USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 587 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 39 LYS NZ :NH3+ -114:sc= 1.2 (180deg=0.678) USER MOD Set 1.2: A 41 THR OG1 : rot 33:sc= 0.299 USER MOD Single : A 23 LYS NZ :NH3+ -163:sc= 0.915 (180deg=0.766) USER MOD Single : A 25 LYS NZ :NH3+ -172:sc=-0.000464 (180deg=-0.0386) USER MOD Single : A 29 GLN :FLIP amide:sc= -1.9! C(o=-4.1!,f=-1.9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 103:sc= 1.25 USER MOD Single : A 35 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-1.6!) USER MOD Single : A 40 MET CE :methyl -153:sc= -0.873 (180deg=-1.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0245 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= 1.28 (180deg=1.16) USER MOD Single : A 46 LYS NZ :NH3+ -147:sc= -1.99! (180deg=-3.68!) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -1.65! (180deg=-3.3!) USER MOD Single : A 50 SER OG : rot 78:sc= 0.709 USER MOD Single : A 51 TYR OH : rot 143:sc= 0.0418 USER MOD Single : A 52 CYS SG : rot 65:sc= 0.0378 USER MOD Single : A 53 GLN : amide:sc= -0.0066 X(o=-0.0066,f=-0.0066) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.119 F(o=-2.3!,f=-0.12) USER MOD Single : A 59 MET CE :methyl -173:sc= -6.7! (180deg=-6.76!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.248 F(o=-2.9!,f=-0.25) USER MOD Single : A 61 SER OG : rot -170:sc= -0.294 USER MOD Single : A 69 GLN :FLIP amide:sc= -0.0206 F(o=-1.2!,f=-0.021) USER MOD Single : A 74 ASN : amide:sc= 1.13 K(o=1.1,f=-0.17) USER MOD Single : A 75 HIS : no HE2:sc= 0.378 K(o=0.38,f=-4.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0316 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 150:sc= -0.42 (180deg=-3.97!) USER MOD Single : A 91 TYR OH : rot -70:sc= 0.00511 USER MOD Single : A 92 GLN : amide:sc= -1.25 X(o=-1.2,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -7.771 7.038 9.446 1.00 0.00 N ATOM 312 CA ILE A 22 -8.777 6.578 8.526 1.00 0.00 C ATOM 313 C ILE A 22 -8.525 5.139 8.132 1.00 0.00 C ATOM 314 O ILE A 22 -7.416 4.632 8.254 1.00 0.00 O ATOM 315 CB ILE A 22 -8.788 7.420 7.246 1.00 0.00 C ATOM 316 CG1 ILE A 22 -7.391 7.457 6.633 1.00 0.00 C ATOM 317 CG2 ILE A 22 -9.298 8.826 7.529 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.401 7.644 5.145 1.00 0.00 C ATOM 0 HA ILE A 22 -9.736 6.669 9.036 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.468 6.959 6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.822 8.267 7.090 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.872 6.529 6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.297 9.406 6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.313 8.772 7.923 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.650 9.308 8.261 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.376 7.661 4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.942 6.821 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.892 8.586 4.900 1.00 0.00 H new ATOM 330 N LYS A 23 -9.546 4.492 7.633 1.00 0.00 N ATOM 331 CA LYS A 23 -9.434 3.121 7.196 1.00 0.00 C ATOM 332 C LYS A 23 -9.456 3.067 5.688 1.00 0.00 C ATOM 333 O LYS A 23 -10.122 3.860 5.052 1.00 0.00 O ATOM 334 CB LYS A 23 -10.585 2.289 7.751 1.00 0.00 C ATOM 335 CG LYS A 23 -11.951 2.753 7.271 1.00 0.00 C ATOM 336 CD LYS A 23 -13.016 1.726 7.557 1.00 0.00 C ATOM 337 CE LYS A 23 -14.338 2.105 6.916 1.00 0.00 C ATOM 338 NZ LYS A 23 -14.937 3.322 7.529 1.00 0.00 N ATOM 0 H LYS A 23 -10.475 4.896 7.518 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.494 2.712 7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.442 1.247 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.559 2.326 8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.210 3.692 7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.913 2.951 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.695 0.753 7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.148 1.627 8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.186 2.275 5.850 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.036 1.273 7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.944 3.379 7.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.844 3.271 8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.442 4.167 7.178 1.00 0.00 H new ATOM 352 N LEU A 24 -8.707 2.161 5.115 1.00 0.00 N ATOM 353 CA LEU A 24 -8.688 1.985 3.683 1.00 0.00 C ATOM 354 C LEU A 24 -8.568 0.506 3.355 1.00 0.00 C ATOM 355 O LEU A 24 -8.461 -0.338 4.261 1.00 0.00 O ATOM 356 CB LEU A 24 -7.542 2.770 3.022 1.00 0.00 C ATOM 357 CG LEU A 24 -7.348 4.212 3.481 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.458 4.270 4.714 1.00 0.00 C ATOM 359 CD2 LEU A 24 -6.767 5.041 2.366 1.00 0.00 C ATOM 0 H LEU A 24 -8.094 1.525 5.625 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.623 2.378 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.612 2.229 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.709 2.775 1.945 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.321 4.624 3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.333 5.307 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.919 3.703 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.484 3.841 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.634 6.068 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.802 4.629 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.444 5.028 1.512 1.00 0.00 H new ATOM 371 N LYS A 25 -8.561 0.183 2.081 1.00 0.00 N ATOM 372 CA LYS A 25 -8.517 -1.195 1.645 1.00 0.00 C ATOM 373 C LYS A 25 -7.789 -1.304 0.313 1.00 0.00 C ATOM 374 O LYS A 25 -7.917 -0.439 -0.549 1.00 0.00 O ATOM 375 CB LYS A 25 -9.960 -1.733 1.554 1.00 0.00 C ATOM 376 CG LYS A 25 -10.134 -3.101 0.890 1.00 0.00 C ATOM 377 CD LYS A 25 -10.307 -2.992 -0.620 1.00 0.00 C ATOM 378 CE LYS A 25 -11.424 -2.025 -0.990 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.725 -2.392 -0.375 1.00 0.00 N ATOM 0 H LYS A 25 -8.585 0.864 1.322 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.964 -1.800 2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.369 -1.788 2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.561 -1.008 1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.266 -3.723 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.002 -3.603 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.372 -2.658 -1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.526 -3.977 -1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.148 -1.019 -0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.533 -2.000 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.476 -1.786 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.940 -3.388 -0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.672 -2.259 0.655 1.00 0.00 H new ATOM 393 N VAL A 26 -7.025 -2.366 0.133 1.00 0.00 N ATOM 394 CA VAL A 26 -6.275 -2.546 -1.102 1.00 0.00 C ATOM 395 C VAL A 26 -6.398 -3.977 -1.591 1.00 0.00 C ATOM 396 O VAL A 26 -6.436 -4.921 -0.790 1.00 0.00 O ATOM 397 CB VAL A 26 -4.764 -2.171 -0.950 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.596 -0.883 -0.171 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.978 -3.280 -0.292 1.00 0.00 C ATOM 0 H VAL A 26 -6.906 -3.112 0.818 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.709 -1.865 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.370 -2.025 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.535 -0.648 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.105 -0.073 -0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.027 -1.000 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.933 -2.983 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.385 -3.475 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.048 -4.184 -0.897 1.00 0.00 H new ATOM 409 N ILE A 27 -6.518 -4.144 -2.893 1.00 0.00 N ATOM 410 CA ILE A 27 -6.617 -5.460 -3.498 1.00 0.00 C ATOM 411 C ILE A 27 -5.585 -5.594 -4.592 1.00 0.00 C ATOM 412 O ILE A 27 -5.390 -4.679 -5.405 1.00 0.00 O ATOM 413 CB ILE A 27 -8.018 -5.686 -4.101 1.00 0.00 C ATOM 414 CG1 ILE A 27 -9.081 -5.474 -3.035 1.00 0.00 C ATOM 415 CG2 ILE A 27 -8.135 -7.090 -4.692 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.453 -5.190 -3.593 1.00 0.00 C ATOM 0 H ILE A 27 -6.550 -3.374 -3.561 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.443 -6.205 -2.722 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.169 -4.965 -4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.132 -6.361 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.780 -4.645 -2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.132 -7.226 -5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.390 -7.217 -5.478 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.967 -7.830 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.157 -5.050 -2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.419 -4.285 -4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.776 -6.029 -4.210 1.00 0.00 H new ATOM 428 N GLY A 28 -4.918 -6.711 -4.622 