GLN A 53 2.303 -10.821 6.722 1.00 0.00 C ATOM 854 OE1 GLN A 53 1.691 -11.430 7.599 1.00 0.00 O ATOM 855 NE2 GLN A 53 2.969 -9.711 6.968 1.00 0.00 N ATOM 0 H GLN A 53 0.971 -10.350 3.116 1.00 0.00 H new ATOM 0 HA GLN A 53 1.810 -13.064 3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.188 -11.421 5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.963 -12.955 5.509 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.172 -11.982 5.153 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.465 -10.470 4.620 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.464 -9.235 6.214 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.990 -9.327 7.913 1.00 0.00 H new ATOM 864 N ARG A 54 -1.409 -12.434 2.963 1.00 0.00 N ATOM 865 CA ARG A 54 -2.717 -13.012 2.669 1.00 0.00 C ATOM 866 C ARG A 54 -2.688 -13.745 1.331 1.00 0.00 C ATOM 867 O ARG A 54 -3.238 -14.837 1.185 1.00 0.00 O ATOM 868 CB ARG A 54 -3.776 -11.900 2.626 1.00 0.00 C ATOM 869 CG ARG A 54 -5.200 -12.389 2.405 1.00 0.00 C ATOM 870 CD ARG A 54 -5.677 -13.222 3.572 1.00 0.00 C ATOM 871 NE ARG A 54 -7.076 -13.629 3.441 1.00 0.00 N ATOM 872 CZ ARG A 54 -7.777 -14.212 4.417 1.00 0.00 C ATOM 873 NH1 ARG A 54 -7.204 -14.465 5.588 1.00 0.00 N ATOM 874 NH2 ARG A 54 -9.044 -14.545 4.219 1.00 0.00 N ATOM 0 H ARG A 54 -1.407 -11.415 3.009 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.969 -13.725 3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.738 -11.344 3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.518 -11.201 1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.864 -11.535 2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.247 -12.979 1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.051 -14.110 3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.553 -12.653 4.494 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.544 -13.457 2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.228 -14.214 5.743 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.740 -14.910 6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.486 -14.356 3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.577 -14.990 4.966 1.00 0.00 H new ATOM 888 N GLN A 55 -2.020 -13.143 0.361 1.00 0.00 N ATOM 889 CA GLN A 55 -1.926 -13.699 -0.985 1.00 0.00 C ATOM 890 C GLN A 55 -0.770 -14.692 -1.082 1.00 0.00 C ATOM 891 O GLN A 55 -0.633 -15.423 -2.064 1.00 0.00 O ATOM 892 CB GLN A 55 -1.746 -12.565 -2.003 1.00 0.00 C ATOM 893 CG GLN A 55 -3.044 -11.858 -2.436 1.00 0.00 C ATOM 894 CD GLN A 55 -4.110 -11.786 -1.357 1.00 0.00 C ATOM 895 OE1 GLN A 55 -4.947 -12.672 -1.237 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.090 -10.731 -0.573 1.00 0.00 N ATOM 0 H GLN A 55 -1.528 -12.258 0.480 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.849 -14.234 -1.208 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.071 -11.822 -1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.258 -12.969 -2.890 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.801 -10.845 -2.758 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.455 -12.378 -3.301 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.377 -10.013 -0.703 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.787 -10.631 0.165 1.00 0.00 H new ATOM 905 N GLY A 56 0.055 -14.711 -0.051 1.00 0.00 N ATOM 906 CA GLY A 56 1.196 -15.606 -0.004 1.00 0.00 C ATOM 907 C GLY A 56 2.261 -15.240 -1.022 1.00 0.00 C ATOM 908 O GLY A 56 2.872 -16.113 -1.642 1.00 0.00 O ATOM 0 H GLY A 56 -0.045 -14.113 0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.630 -15.585 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.861 -16.627 -0.184 1.00 0.00 H new ATOM 912 N VAL A 57 2.486 -13.950 -1.206 1.00 0.00 N ATOM 913 CA VAL A 57 3.480 -13.485 -2.158 1.00 0.00 C ATOM 914 C VAL A 57 4.544 -12.625 -1.511 1.00 0.00 C ATOM 915 O VAL A 57 4.259 -11.804 -0.643 1.00 0.00 O ATOM 916 CB VAL A 57 2.868 -12.709 -3.343 1.00 0.00 C ATOM 917 CG1 VAL A 57 2.467 -13.662 -4.450 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.684 -11.871 -2.893 1.00 0.00 C ATOM 0 H VAL A 57 1.994 -13.207 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 57 3.939 -14.397 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 57 3.626 -12.030 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.037 -13.098 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.345 -14.205 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.729 -14.370 -4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.272 -11.335 -3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.918 -12.521 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.011 -11.155 -2.139 1.00 0.00 H new ATOM 928 N PRO A 58 5.791 -12.835 -1.925 1.00 0.00 N ATOM 929 CA PRO A 58 6.931 -12.048 -1.464 1.00 0.00 C ATOM 930 C PRO A 58 6.851 -10.595 -1.927 1.00 0.00 C ATOM 931 O PRO A 58 6.450 -10.301 -3.061 1.00 0.00 O ATOM 932 CB PRO A 58 8.133 -12.740 -2.112 1.00 0.00 C ATOM 933 CG PRO A 58 7.568 -13.515 -3.253 1.00 0.00 C