USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 774 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 76 SER OG : rot 150:sc= -0.155 USER MOD Set 1.2: A 80 CYS SG : rot -102:sc= 1.5 USER MOD Set 1.3: A 82 THR OG1 : rot 171:sc= -0.0742 USER MOD Set 2.1: A 65 TYR OH : rot -52:sc= 0.0631 USER MOD Set 2.2: A 99 ASN : amide:sc= -1.77! X(o=-1.8!,f=-1.9) USER MOD Set 2.3: A 102 GLN : amide:sc= -0.0565 X(o=-1.8,f=-1.9!) USER MOD Set 2.4: A 147 ASN : amide:sc= -0.0445 K(o=-1.8,f=-5.8!) USER MOD Single : A 19 THR OG1 : rot 141:sc= 0.834 USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= 0.405 (180deg=-0.334!) USER MOD Single : A 22 LYS NZ :NH3+ -117:sc= -0.0253 (180deg=-1.36) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=0.64) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 139:sc= -1.74 (180deg=-3.59!) USER MOD Single : A 41 THR OG1 : rot -7:sc= 1.09 USER MOD Single : A 42 GLN : amide:sc= -0.0507 K(o=-0.051,f=-1.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -0.316 X(o=-0.32,f=-0.049) USER MOD Single : A 59 TYR OH : rot 128:sc= 1.44 USER MOD Single : A 61 CYS SG : rot -61:sc= 0.925 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 42:sc= 0.232 USER MOD Single : A 70 ASN : amide:sc= -0.0119 K(o=-0.012,f=-1.3) USER MOD Single : A 73 SER OG : rot 15:sc= -1.54! USER MOD Single : A 81 GLN : amide:sc= -0.0572 X(o=-0.057,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.54 X(o=-0.54,f=-0.08) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot -170:sc= -2.16! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 145:sc= -3.29! (180deg=-6.03!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 143 CYS SG : rot 160:sc= 0 USER MOD Single : A 145 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.21) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 11.094 -5.367 -3.969 1.00 0.00 N ATOM 235 CA THR A 19 9.775 -5.188 -4.561 1.00 0.00 C ATOM 236 C THR A 19 8.899 -6.415 -4.332 1.00 0.00 C ATOM 237 O THR A 19 8.511 -7.099 -5.280 1.00 0.00 O ATOM 238 CB THR A 19 9.870 -4.915 -6.074 1.00 0.00 C ATOM 239 OG1 THR A 19 8.563 -4.929 -6.658 1.00 0.00 O ATOM 240 CG2 THR A 19 10.748 -5.952 -6.757 1.00 0.00 C ATOM 0 HA THR A 19 9.323 -4.325 -4.071 1.00 0.00 H new ATOM 0 HB THR A 19 10.319 -3.932 -6.216 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.501 -4.226 -7.338 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.800 -5.738 -7.825 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.751 -5.917 -6.331 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.324 -6.945 -6.606 1.00 0.00 H new ATOM 248 N LYS A 20 8.590 -6.689 -3.069 1.00 0.00 N ATOM 249 CA LYS A 20 7.758 -7.832 -2.715 1.00 0.00 C ATOM 250 C LYS A 20 7.456 -7.843 -1.220 1.00 0.00 C ATOM 251 O LYS A 20 8.364 -7.935 -0.394 1.00 0.00 O ATOM 252 CB LYS A 20 8.450 -9.137 -3.116 1.00 0.00 C ATOM 253 CG LYS A 20 7.501 -10.316 -3.242 1.00 0.00 C ATOM 254 CD LYS A 20 6.972 -10.458 -4.659 1.00 0.00 C ATOM 255 CE LYS A 20 8.037 -11.001 -5.600 1.00 0.00 C ATOM 256 NZ LYS A 20 7.515 -11.182 -6.982 1.00 0.00 N ATOM 0 H LYS A 20 8.904 -6.134 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 20 6.816 -7.746 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.961 -8.990 -4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.215 -9.375 -2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.016 -11.232 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.667 -10.188 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.109 -11.124 -4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.627 -9.489 -5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.887 -10.319 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.403 -11.956 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.305 -11.152 -7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.032 -12.100 -7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.843 -10.420 -7.202 1.00 0.00 H new ATOM 270 N PHE A 21 6.175 -7.751 -0.879 1.00 0.00 N ATOM 271 CA PHE A 21 5.753 -7.751 0.517 1.00 0.00 C ATOM 272 C PHE A 21 4.419 -8.472 0.682 1.00 0.00 C ATOM 273 O PHE A 21 3.495 -8.283 -0.109 1.00 0.00 O ATOM 274 CB PHE A 21 5.638 -6.317 1.037 1.00 0.00 C ATOM 275 CG PHE A 21 6.872 -5.493 0.802 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.239 -5.120 -0.481 1.00 0.00 C ATOM 277 CD2 PHE A 21 7.666 -5.092 1.865 1.00 0.00 C ATOM 278 CE1 PHE A 21 8.374 -4.363 -0.699 1.00 0.00 C ATOM 279 CE2 PHE A 21 8.802 -4.334 1.653 1.00 0.00 C ATOM 280 CZ PHE A 21 9.156 -3.968 0.369 1.00 0.00 C ATOM 0 H PHE A 21 5.411 -7.675 -1.550 1.00 0.00 H new ATOM 0 HA PHE A 21 6.507 -8.282 1.098 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.789 -5.831 0.555 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.426 -6.343 2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.631 -5.424 -1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.394 -5.375 2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.650 -4.080 -1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.412 -4.028 2.490 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.042 -3.374 0.200 1.00 0.00 H new ATOM 290 N LYS A 22 4.326 -9.301 1.717 1.00 0.00 N ATOM 291 CA LYS A 22 3.106 -10.052 1.988 1.00 0.00 C ATOM 292 C LYS A 22 2.062 -9.168 2.662 1.00 0.00 C ATOM 293 O LYS A 22 2.242 -8.734 3.800 1.00 0.00 O ATOM 294 CB LYS A 22 3.414 -11.262 2.874 1.00 0.00 C ATOM 295 CG LYS A 22 4.524 -12.145 2.333 1.00 0.00 C ATOM 296 CD LYS A 22 4.010 -13.094 1.263 1.00 0.00 C ATOM 297 CE LYS A 22 4.959 -14.264 1.053 1.00 0.00 C ATOM 298 NZ LYS A 22 4.237 -15.494 0.624 1.00 0.00 N ATOM 0 H LYS A 22 5.081 -9.469 2.382 1.00 0.00 H new ATOM 0 HA LYS A 22 2.703 -10.399 1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.691 -10.912 3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.509 -11.859 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.316 -11.522 1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.964 -12.719 3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.027 -13.468 1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.885 -12.553 0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.702 -13.998 0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.499 -14.464 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.353 -16.234 1.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.226 -15.280 0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.627 -15.828 -0.280 1.00 0.00 H new ATOM 312 N VAL A 23 0.968 -8.905 1.953 1.00 0.00 N ATOM 313 CA VAL A 23 -0.106 -8.075 2.484 1.00 0.00 C ATOM 314 C VAL A 23 -1.328 -8.915 2.834 1.00 0.00 C ATOM 315 O VAL A 23 -1.634 -9.899 2.159 1.00 0.00 O ATOM 316 CB VAL A 23 -0.519 -6.982 1.480 1.00 0.00 C ATOM 317 CG1 VAL A 23 0.628 -6.011 1.246 1.00 0.00 C ATOM 318 CG2 VAL A 23 -0.975 -7.607 0.170 1.00 0.00 C ATOM 0 H VAL A 23 0.803 -9.255 1.009 1.00 0.00 H new ATOM 0 HA VAL A 23 0.277 -7.602 3.388 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.356 -6.424 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.318 -5.246 0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.903 -5.539 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.486 -6.551 0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.263 -6.821 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.160 -8.191 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.829 -8.258 0.355 1.00 0.00 H new ATOM 328 N THR A 24 -2.026 -8.522 3.896 1.00 0.00 N ATOM 329 CA THR A 24 -3.216 -9.239 4.337 1.00 0.00 C ATOM 330 C THR A 24 -4.444 -8.337 4.310 1.00 0.00 C ATOM 331 O THR A 24 -4.666 -7.548 5.228 1.00 0.00 O ATOM 332 CB THR A 24 -3.037 -9.802 5.760 1.00 