1.00 0.00 N ATOM 429 CA GLY A 28 -3.918 -6.924 -5.619 1.00 0.00 C ATOM 430 C GLY A 28 -4.313 -7.976 -6.608 1.00 0.00 C ATOM 431 O GLY A 28 -5.316 -8.668 -6.431 1.00 0.00 O ATOM 0 H GLY A 28 -5.050 -7.484 -3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.728 -5.988 -6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.984 -7.214 -5.137 1.00 0.00 H new ATOM 435 N GLN A 29 -3.504 -8.130 -7.644 1.00 0.00 N ATOM 436 CA GLN A 29 -3.743 -9.122 -8.696 1.00 0.00 C ATOM 437 C GLN A 29 -3.601 -10.535 -8.123 1.00 0.00 C ATOM 438 O GLN A 29 -3.882 -11.534 -8.785 1.00 0.00 O ATOM 439 CB GLN A 29 -2.741 -8.914 -9.852 1.00 0.00 C ATOM 440 CG GLN A 29 -1.417 -9.679 -9.701 1.00 0.00 C ATOM 441 CD GLN A 29 -0.604 -9.309 -8.456 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.631 -8.048 -8.061 1.00 0.00 O flip ATOM 443 NE2 GLN A 29 0.067 -10.152 -7.876 1.00 0.00 N flip ATOM 0 H GLN A 29 -2.661 -7.573 -7.785 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.755 -8.998 -9.080 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.216 -9.218 -10.785 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.522 -7.850 -9.938 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.631 -10.747 -9.675 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.805 -9.498 -10.585 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.068 -11.118 -8.204 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.626 -9.889 -7.064 1.00 0.00 H new ATOM 452 N ASP A 30 -3.170 -10.592 -6.877 1.00 0.00 N ATOM 453 CA ASP A 30 -2.942 -11.828 -6.162 1.00 0.00 C ATOM 454 C ASP A 30 -4.261 -12.350 -5.585 1.00 0.00 C ATOM 455 O ASP A 30 -4.306 -13.401 -4.950 1.00 0.00 O ATOM 456 CB ASP A 30 -1.933 -11.554 -5.034 1.00 0.00 C ATOM 457 CG ASP A 30 -1.503 -12.798 -4.295 1.00 0.00 C ATOM 458 OD1 ASP A 30 -0.697 -13.573 -4.849 1.00 0.00 O ATOM 459 OD2 ASP A 30 -1.964 -13.002 -3.154 1.00 0.00 O ATOM 0 H ASP A 30 -2.965 -9.760 -6.324 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.544 -12.586 -6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.053 -11.069 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.374 -10.854 -4.325 1.00 0.00 H new ATOM 464 N SER A 31 -5.340 -11.578 -5.802 1.00 0.00 N ATOM 465 CA SER A 31 -6.688 -11.914 -5.315 1.00 0.00 C ATOM 466 C SER A 31 -6.774 -11.727 -3.805 1.00 0.00 C ATOM 467 O SER A 31 -7.786 -12.035 -3.173 1.00 0.00 O ATOM 468 CB SER A 31 -7.094 -13.344 -5.715 1.00 0.00 C ATOM 469 OG SER A 31 -7.077 -13.510 -7.127 1.00 0.00 O ATOM 0 H SER A 31 -5.301 -10.701 -6.322 1.00 0.00 H new ATOM 0 HA SER A 31 -7.393 -11.230 -5.788 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.413 -14.060 -5.254 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.091 -13.561 -5.333 1.00 0.00 H new ATOM 0 HG SER A 31 -7.337 -14.428 -7.352 1.00 0.00 H new ATOM 475 N SER A 32 -5.719 -11.189 -3.237 1.00 0.00 N ATOM 476 CA SER A 32 -5.649 -10.952 -1.826 1.00 0.00 C ATOM 477 C SER A 32 -5.957 -9.495 -1.536 1.00 0.00 C ATOM 478 O SER A 32 -5.777 -8.625 -2.398 1.00 0.00 O ATOM 479 CB SER A 32 -4.263 -11.332 -1.306 1.00 0.00 C ATOM 480 OG SER A 32 -4.019 -12.721 -1.477 1.00 0.00 O ATOM 0 H SER A 32 -4.884 -10.904 -3.750 1.00 0.00 H new ATOM 0 HA SER A 32 -6.388 -11.568 -1.314 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.502 -10.758 -1.835 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.183 -11.072 -0.250 1.00 0.00 H new ATOM 0 HG SER A 32 -3.430 -12.857 -2.248 1.00 0.00 H new ATOM 486 N GLU A 33 -6.421 -9.221 -0.337 1.00 0.00 N ATOM 487 CA GLU A 33 -6.794 -7.879 0.047 1.00 0.00 C ATOM 488 C GLU A 33 -6.456 -7.640 1.507 1.00 0.00 C ATOM 489 O GLU A 33 -6.313 -8.583 2.285 1.00 0.00 O ATOM 490 CB GLU A 33 -8.300 -7.647 -0.191 1.00 0.00 C ATOM 491 CG GLU A 33 -9.232 -8.426 0.749 1.00 0.00 C ATOM 492 CD GLU A 33 -9.118 -9.932 0.604 1.00 0.00 C ATOM 493 OE1 GLU A 33 -9.730 -10.489 -0.328 1.00 0.00 O ATOM 494 OE2 GLU A 33 -8.420 -10.566 1.427 1.00 0.00 O ATOM 0 H GLU A 33 -6.550 -9.919 0.396 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.232 -7.175 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.510 -6.582 -0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.536 -7.919 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.008 -8.150 1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.262 -8.127 0.556 1.00 0.00 H new ATOM 501 N ILE A 34 -6.299 -6.391 1.883 1.00 0.00 N ATOM 502 CA ILE A 34 -6.031 -6.055 3.261 1.00 0.00 C ATOM 503 C ILE A 34 -6.719 -4.746 3.642 1.00 0.00 C ATOM 504 O ILE A 34 -6.872 -3.838 2.811 1.00 0.00 O ATOM 505 CB ILE A 34 -4.505 -5.967 3.543 1.00 0.00 C ATOM 506 CG1 ILE A 34 -4.242 -5.805 5.034 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.878 -4.821 2.774 1.00 0.00 C ATOM 508 CD1 ILE A 34 -2.834 -6.126 5.432 1.00 0.00 C ATOM 0 H ILE A 34 -6.353 -5.591 1.252 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.438 -6.857 3.877 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.048 -6.898 3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.468 -4.779 5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.924 -6.451 5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.810 -4.780 2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.028 -4.975 1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.344 -3.883 3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.720 -5.989 6.507 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.609 -7.161 5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.147 -5.463 4.906 1.00 0.00 H new ATOM 520 N HIS A 35 -7.185 -4.670 4.875 1.00 0.00 N ATOM 521 CA HIS A 35 -7.808 -3.465 5.397 1.00 0.00 C ATOM 522 C HIS A 35 -6.918 -2.907 6.480 1.00 0.00 C ATOM 523 O HIS A 35 -6.371 -3.658 7.284 1.00 0.00 O ATOM 524 CB HIS A 35 -9.197 -3.755 5.993 1.00 0.00 C ATOM 525 CG HIS A 35 -10.247 -4.187 5.008 1.00 0.00 C ATOM 526 ND1 HIS A 35 -11.594 -4.112 5.274 1.00 0.00 N ATOM 527 CD2 HIS A 35 -10.147 -4.719 3.769 1.00 0.00 C ATOM 528 CE1 HIS A 35 -12.274 -4.577 4.249 1.00 0.00 C ATOM 529 NE2 HIS A 35 -11.422 -4.956 3.318 1.00 0.00 N ATOM 0 H HIS A 35 -7.143 -5.440 5.543 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.935 -2.755 4.580 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.093 -4.532 6.751 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.549 -2.858 6.502 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.232 -4.921 3.232 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.350 -4.638 4.182 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.668 -5.358 2.414 1.00 0.00 H new ATOM 538 N PHE A 36 -6.759 -1.612 6.514 1.00 0.00 N ATOM 539 CA PHE A 36 -5.904 -0.993 7.513 1.00 0.00 C ATOM 540 C PHE A 36 -6.404 0.377 7.887 1.00 0.00 C ATOM 541 O PHE A 36 -7.114 1.025 7.116 1.00 0.00 O ATOM 542 CB PHE A 36 -4.448 -0.906 7.015 1.00 0.00 C ATOM 543 CG PHE A 36 -4.309 -0.448 5.590 1.00 0.00 C ATOM 544 CD1 PHE A 36 -4.462 0.887 5.248 1.00 0.00 C ATOM 545 CD2 PHE A 36 -4.025 -1.362 4.594 1.00 0.00 C ATOM 546 CE1 PHE A 36 -4.335 1.294 3.938 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.899 -0.960 3.286 1.00 0.00 C ATOM 548 CZ PHE A 36 -4.053 0.372 2.956 1.00 0.00 C ATOM 0 H PHE A 36 -7.204 -0.960 5.868 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.932 -1.623 8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.896 -0.222 7.660 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.982 -1.886 7.117 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.683 1.614 6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.901 -2.405 4.846 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.457 2.336 3.682 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.680 -1.685 2.517 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.952 0.690 1.929 1.00 0.00 H new ATOM 584 N VAL A 38 -4.798 3.812 8.891 1.00 0.00 N ATOM 585 CA VAL A 38 -3.615 4.627 9.004 1.00 0.00 C ATOM 586 C VAL A 38 -3.991 6.033 9.427 1.00 0.00 C ATOM 587 O VAL A 38 -5.150 6.325 9.654 1.00 0.00 O ATOM 588 CB VAL A 38 -2.830 4.679 7.668 1.00 0.00 C ATOM 589 CG1 VAL A 38 -2.417 3.282 7.237 1.00 0.00 C ATOM 590 CG2 VAL A 38 -3.651 5.359 6.576 1.00 0.00 C ATOM 0 HA VAL A 38 -2.972 4.175 9.759 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.929 5.271 7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.867 3.339 6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.781 2.838 8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.306 2.666 7.101 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.077 5.382 5.650 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.575 4.803 6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.889 6.378 6.881 1.00 0.00 H new ATOM 600 N LYS A 39 -3.029 6.912 9.489 1.00 0.00 N ATOM 601 CA LYS A 39 -3.288 8.265 9.924 1.00 0.00 C ATOM 602 C LYS A 39 -3.451 9.161 8.714 1.00 0.00 C ATOM 603 O LYS A 39 -2.979 8.821 7.625 1.00 0.00 O ATOM 604 CB LYS A 39 -2.153 8.759 10.835 1.00 0.00 C ATOM 605 CG LYS A 39 -2.402 10.129 11.465 1.00 0.00 C ATOM 606 CD LYS A 39 -1.591 10.317 12.741 1.00 0.00 C ATOM 607 CE LYS A 39 -0.096 10.158 12.502 1.00 0.00 C ATOM 608 NZ LYS A 39 0.455 11.231 11.626 1.00 0.00 N ATOM 0 H LYS A 39 -2.057 6.720 9.245 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.212 8.292 10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.998 8.030 11.630 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.230 8.801 10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.143 10.911 10.751 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.463 10.240 11.688 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.788 11.307 13.152 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.917 9.592 13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.426 10.170 13.459 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.095 9.186 12.