USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 600 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 52 CYS SG : rot 80:sc= -3.41! USER MOD Set 1.2: A 59 MET CE :methyl 167:sc= -0.0101 (180deg=-0.29) USER MOD Set 2.1: A 42 THR OG1 : rot 130:sc= 0 USER MOD Set 2.2: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 41 THR OG1 : rot -40:sc= 0.382 USER MOD Set 3.2: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= 2.5 (180deg=2.25) USER MOD Single : A 25 LYS NZ :NH3+ -155:sc= -0.739 (180deg=-1.9!) USER MOD Single : A 29 GLN : amide:sc= -1.72 K(o=-1.7,f=-4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 160:sc= -0.058 USER MOD Single : A 35 HIS : no HD1:sc= -2.5! C(o=-2.5!,f=-2.6!) USER MOD Single : A 37 LYS NZ :NH3+ -172:sc=-0.00685 (180deg=-0.0954) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -169:sc= -2.79 (180deg=-3.31) USER MOD Single : A 43 HIS : no HD1:sc= -0.155 X(o=-0.16,f=-0.011) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.19) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 1.06 (180deg=0.846) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 27:sc= -2.53! USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.25 F(o=-3.2!,f=-1.2) USER MOD Single : A 60 ASN : amide:sc= -1.04 K(o=-1,f=-2.7!) USER MOD Single : A 61 SER OG : rot -173:sc= -2! USER MOD Single : A 69 GLN :FLIP amide:sc= -1.26 F(o=-2!,f=-1.3) USER MOD Single : A 74 ASN : amide:sc= -0.0445 X(o=-0.044,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.93! C(o=-1.9!,f=-3.9!) USER MOD Single : A 76 THR OG1 : rot -120:sc= -0.23 USER MOD Single : A 82 MET CE :methyl 152:sc= -1.15 (180deg=-3.12) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.431 K(o=0.43,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -4.294 9.438 7.112 1.00 0.00 N ATOM 312 CA ILE A 22 -5.482 8.903 6.508 1.00 0.00 C ATOM 313 C ILE A 22 -5.428 7.390 6.524 1.00 0.00 C ATOM 314 O ILE A 22 -4.413 6.790 6.877 1.00 0.00 O ATOM 315 CB ILE A 22 -5.682 9.410 5.062 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.647 8.796 4.131 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.602 10.930 5.022 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.778 9.239 2.689 1.00 0.00 C ATOM 0 HA ILE A 22 -6.333 9.250 7.094 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.671 9.104 4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.651 9.054 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.731 7.710 4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.744 11.275 3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.380 11.352 5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.625 11.252 5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.005 8.758 2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.760 8.957 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.663 10.321 2.629 1.00 0.00 H new ATOM 330 N LYS A 23 -6.510 6.773 6.160 1.00 0.00 N ATOM 331 CA LYS A 23 -6.598 5.330 6.165 1.00 0.00 C ATOM 332 C LYS A 23 -6.848 4.846 4.763 1.00 0.00 C ATOM 333 O LYS A 23 -7.576 5.477 4.020 1.00 0.00 O ATOM 334 CB LYS A 23 -7.757 4.890 7.056 1.00 0.00 C ATOM 335 CG LYS A 23 -7.764 5.536 8.431 1.00 0.00 C ATOM 336 CD LYS A 23 -9.179 5.902 8.858 1.00 0.00 C ATOM 337 CE LYS A 23 -9.735 7.043 8.011 1.00 0.00 C ATOM 338 NZ LYS A 23 -11.156 7.320 8.311 1.00 0.00 N ATOM 0 H LYS A 23 -7.359 7.246 5.851 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.666 4.911 6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.696 5.122 6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.718 3.807 7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.326 4.853 9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.142 6.431 8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.826 5.030 8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.181 6.192 9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.146 7.943 8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.630 6.794 6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.403 8.272 7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.755 6.617 7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.311 7.266 9.338 1.00 0.00 H new ATOM 352 N LEU A 24 -6.230 3.763 4.379 1.00 0.00 N ATOM 353 CA LEU A 24 -6.483 3.197 3.072 1.00 0.00 C ATOM 354 C LEU A 24 -6.611 1.699 3.153 1.00 0.00 C ATOM 355 O LEU A 24 -6.193 1.066 4.139 1.00 0.00 O ATOM 356 CB LEU A 24 -5.405 3.581 2.047 1.00 0.00 C ATOM 357 CG LEU A 24 -5.334 5.056 1.654 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.388 5.795 2.561 1.00 0.00 C ATOM 359 CD2 LEU A 24 -4.916 5.209 0.202 1.00 0.00 C ATOM 0 H LEU A 24 -5.551 3.254 4.944 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.427 3.619 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.434 3.287 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.569 2.994 1.143 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.328 5.489 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.348 6.844 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.737 5.719 3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.392 5.358 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.873 6.267 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.934 4.760 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.642 4.710 -0.440 1.00 0.00 H new ATOM 371 N LYS A 25 -7.186 1.124 2.129 1.00 0.00 N ATOM 372 CA LYS A 25 -7.375 -0.297 2.069 1.00 0.00 C ATOM 373 C LYS A 25 -6.982 -0.823 0.710 1.00 0.00 C ATOM 374 O LYS A 25 -7.175 -0.169 -0.306 1.00 0.00 O ATOM 375 CB LYS A 25 -8.832 -0.655 2.384 1.00 0.00 C ATOM 376 CG LYS A 25 -9.117 -2.150 2.393 1.00 0.00 C ATOM 377 CD LYS A 25 -9.996 -2.569 1.230 1.00 0.00 C ATOM 378 CE LYS A 25 -11.396 -1.975 1.362 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.306 -2.385 0.261 1.00 0.00 N ATOM 0 H LYS A 25 -7.535 1.630 1.315 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.735 -0.765 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.094 -0.240 3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.479 -0.177 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.176 -2.698 2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.603 -2.421 3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.545 -2.243 0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.060 -3.656 1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.827 -2.282 2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.323 -0.888 1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.054 -1.672 0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.766 -2.467 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.736 -3.304 0.490 1.00 0.00 H new ATOM 393 N VAL A 26 -6.410 -1.991 0.695 1.00 0.00 N ATOM 394 CA VAL A 26 -6.009 -2.630 -0.531 1.00 0.00 C ATOM 395 C VAL A 26 -6.820 -3.884 -0.758 1.00 0.00 C ATOM 396 O VAL A 26 -7.133 -4.609 0.187 1.00 0.00 O ATOM 397 CB VAL A 26 -4.485 -2.967 -0.510 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.194 -4.327 -1.134 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.711 -1.888 -1.236 1.00 0.00 C ATOM 0 H VAL A 26 -6.206 -2.533 1.535 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.194 -1.938 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.169 -3.009 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.122 -4.522 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.722 -5.102 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.529 -4.331 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.648 -2.128 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.052 -1.828 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.875 -0.929 -0.744 1.00 0.00 H new ATOM 409 N ILE A 27 -7.187 -4.133 -1.998 1.00 0.00 N ATOM 410 CA ILE A 27 -7.877 -5.348 -2.340 1.00 0.00 C ATOM 411 C ILE A 27 -6.959 -6.196 -3.176 1.00 0.00 C ATOM 412 O ILE A 27 -6.758 -5.932 -4.375 1.00 0.00 O ATOM 413 CB ILE A 27 -9.189 -5.095 -3.121 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.193 -4.333 -2.251 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.789 -6.426 -3.594 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.710 -5.133 -1.072 1.00 0.00 C ATOM 0 H ILE A 27 -7.016 -3.505 -2.784 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.151 -5.849 -1.411 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.962 -4.485 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.722 -3.422 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.037 -4.027 -2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.712 -6.235 -4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.078 -6.934 -4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.004 -7.056 -2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.416 -4.528 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.211 -6.031 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -9.876 -5.416 -0.431 1.00 0.00 H new ATOM 428 N GLY A 28 -6.323 -7.167 -2.544 1.00 0.00 N ATOM 429 CA GLY A 28 -5.445 -8.038 -3.249 1.00 0.00 C ATOM 430 C GLY A 28 -6.142 -8.911 -4.255 1.00 0.00 C ATOM 431 O GLY A 28 -7.357 -9.088 -4.221 1.00 0.00 O ATOM 0 H GLY A 28 -6.408 -7.359 -1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.689 -7.442 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.922 -8.671 -2.532 1.00 0.00 H new ATOM 435 N GLN A 29 -5.357 -9.479 -5.134 1.00 0.00 N ATOM 436 CA GLN A 29 -5.827 -10.400 -6.170 1.00 0.00 C ATOM 437 C GLN