ATOM 934 CD PRO A 58 6.187 -13.896 -2.860 1.00 0.00 C ATOM 0 HA PRO A 58 6.981 -12.007 -0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.868 -12.012 -2.456 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.640 -13.395 -1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.561 -12.916 -4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.171 -14.399 -3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.522 -13.940 -3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.161 -14.878 -2.387 1.00 0.00 H new ATOM 942 N MET A 59 7.266 -9.692 -1.059 1.00 0.00 N ATOM 943 CA MET A 59 7.243 -8.257 -1.326 1.00 0.00 C ATOM 944 C MET A 59 8.203 -7.869 -2.459 1.00 0.00 C ATOM 945 O MET A 59 8.081 -6.809 -3.054 1.00 0.00 O ATOM 946 CB MET A 59 7.587 -7.466 -0.055 1.00 0.00 C ATOM 947 CG MET A 59 8.973 -7.756 0.514 1.00 0.00 C ATOM 948 SD MET A 59 9.120 -9.409 1.231 1.00 0.00 S ATOM 949 CE MET A 59 10.834 -9.397 1.754 1.00 0.00 C ATOM 0 H MET A 59 7.633 -9.931 -0.138 1.00 0.00 H new ATOM 0 HA MET A 59 6.231 -8.005 -1.644 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.513 -6.401 -0.274 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.841 -7.687 0.708 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.714 -7.644 -0.278 1.00 0.00 H new ATOM 0 HG3 MET A 59 9.207 -7.014 1.277 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.080 -10.352 2.218 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.477 -9.238 0.889 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.989 -8.594 2.474 1.00 0.00 H new ATOM 959 N ASN A 60 9.156 -8.735 -2.749 1.00 0.00 N ATOM 960 CA ASN A 60 10.141 -8.468 -3.796 1.00 0.00 C ATOM 961 C ASN A 60 9.598 -8.840 -5.151 1.00 0.00 C ATOM 962 O ASN A 60 10.147 -8.470 -6.184 1.00 0.00 O ATOM 963 CB ASN A 60 11.451 -9.225 -3.534 1.00 0.00 C ATOM 964 CG ASN A 60 11.241 -10.702 -3.245 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.091 -11.512 -4.156 1.00 0.00 O ATOM 966 ND2 ASN A 60 11.267 -11.063 -1.973 1.00 0.00 N ATOM 0 H ASN A 60 9.274 -9.632 -2.277 1.00 0.00 H new ATOM 0 HA ASN A 60 10.351 -7.398 -3.781 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.103 -9.120 -4.401 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.966 -8.766 -2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.160 -12.045 -1.719 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.394 -10.359 -1.246 1.00 0.00 H new ATOM 973 N SER A 61 8.519 -9.570 -5.146 1.00 0.00 N ATOM 974 CA SER A 61 7.906 -10.020 -6.360 1.00 0.00 C ATOM 975 C SER A 61 6.757 -9.120 -6.772 1.00 0.00 C ATOM 976 O SER A 61 6.409 -9.028 -7.945 1.00 0.00 O ATOM 977 CB SER A 61 7.407 -11.429 -6.159 1.00 0.00 C ATOM 978 OG SER A 61 8.485 -12.322 -5.964 1.00 0.00 O ATOM 0 H SER A 61 8.040 -9.870 -4.297 1.00 0.00 H new ATOM 0 HA SER A 61 8.649 -9.990 -7.157 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.740 -11.464 -5.297 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.824 -11.740 -7.026 1.00 0.00 H new ATOM 0 HG SER A 61 8.181 -13.241 -6.120 1.00 0.00 H new ATOM 984 N LEU A 62 6.161 -8.453 -5.827 1.00 0.00 N ATOM 985 CA LEU A 62 5.028 -7.638 -6.127 1.00 0.00 C ATOM 986 C LEU A 62 5.330 -6.146 -5.871 1.00 0.00 C ATOM 987 O LEU A 62 6.225 -5.801 -5.102 1.00 0.00 O ATOM 988 CB LEU A 62 3.783 -8.190 -5.364 1.00 0.00 C ATOM 989 CG LEU A 62 3.345 -7.526 -4.053 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.493 -7.393 -3.080 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.666 -6.206 -4.324 1.00 0.00 C ATOM 0 H LEU A 62 6.442 -8.459 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 62 4.792 -7.690 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.936 -8.150 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.971 -9.242 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 62 2.614 -8.177 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.141 -6.918 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.889 -8.382 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.279 -6.783 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.363 -5.752 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.357 -5.541 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.786 -6.370 -4.946 1.00 0.00 H new ATOM 1003 N ARG A 63 4.597 -5.276 -6.535 1.00 0.00 N ATOM 1004 CA ARG A 63 4.804 -3.838 -6.414 1.00 0.00 C ATOM 1005 C ARG A 63 3.491 -3.100 -6.144 1.00 0.00 C ATOM 1006 O ARG A 63 2.439 -3.449 -6.687 1.00 0.00 O ATOM 1007 CB ARG A 63 5.435 -3.298 -7.688 1.00 0.00 C ATOM 1008 CG ARG A 63 4.540 -3.437 -8.900 1.00 0.00 C ATOM 1009 CD ARG A 63 5.174 -2.850 -10.127 1.00 0.00 C ATOM 1010 NE ARG A 63 6.253 -3.688 -10.650 1.00 0.00 N ATOM 1011 CZ ARG A 63 7.167 -3.265 -11.523 1.00 0.00 C ATOM 1012 NH1 ARG A 63 7.208 -1.992 -11.883 1.00 0.00 N ATOM 1013 NH2 ARG A 63 8.054 -4.113 -12.019 1.00 0.00 N ATOM 0 H ARG A 63 3.844 -5.538 -7.171 1.00 0.00 H new ATOM 0 HA ARG A 63 5.469 -3.669 -5.568 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.683 -2.246 -7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.372 -3.824 -7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.321 -4.491 -9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.589 -2.941 -8.709 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.414 -2.717 -10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.567 -1.861 -9.892 1.00 0.00 H new ATOM 0 HE ARG A 63 6.309 -4.654 -10.327 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.538 -1.330 -11.492 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.909 -1.673 -12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.039 -5.092 -11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.753 -3.787 -12.687 1.00 0.00 H new ATOM 1027 N PHE A 64 3.546 -2.091 -5.288 1.00 0.00 N ATOM 1028 CA PHE A 64 2.377 -1.273 -4.983 1.00 0.00 C ATOM 1029 C PHE A 64 2.589 0.157 -5.429 1.00 0.00 C ATOM 1030 O PHE A 64 3.514 0.826 -4.976 1.00 0.00 O ATOM 1031 CB PHE A 64 2.073 -1.285 -3.481 1.00 0.00 C ATOM 1032 CG PHE A 64 3.003 -2.136 -2.665 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.737 -3.476 -2.478 1.00 0.00 C ATOM 1034 CD2 PHE A 64 4.135 -1.594 -2.080 1.00 0.00 C ATOM 1035 CE1 PHE A 64 3.578 -4.269 -1.728 1.00 0.00 C ATOM 1036 CE2 PHE A 64 4.983 -2.381 -1.325 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.705 -3.722 -1.150 1.00 0.00 C ATOM 0 H PHE A 64 4.392 -1.816 -4.789 1.00 0.00 H new ATOM 0 HA PHE A 64 1.533 -1.701 -5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.114 -0.262 -3.107 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.053 -1.638 -3.332 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.856 -3.911 -2.926 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.357 -0.546 -2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.355 -5.317 -1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.863 -1.948 -0.872 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.367 -4.341 -0.563 1.00 0.00 H new ATOM 1047 N LEU A 65 1.738 0.632 -6.311 1.00 0.00 N ATOM 1048 CA LEU A 65 1.840 1.994 -6.786 1.00 0.00 C ATOM 1049 C LEU A 65 0.486 2.698 -6.871 1.00 0.00 C ATOM 1050 O LEU A 65 -0.566 2.074 -6.932 1.00 0.00 O ATOM 1051 CB LEU A 65 2.596 2.050 -8.129 1.00 0.00 C ATOM 1052 CG LEU A 65 2.214 1.004 -9.184 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.839 1.273 -9.752 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.248 0.971 -10.290 1.00 0.00 C ATOM 0 H LEU A 65 0.969 0.096 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 65 2.418 2.546 -6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.446 3.039 -8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.662 1.951 -7.923 1.00 0.00 H new ATOM 0 HG LEU A 65 2.188 0.029 -8.697 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.598 0.514 -10.497 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.101 1.241 -8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.825 2.258 -10.219 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.964 0.224 -11.031 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.304 1.951 -10.765 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.221 0.714 -9.871 1.00 0.00 H new ATOM 1066 N PHE A 66 0.527 4.006 -6.841 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.653 4.836 -6.971 1.00 0.00 C ATOM 1068 C PHE A 66 -0.301 6.017 -7.836 1.00 0.00 C ATOM 1069 O PHE A 66 0.652 6.726 -7.550 1.00 0.00 O ATOM 1070 CB PHE A 66 -1.161 5.302 -5.599 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.260 6.323 -5.679 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.487 5.996 -6.224 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -2.063 7.611 -5.210 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.496 6.932 -6.301 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -3.071 8.551 -5.285 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.288 8.211 -5.831 1.00 0.00 C ATOM 0 H PHE A 66 1.391 4.536 -6.724 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.457 4.259 -7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.520 4.437 -5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.327 5.721 -5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.657 4.996 -6.594 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.110 7.883 -4.781 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.450 6.663 -6.730 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.905 9.552 -4.916 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.078 8.945 -5.891 1.00 0.00 H new ATOM 1086 N GLU A 67 -1.042 6.220 -8.912 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.738 7.271 -9.886 1.00 0.00 C ATOM 1088 C GLU A 67 0.679 7.096 -10.451 1.00 0.00 C ATOM 1089 O GLU A 67 1.298 8.043 -10.940 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.886 8.666 -9.269 1.00 0.00 C ATOM 1091 CG GLU A 67 -2.313 9.056 -8.942 1.00 0.00 C ATOM 1092 CD GLU A 67 -2.427 10.506 -8.538 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -2.204 11.378 -9.392 