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.777 10.815 10.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.284 11.937 11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.257 11.690 12.102 1.00 0.00 H new ATOM 622 N MET A 40 -4.138 10.299 8.890 1.00 0.00 N ATOM 623 CA MET A 40 -4.340 11.276 7.810 1.00 0.00 C ATOM 624 C MET A 40 -3.023 11.559 7.103 1.00 0.00 C ATOM 625 O MET A 40 -2.970 11.750 5.887 1.00 0.00 O ATOM 626 CB MET A 40 -4.920 12.576 8.378 1.00 0.00 C ATOM 627 CG MET A 40 -5.219 13.664 7.339 1.00 0.00 C ATOM 628 SD MET A 40 -6.649 13.289 6.283 1.00 0.00 S ATOM 629 CE MET A 40 -5.901 12.330 4.958 1.00 0.00 C ATOM 0 H MET A 40 -4.566 10.567 9.776 1.00 0.00 H new ATOM 0 HA MET A 40 -5.043 10.860 7.089 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.841 12.342 8.911 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.221 12.978 9.111 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.396 14.608 7.855 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.340 13.805 6.710 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.494 12.440 4.050 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.888 12.689 4.776 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.867 11.279 5.244 1.00 0.00 H new ATOM 639 N THR A 41 -1.954 11.581 7.866 1.00 0.00 N ATOM 640 CA THR A 41 -0.655 11.785 7.318 1.00 0.00 C ATOM 641 C THR A 41 0.304 10.708 7.824 1.00 0.00 C ATOM 642 O THR A 41 0.483 10.534 9.030 1.00 0.00 O ATOM 643 CB THR A 41 -0.140 13.187 7.688 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.094 13.330 9.121 1.00 0.00 O ATOM 645 CG2 THR A 41 -1.077 14.239 7.121 1.00 0.00 C ATOM 0 H THR A 41 -1.972 11.457 8.878 1.00 0.00 H new ATOM 0 HA THR A 41 -0.712 11.713 6.232 1.00 0.00 H new ATOM 0 HB THR A 41 0.860 13.317 7.274 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.122 12.466 9.529 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.711 15.232 7.384 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.118 14.143 6.036 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.075 14.099 7.536 1.00 0.00 H new ATOM 653 N THR A 42 0.865 9.941 6.902 1.00 0.00 N ATOM 654 CA THR A 42 1.828 8.907 7.232 1.00 0.00 C ATOM 655 C THR A 42 2.401 8.316 5.945 1.00 0.00 C ATOM 656 O THR A 42 1.967 8.668 4.847 1.00 0.00 O ATOM 657 CB THR A 42 1.199 7.783 8.105 1.00 0.00 C ATOM 658 OG1 THR A 42 2.229 6.945 8.649 1.00 0.00 O ATOM 659 CG2 THR A 42 0.234 6.930 7.291 1.00 0.00 C ATOM 0 H THR A 42 0.664 10.019 5.905 1.00 0.00 H new ATOM 0 HA THR A 42 2.626 9.364 7.818 1.00 0.00 H new ATOM 0 HB THR A 42 0.646 8.260 8.915 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.823 6.242 9.198 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.190 6.153 7.927 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.567 7.558 6.902 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.768 6.468 6.461 1.00 0.00 H new ATOM 667 N HIS A 43 3.356 7.413 6.068 1.00 0.00 N ATOM 668 CA HIS A 43 3.955 6.781 4.906 1.00 0.00 C ATOM 669 C HIS A 43 3.302 5.433 4.645 1.00 0.00 C ATOM 670 O HIS A 43 3.276 4.564 5.513 1.00 0.00 O ATOM 671 CB HIS A 43 5.465 6.620 5.087 1.00 0.00 C ATOM 672 CG HIS A 43 6.200 7.925 5.134 1.00 0.00 C ATOM 673 ND1 HIS A 43 6.897 8.361 6.234 1.00 0.00 N ATOM 674 CD2 HIS A 43 6.339 8.894 4.197 1.00 0.00 C ATOM 675 CE1 HIS A 43 7.433 9.536 5.976 1.00 0.00 C ATOM 676 NE2 HIS A 43 7.110 9.884 4.747 1.00 0.00 N ATOM 0 H HIS A 43 3.734 7.100 6.962 1.00 0.00 H new ATOM 0 HA HIS A 43 3.787 7.425 4.042 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.657 6.070 6.008 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.860 6.018 4.268 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.920 8.887 3.202 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.036 10.117 6.658 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.388 10.748 4.282 1.00 0.00 H new ATOM 685 N LEU A 44 2.782 5.254 3.436 1.00 0.00 N ATOM 686 CA LEU A 44 2.064 4.026 3.054 1.00 0.00 C ATOM 687 C LEU A 44 2.960 2.778 3.080 1.00 0.00 C ATOM 688 O LEU A 44 2.480 1.645 2.970 1.00 0.00 O ATOM 689 CB LEU A 44 1.425 4.190 1.675 1.00 0.00 C ATOM 690 CG LEU A 44 0.408 5.331 1.547 1.00 0.00 C ATOM 691 CD1 LEU A 44 -0.250 5.303 0.184 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.642 5.258 2.649 1.00 0.00 C ATOM 0 H LEU A 44 2.841 5.948 2.690 1.00 0.00 H new ATOM 0 HA LEU A 44 1.285 3.872 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.217 4.350 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.931 3.255 1.410 1.00 0.00 H new ATOM 0 HG LEU A 44 0.944 6.274 1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.969 6.119 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.510 5.417 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.766 4.352 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.349 6.079 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.174 4.309 2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.155 5.334 3.621 1.00 0.00 H new ATOM 704 N LYS A 45 4.254 2.980 3.222 1.00 0.00 N ATOM 705 CA LYS A 45 5.199 1.880 3.282 1.00 0.00 C ATOM 706 C LYS A 45 4.844 0.933 4.438 1.00 0.00 C ATOM 707 O LYS A 45 5.089 -0.272 4.375 1.00 0.00 O ATOM 708 CB LYS A 45 6.623 2.437 3.435 1.00 0.00 C ATOM 709 CG LYS A 45 7.735 1.411 3.244 1.00 0.00 C ATOM 710 CD LYS A 45 8.094 0.684 4.533 1.00 0.00 C ATOM 711 CE LYS A 45 8.580 1.647 5.607 1.00 0.00 C ATOM 712 NZ LYS A 45 9.021 0.930 6.831 1.00 0.00 N ATOM 0 H LYS A 45 4.680 3.904 3.299 1.00 0.00 H new ATOM 0 HA LYS A 45 5.148 1.305 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.763 3.242 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.721 2.878 4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.426 0.682 2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.622 1.911 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.223 0.141 4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.869 -0.055 4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.406 2.241 5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.780 2.342 5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.085 1.602 7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.333 0.185 7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.953 0.500 6.665 1.00 0.00 H new ATOM 726 N LYS A 46 4.229 1.478 5.487 1.00 0.00 N ATOM 727 CA LYS A 46 3.831 0.677 6.636 1.00 0.00 C ATOM 728 C LYS A 46 2.753 -0.334 6.250 1.00 0.00 C ATOM 729 O LYS A 46 2.728 -1.451 6.762 1.00 0.00 O ATOM 730 CB LYS A 46 3.357 1.575 7.802 1.00 0.00 C ATOM 731 CG LYS A 46 2.116 2.428 7.504 1.00 0.00 C ATOM 732 CD LYS A 46 0.798 1.681 7.746 1.00 0.00 C ATOM 733 CE LYS A 46 0.460 1.524 9.228 1.00 0.00 C ATOM 734 NZ LYS A 46 1.336 0.543 9.923 1.00 0.00 N ATOM 0 H LYS A 46 3.998 2.469 5.562 1.00 0.00 H new ATOM 0 HA LYS A 46 4.705 0.122 6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.146 0.943 8.664 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.175 2.238 8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.139 3.322 8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.152 2.761 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.012 2.216 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.857 0.694 7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.547 2.493 9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.579 1.209 9.