A 29 -6.453 -11.646 -5.537 1.00 0.00 C ATOM 438 O GLN A 29 -7.284 -12.330 -6.134 1.00 0.00 O ATOM 439 CB GLN A 29 -4.643 -10.792 -7.094 1.00 0.00 C ATOM 440 CG GLN A 29 -3.264 -10.478 -6.495 1.00 0.00 C ATOM 441 CD GLN A 29 -3.036 -11.160 -5.156 1.00 0.00 C ATOM 442 OE1 GLN A 29 -3.405 -12.305 -4.959 1.00 0.00 O ATOM 443 NE2 GLN A 29 -2.503 -10.427 -4.205 1.00 0.00 N ATOM 0 H GLN A 29 -4.350 -9.319 -5.161 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.593 -9.904 -6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.701 -11.859 -7.312 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.745 -10.267 -8.044 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.489 -10.792 -7.194 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.164 -9.400 -6.371 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.205 -9.472 -4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.387 -10.813 -3.268 1.00 0.00 H new ATOM 452 N ASP A 30 -6.047 -11.920 -4.310 1.00 0.00 N ATOM 453 CA ASP A 30 -6.540 -13.049 -3.542 1.00 0.00 C ATOM 454 C ASP A 30 -7.743 -12.611 -2.704 1.00 0.00 C ATOM 455 O ASP A 30 -8.196 -13.322 -1.818 1.00 0.00 O ATOM 456 CB ASP A 30 -5.406 -13.575 -2.640 1.00 0.00 C ATOM 457 CG ASP A 30 -5.734 -14.878 -1.935 1.00 0.00 C ATOM 458 OD1 ASP A 30 -5.721 -15.939 -2.597 1.00 0.00 O ATOM 459 OD2 ASP A 30 -5.976 -14.854 -0.716 1.00 0.00 O ATOM 0 H ASP A 30 -5.357 -11.357 -3.813 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.860 -13.849 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.510 -13.716 -3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.170 -12.818 -1.892 1.00 0.00 H new ATOM 464 N SER A 31 -8.252 -11.405 -3.003 1.00 0.00 N ATOM 465 CA SER A 31 -9.395 -10.815 -2.294 1.00 0.00 C ATOM 466 C SER A 31 -8.993 -10.422 -0.875 1.00 0.00 C ATOM 467 O SER A 31 -9.829 -10.165 -0.014 1.00 0.00 O ATOM 468 CB SER A 31 -10.602 -11.772 -2.290 1.00 0.00 C ATOM 469 OG SER A 31 -10.993 -12.108 -3.621 1.00 0.00 O ATOM 0 H SER A 31 -7.881 -10.812 -3.745 1.00 0.00 H new ATOM 0 HA SER A 31 -9.699 -9.912 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.349 -12.679 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.438 -11.306 -1.768 1.00 0.00 H new ATOM 0 HG SER A 31 -11.760 -12.718 -3.593 1.00 0.00 H new ATOM 475 N SER A 32 -7.689 -10.382 -0.652 1.00 0.00 N ATOM 476 CA SER A 32 -7.114 -10.020 0.621 1.00 0.00 C ATOM 477 C SER A 32 -7.252 -8.515 0.862 1.00 0.00 C ATOM 478 O SER A 32 -6.544 -7.707 0.252 1.00 0.00 O ATOM 479 CB SER A 32 -5.633 -10.438 0.639 1.00 0.00 C ATOM 480 OG SER A 32 -5.096 -10.412 1.952 1.00 0.00 O ATOM 0 H SER A 32 -6.995 -10.605 -1.365 1.00 0.00 H new ATOM 0 HA SER A 32 -7.645 -10.537 1.420 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.533 -11.441 0.225 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.058 -9.770 -0.002 1.00 0.00 H new ATOM 0 HG SER A 32 -4.290 -10.969 1.987 1.00 0.00 H new ATOM 486 N GLU A 33 -8.195 -8.131 1.718 1.00 0.00 N ATOM 487 CA GLU A 33 -8.405 -6.732 2.047 1.00 0.00 C ATOM 488 C GLU A 33 -7.467 -6.316 3.156 1.00 0.00 C ATOM 489 O GLU A 33 -7.638 -6.699 4.316 1.00 0.00 O ATOM 490 CB GLU A 33 -9.851 -6.473 2.478 1.00 0.00 C ATOM 491 CG GLU A 33 -10.873 -7.364 1.802 1.00 0.00 C ATOM 492 CD GLU A 33 -11.222 -8.566 2.647 1.00 0.00 C ATOM 493 OE1 GLU A 33 -10.368 -9.465 2.799 1.00 0.00 O ATOM 494 OE2 GLU A 33 -12.348 -8.610 3.177 1.00 0.00 O ATOM 0 H GLU A 33 -8.826 -8.775 2.196 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.202 -6.144 1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.926 -6.608 3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.099 -5.432 2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.777 -6.789 1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.484 -7.698 0.840 1.00 0.00 H new ATOM 501 N ILE A 34 -6.474 -5.538 2.816 1.00 0.00 N ATOM 502 CA ILE A 34 -5.503 -5.089 3.785 1.00 0.00 C ATOM 503 C ILE A 34 -5.827 -3.667 4.215 1.00 0.00 C ATOM 504 O ILE A 34 -6.202 -2.834 3.393 1.00 0.00 O ATOM 505 CB ILE A 34 -4.070 -5.135 3.202 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.796 -6.501 2.540 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.039 -4.858 4.290 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.903 -7.680 3.488 1.00 0.00 C ATOM 0 H ILE A 34 -6.314 -5.198 1.868 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.548 -5.757 4.645 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.987 -4.359 2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.500 -6.643 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.797 -6.488 2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.038 -4.895 3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.215 -3.870 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.125 -5.611 5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.696 -8.603 2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.180 -7.564 4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.909 -7.722 3.905 1.00 0.00 H new ATOM 520 N HIS A 35 -5.699 -3.388 5.500 1.00 0.00 N ATOM 521 CA HIS A 35 -5.994 -2.065 6.039 1.00 0.00 C ATOM 522 C HIS A 35 -4.740 -1.477 6.655 1.00 0.00 C ATOM 523 O HIS A 35 -4.054 -2.135 7.436 1.00 0.00 O ATOM 524 CB HIS A 35 -7.104 -2.134 7.100 1.00 0.00 C ATOM 525 CG HIS A 35 -8.483 -2.357 6.552 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.603 -1.733 7.058 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.924 -3.156 5.553 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.667 -2.141 6.400 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.286 -3.004 5.483 1.00 0.00 N ATOM 0 H HIS A 35 -5.390 -4.064 6.198 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.339 -1.431 5.222 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.871 -2.938 7.798 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.100 -1.205 7.671 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.317 -3.794 4.928 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.682 -1.821 6.582 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.903 -3.482 4.827 1.00 0.00 H new ATOM 538 N PHE A 36 -4.434 -0.244 6.313 1.00 0.00 N ATOM 539 CA PHE A 36 -3.221 0.404 6.799 1.00 0.00 C ATOM 540 C PHE A 36 -3.433 1.906 6.993 1.00 0.00 C ATOM 541 O PHE A 36 -4.260 2.530 6.315 1.00 0.00 O ATOM 542 CB PHE A 36 -2.059 0.132 5.825 1.00 0.00 C ATOM 543 CG PHE A 36 -2.514 -0.011 4.413 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.852 1.093 3.664 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.634 -1.265 3.843 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.297 0.946 2.371 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.080 -1.412 2.557 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.411 -0.305 1.820 1.00 0.00 C ATOM 0 H PHE A 36 -5.006 0.336 5.699 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.970 -0.016 7.773 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.338 0.947 5.889 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.540 -0.777 6.129 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.767 2.080 4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.373 -2.140 4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.557 1.817 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.171 -2.397 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.762 -0.418 0.805 1.00 0.00 H new ATOM 558 N LYS A 37 -2.696 2.481 7.929 1.00 0.00 N ATOM 559 CA LYS A 37 -2.798 3.904 8.231 1.00 0.00 C ATOM 560 C LYS A 37 -1.547 4.621 7.742 1.00 0.00 C ATOM 561 O LYS A 37 -0.438 4.314 8.179 1.00 0.00 O ATOM 562 CB LYS A 37 -2.940 4.117 9.746 1.00 0.00 C ATOM 563 CG LYS A 37 -3.898 3.163 10.435 1.00 0.00 C ATOM 564 CD LYS A 37 -5.327 3.381 9.994 1.00 0.00 C ATOM 565 CE LYS A 37 -6.279 2.496 10.776 1.00 0.00 C ATOM 566 NZ LYS A 37 -6.042 1.047 10.517 1.00 0.00 N ATOM 0 H LYS A 37 -2.014 1.981 8.499 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.677 4.307 7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.957 4.018 10.206 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.275 5.139 9.925 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.605 2.136 10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.827 3.295 11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.599 4.427 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.419 3.168 8.929 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.166 2.696 11.841 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.306 2.747 10.