0.00 C ATOM 333 OG1 THR A 24 -1.865 -10.624 5.818 1.00 0.00 O ATOM 334 CG2 THR A 24 -4.253 -10.614 6.177 1.00 0.00 C ATOM 0 H THR A 24 -1.787 -7.711 4.466 1.00 0.00 H new ATOM 0 HA THR A 24 -3.362 -10.066 3.642 1.00 0.00 H new ATOM 0 HB THR A 24 -2.926 -8.964 6.448 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.757 -10.977 6.726 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.104 -11.001 7.185 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.138 -9.978 6.160 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.390 -11.445 5.485 1.00 0.00 H new ATOM 342 N ASN A 25 -5.239 -8.458 3.252 1.00 0.00 N ATOM 343 CA ASN A 25 -6.446 -7.652 3.107 1.00 0.00 C ATOM 344 C ASN A 25 -7.283 -7.691 4.382 1.00 0.00 C ATOM 345 O ASN A 25 -7.469 -8.749 4.983 1.00 0.00 O ATOM 346 CB ASN A 25 -7.276 -8.149 1.922 1.00 0.00 C ATOM 347 CG ASN A 25 -8.579 -7.388 1.770 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.663 -7.962 1.882 1.00 0.00 O ATOM 349 ND2 ASN A 25 -8.479 -6.090 1.513 1.00 0.00 N ATOM 0 H ASN A 25 -5.069 -9.106 2.483 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.145 -6.621 2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.692 -8.051 1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.491 -9.210 2.052 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.321 -5.526 1.400 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.560 -5.656 1.429 1.00 0.00 H new ATOM 356 N VAL A 26 -7.786 -6.530 4.789 1.00 0.00 N ATOM 357 CA VAL A 26 -8.605 -6.431 5.991 1.00 0.00 C ATOM 358 C VAL A 26 -9.714 -5.400 5.817 1.00 0.00 C ATOM 359 O VAL A 26 -9.539 -4.394 5.129 1.00 0.00 O ATOM 360 CB VAL A 26 -7.756 -6.052 7.219 1.00 0.00 C ATOM 361 CG1 VAL A 26 -6.664 -7.086 7.453 1.00 0.00 C ATOM 362 CG2 VAL A 26 -7.158 -4.664 7.046 1.00 0.00 C ATOM 0 H VAL A 26 -7.641 -5.645 4.304 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.048 -7.414 6.154 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.404 -6.037 8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.074 -6.802 8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.118 -8.062 7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.017 -7.136 6.578 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.561 -4.413 7.923 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.524 -4.649 6.159 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.959 -3.934 6.931 1.00 0.00 H new ATOM 372 N ASP A 27 -10.857 -5.657 6.444 1.00 0.00 N ATOM 373 CA ASP A 27 -11.996 -4.750 6.360 1.00 0.00 C ATOM 374 C ASP A 27 -11.724 -3.463 7.133 1.00 0.00 C ATOM 375 O ASP A 27 -10.622 -3.253 7.639 1.00 0.00 O ATOM 376 CB ASP A 27 -13.256 -5.429 6.901 1.00 0.00 C ATOM 377 CG ASP A 27 -12.986 -6.232 8.158 1.00 0.00 C ATOM 378 OD1 ASP A 27 -12.271 -5.722 9.047 1.00 0.00 O ATOM 379 OD2 ASP A 27 -13.491 -7.370 8.254 1.00 0.00 O ATOM 0 H ASP A 27 -11.019 -6.486 7.016 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.151 -4.496 5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.011 -4.672 7.112 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.669 -6.086 6.135 1.00 0.00 H new ATOM 384 N ASP A 28 -12.736 -2.606 7.218 1.00 0.00 N ATOM 385 CA ASP A 28 -12.606 -1.339 7.928 1.00 0.00 C ATOM 386 C ASP A 28 -12.151 -1.567 9.366 1.00 0.00 C ATOM 387 O ASP A 28 -11.428 -0.750 9.935 1.00 0.00 O ATOM 388 CB ASP A 28 -13.936 -0.584 7.914 1.00 0.00 C ATOM 389 CG ASP A 28 -14.111 0.303 9.131 1.00 0.00 C ATOM 390 OD1 ASP A 28 -14.366 -0.237 10.228 1.00 0.00 O ATOM 391 OD2 ASP A 28 -13.992 1.537 8.987 1.00 0.00 O ATOM 0 H ASP A 28 -13.655 -2.766 6.804 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.852 -0.740 7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -13.995 0.026 7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.757 -1.300 7.869 1.00 0.00 H new ATOM 396 N GLU A 29 -12.582 -2.682 9.948 1.00 0.00 N ATOM 397 CA GLU A 29 -12.219 -3.015 11.321 1.00 0.00 C ATOM 398 C GLU A 29 -10.751 -3.419 11.413 1.00 0.00 C ATOM 399 O GLU A 29 -9.996 -2.877 12.219 1.00 0.00 O ATOM 400 CB GLU A 29 -13.105 -4.148 11.845 1.00 0.00 C ATOM 401 CG GLU A 29 -14.375 -3.663 12.524 1.00 0.00 C ATOM 402 CD GLU A 29 -14.112 -2.567 13.539 1.00 0.00 C ATOM 403 OE1 GLU A 29 -13.375 -2.824 14.513 1.00 0.00 O ATOM 404 OE2 GLU A 29 -14.643 -1.451 13.357 1.00 0.00 O ATOM 0 H GLU A 29 -13.182 -3.369 9.491 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.373 -2.128 11.936 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.374 -4.801 11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.532 -4.749 12.551 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.069 -3.294 11.768 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.861 -4.503 13.020 1.00 0.00 H new ATOM 411 N GLY A 30 -10.353 -4.378 10.582 1.00 0.00 N ATOM 412 CA GLY A 30 -8.977 -4.840 10.586 1.00 0.00 C ATOM 413 C GLY A 30 -8.873 -6.350 10.664 1.00 0.00 C ATOM 414 O GLY A 30 -7.842 -6.888 11.068 1.00 0.00 O ATOM 0 H GLY A 30 -10.959 -4.843 9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.477 -4.491 9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.451 -4.398 11.432 1.00 0.00 H new ATOM 418 N VAL A 31 -9.943 -7.036 10.277 1.00 0.00 N ATOM 419 CA VAL A 31 -9.968 -8.494 10.306 1.00 0.00 C ATOM 420 C VAL A 31 -9.148 -9.080 9.162 1.00 0.00 C ATOM 421 O VAL A 31 -9.110 -8.525 8.065 1.00 0.00 O ATOM 422 CB VAL A 31 -11.409 -9.032 10.218 1.00 0.00 C ATOM 423 CG1 VAL A 31 -11.434 -10.533 10.467 1.00 0.00 C ATOM 424 CG2 VAL A 31 -12.310 -8.305 11.204 1.00 0.00 C ATOM 0 H VAL A 31 -10.804 -6.606 9.940 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.531 -8.800 11.257 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.787 -8.848 9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.460 -10.896 10.401 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.822 -11.036 9.718 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.038 -10.744 11.460 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.324 -8.698 11.128 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.937 -8.456 12.217 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.316 -7.239 10.974 1.00 0.00 H new ATOM 434 N GLU A 32 -8.492 -10.205 9.428 1.00 0.00 N ATOM 435 CA GLU A 32 -7.671 -10.866 8.420 1.00 0.00 C ATOM 436 C GLU A 32 -8.539 -11.651 7.441 1.00 0.00 C ATOM 437 O GLU A 32 -9.094 -12.696 7.785 1.00 0.00 O ATOM 438 CB GLU A 32 -6.661 -11.803 9.087 1.00 0.00 C ATOM 439 CG GLU A 32 -5.717 -11.096 10.045 1.00 0.00 C ATOM 440 CD GLU A 32 -5.207 -12.010 11.143 1.00 0.00 C ATOM 441 OE1 GLU A 32 -5.959 -12.252 12.110 1.00 0.00 O ATOM 442 OE2 GLU A 32 -4.057 -12.484 11.033 1.00 0.00 O ATOM 0 H GLU A 32 -8.513 -10.677 10.332 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.132 -10.097 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.201 -12.579 9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.075 -12.302 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.870 -10.698 9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.231 -10.246 10.494 1.00 0.00 H new ATOM 449 N LEU A 33 -8.653 -11.141 6.220 1.00 0.00 N ATOM 450 CA LEU A 33 -9.454 -11.793 5.189 1.00 0.00 C ATOM 451 C LEU A 33 -8.644 -12.866 4.468 1.00 0.00 C ATOM 452 O LEU A 33 -9.004 -14.042 4.481 1.00 0.00 O ATOM 453 CB LEU A 33 -9.964 -10.760 4.183 1.00 0.00 C ATOM 454 CG LEU A 33 -11.183 -9.945 4.616 1.00 0.00 C ATOM 455 CD1 LEU A 33 -12.388 -10.852 4.813 1.00 0.00 C ATOM 456 CD2 LEU A 33 -10.882 -9.172 5.892 1.00 0.00 C ATOM 0 H LEU A 33 -8.201 -10.278 5.919 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.306 -12.271 5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.151 -10.069 