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.794 0.061 10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.683 -0.159 9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.144 1.040 10.349 1.00 0.00 H new ATOM 748 N LEU A 47 1.860 0.049 5.327 1.00 0.00 N ATOM 749 CA LEU A 47 0.795 -0.845 4.913 1.00 0.00 C ATOM 750 C LEU A 47 1.368 -1.931 4.036 1.00 0.00 C ATOM 751 O LEU A 47 0.873 -3.055 4.017 1.00 0.00 O ATOM 752 CB LEU A 47 -0.346 -0.087 4.206 1.00 0.00 C ATOM 753 CG LEU A 47 -0.120 0.314 2.749 1.00 0.00 C ATOM 754 CD1 LEU A 47 -0.567 -0.784 1.796 1.00 0.00 C ATOM 755 CD2 LEU A 47 -0.840 1.600 2.450 1.00 0.00 C ATOM 0 H LEU A 47 1.861 0.959 4.865 1.00 0.00 H new ATOM 0 HA LEU A 47 0.356 -1.301 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.242 -0.706 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.555 0.818 4.777 1.00 0.00 H new ATOM 0 HG LEU A 47 0.949 0.464 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.393 -0.467 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.000 -1.693 1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.629 -0.980 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.673 1.877 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.908 1.468 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.462 2.388 3.101 1.00 0.00 H new ATOM 767 N LYS A 48 2.430 -1.591 3.293 1.00 0.00 N ATOM 768 CA LYS A 48 3.132 -2.579 2.483 1.00 0.00 C ATOM 769 C LYS A 48 3.625 -3.699 3.368 1.00 0.00 C ATOM 770 O LYS A 48 3.403 -4.878 3.089 1.00 0.00 O ATOM 771 CB LYS A 48 4.326 -1.965 1.762 1.00 0.00 C ATOM 772 CG LYS A 48 4.054 -1.507 0.345 1.00 0.00 C ATOM 773 CD LYS A 48 3.210 -0.250 0.293 1.00 0.00 C ATOM 774 CE LYS A 48 3.238 0.347 -1.104 1.00 0.00 C ATOM 775 NZ LYS A 48 4.578 0.176 -1.744 1.00 0.00 N ATOM 0 H LYS A 48 2.814 -0.648 3.240 1.00 0.00 H new ATOM 0 HA LYS A 48 2.432 -2.957 1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.681 -1.113 2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.134 -2.696 1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.001 -1.326 -0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.547 -2.304 -0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.183 -0.481 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.584 0.477 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.475 -0.129 -1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.990 1.407 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.695 0.883 -2.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.323 0.305 -1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.649 -0.779 -2.150 1.00 0.00 H new ATOM 789 N GLU A 49 4.310 -3.329 4.446 1.00 0.00 N ATOM 790 CA GLU A 49 4.807 -4.296 5.404 1.00 0.00 C ATOM 791 C GLU A 49 3.675 -5.127 5.954 1.00 0.00 C ATOM 792 O GLU A 49 3.716 -6.342 5.902 1.00 0.00 O ATOM 793 CB GLU A 49 5.541 -3.599 6.538 1.00 0.00 C ATOM 794 CG GLU A 49 6.680 -2.739 6.053 1.00 0.00 C ATOM 795 CD GLU A 49 7.553 -2.231 7.176 1.00 0.00 C ATOM 796 OE1 GLU A 49 8.426 -2.989 7.640 1.00 0.00 O ATOM 797 OE2 GLU A 49 7.376 -1.064 7.597 1.00 0.00 O ATOM 0 H GLU A 49 4.532 -2.360 4.674 1.00 0.00 H new ATOM 0 HA GLU A 49 5.507 -4.954 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.837 -2.981 7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.926 -4.348 7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.291 -3.313 5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.278 -1.890 5.500 1.00 0.00 H new ATOM 804 N SER A 50 2.643 -4.467 6.452 1.00 0.00 N ATOM 805 CA SER A 50 1.476 -5.156 6.996 1.00 0.00 C ATOM 806 C SER A 50 0.891 -6.142 5.970 1.00 0.00 C ATOM 807 O SER A 50 0.385 -7.208 6.323 1.00 0.00 O ATOM 808 CB SER A 50 0.415 -4.138 7.417 1.00 0.00 C ATOM 809 OG SER A 50 0.960 -3.162 8.294 1.00 0.00 O ATOM 0 H SER A 50 2.586 -3.449 6.493 1.00 0.00 H new ATOM 0 HA SER A 50 1.791 -5.725 7.871 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.006 -3.649 6.533 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.411 -4.652 7.908 1.00 0.00 H new ATOM 0 HG SER A 50 1.474 -2.507 7.776 1.00 0.00 H new ATOM 815 N TYR A 51 0.986 -5.791 4.697 1.00 0.00 N ATOM 816 CA TYR A 51 0.487 -6.641 3.628 1.00 0.00 C ATOM 817 C TYR A 51 1.425 -7.842 3.435 1.00 0.00 C ATOM 818 O TYR A 51 0.987 -8.995 3.416 1.00 0.00 O ATOM 819 CB TYR A 51 0.367 -5.840 2.319 1.00 0.00 C ATOM 820 CG TYR A 51 -0.478 -6.503 1.236 1.00 0.00 C ATOM 821 CD1 TYR A 51 -0.208 -7.789 0.799 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.539 -5.829 0.651 1.00 0.00 C ATOM 823 CE1 TYR A 51 -0.965 -8.387 -0.187 1.00 0.00 C ATOM 824 CE2 TYR A 51 -2.305 -6.422 -0.342 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.009 -7.700 -0.753 1.00 0.00 C ATOM 826 OH TYR A 51 -2.761 -8.294 -1.739 1.00 0.00 O ATOM 0 H TYR A 51 1.407 -4.918 4.378 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.503 -7.006 3.900 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.060 -4.863 2.546 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.368 -5.666 1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.613 -8.335 1.240 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.773 -4.825 0.974 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.737 -9.391 -0.512 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.128 -5.884 -0.789 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.700 -8.032 -1.637 1.00 0.00 H new ATOM 836 N CYS A 52 2.717 -7.565 3.308 1.00 0.00 N ATOM 837 CA CYS A 52 3.724 -8.609 3.104 1.00 0.00 C ATOM 838 C CYS A 52 3.783 -9.561 4.299 1.00 0.00 C ATOM 839 O CYS A 52 3.958 -10.761 4.145 1.00 0.00 O ATOM 840 CB CYS A 52 5.108 -7.975 2.846 1.00 0.00 C ATOM 841 SG CYS A 52 6.474 -9.151 2.717 1.00 0.00 S ATOM 0 H CYS A 52 3.098 -6.619 3.343 1.00 0.00 H new ATOM 0 HA CYS A 52 3.436 -9.191 2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.059 -7.395 1.924 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.326 -7.275 3.652 1.00 0.00 H new ATOM 0 HG CYS A 52 6.299 -9.907 1.674 1.00 0.00 H new ATOM 847 N GLN A 53 3.611 -9.020 5.485 1.00 0.00 N ATOM 848 CA GLN A 53 3.661 -9.805 6.710 1.00 0.00 C ATOM 849 C GLN A 53 2.431 -10.694 6.858 1.00 0.00 C ATOM 850 O GLN A 53 2.535 -11.857 7.233 1.00 0.00 O ATOM 851 CB GLN A 53 3.775 -8.874 7.912 1.00 0.00 C ATOM 852 CG GLN A 53 5.025 -8.014 7.895 1.00 0.00 C ATOM 853 CD GLN A 53 6.288 -8.803 8.153 1.00 0.00 C ATOM 854 OE1 GLN A 53 6.927 -9.289 7.228 1.00 0.00 O ATOM 855 NE2 GLN A 53 6.653 -8.935 9.408 1.00 0.00 N ATOM 0 H GLN A 53 3.433 -8.027 5.633 1.00 0.00 H new ATOM 0 HA GLN A 53 4.536 -10.453 6.660 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.899 -8.227 7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.766 -9.469 8.825 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.105 -7.517 6.928 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.932 -7.232 8.648 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.092 -8.514 10.149 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.497 -9.458 9.641 1.00 0.00 H new ATOM 864 N ARG A 54 1.267 -10.152 6.540 1.00 0.00 N ATOM 865 CA ARG A 54 0.015 -10.871 6.724 1.00 0.00 C ATOM 866 C ARG A 54 -0.244 -11.869 5.606 1.00 0.00 C ATOM 867 O ARG A 54 -0.578 -13.029 5.855 1.00 0.00 O ATOM 868 CB ARG A 54 -1.134 -9.886 6.825 1.00 0.00 C ATOM 869 CG ARG A 54 -2.488 -10.537 7.002 1.00 0.00 C ATOM 870 CD ARG A 54 -3.524 -9.515 7.394 1.00 0.00 C ATOM 871 NE ARG A 54 -4.874 -10.073 7.389 1.00 0.00 N ATOM 872 CZ ARG A 54 -5.827 -9.757 8.269 1.00 0.00 C ATOM 873 NH1 ARG A 54 -5.571 -8.911 9.264 1.00 0.00 N ATOM 874 NH2 ARG A 54 -7.038 -10.293 8.156 1.00 0.00 N ATOM 0 H ARG A 54 1.162 -9.214 6.152 1.00 0.00 H new ATOM 0 HA ARG A 54 0.094 -11.439 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.952 -9.216 7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.153 -9.271 5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.786 -11.026 6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.427 -11.312 7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.295 -9.130 8.388 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.478 -8.671 6.706 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.105 -10.751 6.663 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.642 -8.500 9.358 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.304 -8.674 9.933 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.238 -10.945 7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.767 -10.052 8.828 1.00 0.00 H new ATOM 888 N GLN A 55 -0.087 -11.428 4.372 1.00 0.00 N ATOM 889 CA GLN A 55 -0.360 -12.279 3.223 1.00 0.00 C ATOM 890 C GLN A 55 0.853 -13.105 2.843 1.00 0.00 C ATOM 891 O GLN A 55 0.753 -14.058 2.070 1.00 0.00 O ATOM 892 CB GLN A 55 -0.837 -11.446 2.027 1.00 0.00 C ATOM 893 CG GLN A 55 -2.321 -11.075 2.072 1.00 0.00 C ATOM 894 CD GLN A 55 -2.676 -10.065 3.158 1.00 0.00 C ATOM 895 OE1 GLN A 55 -1.774 -9.145 3.437 1.00 0.00 O flip ATOM 896 NE2 GLN A 55 -3.762 -10.101 3.722 1.00 0.00 N flip ATOM 0 H GLN A 55 0.228 -10.487 4.137 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.157 -12.966 3.507 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.247 -10.531 1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.641 -12.002 1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.613 -10.669 1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.907 -11.981 2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.437 -10.827 3.482 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.991 -9.405 4.432 1.00 0.00 H new ATOM 905 N GLY A 56 1.999 -12.741 3.389 1.00 0.00 N ATOM 906 CA GLY A 56 3.225 -13.466 3.116 1.00 0.00 C ATOM 907 C GLY A 56 3.587 -13.467 1.642 1.00 0.00 C ATOM 908 O GLY A 56 3.947 -14.505 1.076 1.00 0.00 O ATOM 0 H GLY A 56 2.106 -11.949 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.040 -13.021 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.119 -14.495 3.461 1.00 0.00 H new ATOM 912 N VAL A 57 3.478 -12.313 1.009 1.00 0.00 N ATOM 913 CA VAL A 57 3.819 -12.173 -0.399 1.00 0.00 C ATOM 