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.797 0.487 10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.041 0.873 9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.123 0.769 10.916 1.00 0.00 H new ATOM 580 N VAL A 38 -1.707 5.572 6.835 1.00 0.00 N ATOM 581 CA VAL A 38 -0.560 6.300 6.296 1.00 0.00 C ATOM 582 C VAL A 38 -0.852 7.796 6.188 1.00 0.00 C ATOM 583 O VAL A 38 -2.002 8.226 6.203 1.00 0.00 O ATOM 584 CB VAL A 38 -0.114 5.763 4.901 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.338 4.310 4.983 1.00 0.00 C ATOM 586 CG2 VAL A 38 -1.228 5.913 3.882 1.00 0.00 C ATOM 0 H VAL A 38 -2.610 5.859 6.457 1.00 0.00 H new ATOM 0 HA VAL A 38 0.256 6.138 7.001 1.00 0.00 H new ATOM 0 HB VAL A 38 0.736 6.363 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.642 3.967 3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.180 4.229 5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.485 3.693 5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.893 5.532 2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.101 5.349 4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.492 6.966 3.784 1.00 0.00 H new ATOM 596 N LYS A 39 0.196 8.590 6.091 1.00 0.00 N ATOM 597 CA LYS A 39 0.062 10.034 5.958 1.00 0.00 C ATOM 598 C LYS A 39 -0.182 10.420 4.515 1.00 0.00 C ATOM 599 O LYS A 39 0.101 9.655 3.602 1.00 0.00 O ATOM 600 CB LYS A 39 1.314 10.739 6.480 1.00 0.00 C ATOM 601 CG LYS A 39 1.231 11.121 7.938 1.00 0.00 C ATOM 602 CD LYS A 39 0.338 12.332 8.126 1.00 0.00 C ATOM 603 CE LYS A 39 1.123 13.626 8.070 1.00 0.00 C ATOM 604 NZ LYS A 39 0.304 14.788 8.498 1.00 0.00 N ATOM 0 H LYS A 39 1.161 8.259 6.102 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.795 10.349 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.175 10.088 6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.488 11.637 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.842 10.283 8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.229 11.336 8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.431 12.340 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.175 12.260 9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.002 13.546 8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.482 13.789 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.877 15.654 8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.521 14.880 7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.018 14.644 9.476 1.00 0.00 H new ATOM 618 N MET A 40 -0.694 11.614 4.306 1.00 0.00 N ATOM 619 CA MET A 40 -0.967 12.093 2.969 1.00 0.00 C ATOM 620 C MET A 40 0.307 12.480 2.253 1.00 0.00 C ATOM 621 O MET A 40 0.452 12.256 1.052 1.00 0.00 O ATOM 622 CB MET A 40 -1.926 13.282 3.007 1.00 0.00 C ATOM 623 CG MET A 40 -3.360 12.916 3.299 1.00 0.00 C ATOM 624 SD MET A 40 -4.442 13.196 1.887 1.00 0.00 S ATOM 625 CE MET A 40 -3.635 12.199 0.645 1.00 0.00 C ATOM 0 H MET A 40 -0.930 12.273 5.048 1.00 0.00 H new ATOM 0 HA MET A 40 -1.435 11.278 2.417 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.582 13.987 3.764 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.883 13.798 2.048 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.412 11.867 3.591 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.716 13.501 4.147 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.065 12.417 -0.333 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.569 12.427 0.631 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.777 11.143 0.877 1.00 0.00 H new ATOM 635 N THR A 41 1.250 13.039 2.989 1.00 0.00 N ATOM 636 CA THR A 41 2.481 13.504 2.397 1.00 0.00 C ATOM 637 C THR A 41 3.589 12.440 2.475 1.00 0.00 C ATOM 638 O THR A 41 4.755 12.704 2.176 1.00 0.00 O ATOM 639 CB THR A 41 2.956 14.828 3.056 1.00 0.00 C ATOM 640 OG1 THR A 41 3.991 15.437 2.272 1.00 0.00 O ATOM 641 CG2 THR A 41 3.467 14.579 4.472 1.00 0.00 C ATOM 0 H THR A 41 1.183 13.180 3.997 1.00 0.00 H new ATOM 0 HA THR A 41 2.275 13.696 1.344 1.00 0.00 H new ATOM 0 HB THR A 41 2.100 15.501 3.105 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.597 14.744 1.935 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.794 15.521 4.912 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.667 14.154 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.306 13.884 4.439 1.00 0.00 H new ATOM 649 N THR A 42 3.225 11.223 2.846 1.00 0.00 N ATOM 650 CA THR A 42 4.207 10.166 2.970 1.00 0.00 C ATOM 651 C THR A 42 4.304 9.393 1.660 1.00 0.00 C ATOM 652 O THR A 42 3.476 9.562 0.766 1.00 0.00 O ATOM 653 CB THR A 42 3.862 9.195 4.132 1.00 0.00 C ATOM 654 OG1 THR A 42 5.046 8.513 4.577 1.00 0.00 O ATOM 655 CG2 THR A 42 2.833 8.162 3.689 1.00 0.00 C ATOM 0 H THR A 42 2.267 10.948 3.064 1.00 0.00 H new ATOM 0 HA THR A 42 5.168 10.628 3.196 1.00 0.00 H new ATOM 0 HB THR A 42 3.447 9.786 4.949 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.118 8.584 5.552 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.608 7.493 4.520 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.921 8.669 3.374 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.233 7.584 2.856 1.00 0.00 H new ATOM 663 N HIS A 43 5.304 8.547 1.540 1.00 0.00 N ATOM 664 CA HIS A 43 5.486 7.770 0.336 1.00 0.00 C ATOM 665 C HIS A 43 4.619 6.528 0.331 1.00 0.00 C ATOM 666 O HIS A 43 4.435 5.869 1.353 1.00 0.00 O ATOM 667 CB HIS A 43 6.946 7.397 0.142 1.00 0.00 C ATOM 668 CG HIS A 43 7.784 8.518 -0.366 1.00 0.00 C ATOM 669 ND1 HIS A 43 9.100 8.680 -0.033 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.489 9.510 -1.228 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.588 9.721 -0.673 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.629 10.245 -1.408 1.00 0.00 N ATOM 0 H HIS A 43 6.004 8.380 2.263 1.00 0.00 H new ATOM 0 HA HIS A 43 5.174 8.397 -0.499 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.353 7.051 1.092 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.010 6.562 -0.555 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.530 9.692 -1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.603 10.084 -0.607 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.721 11.063 -2.011 1.00 0.00 H new ATOM 681 N LEU A 44 4.098 6.207 -0.835 1.00 0.00 N ATOM 682 CA LEU A 44 3.234 5.052 -1.031 1.00 0.00 C ATOM 683 C LEU A 44 4.045 3.772 -0.910 1.00 0.00 C ATOM 684 O LEU A 44 3.501 2.695 -0.706 1.00 0.00 O ATOM 685 CB LEU A 44 2.591 5.127 -2.425 1.00 0.00 C ATOM 686 CG LEU A 44 1.075 4.898 -2.514 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.701 3.505 -2.060 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.327 5.936 -1.710 1.00 0.00 C ATOM 0 H LEU A 44 4.262 6.745 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 44 2.455 5.052 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.809 6.109 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.081 4.392 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 44 0.787 4.998 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.379 3.375 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.200 2.770 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.012 3.364 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.745 5.754 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.630 5.875 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.555 6.929 -2.096 1.00 0.00 H new ATOM 700 N LYS A 45 5.360 3.901 -1.033 1.00 0.00 N ATOM 701 CA LYS A 45 6.269 2.766 -0.974 1.00 0.00 C ATOM 702 C LYS A 45 6.047 1.915 0.277 1.00 0.00 C ATOM 703 O LYS A 45 5.962 0.695 0.194 1.00 0.00 O ATOM 704 CB LYS A 45 7.723 3.247 -1.060 1.00 0.00 C ATOM 705 CG LYS A 45 8.142 4.208 0.048 1.00 0.00 C ATOM 706 CD LYS A 45 8.843 3.485 1.193 1.00 0.00 C ATOM 707 CE LYS A 45 10.166 2.877 0.753 1.00 0.00 C ATOM 708 NZ LYS A 45 10.689 1.919 1.760 1.00 0.00 N ATOM 0 H LYS A 45 5.826 4.797 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 45 6.057 2.128 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.381 2.378 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.874 3.736 -2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.807 4.968 -0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.263 4.727 0.430 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.019 4.184 2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.193 2.700 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.033 2.367 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.896 3.670 0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.600 1.537 1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.823 2.408 2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.011 1.140 1.883 1.00 0.00 H new ATOM 722 N LYS A 46 5.909 2.573 1.427 1.00 0.00 N ATOM 723 CA LYS A 46 5.733 1.886 2.703 1.00 0.00 C ATOM 724 C LYS A 46 4.413 1.140 2.726 1.00 0.00 C ATOM 725 O LYS A 46 4.273 0.117 3.372 1.00 0.00 O ATOM 726 CB LYS A 46 5.796 2.900 3.851 1.00 0.00 C ATOM 727 CG LYS A 46 4.661 3.916 3.839 1.00 0.00 C ATOM 728 CD LYS A 46 5.025 5.181 4.594 1.00 0.00 C ATOM 729 CE LYS A 46 5.330 4.911 6.055 1.00 0.00 C ATOM 730 NZ LYS A 46 5.779 6.141 6.745 1.00 0.00 N ATOM 0 H LYS A 46 5.916 3.590 1.500 1.00 0.00 H new ATOM 0 HA LYS A 46 6.537 1.160 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.780 2.362 4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.747 3.431 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.410 4.168 2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.771 3.471 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.892 5.645 4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.203 5.894 4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.441 4.518 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.102 4.145 6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.980 5.926 7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.641 6.501 6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.032 6.862 6.691 1.00 0.00 H new ATOM 744 N LEU A 47 3.458 1.663 2.000 1.00 0.00 N ATOM 745 CA LEU A 47 2.140 1.086 1.904 1.00 0.00 C ATOM 746 C LEU A 47 2.189 -0.170 1.034 1.00 0.00 C ATOM 747 O LEU A 47 1.636 -1.214 1.389 1.00 0.00 O ATOM 748 CB LEU A 47 1.207 2.147 1.302 1.00 0.00 C ATOM 749 CG LEU A 47 -0.294 1.849 1.263 1.00 0.00 C ATOM 750 CD1 LEU A 47 -1.069 3.149 1.084 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.633 0.887 0.130 1.00 0.00 C ATOM 0 H LEU A 47 3.575 2.514 