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -2.731 10.786 -7.365 1.00 0.00 O ATOM 0 H GLU A 67 -1.869 5.668 -9.140 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.458 7.179 -10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.291 8.712 -8.357 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.470 9.401 -9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.947 8.871 -9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.685 8.425 -8.135 1.00 0.00 H new ATOM 1101 N GLY A 68 1.182 5.867 -10.398 1.00 0.00 N ATOM 1102 CA GLY A 68 2.490 5.564 -10.937 1.00 0.00 C ATOM 1103 C GLY A 68 3.609 5.704 -9.917 1.00 0.00 C ATOM 1104 O GLY A 68 4.781 5.518 -10.248 1.00 0.00 O ATOM 0 H GLY A 68 0.699 5.069 -9.986 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.488 4.546 -11.326 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.691 6.226 -11.779 1.00 0.00 H new ATOM 1108 N GLN A 69 3.268 6.012 -8.667 1.00 0.00 N ATOM 1109 CA GLN A 69 4.281 6.201 -7.640 1.00 0.00 C ATOM 1110 C GLN A 69 4.274 5.024 -6.690 1.00 0.00 C ATOM 1111 O GLN A 69 3.212 4.570 -6.250 1.00 0.00 O ATOM 1112 CB GLN A 69 4.033 7.510 -6.872 1.00 0.00 C ATOM 1113 CG GLN A 69 2.894 7.443 -5.875 1.00 0.00 C ATOM 1114 CD GLN A 69 2.430 8.806 -5.425 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.220 9.739 -5.300 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.138 8.935 -5.216 1.00 0.00 N ATOM 0 H GLN A 69 2.307 6.134 -8.347 1.00 0.00 H new ATOM 0 HA GLN A 69 5.258 6.265 -8.118 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.946 7.786 -6.345 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.826 8.304 -7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.056 6.909 -6.323 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.211 6.867 -5.006 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.520 8.132 -5.332 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.754 9.838 -4.938 1.00 0.00 H new ATOM 1125 N ARG A 70 5.437 4.510 -6.393 1.00 0.00 N ATOM 1126 CA ARG A 70 5.556 3.384 -5.496 1.00 0.00 C ATOM 1127 C ARG A 70 5.163 3.770 -4.075 1.00 0.00 C ATOM 1128 O ARG A 70 5.555 4.828 -3.558 1.00 0.00 O ATOM 1129 CB ARG A 70 6.984 2.815 -5.516 1.00 0.00 C ATOM 1130 CG ARG A 70 8.035 3.776 -4.968 1.00 0.00 C ATOM 1131 CD ARG A 70 9.418 3.149 -4.941 1.00 0.00 C ATOM 1132 NE ARG A 70 10.395 4.021 -4.278 1.00 0.00 N ATOM 1133 CZ ARG A 70 11.648 3.668 -3.980 1.00 0.00 C ATOM 1134 NH1 ARG A 70 12.102 2.465 -4.314 1.00 0.00 N ATOM 1135 NH2 ARG A 70 12.444 4.524 -3.349 1.00 0.00 N ATOM 0 H ARG A 70 6.324 4.854 -6.761 1.00 0.00 H new ATOM 0 HA ARG A 70 4.870 2.612 -5.844 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.007 1.894 -4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.246 2.550 -6.540 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.057 4.677 -5.581 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.756 4.083 -3.960 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.374 2.191 -4.422 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.745 2.945 -5.960 1.00 0.00 H new ATOM 0 HE ARG A 70 10.096 4.963 -4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.493 1.807 -4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.060 2.200 -4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.098 5.449 -3.093 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.401 4.257 -3.120 1.00 0.00 H new ATOM 1149 N ILE A 71 4.358 2.948 -3.447 1.00 0.00 N ATOM 1150 CA ILE A 71 3.980 3.193 -2.082 1.00 0.00 C ATOM 1151 C ILE A 71 5.105 2.766 -1.156 1.00 0.00 C ATOM 1152 O ILE A 71 5.281 1.583 -0.872 1.00 0.00 O ATOM 1153 CB ILE A 71 2.679 2.448 -1.687 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.620 2.566 -2.796 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.138 3.014 -0.383 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.270 3.992 -3.172 1.00 0.00 C ATOM 0 H ILE A 71 3.955 2.107 -3.860 1.00 0.00 H new ATOM 0 HA ILE A 71 3.791 4.262 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 71 2.912 1.392 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.980 2.046 -3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.713 2.054 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.224 2.487 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.880 2.886 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.922 4.075 -0.509 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.517 3.986 -3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.877 4.513 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.164 4.504 -3.528 1.00 0.00 H new ATOM 1168 N ALA A 72 5.887 3.738 -0.715 1.00 0.00 N ATOM 1169 CA ALA A 72 7.000 3.497 0.184 1.00 0.00 C ATOM 1170 C ALA A 72 6.514 3.011 1.533 1.00 0.00 C ATOM 1171 O ALA A 72 5.334 3.160 1.877 1.00 0.00 O ATOM 1172 CB ALA A 72 7.801 4.768 0.360 1.00 0.00 C ATOM 0 H ALA A 72 5.766 4.718 -0.972 1.00 0.00 H new ATOM 0 HA ALA A 72 7.631 2.723 -0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.635 4.581 