914 C VAL A 57 4.759 -10.984 -0.605 1.00 0.00 C ATOM 915 O VAL A 57 4.644 -9.966 0.086 1.00 0.00 O ATOM 916 CB VAL A 57 2.560 -12.012 -1.295 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.760 -13.303 -1.341 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.690 -10.869 -0.803 1.00 0.00 C ATOM 0 H VAL A 57 3.154 -11.452 1.450 1.00 0.00 H new ATOM 0 HA VAL A 57 4.323 -13.092 -0.699 1.00 0.00 H new ATOM 0 HB VAL A 57 2.896 -11.779 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.884 -13.166 -1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.380 -14.101 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.441 -13.570 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.815 -10.775 -1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.370 -11.070 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.260 -9.940 -0.829 1.00 0.00 H new ATOM 928 N PRO A 58 5.708 -11.110 -1.549 1.00 0.00 N ATOM 929 CA PRO A 58 6.696 -10.061 -1.842 1.00 0.00 C ATOM 930 C PRO A 58 6.052 -8.768 -2.353 1.00 0.00 C ATOM 931 O PRO A 58 5.542 -8.706 -3.470 1.00 0.00 O ATOM 932 CB PRO A 58 7.581 -10.691 -2.927 1.00 0.00 C ATOM 933 CG PRO A 58 6.756 -11.781 -3.516 1.00 0.00 C ATOM 934 CD PRO A 58 5.895 -12.293 -2.404 1.00 0.00 C ATOM 0 HA PRO A 58 7.244 -9.764 -0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.861 -9.957 -3.682 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.506 -11.082 -2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.148 -11.408 -4.340 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.387 -12.574 -3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.944 -12.676 -2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.378 -13.108 -1.864 1.00 0.00 H new ATOM 942 N MET A 59 6.079 -7.738 -1.525 1.00 0.00 N ATOM 943 CA MET A 59 5.492 -6.442 -1.855 1.00 0.00 C ATOM 944 C MET A 59 6.290 -5.671 -2.899 1.00 0.00 C ATOM 945 O MET A 59 5.856 -4.628 -3.376 1.00 0.00 O ATOM 946 CB MET A 59 5.281 -5.605 -0.593 1.00 0.00 C ATOM 947 CG MET A 59 4.025 -5.967 0.183 1.00 0.00 C ATOM 948 SD MET A 59 2.515 -5.725 -0.761 1.00 0.00 S ATOM 949 CE MET A 59 2.242 -7.370 -1.418 1.00 0.00 C ATOM 0 H MET A 59 6.509 -7.773 -0.601 1.00 0.00 H new ATOM 0 HA MET A 59 4.521 -6.647 -2.306 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.146 -5.724 0.059 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.234 -4.552 -0.871 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.087 -7.009 0.496 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.980 -5.364 1.090 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.412 -7.347 -2.124 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.142 -7.712 -1.928 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.006 -8.053 -0.602 1.00 0.00 H new ATOM 959 N ASN A 60 7.465 -6.159 -3.238 1.00 0.00 N ATOM 960 CA ASN A 60 8.310 -5.491 -4.235 1.00 0.00 C ATOM 961 C ASN A 60 7.942 -5.941 -5.648 1.00 0.00 C ATOM 962 O ASN A 60 8.031 -5.171 -6.606 1.00 0.00 O ATOM 963 CB ASN A 60 9.798 -5.768 -3.976 1.00 0.00 C ATOM 964 CG ASN A 60 10.328 -5.139 -2.686 1.00 0.00 C ATOM 965 OD1 ASN A 60 9.477 -5.019 -1.682 1.00 0.00 O flip ATOM 966 ND2 ASN A 60 11.501 -4.773 -2.601 1.00 0.00 N flip ATOM 0 H ASN A 60 7.865 -7.012 -2.846 1.00 0.00 H new ATOM 0 HA ASN A 60 8.134 -4.419 -4.146 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.956 -6.846 -3.935 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.380 -5.393 -4.818 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.128 -4.882 -3.398 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.845 -4.361 -1.734 1.00 0.00 H new ATOM 973 N SER A 61 7.558 -7.207 -5.773 1.00 0.00 N ATOM 974 CA SER A 61 7.150 -7.796 -7.050 1.00 0.00 C ATOM 975 C SER A 61 5.994 -7.020 -7.703 1.00 0.00 C ATOM 976 O SER A 61 5.848 -7.004 -8.925 1.00 0.00 O ATOM 977 CB SER A 61 6.748 -9.248 -6.826 1.00 0.00 C ATOM 978 OG SER A 61 7.737 -9.923 -6.071 1.00 0.00 O ATOM 0 H SER A 61 7.520 -7.859 -4.990 1.00 0.00 H new ATOM 0 HA SER A 61 7.997 -7.743 -7.734 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.791 -9.291 -6.305 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.611 -9.746 -7.786 1.00 0.00 H new ATOM 0 HG SER A 61 7.547 -10.884 -6.068 1.00 0.00 H new ATOM 984 N LEU A 62 5.173 -6.391 -6.895 1.00 0.00 N ATOM 985 CA LEU A 62 4.061 -5.624 -7.398 1.00 0.00 C ATOM 986 C LEU A 62 4.133 -4.169 -6.942 1.00 0.00 C ATOM 987 O LEU A 62 4.951 -3.807 -6.099 1.00 0.00 O ATOM 988 CB LEU A 62 2.698 -6.269 -7.018 1.00 0.00 C ATOM 989 CG LEU A 62 2.527 -6.883 -5.607 1.00 0.00 C ATOM 990 CD1 LEU A 62 3.162 -8.255 -5.522 1.00 0.00 C ATOM 991 CD2 LEU A 62 3.058 -5.965 -4.516 1.00 0.00 C ATOM 0 H LEU A 62 5.257 -6.397 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 62 4.132 -5.632 -8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.928 -5.508 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.491 -7.053 -7.746 1.00 0.00 H new ATOM 0 HG LEU A 62 1.456 -6.997 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.024 -8.658 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.692 -8.919 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.227 -8.177 -5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.917 -6.436 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.120 -5.781 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.518 -5.019 -4.542 1.00 0.00 H new ATOM 1003 N ARG A 63 3.283 -3.330 -7.503 1.00 0.00 N ATOM 1004 CA ARG A 63 3.249 -1.930 -7.127 1.00 0.00 C ATOM 1005 C ARG A 63 1.862 -1.536 -6.672 1.00 0.00 C ATOM 1006 O ARG A 63 0.875 -2.212 -6.978 1.00 0.00 O ATOM 1007 CB ARG A 63 3.718 -1.004 -8.270 1.00 0.00 C ATOM 1008 CG ARG A 63 2.905 -1.106 -9.553 1.00 0.00 C ATOM 1009 CD ARG A 63 3.382 -2.256 -10.420 1.00 0.00 C ATOM 1010 NE ARG A 63 2.571 -2.418 -11.633 1.00 0.00 N ATOM 1011 CZ ARG A 63 2.600 -1.599 -12.699 1.00 0.00 C ATOM 1012 NH1 ARG A 63 3.377 -0.516 -12.706 1.00 0.00 N ATOM 1013 NH2 ARG A 63 1.854 -1.874 -13.757 1.00 0.00 N ATOM 0 H ARG A 63 2.607 -3.594 -8.220 1.00 0.00 H new ATOM 0 HA ARG A 63 3.948 -1.805 -6.300 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.687 0.027 -7.918 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.759 -1.231 -8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.852 -1.245 -9.308 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.982 -0.172 -10.110 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.422 -2.088 -10.701 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.354 -3.179 -9.841 1.00 0.00 H new ATOM 0 HE ARG A 63 1.935 -3.215 -11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.959 -0.300 -11.896 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.390 0.097 -13.521 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.261 -2.704 -13.761 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.872 -1.256 -14.568 1.00 0.00 H new ATOM 1027 N PHE A 64 1.777 -0.415 -5.982 1.00 0.00 N ATOM 1028 CA PHE A 64 0.526 0.064 -5.436 1.00 0.00 C ATOM 1029 C PHE A 64 0.088 1.298 -6.179 1.00 0.00 C ATOM 1030 O PHE A 64 0.724 2.356 -6.091 1.00 0.00 O ATOM 1031 CB PHE A 64 0.666 0.361 -3.939 1.00 0.00 C ATOM 1032 CG PHE A 64 0.683 -0.866 -3.074 1.00 0.00 C ATOM 1033 CD1 PHE A 64 1.671 -1.826 -3.221 1.00 0.00 C ATOM 1034 CD2 PHE A 64 -0.286 -1.056 -2.105 1.00 0.00 C ATOM 1035 CE1 PHE A 64 1.691 -2.945 -2.421 1.00 0.00 C ATOM 1036 CE2 PHE A 64 -0.271 -2.177 -1.303 1.00 0.00 C ATOM 1037 CZ PHE A 64 0.717 -3.121 -1.461 1.00 0.00 C ATOM 0 H PHE A 64 2.575 0.188 -5.785 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.230 -0.712 -5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.586 0.922 -3.774 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.159 1.002 -3.627 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.435 -1.694 -3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.063 -0.317 -1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.468 -3.684 -2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.034 -2.314 -0.551 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.730 -4.000 -0.833 1.00 0.00 H new ATOM 1047 N LEU A 65 -0.971 1.167 -6.934 1.00 0.00 N ATOM 1048 CA LEU A 65 -1.481 2.265 -7.711 1.00 0.00 C ATOM 1049 C LEU A 65 -2.865 2.643 -7.257 1.00 0.00 C ATOM 1050 O LEU A 65 -3.754 1.807 -7.132 1.00 0.00 O ATOM 1051 CB LEU A 65 -1.499 1.916 -9.196 1.00 0.00 C ATOM 1052 CG LEU A 65 -0.184 1.367 -9.772 1.00 0.00 C ATOM 1053 CD1 LEU A 65 -0.319 1.095 -11.261 1.00 0.00 C ATOM 1054 CD2 LEU A 65 0.963 2.330 -9.508 1.00 0.00 C ATOM 0 H LEU A 65 -1.502 0.301 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.818 3.117 -7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.284 1.179 -9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.774 2.810 -9.756 1.00 0.00 H new ATOM 0 HG LEU A 65 0.037 0.425 -9.271 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.624 0.707 -11.647 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.108 0.362 -11.427 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.570 2.021 -11.779 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.884 