1.451 1.00 0.00 H new ATOM 0 HA LEU A 47 1.769 0.791 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.349 3.072 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.535 2.339 0.281 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.576 1.379 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.137 2.935 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.854 3.818 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.770 3.625 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.706 0.693 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.341 1.329 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.095 -0.050 0.275 1.00 0.00 H new ATOM 763 N LYS A 48 2.873 -0.065 -0.107 1.00 0.00 N ATOM 764 CA LYS A 48 2.993 -1.178 -1.052 1.00 0.00 C ATOM 765 C LYS A 48 3.634 -2.375 -0.372 1.00 0.00 C ATOM 766 O LYS A 48 3.120 -3.488 -0.420 1.00 0.00 O ATOM 767 CB LYS A 48 3.857 -0.787 -2.261 1.00 0.00 C ATOM 768 CG LYS A 48 3.580 0.590 -2.829 1.00 0.00 C ATOM 769 CD LYS A 48 4.739 1.074 -3.702 1.00 0.00 C ATOM 770 CE LYS A 48 4.829 0.307 -5.000 1.00 0.00 C ATOM 771 NZ LYS A 48 6.111 0.552 -5.709 1.00 0.00 N ATOM 0 H LYS A 48 3.355 0.785 -0.400 1.00 0.00 H new ATOM 0 HA LYS A 48 1.989 -1.429 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.906 -0.839 -1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.707 -1.525 -3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.664 0.565 -3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.416 1.296 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.613 2.135 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.675 0.969 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.726 -0.759 -4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.998 0.591 -5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.219 -0.138 -6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.111 1.514 -6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.902 0.452 -5.041 1.00 0.00 H new ATOM 785 N GLU A 49 4.750 -2.130 0.282 1.00 0.00 N ATOM 786 CA GLU A 49 5.493 -3.184 0.950 1.00 0.00 C ATOM 787 C GLU A 49 4.716 -3.720 2.152 1.00 0.00 C ATOM 788 O GLU A 49 4.760 -4.912 2.453 1.00 0.00 O ATOM 789 CB GLU A 49 6.884 -2.689 1.380 1.00 0.00 C ATOM 790 CG GLU A 49 6.863 -1.372 2.139 1.00 0.00 C ATOM 791 CD GLU A 49 8.205 -1.002 2.734 1.00 0.00 C ATOM 792 OE1 GLU A 49 8.667 -1.704 3.653 1.00 0.00 O ATOM 793 OE2 GLU A 49 8.804 0.010 2.302 1.00 0.00 O ATOM 0 H GLU A 49 5.167 -1.203 0.367 1.00 0.00 H new ATOM 0 HA GLU A 49 5.628 -4.000 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.352 -3.450 2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.508 -2.576 0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.541 -0.578 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.124 -1.433 2.938 1.00 0.00 H new ATOM 800 N SER A 50 3.972 -2.840 2.814 1.00 0.00 N ATOM 801 CA SER A 50 3.203 -3.204 3.993 1.00 0.00 C ATOM 802 C SER A 50 2.091 -4.190 3.648 1.00 0.00 C ATOM 803 O SER A 50 1.925 -5.223 4.305 1.00 0.00 O ATOM 804 CB SER A 50 2.605 -1.948 4.640 1.00 0.00 C ATOM 805 OG SER A 50 1.937 -2.252 5.851 1.00 0.00 O ATOM 0 H SER A 50 3.887 -1.859 2.548 1.00 0.00 H new ATOM 0 HA SER A 50 3.879 -3.688 4.698 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.398 -1.225 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.907 -1.478 3.947 1.00 0.00 H new ATOM 0 HG SER A 50 1.570 -1.430 6.237 1.00 0.00 H new ATOM 811 N TYR A 51 1.350 -3.910 2.594 1.00 0.00 N ATOM 812 CA TYR A 51 0.238 -4.759 2.247 1.00 0.00 C ATOM 813 C TYR A 51 0.732 -6.047 1.585 1.00 0.00 C ATOM 814 O TYR A 51 0.146 -7.117 1.763 1.00 0.00 O ATOM 815 CB TYR A 51 -0.789 -4.015 1.363 1.00 0.00 C ATOM 816 CG TYR A 51 -0.535 -4.091 -0.135 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.931 -5.203 -0.865 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.083 -3.055 -0.813 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.717 -5.282 -2.220 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.302 -3.127 -2.177 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.101 -4.243 -2.871 1.00 0.00 C ATOM 822 OH TYR A 51 0.115 -4.322 -4.219 1.00 0.00 O ATOM 0 H TYR A 51 1.497 -3.113 1.974 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.279 -5.034 3.166 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.780 -4.420 1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.806 -2.966 1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.417 -6.023 -0.358 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.399 -2.177 -0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.032 -6.157 -2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.787 -2.312 -2.693 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.557 -4.909 -4.624 1.00 0.00 H new ATOM 832 N CYS A 52 1.835 -5.949 0.835 1.00 0.00 N ATOM 833 CA CYS A 52 2.401 -7.109 0.153 1.00 0.00 C ATOM 834 C CYS A 52 2.834 -8.155 1.151 1.00 0.00 C ATOM 835 O CYS A 52 2.530 -9.345 1.002 1.00 0.00 O ATOM 836 CB CYS A 52 3.583 -6.709 -0.728 1.00 0.00 C ATOM 837 SG CYS A 52 3.126 -5.760 -2.193 1.00 0.00 S ATOM 0 H CYS A 52 2.349 -5.080 0.688 1.00 0.00 H new ATOM 0 HA CYS A 52 1.623 -7.529 -0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.283 -6.123 -0.133 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.109 -7.611 -1.042 1.00 0.00 H new ATOM 0 HG CYS A 52 2.923 -4.520 -1.861 1.00 0.00 H new ATOM 843 N GLN A 53 3.513 -7.718 2.199 1.00 0.00 N ATOM 844 CA GLN A 53 3.989 -8.632 3.206 1.00 0.00 C ATOM 845 C GLN A 53 2.824 -9.202 4.004 1.00 0.00 C ATOM 846 O GLN A 53 2.865 -10.343 4.446 1.00 0.00 O ATOM 847 CB GLN A 53 5.013 -7.969 4.129 1.00 0.00 C ATOM 848 CG GLN A 53 4.467 -6.801 4.920 1.00 0.00 C ATOM 849 CD GLN A 53 5.495 -6.180 5.832 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.692 -6.177 5.536 1.00 0.00 O ATOM 851 NE2 GLN A 53 5.041 -5.659 6.948 1.00 0.00 N ATOM 0 H GLN A 53 3.743 -6.739 2.368 1.00 0.00 H new ATOM 0 HA GLN A 53 4.494 -9.454 2.698 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.397 -8.716 4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.857 -7.626 3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.095 -6.043 4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.617 -7.136 5.514 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.042 -5.683 7.153 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.687 -5.230 7.610 1.00 0.00 H new ATOM 860 N ARG A 54 1.761 -8.402 4.183 1.00 0.00 N ATOM 861 CA ARG A 54 0.557 -8.864 4.876 1.00 0.00 C ATOM 862 C ARG A 54 -0.020 -10.101 4.195 1.00 0.00 C ATOM 863 O ARG A 54 -0.461 -11.038 4.848 1.00 0.00 O ATOM 864 CB ARG A 54 -0.502 -7.761 4.907 1.00 0.00 C ATOM 865 CG ARG A 54 -0.276 -6.684 5.952 1.00 0.00 C ATOM 866 CD ARG A 54 -0.515 -7.214 7.354 1.00 0.00 C ATOM 867 NE ARG A 54 -0.568 -6.137 8.343 1.00 0.00 N ATOM 868 CZ ARG A 54 -0.583 -6.327 9.661 1.00 0.00 C ATOM 869 NH1 ARG A 54 -0.511 -7.561 10.163 1.00 0.00 N ATOM 870 NH2 ARG A 54 -0.670 -5.284 10.482 1.00 0.00 N ATOM 0 H ARG A 54 1.715 -7.436 3.857 1.00 0.00 H new ATOM 0 HA ARG A 54 0.839 -9.120 5.897 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.543 -7.290 3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.476 -8.218 5.083 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.743 -6.306 5.873 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.943 -5.843 5.761 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.450 -7.773 7.376 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.280 -7.911 7.619 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.595 -5.177 8.000 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.444 -8.363 9.537 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.523 -7.702 11.173 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.725 -4.339 10.102 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.682 -5.429 11.492 1.00 0.00 H new ATOM 884 N GLN A 55 -0.008 -10.096 2.870 1.00 0.00 N ATOM 885 CA GLN A 55 -0.521 -11.218 2.089 1.00 0.00 C ATOM 886 C GLN A 55 0.484 -12.357 2.053 1.00 0.00 C ATOM 887 O GLN A 55 0.133 -13.509 1.789 1.00 0.00 O ATOM 888 CB GLN A 55 -0.819 -10.763 0.672 1.00 0.00 C ATOM 889 CG GLN A 55 -1.959 -9.769 0.574 1.00 0.00 C ATOM 890 CD GLN A 55 -1.774 -8.783 -0.557 1.00 0.00 C ATOM 891 OE1 GLN A 55 -0.537 -8.385 -0.791 1.00 0.00 O flip ATOM 892 NE2 GLN A 55 -2.734 -8.362 -1.196 1.00 0.00 N flip ATOM 0 H GLN A 55 0.353 -9.325 2.309 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.436 -11.575 2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.079 -10.314 0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.057 -11.635 0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.895 -10.308 0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.044 -9.225 1.515 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.674 -8.696 -0.983 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.591 -7.679 -1.940 1.00 0.00 H new ATOM 901 N GLY A 56 1.742 -12.033 2.312 1.00 0.00 N ATOM 902 CA GLY A 56 2.781 -13.034 2.312 1.00 0.00 C ATOM 903 C GLY A 56 3.258 -13.361 0.915 1.00 0.00 C ATOM 904 O GLY A 56 3.609 -14.506 0.619 1.00 0.00 O ATOM 0 H GLY A 56 2.060 -11.087 2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.623 -12.682 2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.410 -13.941 2.789 1.00 0.00 H new ATOM 908 N VAL A 57 3.267 -12.364 0.042 1.00 0.00 N ATOM 909 CA VAL A 57 3.703 -12.551 -1.336 1.00 0.00 C ATOM 