1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.183 5.094 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.162 5.546 0.778 1.00 0.00 H new ATOM 1178 N ASP A 73 7.426 2.460 2.319 1.00 0.00 N ATOM 1179 CA ASP A 73 7.100 1.948 3.645 1.00 0.00 C ATOM 1180 C ASP A 73 6.583 3.053 4.549 1.00 0.00 C ATOM 1181 O ASP A 73 5.820 2.812 5.483 1.00 0.00 O ATOM 1182 CB ASP A 73 8.319 1.280 4.294 1.00 0.00 C ATOM 1183 CG ASP A 73 9.451 2.251 4.556 1.00 0.00 C ATOM 1184 OD1 ASP A 73 10.291 2.439 3.649 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.508 2.832 5.662 1.00 0.00 O ATOM 0 H ASP A 73 8.407 2.355 2.060 1.00 0.00 H new ATOM 0 HA ASP A 73 6.315 1.203 3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.017 0.819 5.234 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.676 0.479 3.647 1.00 0.00 H new ATOM 1190 N ASN A 74 6.967 4.275 4.250 1.00 0.00 N ATOM 1191 CA ASN A 74 6.591 5.415 5.061 1.00 0.00 C ATOM 1192 C ASN A 74 5.477 6.214 4.402 1.00 0.00 C ATOM 1193 O ASN A 74 5.050 7.244 4.920 1.00 0.00 O ATOM 1194 CB ASN A 74 7.803 6.332 5.295 1.00 0.00 C ATOM 1195 CG ASN A 74 8.316 6.970 4.009 1.00 0.00 C ATOM 1196 OD1 ASN A 74 7.836 8.025 3.590 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.298 6.346 3.387 1.00 0.00 N ATOM 0 H ASN A 74 7.546 4.507 3.443 1.00 0.00 H new ATOM 0 HA ASN A 74 6.232 5.034 6.017 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.529 7.116 6.000 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.606 5.756 5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.686 6.735 2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.669 5.474 3.765 1.00 0.00 H new ATOM 1204 N HIS A 75 4.985 5.745 3.259 1.00 0.00 N ATOM 1205 CA HIS A 75 3.949 6.473 2.549 1.00 0.00 C ATOM 1206 C HIS A 75 2.602 6.315 3.223 1.00 0.00 C ATOM 1207 O HIS A 75 2.236 5.228 3.686 1.00 0.00 O ATOM 1208 CB HIS A 75 3.868 6.053 1.083 1.00 0.00 C ATOM 1209 CG HIS A 75 4.677 6.917 0.162 1.00 0.00 C ATOM 1210 ND1 HIS A 75 4.814 6.662 -1.189 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.378 8.057 0.395 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.557 7.600 -1.740 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.913 8.454 -0.803 1.00 0.00 N ATOM 0 H HIS A 75 5.284 4.877 2.813 1.00 0.00 H new ATOM 0 HA HIS A 75 4.223 7.528 2.580 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.208 5.021 0.991 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.826 6.075 0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.492 8.557 1.346 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.828 7.659 -2.784 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.494 9.280 -0.946 1.00 0.00 H new ATOM 1222 N THR A 76 1.864 7.402 3.275 1.00 0.00 N ATOM 1223 CA THR A 76 0.564 7.433 3.910 1.00 0.00 C ATOM 1224 C THR A 76 -0.429 8.127 2.993 1.00 0.00 C ATOM 1225 O THR A 76 -0.023 8.768 2.014 1.00 0.00 O ATOM 1226 CB THR A 76 0.647 8.240 5.222 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.985 9.591 4.924 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.704 7.676 6.124 1.00 0.00 C ATOM 0 H THR A 76 2.151 8.296 2.875 1.00 0.00 H new ATOM 0 HA THR A 76 0.246 6.411 4.115 1.00 0.00 H new ATOM 0 HB THR A 76 -0.321 8.186 5.721 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.619 9.925 5.592 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.747 8.259 7.044 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.464 6.640 6.362 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.671 7.718 5.622 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.741 8.013 3.269 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.755 8.726 2.506 1.00 0.00 C ATOM 1238 C PRO A 77 -2.540 10.240 2.563 1.00 0.00 C ATOM 1239 O PRO A 77 -2.803 10.952 1.595 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.078 8.338 3.181 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.692 7.760 4.500 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.339 7.152 4.304 1.00 0.00 C ATOM 0 HA PRO A 77 -2.729 8.465 1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.725 9.206 3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.629 7.614 2.580 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.666 8.530 5.271 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.414 7.010 4.823 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.755 7.160 5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.405 6.114 3.978 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.036 10.734 3.704 1.00 0.00 N ATOM 1251 CA LYS A 78 -1.768 12.157 3.860 1.00 0.00 C ATOM 1252 C LYS A 78 -0.502 12.548 3.103 1.00 0.00 C ATOM 1253 O LYS A 78 -0.364 13.676 2.633 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.628 12.532 5.345 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.370 12.001 6.016 1.00 0.00 C ATOM 1256 CD LYS A 78 0.373 13.086 6.778 1.00 0.00 C ATOM 1257 CE LYS A 78 1.146 14.005 5.842 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.960 14.998 