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.209 -11.277 3.255 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.417 -9.229 3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.246 -10.255 5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.617 -11.361 3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.165 -11.591 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.761 -8.598 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.623 -9.870 6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.047 -8.494 5.718 1.00 0.00 H new ATOM 468 N GLY A 34 -7.547 -12.451 3.842 1.00 0.00 N ATOM 469 CA GLY A 34 -6.702 -13.390 3.126 1.00 0.00 C ATOM 470 C GLY A 34 -5.308 -12.847 2.885 1.00 0.00 C ATOM 471 O GLY A 34 -5.143 -11.700 2.469 1.00 0.00 O ATOM 0 H GLY A 34 -7.228 -11.482 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.634 -14.318 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.164 -13.634 2.169 1.00 0.00 H new ATOM 475 N SER A 35 -4.299 -13.672 3.149 1.00 0.00 N ATOM 476 CA SER A 35 -2.911 -13.267 2.964 1.00 0.00 C ATOM 477 C SER A 35 -2.476 -13.466 1.515 1.00 0.00 C ATOM 478 O SER A 35 -2.902 -14.410 0.852 1.00 0.00 O ATOM 479 CB SER A 35 -1.996 -14.062 3.898 1.00 0.00 C ATOM 480 OG SER A 35 -2.177 -15.457 3.722 1.00 0.00 O ATOM 0 H SER A 35 -4.418 -14.625 3.492 1.00 0.00 H new ATOM 0 HA SER A 35 -2.832 -12.207 3.207 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.956 -13.799 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.205 -13.793 4.933 1.00 0.00 H new ATOM 0 HG SER A 35 -1.580 -15.943 4.328 1.00 0.00 H new ATOM 486 N GLY A 36 -1.622 -12.569 1.032 1.00 0.00 N ATOM 487 CA GLY A 36 -1.143 -12.663 -0.335 1.00 0.00 C ATOM 488 C GLY A 36 0.179 -11.948 -0.536 1.00 0.00 C ATOM 489 O GLY A 36 0.647 -11.233 0.350 1.00 0.00 O ATOM 0 H GLY A 36 -1.253 -11.779 1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.030 -13.713 -0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.888 -12.239 -1.008 1.00 0.00 H new ATOM 493 N VAL A 37 0.783 -12.142 -1.704 1.00 0.00 N ATOM 494 CA VAL A 37 2.059 -11.511 -2.019 1.00 0.00 C ATOM 495 C VAL A 37 1.861 -10.274 -2.888 1.00 0.00 C ATOM 496 O VAL A 37 1.347 -10.363 -4.003 1.00 0.00 O ATOM 497 CB VAL A 37 3.005 -12.487 -2.742 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.293 -11.785 -3.143 1.00 0.00 C ATOM 499 CG2 VAL A 37 3.298 -13.694 -1.864 1.00 0.00 C ATOM 0 H VAL A 37 0.409 -12.731 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 37 2.509 -11.217 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 37 2.512 -12.837 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.949 -12.491 -3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.062 -10.956 -3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.792 -11.404 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.968 -14.373 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.770 -13.365 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.366 -14.210 -1.633 1.00 0.00 H new ATOM 509 N MET A 38 2.273 -9.122 -2.371 1.00 0.00 N ATOM 510 CA MET A 38 2.143 -7.866 -3.102 1.00 0.00 C ATOM 511 C MET A 38 3.388 -7.592 -3.938 1.00 0.00 C ATOM 512 O MET A 38 4.507 -7.614 -3.427 1.00 0.00 O ATOM 513 CB MET A 38 1.901 -6.709 -2.131 1.00 0.00 C ATOM 514 CG MET A 38 1.723 -5.365 -2.819 1.00 0.00 C ATOM 515 SD MET A 38 1.138 -4.082 -1.696 1.00 0.00 S ATOM 516 CE MET A 38 -0.629 -4.370 -1.743 1.00 0.00 C ATOM 0 H MET A 38 2.700 -9.031 -1.449 1.00 0.00 H new ATOM 0 HA MET A 38 1.289 -7.952 -3.773 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.013 -6.924 -1.537 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.740 -6.645 -1.438 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.673 -5.056 -3.255 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.016 -5.473 -3.641 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.041 -4.270 -0.739 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.099 -3.640 -2.402 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.824 -5.375 -2.117 1.00 0.00 H new ATOM 526 N GLU A 39 3.186 -7.334 -5.227 1.00 0.00 N ATOM 527 CA GLU A 39 4.294 -7.057 -6.133 1.00 0.00 C ATOM 528 C GLU A 39 4.187 -5.647 -6.708 1.00 0.00 C ATOM 529 O GLU A 39 3.110 -5.212 -7.118 1.00 0.00 O ATOM 530 CB GLU A 39 4.322 -8.082 -7.269 1.00 0.00 C ATOM 531 CG GLU A 39 5.568 -7.998 -8.134 1.00 0.00 C ATOM 532 CD GLU A 39 5.684 -9.158 -9.104 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.824 -10.308 -8.640 1.00 0.00 O ATOM 534 OE2 GLU A 39 5.634 -8.914 -10.328 1.00 0.00 O ATOM 0 H GLU A 39 2.266 -7.311 -5.666 1.00 0.00 H new ATOM 0 HA GLU A 39 5.221 -7.130 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.251 -9.084 -6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.443 -7.939 -7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.556 -7.062 -8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.450 -7.975 -7.493 1.00 0.00 H new ATOM 541 N LEU A 40 5.310 -4.939 -6.734 1.00 0.00 N ATOM 542 CA LEU A 40 5.344 -3.578 -7.258 1.00 0.00 C ATOM 543 C LEU A 40 6.262 -3.485 -8.473 1.00 0.00 C ATOM 544 O LEU A 40 7.486 -3.544 -8.347 1.00 0.00 O ATOM 545 CB LEU A 40 5.813 -2.605 -6.175 1.00 0.00 C ATOM 546 CG LEU A 40 4.715 -1.987 -5.307 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.285 -2.959 -4.219 1.00 0.00 C ATOM 548 CD2 LEU A 40 5.192 -0.677 -4.697 1.00 0.00 C ATOM 0 H LEU A 40 6.209 -5.284 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 40 4.334 -3.309 -7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.513 -3.128 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.367 -1.798 -6.655 1.00 0.00 H new ATOM 0 HG LEU A 40 3.852 -1.777 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.504 -2.503 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.902 -3.871 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.140 -3.201 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.398 -0.251 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.070 -0.862 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.450 0.022 -5.492 1.00 0.00 H new ATOM 560 N THR A 41 5.664 -3.337 -9.651 1.00 0.00 N ATOM 561 CA THR A 41 6.426 -3.234 -10.888 1.00 0.00 C ATOM 562 C THR A 41 6.297 -1.844 -11.500 1.00 0.00 C ATOM 563 O THR A 41 5.204 -1.282 -11.559 1.00 0.00 O ATOM 564 CB THR A 41 5.967 -4.282 -11.920 1.00 0.00 C ATOM 565 OG1 THR A 41 4.596 -4.059 -12.266 1.00 0.00 O ATOM 566 CG2 THR A 41 6.134 -5.691 -11.372 1.00 0.00 C ATOM 0 H THR A 41 4.653 -3.286 -9.774 1.00 0.00 H new ATOM 0 HA THR A 41 7.469 -3.419 -10.632 1.00 0.00 H new ATOM 0 HB THR A 41 6.588 -4.180 -12.810 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.223 -3.358 -11.691 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.803 -6.413 -12.118 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.183 -5.868 -11.136 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.535 -5.803 -10.468 1.00 0.00 H new ATOM 574 N GLN A 42 7.419 -1.296 -11.954 1.00 0.00 N ATOM 575 CA GLN A 42 7.430 0.030 -12.562 1.00 0.00 C ATOM 576 C GLN A 42 6.182 0.249 -13.411 1.00 0.00 C ATOM 577 O GLN A 42 5.588 1.328 -13.392 1.00 0.00 O ATOM 578 CB GLN A 42 8.683 0.210 -13.420 1.00 0.00 C ATOM 579 CG GLN A 42 9.980 0.072 -12.640 1.00 0.00 C ATOM 580 CD GLN A 42 11.163 -0.259 -13.528 1.00 0.00 C ATOM 581 OE1 GLN A 42 11.032 -0.351 -14.748 1.00 0.00 O ATOM 582 NE2 GLN A 42 12.329 -0.441 -12.918 1.00 0.00 N ATOM 0 H GLN A 42 8.332 -1.749 -11.913 1.00 0.00 H new ATOM 0 HA GLN A 42 7.437 0.770 -11.761 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.672 -0.527 -14.223 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.654 1.194 -13.889 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.180 