910 C VAL A 57 4.645 -11.427 -1.757 1.00 0.00 C ATOM 911 O VAL A 57 4.550 -10.308 -1.245 1.00 0.00 O ATOM 912 CB VAL A 57 2.502 -12.614 -2.326 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.590 -13.790 -2.009 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.721 -11.310 -2.317 1.00 0.00 C ATOM 0 H VAL A 57 2.976 -11.412 0.264 1.00 0.00 H new ATOM 0 HA VAL A 57 4.227 -13.506 -1.375 1.00 0.00 H new ATOM 0 HB VAL A 57 2.905 -12.762 -3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.761 -13.808 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.154 -14.719 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.201 -13.686 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.888 -11.380 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.338 -11.122 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.376 -10.491 -2.614 1.00 0.00 H new ATOM 924 N PRO A 58 5.579 -11.714 -2.680 1.00 0.00 N ATOM 925 CA PRO A 58 6.526 -10.718 -3.174 1.00 0.00 C ATOM 926 C PRO A 58 5.841 -9.614 -3.981 1.00 0.00 C ATOM 927 O PRO A 58 4.824 -9.840 -4.652 1.00 0.00 O ATOM 928 CB PRO A 58 7.477 -11.522 -4.060 1.00 0.00 C ATOM 929 CG PRO A 58 6.704 -12.729 -4.451 1.00 0.00 C ATOM 930 CD PRO A 58 5.795 -13.034 -3.298 1.00 0.00 C ATOM 0 HA PRO A 58 7.030 -10.201 -2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.783 -10.948 -4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.386 -11.792 -3.522 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.132 -12.547 -5.361 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.369 -13.568 -4.655 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.858 -13.481 -3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.252 -13.735 -2.600 1.00 0.00 H new ATOM 938 N MET A 59 6.424 -8.427 -3.943 1.00 0.00 N ATOM 939 CA MET A 59 5.866 -7.246 -4.610 1.00 0.00 C ATOM 940 C MET A 59 5.974 -7.361 -6.129 1.00 0.00 C ATOM 941 O MET A 59 5.342 -6.614 -6.870 1.00 0.00 O ATOM 942 CB MET A 59 6.602 -5.993 -4.136 1.00 0.00 C ATOM 943 CG MET A 59 6.643 -5.837 -2.624 1.00 0.00 C ATOM 944 SD MET A 59 7.616 -4.416 -2.086 1.00 0.00 S ATOM 945 CE MET A 59 6.589 -3.069 -2.662 1.00 0.00 C ATOM 0 H MET A 59 7.299 -8.248 -3.450 1.00 0.00 H new ATOM 0 HA MET A 59 4.810 -7.177 -4.350 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.623 -6.018 -4.517 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.121 -5.116 -4.569 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.625 -5.737 -2.247 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.059 -6.743 -2.182 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.927 -2.136 -2.212 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.660 -2.995 -3.747 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.553 -3.254 -2.378 1.00 0.00 H new ATOM 955 N ASN A 60 6.776 -8.299 -6.587 1.00 0.00 N ATOM 956 CA ASN A 60 7.002 -8.505 -8.015 1.00 0.00 C ATOM 957 C ASN A 60 5.985 -9.470 -8.619 1.00 0.00 C ATOM 958 O ASN A 60 5.924 -9.647 -9.830 1.00 0.00 O ATOM 959 CB ASN A 60 8.430 -9.011 -8.252 1.00 0.00 C ATOM 960 CG ASN A 60 8.822 -10.112 -7.280 1.00 0.00 C ATOM 961 OD1 ASN A 60 9.310 -9.837 -6.186 1.00 0.00 O ATOM 962 ND2 ASN A 60 8.620 -11.353 -7.664 1.00 0.00 N ATOM 0 H ASN A 60 7.292 -8.943 -5.987 1.00 0.00 H new ATOM 0 HA ASN A 60 6.873 -7.545 -8.515 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.516 -9.383 -9.273 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.128 -8.179 -8.156 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.871 -12.125 -7.046 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.213 -11.544 -8.579 1.00 0.00 H new ATOM 969 N SER A 61 5.199 -10.107 -7.775 1.00 0.00 N ATOM 970 CA SER A 61 4.192 -11.041 -8.229 1.00 0.00 C ATOM 971 C SER A 61 2.821 -10.379 -8.393 1.00 0.00 C ATOM 972 O SER A 61 1.928 -10.926 -9.047 1.00 0.00 O ATOM 973 CB SER A 61 4.099 -12.195 -7.251 1.00 0.00 C ATOM 974 OG SER A 61 5.303 -12.934 -7.228 1.00 0.00 O ATOM 0 H SER A 61 5.240 -9.992 -6.762 1.00 0.00 H new ATOM 0 HA SER A 61 4.492 -11.406 -9.211 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.882 -11.815 -6.253 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.272 -12.848 -7.530 1.00 0.00 H new ATOM 0 HG SER A 61 5.185 -13.735 -6.676 1.00 0.00 H new ATOM 980 N LEU A 62 2.639 -9.213 -7.812 1.00 0.00 N ATOM 981 CA LEU A 62 1.358 -8.540 -7.903 1.00 0.00 C ATOM 982 C LEU A 62 1.467 -7.119 -8.447 1.00 0.00 C ATOM 983 O LEU A 62 2.533 -6.513 -8.457 1.00 0.00 O ATOM 984 CB LEU A 62 0.627 -8.570 -6.558 1.00 0.00 C ATOM 985 CG LEU A 62 1.472 -8.265 -5.324 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.931 -6.815 -5.315 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.692 -8.591 -4.068 1.00 0.00 C ATOM 0 H LEU A 62 3.351 -8.715 -7.278 1.00 0.00 H new ATOM 0 HA LEU A 62 0.765 -9.096 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.193 -7.853 -6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.181 -9.557 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 62 2.364 -8.891 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.531 -6.629 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.531 -6.618 -6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.061 -6.158 -5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.303 -8.370 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.217 -7.990 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.427 -9.648 -4.068 1.00 0.00 H new ATOM 999 N ARG A 63 0.343 -6.603 -8.883 1.00 0.00 N ATOM 1000 CA ARG A 63 0.258 -5.285 -9.475 1.00 0.00 C ATOM 1001 C ARG A 63 -0.457 -4.325 -8.549 1.00 0.00 C ATOM 1002 O ARG A 63 -1.618 -4.525 -8.221 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.520 -5.352 -10.783 1.00 0.00 C ATOM 1004 CG ARG A 63 0.097 -6.223 -11.857 1.00 0.00 C ATOM 1005 CD ARG A 63 1.062 -5.437 -12.720 1.00 0.00 C ATOM 1006 NE ARG A 63 2.269 -5.031 -11.987 1.00 0.00 N ATOM 1007 CZ ARG A 63 2.833 -3.818 -12.043 1.00 0.00 C ATOM 1008 NH1 ARG A 63 2.286 -2.854 -12.777 1.00 0.00 N ATOM 1009 NH2 ARG A 63 3.942 -3.570 -11.357 1.00 0.00 N ATOM 0 H ARG A 63 -0.551 -7.091 -8.837 1.00 0.00 H new ATOM 0 HA ARG A 63 1.274 -4.933 -9.653 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.524 -5.720 -10.571 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.628 -4.341 -11.175 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.620 -7.059 -11.393 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.690 -6.646 -12.481 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.349 -6.041 -13.581 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.560 -4.550 -13.106 1.00 0.00 H new ATOM 0 HE ARG A 63 2.712 -5.728 -11.388 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.431 -3.036 -13.302 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.721 -1.932 -12.815 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.364 -4.303 -10.788 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.372 -2.646 -11.399 1.00 0.00 H new ATOM 1023 N PHE A 64 0.225 -3.295 -8.130 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.382 -2.265 -7.308 1.00 0.00 C ATOM 1025 C PHE A 64 -0.692 -1.035 -8.144 1.00 0.00 C ATOM 1026 O PHE A 64 0.214 -0.356 -8.642 1.00 0.00 O ATOM 1027 CB PHE A 64 0.525 -1.899 -6.122 1.00 0.00 C ATOM 1028 CG PHE A 64 2.001 -2.145 -6.361 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.671 -1.517 -7.403 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.712 -3.010 -5.541 1.00 0.00 C ATOM 1031 CE1 PHE A 64 4.013 -1.752 -7.623 1.00 0.00 C ATOM 1032 CE2 PHE A 64 4.054 -3.245 -5.757 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.706 -2.617 -6.799 1.00 0.00 C ATOM 0 H PHE A 64 1.210 -3.139 -8.342 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.316 -2.657 -6.907 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.379 -0.846 -5.881 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.211 -2.472 -5.250 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.135 -0.837 -8.049 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.208 -3.505 -4.724 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.521 -1.260 -8.439 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.595 -3.921 -5.111 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.756 -2.802 -6.970 1.00 0.00 H new ATOM 1043 N LEU A 65 -1.965 -0.745 -8.321 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.361 0.396 -9.115 1.00 0.00 C ATOM 1045 C LEU A 65 -3.584 1.085 -8.520 1.00 0.00 C ATOM 1046 O LEU A 65 -4.301 0.523 -7.694 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.584 -0.005 -10.613 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.888 -0.747 -10.996 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.179 -1.883 -10.053 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -5.064 0.218 -11.085 1.00 0.00 C ATOM 0 H LEU A 65 -2.738 -1.281 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.545 1.118 -9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.534 0.905 -11.210 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.745 -0.632 -10.916 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.739 -1.181 -11.985 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.102 -2.379 -10.355 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.357 -2.598 -10.080 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.290 -1.496 -9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.966 -0.331 -11.356 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.210 