6.589 1.00 0.00 N ATOM 0 H LYS A 78 -1.810 10.168 4.522 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.614 12.705 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.641 13.618 5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.498 12.157 5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.637 11.196 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.289 11.572 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.338 13.673 7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.062 12.626 7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.797 13.408 5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.448 14.527 5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.471 15.605 5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.336 15.584 7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.644 14.501 7.195 1.00 0.00 H new ATOM 1272 N GLU A 79 0.421 11.603 2.984 1.00 0.00 N ATOM 1273 CA GLU A 79 1.687 11.840 2.310 1.00 0.00 C ATOM 1274 C GLU A 79 1.460 11.905 0.816 1.00 0.00 C ATOM 1275 O GLU A 79 1.960 12.787 0.127 1.00 0.00 O ATOM 1276 CB GLU A 79 2.652 10.693 2.612 1.00 0.00 C ATOM 1277 CG GLU A 79 4.097 11.114 2.783 1.00 0.00 C ATOM 1278 CD GLU A 79 4.325 11.885 4.066 1.00 0.00 C ATOM 1279 OE1 GLU A 79 4.058 11.333 5.154 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.790 13.041 3.996 1.00 0.00 O ATOM 0 H GLU A 79 0.313 10.657 3.350 1.00 0.00 H new ATOM 0 HA GLU A 79 2.109 12.781 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.324 10.189 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.593 9.963 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.734 10.229 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.396 11.729 1.934 1.00 0.00 H new ATOM 1287 N LEU A 80 0.689 10.959 0.323 1.00 0.00 N ATOM 1288 CA LEU A 80 0.408 10.845 -1.091 1.00 0.00 C ATOM 1289 C LEU A 80 -0.715 11.783 -1.527 1.00 0.00 C ATOM 1290 O LEU A 80 -0.915 12.008 -2.718 1.00 0.00 O ATOM 1291 CB LEU A 80 0.038 9.403 -1.402 1.00 0.00 C ATOM 1292 CG LEU A 80 1.119 8.379 -1.069 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.549 6.982 -1.062 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.258 8.483 -2.056 1.00 0.00 C ATOM 0 H LEU A 80 0.238 10.245 0.895 1.00 0.00 H new ATOM 0 HA LEU A 80 1.300 11.135 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.867 9.148 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.202 9.325 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 80 1.502 8.593 -0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.337 6.269 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.241 6.915 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.138 6.752 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.023 7.747 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.886 8.294 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.689 9.483 -2.011 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.443 12.340 -0.568 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.530 13.251 -0.894 1.00 0.00 C ATOM 1308 C GLY A 81 -3.704 12.542 -1.547 1.00 0.00 C ATOM 1309 O GLY A 81 -4.290 13.039 -2.511 1.00 0.00 O ATOM 0 H GLY A 81 -1.303 12.179 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.869 13.748 0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.161 14.028 -1.563 1.00 0.00 H new ATOM 1313 N MET A 82 -4.050 11.379 -1.027 1.00 0.00 N ATOM 1314 CA MET A 82 -5.146 10.590 -1.573 1.00 0.00 C ATOM 1315 C MET A 82 -6.469 10.930 -0.902 1.00 0.00 C ATOM 1316 O MET A 82 -6.508 11.571 0.153 1.00 0.00 O ATOM 1317 CB MET A 82 -4.858 9.101 -1.417 1.00 0.00 C ATOM 1318 CG MET A 82 -3.589 8.657 -2.109 1.00 0.00 C ATOM 1319 SD MET A 82 -3.343 6.876 -2.054 1.00 0.00 S ATOM 1320 CE MET A 82 -3.144 6.615 -0.307 1.00 0.00 C ATOM 0 H MET A 82 -3.587 10.955 -0.223 1.00 0.00 H new ATOM 0 HA MET A 82 -5.229 10.834 -2.632 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.787 8.862 -0.356 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.698 8.533 -1.816 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.616 8.982 -3.149 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.736 9.150 -1.643 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.107 5.545 -0.101 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.217 7.081 0.027 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.986 7.058 0.225 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.553 10.486 -1.511 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.888 10.718 -0.991 1.00 0.00 C ATOM 1332 C GLU A 83 -9.466 9.420 -0.467 1.00 0.00 C ATOM 1333 O GLU A 83 -8.896 8.350 -0.680 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.796 11.274 -2.082 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.325 12.583 -2.673 1.00 0.00 C ATOM 1336 CD GLU A 83 -10.232 13.070 -3.773 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.273 13.686 -3.461 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -9.918 12.828 -4.951 