1.922 -9.924 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.747 3.290 -9.977 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.081 2.470 -8.433 1.00 0.00 H new ATOM 1066 N PHE A 66 -3.046 3.899 -7.007 1.00 0.00 N ATOM 1067 CA PHE A 66 -4.330 4.416 -6.608 1.00 0.00 C ATOM 1068 C PHE A 66 -4.968 5.095 -7.781 1.00 0.00 C ATOM 1069 O PHE A 66 -4.574 6.186 -8.149 1.00 0.00 O ATOM 1070 CB PHE A 66 -4.194 5.401 -5.442 1.00 0.00 C ATOM 1071 CG PHE A 66 -5.445 6.192 -5.164 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -6.687 5.575 -5.161 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -5.378 7.553 -4.922 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -7.831 6.296 -4.921 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -6.523 8.283 -4.679 1.00 0.00 C ATOM 1076 CZ PHE A 66 -7.752 7.653 -4.679 1.00 0.00 C ATOM 0 H PHE A 66 -2.311 4.603 -7.072 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.953 3.587 -6.272 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.917 4.850 -4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.379 6.092 -5.656 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.755 4.514 -5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.419 8.049 -4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.791 5.802 -4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.459 9.344 -4.489 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.651 8.221 -4.490 1.00 0.00 H new ATOM 1086 N GLU A 67 -5.934 4.422 -8.396 1.00 0.00 N ATOM 1087 CA GLU A 67 -6.658 4.940 -9.565 1.00 0.00 C ATOM 1088 C GLU A 67 -5.695 5.509 -10.637 1.00 0.00 C ATOM 1089 O GLU A 67 -6.030 6.443 -11.372 1.00 0.00 O ATOM 1090 CB GLU A 67 -7.720 5.989 -9.143 1.00 0.00 C ATOM 1091 CG GLU A 67 -7.168 7.313 -8.638 1.00 0.00 C ATOM 1092 CD GLU A 67 -8.233 8.380 -8.530 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -8.899 8.472 -7.477 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -8.413 9.136 -9.509 1.00 0.00 O ATOM 0 H GLU A 67 -6.243 3.496 -8.101 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.181 4.100 -10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.368 6.187 -9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.345 5.554 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.708 7.163 -7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.382 7.656 -9.311 1.00 0.00 H new ATOM 1101 N GLY A 68 -4.505 4.914 -10.737 1.00 0.00 N ATOM 1102 CA GLY A 68 -3.514 5.363 -11.705 1.00 0.00 C ATOM 1103 C GLY A 68 -2.353 6.127 -11.067 1.00 0.00 C ATOM 1104 O GLY A 68 -1.375 6.456 -11.736 1.00 0.00 O ATOM 0 H GLY A 68 -4.209 4.125 -10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.121 4.499 -12.241 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.999 6.002 -12.443 1.00 0.00 H new ATOM 1108 N GLN A 69 -2.449 6.394 -9.772 1.00 0.00 N ATOM 1109 CA GLN A 69 -1.404 7.107 -9.041 1.00 0.00 C ATOM 1110 C GLN A 69 -0.300 6.140 -8.634 1.00 0.00 C ATOM 1111 O GLN A 69 -0.572 5.001 -8.273 1.00 0.00 O ATOM 1112 CB GLN A 69 -1.993 7.776 -7.784 1.00 0.00 C ATOM 1113 CG GLN A 69 -2.969 8.917 -8.067 1.00 0.00 C ATOM 1114 CD GLN A 69 -2.300 10.169 -8.616 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -1.071 10.422 -8.199 1.00 0.00 O flip ATOM 1116 NE2 GLN A 69 -2.898 10.913 -9.395 1.00 0.00 N flip ATOM 0 H GLN A 69 -3.248 6.125 -9.198 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.988 7.876 -9.692 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.504 7.018 -7.191 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.174 8.159 -7.175 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.719 8.574 -8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.496 9.170 -7.147 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.846 10.683 -9.694 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.445 11.759 -9.741 1.00 0.00 H new ATOM 1125 N ARG A 70 0.934 6.592 -8.678 1.00 0.00 N ATOM 1126 CA ARG A 70 2.070 5.769 -8.305 1.00 0.00 C ATOM 1127 C ARG A 70 2.404 5.958 -6.836 1.00 0.00 C ATOM 1128 O ARG A 70 2.737 7.060 -6.390 1.00 0.00 O ATOM 1129 CB ARG A 70 3.293 6.098 -9.182 1.00 0.00 C ATOM 1130 CG ARG A 70 4.633 5.596 -8.629 1.00 0.00 C ATOM 1131 CD ARG A 70 4.711 4.074 -8.560 1.00 0.00 C ATOM 1132 NE ARG A 70 4.795 3.462 -9.884 1.00 0.00 N ATOM 1133 CZ ARG A 70 5.745 2.592 -10.262 1.00 0.00 C ATOM 1134 NH1 ARG A 70 6.727 2.251 -9.424 1.00 0.00 N ATOM 1135 NH2 ARG A 70 5.717 2.077 -11.481 1.00 0.00 N ATOM 0 H ARG A 70 1.181 7.537 -8.972 1.00 0.00 H new ATOM 0 HA ARG A 70 1.803 4.725 -8.468 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.140 5.667 -10.171 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.351 7.179 -9.310 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.442 5.969 -9.257 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.787 6.009 -7.632 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.582 3.783 -7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.833 3.691 -8.040 1.00 0.00 H new ATOM 0 HE ARG A 70 4.082 3.713 -10.569 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.760 2.652 -8.487 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.444 1.589 -9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.975 2.341 -12.129 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.437 1.416 -11.772 1.00 0.00 H new ATOM 1149 N ILE A 71 2.293 4.894 -6.074 1.00 0.00 N ATOM 1150 CA ILE A 71 2.635 4.926 -4.670 1.00 0.00 C ATOM 1151 C ILE A 71 3.821 4.009 -4.406 1.00 0.00 C ATOM 1152 O ILE A 71 3.669 2.786 -4.289 1.00 0.00 O ATOM 1153 CB ILE A 71 1.454 4.498 -3.750 1.00 0.00 C ATOM 1154 CG1 ILE A 71 0.280 5.490 -3.832 1.00 0.00 C ATOM 1155 CG2 ILE A 71 1.928 4.368 -2.308 1.00 0.00 C ATOM 1156 CD1 ILE A 71 -0.573 5.356 -5.076 1.00 0.00 C ATOM 0 H ILE A 71 1.965 3.987 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 71 2.883 5.960 -4.432 1.00 0.00 H new ATOM 0 HB ILE A 71 1.098 3.530 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.355 5.355 -2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.675 6.505 -3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.092 4.068 -1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.715 3.616 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.317 5.327 -1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.375 6.094 -5.049 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.043 5.523 -5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.002 4.355 -5.117 1.00 0.00 H new ATOM 1168 N ALA A 72 5.006 4.572 -4.331 1.00 0.00 N ATOM 1169 CA ALA A 72 6.174 3.769 -4.071 1.00 0.00 C ATOM 1170 C ALA A 72 6.739 4.043 -2.690 1.00 0.00 C ATOM 1171 O ALA A 72 7.734 4.744 -2.534 1.00 0.00 O ATOM 1172 CB ALA A 72 7.228 3.989 -5.141 1.00 0.00 C ATOM 0 H ALA A 72 5.183 5.570 -4.445 1.00 0.00 H new ATOM 0 HA ALA A 72 5.870 2.723 -4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.101 3.373 -4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.822 3.713 -6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.520 5.039 -5.154 1.00 0.00 H new ATOM 1178 N ASP A 73 6.066 3.491 -1.686 1.00 0.00 N ATOM 1179 CA ASP A 73 6.505 3.521 -0.279 1.00 0.00 C ATOM 1180 C ASP A 73 6.928 4.899 0.217 1.00 0.00 C ATOM 1181 O ASP A 73 7.792 5.013 1.077 1.00 0.00 O ATOM 1182 CB ASP A 73 7.626 2.514 -0.072 1.00 0.00 C ATOM 1183 CG ASP A 73 7.165 1.131 -0.408 1.00 0.00 C ATOM 1184 OD1 ASP A 73 6.298 0.612 0.304 1.00 0.00 O ATOM 1185 OD2 ASP A 73 7.612 0.583 -1.425 1.00 0.00 O ATOM 0 H ASP A 73 5.183 2.999 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 73 5.635 3.252 0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.479 2.780 -0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.965 2.548 0.963 1.00 0.00 H new ATOM 1190 N ASN A 74 6.297 5.943 -0.277 1.00 0.00 N ATOM 1191 CA ASN A 74 6.637 7.294 0.165 1.00 0.00 C ATOM 1192 C ASN A 74 5.436 8.212 0.069 1.00 0.00 C ATOM 1193 O ASN A 74 5.315 9.173 0.825 1.00 0.00 O ATOM 1194 CB ASN A 74 7.827 7.876 -0.625 1.00 0.00 C ATOM 1195 CG ASN A 74 7.468 8.309 -2.034 1.00 0.00 C ATOM 1196 OD1 ASN A 74 7.088 9.459 -2.265 1.00 0.00 O ATOM 1197 ND2 ASN A 74 7.592 7.409 -2.978 1.00 0.00 N ATOM 0 H ASN A 74 5.555 5.893 -0.975 1.00 0.00 H new ATOM 0 HA ASN A 74 6.939 7.224 1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.229 8.732 -0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.619 7.129 -0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.371 7.650 -3.944 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.910 6.468 -2.747 1.00 0.00 H new ATOM 1204 N HIS A 75 4.539 7.915 -0.871 1.00 0.00 N ATOM 1205 CA HIS A 75 3.329 8.696 -1.046 1.00 0.00 C ATOM 1206 C HIS A 75 2.478 8.655 0.211 1.00 0.00 C ATOM 1207 O HIS A 75 2.467 7.659 0.945 1.00 0.00 O ATOM 1208 CB HIS A 75 2.526 8.178 -2.237 1.00 0.00 C ATOM 1209 CG HIS A 75 2.203 9.238 -3.234 1.00 0.00 C ATOM 1210 ND1 HIS A 75 2.447 9.109 -4.578 1.00 0.00 N ATOM 1211 CD2 HIS A 75 1.660 10.458 -3.072 1.00 0.00 C ATOM 1212 CE1 HIS A 75 2.071 10.204 -5.197 1.00 0.00 C ATOM 1213 NE2 HIS A 75 1.589 11.045 -4.309 1.00 