0.703 -10.120 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.858 0.973 -11.843 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.823 2.297 -8.953 1.00 0.00 N ATOM 1063 CA PHE A 66 -4.949 3.073 -8.497 1.00 0.00 C ATOM 1064 C PHE A 66 -5.482 3.878 -9.644 1.00 0.00 C ATOM 1065 O PHE A 66 -4.710 4.467 -10.383 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.535 3.995 -7.353 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.631 4.894 -6.878 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.647 4.399 -6.097 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.637 6.239 -7.211 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.655 5.219 -5.648 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.644 7.070 -6.769 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.658 6.560 -5.983 1.00 0.00 C ATOM 0 H PHE A 66 -3.238 2.777 -9.637 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.725 2.402 -8.127 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.187 3.388 -6.517 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.692 4.605 -7.677 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.654 3.352 -5.832 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.844 6.641 -7.824 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.445 4.815 -5.033 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.640 8.116 -7.037 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.449 7.205 -5.632 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.810 3.881 -9.807 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.510 4.609 -10.888 1.00 0.00 C ATOM 1084 C GLU A 67 -6.895 4.335 -12.276 1.00 0.00 C ATOM 1085 O GLU A 67 -6.995 5.153 -13.191 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.567 6.124 -10.613 1.00 0.00 C ATOM 1087 CG GLU A 67 -6.242 6.836 -10.749 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.386 8.328 -10.833 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.908 8.825 -11.852 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -5.969 9.017 -9.897 1.00 0.00 O ATOM 0 H GLU A 67 -7.442 3.374 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.530 4.226 -10.900 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.281 6.578 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.949 6.283 -9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.611 6.584 -9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.731 6.475 -11.641 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.290 3.172 -12.436 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.672 2.817 -13.700 1.00 0.00 C ATOM 1099 C GLY A 68 -4.246 3.330 -13.834 1.00 0.00 C ATOM 1100 O GLY A 68 -3.732 3.473 -14.942 1.00 0.00 O ATOM 0 H GLY A 68 -6.214 2.460 -11.710 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.673 1.732 -13.805 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.274 3.217 -14.516 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.596 3.602 -12.714 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.226 4.096 -12.727 1.00 0.00 C ATOM 1106 C GLN A 69 -1.372 3.265 -11.780 1.00 0.00 C ATOM 1107 O GLN A 69 -1.805 2.936 -10.675 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.178 5.578 -12.304 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.883 5.790 -10.823 1.00 0.00 C ATOM 1110 CD GLN A 69 -2.031 7.222 -10.383 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -3.183 7.545 -9.845 1.00 0.00 O flip ATOM 1112 NE2 GLN A 69 -1.100 8.015 -10.486 1.00 0.00 N flip ATOM 0 H GLN A 69 -3.995 3.489 -11.782 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.836 4.011 -13.741 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.416 6.089 -12.893 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.133 6.045 -12.544 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.554 5.165 -10.233 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.867 5.456 -10.611 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.222 7.718 -10.912 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.204 8.971 -10.146 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.186 2.887 -12.208 1.00 0.00 N ATOM 1122 CA ARG A 70 0.722 2.132 -11.360 1.00 0.00 C ATOM 1123 C ARG A 70 1.163 2.961 -10.157 1.00 0.00 C ATOM 1124 O ARG A 70 1.269 4.197 -10.223 1.00 0.00 O ATOM 1125 CB ARG A 70 1.958 1.656 -12.158 1.00 0.00 C ATOM 1126 CG ARG A 70 3.083 2.693 -12.288 1.00 0.00 C ATOM 1127 CD ARG A 70 2.645 3.947 -13.042 1.00 0.00 C ATOM 1128 NE ARG A 70 3.651 5.009 -12.951 1.00 0.00 N ATOM 1129 CZ ARG A 70 3.384 6.317 -13.001 1.00 0.00 C ATOM 1130 NH1 ARG A 70 2.140 6.742 -13.185 1.00 0.00 N ATOM 1131 NH2 ARG A 70 4.365 7.197 -12.874 1.00 0.00 N ATOM 0 H ARG A 70 0.176 3.089 -13.140 1.00 0.00 H new ATOM 0 HA ARG A 70 0.184 1.256 -10.999 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.360 0.764 -11.679 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.636 1.363 -13.157 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.429 2.974 -11.293 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.930 2.241 -12.804 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.469 3.700 -14.089 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.699 4.305 -12.636 1.00 0.00 H new ATOM 0 HE ARG A 70 4.626 4.729 -12.842 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.381 6.068 -13.289 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.943 7.742 -13.222 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.324 6.876 -12.738 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.162 8.196 -12.912 1.00 0.00 H new ATOM 1145 N ILE A 71 1.408 2.304 -9.058 1.00 0.00 N ATOM 1146 CA ILE A 71 1.861 2.989 -7.880 1.00 0.00 C ATOM 1147 C ILE A 71 3.365 2.838 -7.739 1.00 0.00 C ATOM 1148 O ILE A 71 3.880 1.734 -7.587 1.00 0.00 O ATOM 1149 CB ILE A 71 1.180 2.457 -6.605 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.345 2.354 -6.789 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.513 3.350 -5.433 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -1.005 3.628 -7.283 1.00 0.00 C ATOM 0 H ILE A 71 1.302 1.295 -8.953 1.00 0.00 H new ATOM 0 HA ILE A 71 1.595 4.040 -7.994 1.00 0.00 H new ATOM 0 HB ILE A 71 1.558 1.454 -6.407 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.560 1.551 -7.494 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.795 2.072 -5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.028 2.968 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.593 3.367 -5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.159 4.361 -5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.078 3.466 -7.384 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.825 4.432 -6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.586 3.903 -8.251 1.00 0.00 H new ATOM 1164 N ALA A 72 4.076 3.944 -7.792 1.00 0.00 N ATOM 1165 CA ALA A 72 5.507 3.918 -7.672 1.00 0.00 C ATOM 1166 C ALA A 72 5.903 4.144 -6.231 1.00 0.00 C ATOM 1167 O ALA A 72 5.098 4.606 -5.423 1.00 0.00 O ATOM 1168 CB ALA A 72 6.131 4.965 -8.573 1.00 0.00 C ATOM 0 H ALA A 72 3.678 4.875 -7.918 1.00 0.00 H new ATOM 0 HA ALA A 72 5.874 2.941 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.216 4.933 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.858 4.763 -9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.769 5.953 -8.288 1.00 0.00 H new ATOM 1174 N ASP A 73 7.134 3.827 -5.899 1.00 0.00 N ATOM 1175 CA ASP A 73 7.623 3.962 -4.529 1.00 0.00 C ATOM 1176 C ASP A 73 7.759 5.422 -4.140 1.00 0.00 C ATOM 1177 O ASP A 73 7.699 5.779 -2.966 1.00 0.00 O ATOM 1178 CB ASP A 73 8.963 3.248 -4.379 1.00 0.00 C ATOM 1179 CG ASP A 73 8.888 1.817 -4.845 1.00 0.00 C ATOM 1180 OD1 ASP A 73 8.208 1.007 -4.183 1.00 0.00 O ATOM 1181 OD2 ASP A 73 9.464 1.512 -5.904 1.00 0.00 O ATOM 0 H ASP A 73 7.826 3.471 -6.558 1.00 0.00 H new ATOM 0 HA ASP A 73 6.896 3.501 -3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.724 3.778 -4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.275 3.275 -3.335 1.00 0.00 H new ATOM 1186 N ASN A 74 7.924 6.272 -5.127 1.00 0.00 N ATOM 1187 CA ASN A 74 8.071 7.697 -4.888 1.00 0.00 C ATOM 1188 C ASN A 74 6.727 8.372 -5.033 1.00 0.00 C ATOM 1189 O ASN A 74 6.613 9.592 -4.963 1.00 0.00 O ATOM 1190 CB ASN A 74 9.055 8.312 -5.882 1.00 0.00 C ATOM 1191 CG ASN A 74 10.306 7.487 -6.039 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.287 7.689 -5.334 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.279 6.554 -6.973 1.00 0.00 N ATOM 0 H ASN A 74 7.961 6.003 -6.110 1.00 0.00 H new ATOM 0 HA ASN A 74 8.455 7.843 -3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.569 8.418 -6.852 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.324 9.315 -5.549 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.098 5.966 -7.131 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.440 6.421 -7.537 1.00 0.00 H new ATOM 1200 N HIS A 75 5.685 7.570 -5.224 1.00 0.00 N ATOM 1201 CA HIS A 75 4.345 8.114 -5.379 1.00 0.00 C ATOM 1202 C HIS A 75 3.744 8.356 -4.023 1.00 0.00 C ATOM 1203 O HIS A 75 4.055 7.659 -3.072 1.00 0.00 O ATOM 1204 CB HIS A 75 3.445 7.179 -6.194 1.00 0.00 C ATOM 1205 CG HIS A 75 3.357 7.538 -7.646 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.585 6.838 -8.558 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.938 8.539 -8.344 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.706 7.393 -9.747 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.519 8.426 -9.644 1.00 0.00 N ATOM 0 H HIS A 75 5.743 6.553 -5.275 1.00 0.00 H new ATOM 0 HA HIS A 75 4.420 9.055 -5.924 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.820 6.159 -6.104 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.443 7.190 -5.765 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.608 9.289 -7.950 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.221 7.058 -10.652 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.792 9.042 -10.409 1.00 0.00 H new ATOM 1218 N THR A 76 2.926 9.368 -3.915 1.00 0.00 N ATOM 1219 CA THR A 76 2.278 9.680 -2.652 1.00 0.00 C ATOM 1220 C THR A 76 0.770 9.692 -2.805 1.00 0.00 C ATOM 1221 O THR A 76 0.252 9.909 -3.906 1.00 0.00 O ATOM 1222 CB THR A 76 2.742 11.046 -2.120 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.431 12.063 -3.070 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.231 11.040 -1.879 1.00 0.00 C ATOM 0 H THR A 76 2.687 9.996 -4.682 1.00 0.00 H new ATOM 0 HA THR A 76 2.560 8.903 -1.941 1.00 0.00 H new ATOM 0 HB THR A 76 2.227 11.244 -1.180 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.256 12.509 -3.354 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.543 12.014 -1.503 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.478 10.272 -1.146 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.750 10.829 -2.814 1.00 0.00 H new ATOM 1232 N PRO A 77 0.036 9.454 -1.705 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.422 9.466 -1.720 1.00 0.00 C ATOM 1234 C PRO A 77 -1.959 10.823 -2.155 1.00 0.00 C ATOM 1235 O PRO A 77 -2.928 10.915 -2.899 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.808 9.192 -0.258 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.606 8.575 0.358 1.00 0.00 C ATOM 1238 CD PRO A 77 0.573 9.148 -0.363 1.00 0.00 C ATOM 0 HA PRO A 77 -1.832 8.737 -2.419 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.083 10.113 0.255 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.667 8.524 -0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.557 8.798 1.424 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.632 7.490 0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.951 10.042 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.398 8.438 -0.412 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.300 11.885 -1.707 1.00 0.00 N ATOM 1247 CA LYS A 78 -1.723 13.244 -2.023 1.00 0.00 C ATOM 1248 C LYS A 78 -1.554 13.544 -3.511 1.00 0.00 C ATOM 1249 O LYS A 78 -2.408 14.179 -4.126 1.00 0.00 O ATOM 1250 CB LYS A 78 -0.931 14.258 -1.199 1.00 0.00 C ATOM 1251 CG LYS A 78 0.550 14.206 -1.463 1.00 0.00 C ATOM 1252 CD LYS A 78 1.254 15.452 -0.993 1.00 0.00 C ATOM 1253 CE LYS A 78 2.563 15.619 -1.732 1.00 0.00 C ATOM 1254 NZ LYS A 78 3.323 16.804 -1.259 1.00 0.00 N ATOM 0 H LYS A 78 -0.467 11.830 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.780 13.327 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.298 15.261 -1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.112 14.077 -0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.977 13.338 -0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.723 14.074 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.620 16.322 -1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.438 15.393 0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.170 14.723 -1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.366 15.717 -2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.213 16.881 -1.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.755 17.663 -1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.534 16.699 -0.246 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.456 13.074 -4.094 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.178 13.320 -5.494 1.00 0.00 C ATOM 1270 C GLU A 79 -1.090 12.494 -6.381 1.00 0.00 C ATOM 1271 O GLU A 79 -1.537 12.948 -7.433 1.00 0.00 O ATOM 1272 CB GLU A 79 1.280 13.021 -5.822 1.00 0.00 C ATOM 1273 CG GLU A 79 2.258 14.101 -5.385 1.00 0.00 C ATOM 1274 CD GLU A 79 1.960 15.451 -5.997 1.00 0.00 C ATOM 1275 OE1 GLU A 79 1.869 15.540 -7.240 1.00 0.00 O ATOM 1276 OE2 GLU A 79 1.841 16.435 -5.242 1.00 0.00 O ATOM 0 H GLU A 79 0.253 12.521 -3.613 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.368 14.376 -5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.561 12.081 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.375 12.876 -6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.234 14.187 -4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.269 13.800 -5.658 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.385 11.269 -5.956 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.247 10.398 -6.743 1.00 0.00 C ATOM 1285 C LEU A 80 -3.716 10.760 -6.542 1.00 0.00 C ATOM 1286 O LEU A 80 -4.606 10.177 -7.159 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.002 8.916 -6.417 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.542 8.427 -6.499 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.482 6.938 -6.765 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.241 9.183 -7.551 1.00 0.00 C ATOM 0 H LEU A 80 -1.045 10.863 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.996 10.551 -7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.371 8.723 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.603 8.313 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.080 8.625 -5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.559 6.620 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.984 6.404 -5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.978 6.717 -7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.265 8.811 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.225 9.038 -8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.248 10.245 -7.306 1.00 0.00 H new ATOM 1302 N GLY A 81 -3.970 11.726 -5.671 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.325 12.188 -5.437 1.00 0.00 C ATOM 1304 C GLY A 81 -6.137 11.228 -4.600 1.00 0.00 C ATOM 1305 O GLY A 81 -7.307 10.971 -4.885 1.00 0.00 O ATOM 0 H GLY A 81 -3.257 12.202 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.292 13.157 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.823 12.338 -6.395 1.00 0.00 H new ATOM 1309 N MET A 82 -5.525 10.692 -3.571 1.00 0.00 N ATOM 1310 CA MET A 82 -6.189 9.767 -2.669 1.00 0.00 C ATOM 1311 C MET A 82 -6.627 10.501 -1.418 1.00 0.00 C ATOM 1312 O MET A 82 -6.153 11.601 -1.134 1.00 0.00 O ATOM 1313 CB MET A 82 -5.236 8.641 -2.276 1.00 0.00 C ATOM 1314 CG MET A 82 -4.766 7.785 -3.431 1.00 0.00 C ATOM 1315 SD MET A 82 -3.472 6.629 -2.939 1.00 0.00 S ATOM 1316 CE MET A 82 -3.082 5.874 -4.508 1.00 0.00 C ATOM 0 H MET A 82 -4.552 10.882 -3.331 1.00 0.00 H new ATOM 0 HA MET A 82 -7.058 9.346 -3.176 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.365 9.074 -1.784 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.731 8.002 -1.545 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.612 7.230 -3.837 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.393 8.427 -4.229 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.044 5.541 -4.503 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.737 5.019 -4.673 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.226 6.601 -5.307 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.529 9.912 -0.672 1.00 0.00 N ATOM 1327 CA GLU A 83 -7.987 10.497 0.575 1.00 0.00 C ATOM 1328 C GLU A 83 -8.215 9.410 1.603 1.00 0.00 C ATOM 1329 O GLU A 83 -7.840 8.260 1.389 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.254 11.333 0.365 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.416 10.585 -0.256 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.611 11.485 -0.458 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -11.658 12.194 -1.487 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.494 11.508 0.424 1.00 0.00 O ATOM 0 H GLU A 83 -7.967 9.021 -0.905 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.213 11.170 0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.571 11.733 1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.009 12.185 -0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.109 10.166 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.694 9.748 0.384 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.815 9.751 2.726 1.00 0.00 N ATOM 1342 CA GLU A 84 -9.044 8.765 3.752 1.00 0.00 C ATOM 1343 C GLU A 84 -10.112 7.780 3.318 1.00 0.00 C ATOM 1344 O GLU A 84 -11.053 8.134 2.601 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.418 9.413 5.084 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.800 10.029 5.119 1.00 0.00 C ATOM 1347 CD GLU A 84 -11.132 10.580 6.475 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -11.621 9.810 7.325 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -10.891 11.781 6.710 1.00 0.00 O ATOM 0 H GLU A 84 -9.147 10.690 2.946 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.110 8.223 3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.350 8.661 5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.684 10.185 5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.861 10.826 4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.540 9.278 4.841 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.922 6.531 3.709 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.841 5.435 3.420 1.00 0.00 C ATOM 1358 C GLU A 85 -10.739 5.000 1.962 1.00 0.00 C ATOM 1359 O GLU A 85 -11.491 4.136 1.499 