1.00 0.00 O ATOM 0 H GLU A 83 -7.533 9.954 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.824 11.444 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.879 10.537 -2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.796 11.413 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.273 13.337 -1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.315 12.460 -3.065 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.592 9.494 0.212 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.218 8.301 0.735 1.00 0.00 C ATOM 1347 C GLU A 84 -11.969 7.539 -0.348 1.00 0.00 C ATOM 1348 O GLU A 84 -12.409 8.114 -1.348 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.115 8.608 1.953 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.082 9.777 1.783 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.200 9.505 0.801 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -15.059 8.649 1.094 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.240 10.164 -0.255 1.00 0.00 O ATOM 0 H GLU A 84 -11.088 10.362 0.413 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.420 7.649 1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.692 7.714 2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.474 8.812 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.514 10.023 2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.524 10.653 1.451 1.00 0.00 H new ATOM 1360 N GLU A 85 -12.048 6.225 -0.163 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.738 5.314 -1.079 1.00 0.00 C ATOM 1362 C GLU A 85 -11.927 5.160 -2.378 1.00 0.00 C ATOM 1363 O GLU A 85 -12.372 4.532 -3.348 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.177 5.810 -1.368 1.00 0.00 C ATOM 1365 CG GLU A 85 -15.076 4.799 -2.067 1.00 0.00 C ATOM 1366 CD GLU A 85 -15.368 3.587 -1.211 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.372 3.607 -0.459 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -14.605 2.604 -1.285 1.00 0.00 O ATOM 0 H GLU A 85 -11.629 5.753 0.638 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.819 4.334 -0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.643 6.098 -0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.119 6.709 -1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.015 5.281 -2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.602 4.478 -2.995 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.718 5.722 -2.386 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.855 5.657 -3.559 1.00 0.00 C ATOM 1377 C ASP A 86 -9.213 4.278 -3.677 1.00 0.00 C ATOM 1378 O ASP A 86 -9.426 3.396 -2.824 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.779 6.754 -3.519 1.00 0.00 C ATOM 1380 CG ASP A 86 -8.466 7.311 -4.903 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -8.073 6.528 -5.795 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -8.628 8.537 -5.107 1.00 0.00 O ATOM 0 H ASP A 86 -10.318 6.225 -1.594 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.474 5.827 -4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.114 7.564 -2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.868 6.350 -3.078 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.417 4.078 -4.711 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.835 2.775 -4.966 1.00 0.00 C ATOM 1389 C VAL A 87 -6.350 2.864 -5.286 1.00 0.00 C ATOM 1390 O VAL A 87 -5.890 3.775 -5.980 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.564 2.020 -6.120 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.058 1.928 -5.853 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.305 2.680 -7.467 1.00 0.00 C ATOM 0 H VAL A 87 -8.160 4.799 -5.385 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.963 2.210 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.157 1.009 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.542 1.397 -6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.229 1.389 -4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.476 2.932 -5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.828 2.129 -8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.667 3.708 -7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.235 2.677 -7.674 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.603 1.921 -4.761 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.187 1.810 -5.041 1.00 0.00 C ATOM 1405 C ILE A 88 -3.979 0.630 -5.968 1.00 0.00 C ATOM 1406 O ILE A 88 -4.649 -0.394 -5.831 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.327 1.630 -3.742 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.199 2.950 -2.962 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.939 1.089 -4.075 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.495 3.470 -2.390 1.00 0.00 C ATOM 0 H ILE A 88 -5.959 1.207 -4.126 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.855 2.738 -5.506 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.846 0.908 -3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.489 2.808 