0.00 N ATOM 0 H HIS A 75 4.634 7.135 -1.522 1.00 0.00 H new ATOM 0 HA HIS A 75 3.617 9.729 -1.238 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.089 7.385 -2.729 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.599 7.733 -1.876 1.00 0.00 H new ATOM 0 HD1 HIS A 75 2.857 8.290 -5.027 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.339 10.895 -2.138 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.145 10.384 -6.259 1.00 0.00 H new ATOM 1222 N THR A 76 1.770 9.728 0.462 1.00 0.00 N ATOM 1223 CA THR A 76 0.930 9.839 1.631 1.00 0.00 C ATOM 1224 C THR A 76 -0.535 9.947 1.219 1.00 0.00 C ATOM 1225 O THR A 76 -0.836 10.399 0.108 1.00 0.00 O ATOM 1226 CB THR A 76 1.311 11.084 2.460 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.207 12.252 1.645 1.00 0.00 O ATOM 1228 CG2 THR A 76 2.727 10.973 2.985 1.00 0.00 C ATOM 0 H THR A 76 1.759 10.552 -0.139 1.00 0.00 H new ATOM 0 HA THR A 76 1.077 8.945 2.237 1.00 0.00 H new ATOM 0 HB THR A 76 0.627 11.153 3.306 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.447 13.042 2.173 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.971 11.863 3.566 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.812 10.091 3.620 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.420 10.885 2.148 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.468 9.542 2.101 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.906 9.617 1.819 1.00 0.00 C ATOM 1238 C PRO A 77 -3.367 11.053 1.569 1.00 0.00 C ATOM 1239 O PRO A 77 -4.329 11.298 0.838 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.567 9.047 3.090 1.00 0.00 C ATOM 1241 CG PRO A 77 -2.510 9.099 4.142 1.00 0.00 C ATOM 1242 CD PRO A 77 -1.195 8.964 3.430 1.00 0.00 C ATOM 0 HA PRO A 77 -3.171 9.068 0.915 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.438 9.636 3.378 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.912 8.026 2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.558 10.037 4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.643 8.296 4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.400 9.502 3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.881 7.923 3.359 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.647 12.009 2.145 1.00 0.00 N ATOM 1251 CA LYS A 78 -2.991 13.417 2.009 1.00 0.00 C ATOM 1252 C LYS A 78 -2.529 13.947 0.656 1.00 0.00 C ATOM 1253 O LYS A 78 -3.187 14.779 0.039 1.00 0.00 O ATOM 1254 CB LYS A 78 -2.354 14.248 3.141 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.831 14.217 3.143 1.00 0.00 C ATOM 1256 CD LYS A 78 -0.237 15.385 3.913 1.00 0.00 C ATOM 1257 CE LYS A 78 1.276 15.266 4.006 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.864 16.325 4.858 1.00 0.00 N ATOM 0 H LYS A 78 -1.818 11.832 2.713 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.075 13.509 2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.687 15.282 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.717 13.878 4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.488 13.281 3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.467 14.238 2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.502 16.321 3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.665 15.419 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.539 14.288 4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.706 15.324 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.897 16.208 4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.636 17.258 4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.473 16.254 5.819 1.00 0.00 H new ATOM 1272 N GLU A 79 -1.400 13.435 0.185 1.00 0.00 N ATOM 1273 CA GLU A 79 -0.809 13.881 -1.064 1.00 0.00 C ATOM 1274 C GLU A 79 -1.525 13.249 -2.247 1.00 0.00 C ATOM 1275 O GLU A 79 -1.514 13.774 -3.358 1.00 0.00 O ATOM 1276 CB GLU A 79 0.679 13.521 -1.080 1.00 0.00 C ATOM 1277 CG GLU A 79 1.420 13.970 -2.328 1.00 0.00 C ATOM 1278 CD GLU A 79 2.903 13.703 -2.265 1.00 0.00 C ATOM 1279 OE1 GLU A 79 3.588 14.303 -1.416 1.00 0.00 O ATOM 1280 OE2 GLU A 79 3.394 12.888 -3.063 1.00 0.00 O ATOM 0 H GLU A 79 -0.872 12.702 0.658 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.915 14.963 -1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.158 13.967 -0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.780 12.440 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.002 13.459 -3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.255 15.037 -2.477 1.00 0.00 H new ATOM 1287 N LEU A 80 -2.156 12.117 -2.005 1.00 0.00 N ATOM 1288 CA LEU A 80 -2.881 11.412 -3.046 1.00 0.00 C ATOM 1289 C LEU A 80 -4.272 11.973 -3.221 1.00 0.00 C ATOM 1290 O LEU A 80 -4.949 11.676 -4.204 1.00 0.00 O ATOM 1291 CB LEU A 80 -2.973 9.941 -2.698 1.00 0.00 C ATOM 1292 CG LEU A 80 -1.662 9.188 -2.724 1.00 0.00 C ATOM 1293 CD1 LEU A 80 -1.793 7.896 -1.965 1.00 0.00 C ATOM 1294 CD2 LEU A 80 -1.239 8.921 -4.156 1.00 0.00 C ATOM 0 H LEU A 80 -2.182 11.663 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.338 11.540 -3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.408 9.846 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.662 9.462 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.896 9.797 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.843 7.361 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.063 8.108 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.567 7.281 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.294 8.378 -4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.002 8.325 -4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.116 9.868 -4.682 1.00 0.00 H new ATOM 1306 N GLY A 81 -4.715 12.783 -2.271 1.00 0.00 N ATOM 1307 CA GLY A 81 -6.036 13.349 -2.381 1.00 0.00 C ATOM 1308 C GLY A 81 -7.117 12.344 -2.035 1.00 0.00 C ATOM 1309 O GLY A 81 -8.279 12.517 -2.409 1.00 0.00 O ATOM 0 H GLY A 81 -4.190 13.053 -1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.117 14.211 -1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.191 13.712 -3.397 1.00 0.00 H new ATOM 1313 N MET A 82 -6.748 11.272 -1.345 1.00 0.00 N ATOM 1314 CA MET A 82 -7.705 10.224 -1.040 1.00 0.00 C ATOM 1315 C MET A 82 -8.198 10.328 0.403 1.00 0.00 C ATOM 1316 O MET A 82 -7.714 11.159 1.184 1.00 0.00 O ATOM 1317 CB MET A 82 -7.122 8.836 -1.337 1.00 0.00 C ATOM 1318 CG MET A 82 -6.026 8.376 -0.397 1.00 0.00 C ATOM 1319 SD MET A 82 -5.273 6.833 -0.956 1.00 0.00 S ATOM 1320 CE MET A 82 -4.324 6.370 0.479 1.00 0.00 C ATOM 0 H MET A 82 -5.805 11.109 -0.991 1.00 0.00 H new ATOM 0 HA MET A 82 -8.568 10.362 -1.691 1.00 0.00 H new ATOM 0 HB2 MET A 82 -7.932 8.107 -1.308 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.729 8.836 -2.354 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.261 9.149 -0.324 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.438 8.239 0.603 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.249 5.284 0.530 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.325 6.800 0.409 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.817 6.742 1.377 1.00 0.00 H new ATOM 1330 N GLU A 83 -9.159 9.490 0.756 1.00 0.00 N ATOM 1331 CA GLU A 83 -9.783 9.522 2.069 1.00 0.00 C ATOM 1332 C GLU A 83 -9.987 8.109 2.600 1.00 0.00 C ATOM 1333 O GLU A 83 -9.336 7.168 2.153 1.00 0.00 O ATOM 1334 CB GLU A 83 -11.122 10.263 1.982 1.00 0.00 C ATOM 1335 CG GLU A 83 -10.968 11.758 1.836 1.00 0.00 C ATOM 1336 CD GLU A 83 -12.276 12.456 1.574 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -12.982 12.788 2.550 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -12.606 12.686 0.397 1.00 0.00 O ATOM 0 H GLU A 83 -9.529 8.767 0.139 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.128 10.050 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.688 9.878 1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.706 10.050 2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.521 12.163 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.278 11.970 1.019 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.868 7.958 3.577 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.143 6.648 4.135 1.00 0.00 C ATOM 1347 C GLU A 84 -12.029 5.839 3.192 1.00 0.00 C ATOM 1348 O GLU A 84 -12.687 6.399 2.311 1.00 0.00 O ATOM 1349 CB GLU A 84 -11.794 6.756 5.517 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.239 7.210 5.501 1.00 0.00 C ATOM 1351 CD GLU A 84 -13.863 7.134 6.870 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.330 6.035 7.257 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -13.882 8.160 7.570 1.00 0.00 O ATOM 0 H GLU A 84 -11.400 8.721 3.996 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.191 6.130 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.738 5.784 6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.215 7.453 6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.294 8.234 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.807 6.590 4.807 1.00 0.00 H new ATOM 1360 N GLU A 85 -12.041 4.517 3.386 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.810 3.584 2.562 1.00 0.00 C ATOM 1362 C GLU A 85 -12.261 3.559 1.133 1.00 0.00 C ATOM 1363 O GLU A 85 -12.899 3.038 0.209 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.302 3.957 2.566 1.00 0.00 C ATOM 1365 CG GLU A 85 -15.224 2.828 2.143 1.00 0.00 C ATOM 1366 CD GLU A 85 -15.238 1.691 3.140 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.054 1.744 4.086 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -14.443 0.742 2.987 1.00 0.00 O ATOM 0 H GLU A 85 -11.511 4.061 4.128 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.711 2.585 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.581 4.284 3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.455 4.806 1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.236 3.215 2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.909 2.451 1.170 1.00 0.00 H new ATOM 1375 N ASP A 86 -11.059 4.092 0.955 1.00 0.00 N ATOM 1376 CA ASP A 86 -10.459 4.163 -0.353 1.00 0.00 C ATOM 1377 C ASP A 86 -9.894 2.833 -0.780 1.00 0.00 C ATOM 1378 O ASP A 86 -9.562 1.981 0.052 1.00 0.00 O ATOM 1379 CB ASP A 86 -9.386 5.230 -0.398 1.00 0.00 C ATOM 1380 CG ASP A 86 -9.770 6.354 -1.347 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -9.979 6.072 -2.547 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -9.891 7.517 -0.902 1.00 0.00 O ATOM 0 H ASP A 86 -10.487 4.479 1.706 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.248 4.431 -1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.228 5.633 0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.442 4.788 -0.717 1.00 0.00 H new ATOM 1387 N VAL A 87 -9.778 2.647 -2.078 1.00 0.00 N ATOM 1388 CA VAL A 87 -9.287 1.410 -2.622 1.00 0.00 C ATOM 1389 C VAL A 87 -7.999 1.623 -3.409 1.00 0.00 C ATOM 1390 O VAL A 87 -7.890 2.529 -4.239 1.00 0.00 O ATOM 1391 CB VAL A 87 -10.355 0.714 -3.520 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.787 1.617 -4.670 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -9.838 -0.622 -4.047 1.00 0.00 C ATOM 0 H VAL A 87 -10.021 3.348 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.072 0.755 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.231 0.521 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.532 1.102 -5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.217 2.535 -4.270 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.922 1.860 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.602 -1.087 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.938 -0.456 -4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.605 -1.278 -3.208 1.00 0.00 H new ATOM 1403 N ILE A 88 -7.019 0.797 -3.132 1.00 0.00 N ATOM 1404 CA ILE A 88 -5.764 0.847 -3.842 1.00 0.00 C ATOM 1405 C ILE A 88 -5.638 -0.407 -4.686 1.00 0.00 C ATOM 1406 O ILE A 88 -6.073 -1.491 -4.277 1.00 0.00 O ATOM 1407 CB ILE A 88 -4.550 0.952 -2.894 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -4.747 2.088 -1.868 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -3.274 1.169 -3.697 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.828 3.469 -2.476 1.00 0.00 C ATOM 0 H ILE A 88 -7.068 0.076 -2.413 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.764 1.743 -4.463 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.462 0.015 -2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.660 1.898 -1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.922 2.065 -1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.425 1.242 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.125 0.330 -4.377 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.358 2.091 -4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.967 4.207 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.905 3.684 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.671 3.514 -3.166 1.00 0.00 H new ATOM 1422 N GLU A 89 -5.059 -0.274 -5.852 1.00 0.00 N ATOM 1423 CA GLU A 89 -4.945 -1.376 -6.772 1.00 0.00 C ATOM 1424 C GLU A 89 -3.493 -1.812 -6.895 1.00 0.00 C ATOM 1425 O GLU A 89 -2.612 -1.014 -7.211 1.00 0.00 O ATOM 1426 CB GLU A 89 -5.506 -0.958 -8.121 1.00 0.00 C ATOM 1427 CG GLU A 89 -6.810 -0.189 -7.993 1.00 0.00 C ATOM 1428 CD GLU A 89 -7.511 0.016 -9.310 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -8.023 -0.973 -9.870 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -7.565 1.169 -9.788 1.00 0.00 O ATOM 0 H GLU A 89 -4.654 0.599 -6.190 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.516 -2.226 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.773 -0.341 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.669 -1.844 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.475 -0.724 -7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.608 0.782 -7.541 1.00 0.00 H new ATOM 1437 N VAL A 90 -3.237 -3.073 -6.634 1.00 0.00 N ATOM 1438 CA VAL A 90 -1.885 -3.590 -6.665 1.00 0.00 C ATOM 1439 C VAL A 90 -1.645 -4.442 -7.903 1.00 0.00 C ATOM 1440 O VAL A 90 -2.167 -5.556 -8.032 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.559 -4.401 -5.400 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.146 -4.926 -5.451 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.762 -3.553 -4.166 1.00 0.00 C ATOM 0 H VAL A 90 -3.949 -3.764 -6.397 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.219 -2.728 -6.701 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.238 -5.253 -5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.063 -5.497 -4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.029 -5.571 -6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.550 -4.090 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.527 -4.140 -3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.106 -2.684 -4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.800 -3.222 -4.118 1.00 0.00 H new ATOM 1453 N TYR A 91 -0.836 -3.929 -8.800 1.00 0.00 N ATOM 1454 CA TYR A 91 -0.546 -4.606 -10.053 1.00 0.00 C ATOM 1455 C TYR A 91 0.812 -5.273 -9.993 1.00 0.00 C ATOM 1456 O TYR A 91 1.762 -4.699 -9.473 1.00 0.00 O ATOM 1457 CB TYR A 91 -0.570 -3.608 -11.205 1.00 0.00 C ATOM 1458 CG TYR A 91 -1.905 -2.947 -11.427 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -2.255 -1.802 -10.727 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.812 -3.459 -12.343 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.466 -1.185 -10.933 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -4.030 -2.847 -12.553 1.00 0.00 C ATOM 1463 CZ TYR A 91 -4.352 -1.711 -11.846 1.00 0.00 C ATOM 1464 OH TYR A 91 -5.562 -1.095 -12.055 1.00 0.00 O ATOM 0 H TYR A 91 -0.359 -3.034 -8.688 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.309 -5.367 -10.216 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.177 -2.837 -11.017 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -0.275 -4.121 -12.120 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.564 -1.388 -10.008 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.561 -4.350 -12.900 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.721 -0.292 -10.381 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.727 -3.257 -13.268 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.129 -1.211 -11.264 1.00 0.00 H new ATOM 1474 N GLN A 92 0.914 -6.474 -10.533 1.00 0.00 N ATOM 1475 CA GLN A 92 2.176 -7.205 -10.533 1.00 0.00 C ATOM 1476 C GLN A 92 3.035 -6.718 -11.677 1.00 0.00 C ATOM 1477 O GLN A 92 2.623 -6.763 -12.840 1.00 0.00 O ATOM 1478 CB GLN A 92 1.921 -8.718 -10.659 1.00 0.00 C ATOM 1479 CG GLN A 92 3.018 -9.617 -10.072 1.00 0.00 C ATOM 1480 CD GLN A 92 4.342 -9.555 -10.822 1.00 0.00 C ATOM 1481 OE1 GLN A 92 4.381 -9.329 -12.032 1.00 0.00 O ATOM 1482 NE2 GLN A 92 5.423 -9.768 -10.108 1.00 0.00 N ATOM 0 H GLN A 92 0.140 -6.967 -10.978 1.00 0.00 H new ATOM 0 HA GLN A 92 2.695 -7.026 -9.591 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.978 -8.954 -10.166 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.799 -8.963 -11.714 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.188 -9.333 -9.033 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.664 -10.648 -10.067 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.346 -9.952 -9.108 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.340 -9.750 -10.554 1.00 0.00 H new ATOM 1491 N GLU A 93 4.216 -6.241 -11.353 1.00 0.00 N ATOM 1492 CA GLU A 93 5.155 -5.737 -12.333 1.00 0.00 C ATOM 1493 C GLU A 93 6.413 -5.314 -11.633 1.00 0.00 C ATOM 1494 O GLU A 93 6.364 -4.622 -10.611 1.00 0.00 O ATOM 1495 CB GLU A 93 4.571 -4.556 -13.122 1.00 0.00 C ATOM 1496 CG GLU A 93 5.495 -4.006 -14.200 1.00 0.00 C ATOM 1497 CD GLU A 93 5.853 -5.045 -15.242 1.00 0.00 C ATOM 1498 OE1 GLU A 93 6.749 -5.874 -14.979 1.00 0.00 O ATOM 1499 OE2 GLU A 93 5.243 -5.039 -16.331 1.00 0.00 O ATOM 0 H GLU A 93 4.556 -6.191 -10.393 1.00 0.00 H new ATOM 0 HA GLU A 93 5.371 -6.533 -13.046 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.637 -4.871 -13.587 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.326 -3.754 -12.425 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.015 -3.158 -14.688 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.408 -3.632 -13.736 1.00 0.00 H new