1.00 0.00 O ATOM 1360 CB GLU A 85 -12.278 5.811 3.774 1.00 0.00 C ATOM 1361 CG GLU A 85 -12.966 4.783 4.631 1.00 0.00 C ATOM 1362 CD GLU A 85 -12.261 4.567 5.951 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -12.284 5.482 6.794 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -11.680 3.478 6.149 1.00 0.00 O ATOM 0 H GLU A 85 -9.107 6.241 4.249 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.551 4.590 4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.278 6.768 4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.848 5.948 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.993 5.098 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.016 3.838 4.090 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.819 5.621 1.230 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.585 5.286 -0.172 1.00 0.00 C ATOM 1373 C ASP A 86 -9.101 3.859 -0.308 1.00 0.00 C ATOM 1374 O ASP A 86 -8.574 3.266 0.640 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.565 6.225 -0.795 1.00 0.00 C ATOM 1376 CG ASP A 86 -8.932 6.628 -2.203 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.430 5.768 -2.969 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -8.747 7.813 -2.545 1.00 0.00 O ATOM 0 H ASP A 86 -9.219 6.364 1.587 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.534 5.396 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.474 7.118 -0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.588 5.742 -0.802 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.267 3.303 -1.472 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.896 1.933 -1.709 1.00 0.00 C ATOM 1385 C VAL A 87 -7.993 1.814 -2.925 1.00 0.00 C ATOM 1386 O VAL A 87 -8.138 2.544 -3.903 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.151 1.039 -1.900 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -10.974 1.502 -3.094 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.761 -0.427 -2.045 1.00 0.00 C ATOM 0 H VAL A 87 -9.661 3.781 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.350 1.588 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.769 1.136 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.847 0.859 -3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.299 2.530 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.366 1.449 -3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.659 -1.031 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.112 -0.547 -2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.233 -0.753 -1.149 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.053 0.902 -2.857 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.152 0.653 -3.950 1.00 0.00 C ATOM 1401 C ILE A 88 -6.444 -0.731 -4.521 1.00 0.00 C ATOM 1402 O ILE A 88 -6.869 -1.642 -3.791 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.667 0.751 -3.498 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.437 2.048 -2.721 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.721 0.677 -4.687 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.464 1.868 -1.221 1.00 0.00 C ATOM 0 H ILE A 88 -6.893 0.312 -2.040 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.307 1.413 -4.716 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.457 -0.098 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.474 2.469 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.200 2.772 -3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.691 0.748 -4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.863 -0.271 -5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.930 1.500 -5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.294 2.829 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.435 1.476 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.682 1.169 -0.924 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.208 -0.904 -5.800 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.526 -2.144 -6.468 1.00 0.00 C ATOM 1420 C GLU A 89 -5.252 -2.929 -6.718 1.00 0.00 C ATOM 1421 O GLU A 89 -4.217 -2.357 -7.073 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.228 -1.846 -7.793 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.731 -3.075 -8.518 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.942 -3.691 -7.859 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -10.056 -3.143 -8.017 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -8.799 -4.735 -7.194 1.00 0.00 O ATOM 0 H GLU A 89 -5.793 -0.194 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.190 -2.737 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.070 -1.180 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.538 -1.310 -8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.979 -2.809 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.933 -3.816 -8.564 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.288 -4.224 -6.490 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.127 -5.047 -6.727 1.00 0.00 C ATOM 1435 C VAL A 90 -4.462 -6.216 -7.646 1.00 0.00 C ATOM 1436 O VAL A 90 -5.440 -6.931 -7.436 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.557 -5.580 -5.406 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.332 -6.457 -5.644 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.222 -4.428 -4.477 1.00 0.00 C ATOM 0 H VAL A 90 -6.105 -4.726 -6.143 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.377 -4.422 -7.212 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.318 -6.201 -4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.952 -6.819 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.608 -7.306 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.559 -5.874 -6.144 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.818 -4.819 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.482 -3.783 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.125 -3.853 -4.270 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.637 -6.418 -8.650 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.824 -7.498 -9.603 1.00 0.00 C ATOM 1451 C TYR A 91 -2.688 -8.491 -9.471 1.00 0.00 C ATOM 1452 O TYR A 91 -1.765 -8.287 -8.691 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.895 -6.950 -11.040 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.204 -6.272 -11.369 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -5.378 -4.924 -11.124 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -6.262 -6.980 -11.926 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -6.567 -4.292 -11.418 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -7.459 -6.356 -12.225 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.606 -5.010 -11.965 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.796 -4.379 -12.253 1.00 0.00 O ATOM 0 H TYR A 91 -2.817 -5.840 -8.832 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.767 -8.001 -9.388 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.081 -6.240 -11.189 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.735 -7.770 -11.740 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.567 -4.355 -10.694 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.147 -8.035 -12.129 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.683 -3.237 -11.220 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.272 -6.919 -12.659 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.425 -5.026 -12.635 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.749 -9.565 -10.208 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.713 -10.571 -10.167 1.00 0.00 C ATOM 1472 C GLN A 92 -0.918 -10.538 -11.464 1.00 0.00 C ATOM 1473 O GLN A 92 -1.493 -10.523 -12.550 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.330 -11.957 -9.979 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.357 -13.002 -9.467 1.00 0.00 C ATOM 1476 CD GLN A 92 -1.084 -12.857 -7.981 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.765 -13.456 -7.161 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.096 -12.057 -7.628 1.00 0.00 N ATOM 0 H GLN A 92 -3.512 -9.771 -10.852 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.050 -10.362 -9.327 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.165 -11.880 -9.282 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.740 -12.293 -10.931 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.758 -13.996 -9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.419 -12.921 -10.016 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.450 -11.575 -8.342 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.122 -11.921 -6.641 1.00 0.00 H new ATOM 1487 N GLU A 93 0.397 -10.501 -11.359 1.00 0.00 N ATOM 1488 CA GLU A 93 1.247 -10.510 -12.541 1.00 0.00 C ATOM 1489 C GLU A 93 2.142 -11.741 -12.543 1.00 0.00 C ATOM 1490 O GLU A 93 3.153 -11.794 -13.245 1.00 0.00 O ATOM 1491 CB GLU A 93 2.091 -9.236 -12.629 1.00 0.00 C ATOM 1492 CG GLU A 93 3.041 -9.034 -11.467 1.00 0.00 C ATOM 1493 CD GLU A 93 3.954 -7.852 -11.672 1.00 0.00 C ATOM 1494 OE1 GLU A 93 4.806 -7.903 -12.579 1.00 0.00 O ATOM 1495 OE2 GLU A 93 3.824 -6.864 -10.938 1.00 0.00 O ATOM 0 H GLU A 93 0.901 -10.465 -10.473 1.00 0.00 H new ATOM 0 HA GLU A 93 0.600 -10.545 -13.418 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.667 -9.260 -13.554 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.424 -8.376 -12.691 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.467 -8.892 -10.552 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.641 -9.934 -11.330 1.00 0.00 H new