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.779 3.708 -3.623 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.363 0.974 -3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.034 0.121 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.427 1.785 -4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.309 4.403 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.204 3.649 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.909 2.735 -1.700 1.00 0.00 H new ATOM 1422 N GLU A 89 -3.050 0.747 -6.882 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.831 -0.277 -7.873 1.00 0.00 C ATOM 1424 C GLU A 89 -1.635 -1.145 -7.495 1.00 0.00 C ATOM 1425 O GLU A 89 -0.594 -0.651 -7.057 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.645 0.371 -9.240 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.366 -0.597 -10.360 1.00 0.00 C ATOM 1428 CD GLU A 89 -2.653 0.008 -11.709 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -2.084 1.076 -12.027 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -3.460 -0.581 -12.462 1.00 0.00 O ATOM 0 H GLU A 89 -2.426 1.550 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.702 -0.931 -7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.543 0.939 -9.483 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.823 1.084 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.323 -0.911 -10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.974 -1.492 -10.227 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.789 -2.438 -7.629 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.751 -3.371 -7.263 1.00 0.00 C ATOM 1439 C VAL A 90 -0.537 -4.433 -8.347 1.00 0.00 C ATOM 1440 O VAL A 90 -1.487 -4.951 -8.941 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.081 -4.053 -5.901 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.271 -5.312 -5.716 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -0.819 -3.100 -4.749 1.00 0.00 C ATOM 0 H VAL A 90 -2.636 -2.874 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 90 0.175 -2.805 -7.161 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.138 -4.318 -5.910 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.521 -5.768 -4.758 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.497 -6.012 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.791 -5.068 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.055 -3.594 -3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.231 -2.806 -4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.444 -2.214 -4.860 1.00 0.00 H new ATOM 1453 N TYR A 91 0.718 -4.746 -8.610 1.00 0.00 N ATOM 1454 CA TYR A 91 1.080 -5.769 -9.567 1.00 0.00 C ATOM 1455 C TYR A 91 1.894 -6.844 -8.872 1.00 0.00 C ATOM 1456 O TYR A 91 2.641 -6.555 -7.945 1.00 0.00 O ATOM 1457 CB TYR A 91 1.874 -5.174 -10.729 1.00 0.00 C ATOM 1458 CG TYR A 91 1.091 -4.192 -11.567 1.00 0.00 C ATOM 1459 CD1 TYR A 91 0.255 -4.632 -12.580 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.188 -2.827 -11.344 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.463 -3.743 -13.349 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.476 -1.928 -12.110 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.348 -2.393 -13.112 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.059 -1.502 -13.880 1.00 0.00 O ATOM 0 H TYR A 91 1.516 -4.295 -8.163 1.00 0.00 H new ATOM 0 HA TYR A 91 0.168 -6.208 -9.973 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.758 -4.675 -10.334 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.225 -5.984 -11.369 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.165 -5.691 -12.770 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.832 -2.462 -10.557 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.112 -4.104 -14.133 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.564 -0.867 -11.926 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.893 -1.921 -14.179 1.00 0.00 H new ATOM 1474 N GLN A 92 1.742 -8.081 -9.294 1.00 0.00 N ATOM 1475 CA GLN A 92 2.452 -9.181 -8.671 1.00 0.00 C ATOM 1476 C GLN A 92 3.080 -10.108 -9.714 1.00 0.00 C ATOM 1477 O GLN A 92 2.414 -10.560 -10.648 1.00 0.00 O ATOM 1478 CB GLN A 92 1.516 -9.971 -7.733 1.00 0.00 C ATOM 1479 CG GLN A 92 0.362 -10.683 -8.441 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.593 -11.388 -7.486 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -1.169 -12.419 -7.819 1.00 0.00 O ATOM 1482 NE2 GLN A 92 -0.796 -10.821 -6.311 1.00 0.00 N ATOM 0 H GLN A 92 1.133 -8.352 -10.066 1.00 0.00 H new ATOM 0 HA GLN A 92 3.262 -8.757 -8.077 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.105 -10.711 -7.191 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.104 -9.287 -6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.197 -9.956 -9.030 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.770 -11.413 -9.140 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.300 -9.964 -6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.448 -11.240 -5.648 1.00 0.00 H new