1.002 -12.107 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.866 -0.708 -11.888 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.393 -0.355 -11.904 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.160 -0.667 -13.464 1.00 0.00 H new ATOM 591 N SER A 43 5.790 -0.780 -14.155 1.00 0.00 N ATOM 592 CA SER A 43 4.614 -0.698 -15.014 1.00 0.00 C ATOM 593 C SER A 43 3.361 -0.406 -14.194 1.00 0.00 C ATOM 594 O SER A 43 2.755 0.656 -14.326 1.00 0.00 O ATOM 595 CB SER A 43 4.435 -2.002 -15.794 1.00 0.00 C ATOM 596 OG SER A 43 5.521 -2.220 -16.679 1.00 0.00 O ATOM 0 H SER A 43 6.269 -1.680 -14.181 1.00 0.00 H new ATOM 0 HA SER A 43 4.765 0.121 -15.718 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.355 -2.837 -15.098 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.503 -1.967 -16.358 1.00 0.00 H new ATOM 0 HG SER A 43 5.384 -3.060 -17.164 1.00 0.00 H new ATOM 602 N GLU A 44 2.980 -1.358 -13.348 1.00 0.00 N ATOM 603 CA GLU A 44 1.799 -1.204 -12.508 1.00 0.00 C ATOM 604 C GLU A 44 1.918 -2.048 -11.242 1.00 0.00 C ATOM 605 O GLU A 44 2.920 -2.732 -11.030 1.00 0.00 O ATOM 606 CB GLU A 44 0.540 -1.601 -13.281 1.00 0.00 C ATOM 607 CG GLU A 44 0.588 -3.013 -13.840 1.00 0.00 C ATOM 608 CD GLU A 44 -0.289 -3.187 -15.064 1.00 0.00 C ATOM 609 OE1 GLU A 44 -1.501 -2.901 -14.971 1.00 0.00 O ATOM 610 OE2 GLU A 44 0.237 -3.609 -16.115 1.00 0.00 O ATOM 0 H GLU A 44 3.472 -2.243 -13.227 1.00 0.00 H new ATOM 0 HA GLU A 44 1.724 -0.155 -12.220 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.324 -1.509 -12.623 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.392 -0.899 -14.102 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.617 -3.263 -14.097 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.272 -3.716 -13.069 1.00 0.00 H new ATOM 617 N LEU A 45 0.890 -1.993 -10.402 1.00 0.00 N ATOM 618 CA LEU A 45 0.878 -2.751 -9.156 1.00 0.00 C ATOM 619 C LEU A 45 0.197 -4.102 -9.347 1.00 0.00 C ATOM 620 O LEU A 45 -0.958 -4.172 -9.767 1.00 0.00 O ATOM 621 CB LEU A 45 0.166 -1.957 -8.060 1.00 0.00 C ATOM 622 CG LEU A 45 0.726 -2.113 -6.646 1.00 0.00 C ATOM 623 CD1 LEU A 45 0.010 -1.180 -5.682 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.605 -3.557 -6.181 1.00 0.00 C ATOM 0 H LEU A 45 0.054 -1.431 -10.561 1.00 0.00 H new ATOM 0 HA LEU A 45 1.911 -2.926 -8.856 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.196 -0.901 -8.327 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.883 -2.253 -8.048 1.00 0.00 H new ATOM 0 HG LEU A 45 1.782 -1.844 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.422 -1.305 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.148 -0.148 -6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.054 -1.417 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.008 -3.650 -5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.444 -3.852 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.164 -4.205 -6.856 1.00 0.00 H new ATOM 636 N VAL A 46 0.918 -5.173 -9.032 1.00 0.00 N ATOM 637 CA VAL A 46 0.382 -6.522 -9.165 1.00 0.00 C ATOM 638 C VAL A 46 0.266 -7.204 -7.807 1.00 0.00 C ATOM 639 O VAL A 46 1.196 -7.168 -7.000 1.00 0.00 O ATOM 640 CB VAL A 46 1.261 -7.387 -10.088 1.00 0.00 C ATOM 641 CG1 VAL A 46 0.655 -8.772 -10.259 1.00 0.00 C ATOM 642 CG2 VAL A 46 1.447 -6.707 -11.436 1.00 0.00 C ATOM 0 H VAL A 46 1.875 -5.132 -8.683 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.610 -6.426 -9.606 1.00 0.00 H new ATOM 0 HB VAL A 46 2.241 -7.501 -9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.290 -9.369 -10.914 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.579 -9.258 -9.286 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.338 -8.683 -10.699 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.070 -7.332 -12.076 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.475 -6.561 -11.907 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.929 -5.740 -11.292 1.00 0.00 H new ATOM 652 N LEU A 47 -0.882 -7.826 -7.559 1.00 0.00 N ATOM 653 CA LEU A 47 -1.120 -8.518 -6.297 1.00 0.00 C ATOM 654 C LEU A 47 -1.443 -9.989 -6.536 1.00 0.00 C ATOM 655 O LEU A 47 -2.371 -10.320 -7.275 1.00 0.00 O ATOM 656 CB LEU A 47 -2.266 -7.849 -5.535 1.00 0.00 C ATOM 657 CG LEU A 47 -2.325 -8.128 -4.033 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.611 -7.576 -3.438 1.00 0.00 C ATOM 659 CD2 LEU A 47 -2.207 -9.621 -3.762 1.00 0.00 C ATOM 0 H LEU A 47 -1.662 -7.865 -8.215 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.210 -8.457 -5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.193 -6.771 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.208 -8.168 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.483 -7.626 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.636 -7.784 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.654 -6.499 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.467 -8.049 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.251 -9.800 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.028 -10.146 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.258 -9.988 -4.153 1.00 0.00 H new ATOM 671 N HIS A 48 -0.673 -10.869 -5.904 1.00 0.00 N ATOM 672 CA HIS A 48 -0.879 -12.306 -6.045 1.00 0.00 C ATOM 673 C HIS A 48 -1.706 -12.853 -4.886 1.00 0.00 C ATOM 674 O HIS A 48 -1.656 -12.329 -3.772 1.00 0.00 O ATOM 675 CB HIS A 48 0.466 -13.031 -6.113 1.00 0.00 C ATOM 676 CG HIS A 48 1.400 -12.464 -7.137 1.00 0.00 C ATOM 677 ND1 HIS A 48 1.746 -13.133 -8.292 1.00 0.00 N ATOM 678 CD2 HIS A 48 2.061 -11.284 -7.176 1.00 0.00 C ATOM 679 CE1 HIS A 48 2.581 -12.389 -8.996 1.00 0.00 C ATOM 680 NE2 HIS A 48 2.788 -11.261 -8.341 1.00 0.00 N ATOM 0 H HIS A 48 0.099 -10.612 -5.289 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.425 -12.480 -6.972 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.943 -12.987 -5.134 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.291 -14.084 -6.336 1.00 0.00 H new ATOM 0 HD1 HIS A 48 1.410 -14.058 -8.561 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.024 -10.505 -6.429 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.020 -12.658 -9.946 1.00 0.00 H new ATOM 689 N LEU A 49 -2.468 -13.908 -5.155 1.00 0.00 N ATOM 690 CA LEU A 49 -3.308 -14.525 -4.134 1.00 0.00 C ATOM 691 C LEU A 49 -3.476 -16.018 -4.398 1.00 0.00 C ATOM 692 O LEU A 49 -3.748 -16.433 -5.525 1.00 0.00 O ATOM 693 CB LEU A 49 -4.677 -13.845 -4.092 1.00 0.00 C ATOM 694 CG LEU A 49 -4.668 -12.331 -3.879 1.00 0.00 C ATOM 695 CD1 LEU A 49 -5.907 -11.698 -4.493 1.00 0.00 C ATOM 696 CD2 LEU A 49 -4.579 -12.002 -2.396 1.00 0.00 C ATOM 0 H LEU A 49 -2.521 -14.354 -6.071 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.817 -14.398 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.195 -14.057 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.262 -14.301 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.790 -11.919 -4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.883 -10.620 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.929 -11.904 -5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.799 -12.115 -4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.574 -10.920 -2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.438 -12.427 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.662 -12.423 -1.984 1.00 0.00 H new ATOM 789 N ALA A 54 -5.129 -12.882 -10.458 1.00 0.00 N ATOM 790 CA ALA A 54 -4.221 -11.804 -10.087 1.00 0.00 C ATOM 791 C ALA A 54 -4.739 -10.457 -10.578 1.00 0.00 C ATOM 792 O ALA A 54 -4.986 -10.272 -11.770 1.00 0.00 O ATOM 793 CB ALA A 54 -2.830 -12.071 -10.643 1.00 0.00 C ATOM 0 HA ALA A 54 -4.165 -11.768 -8.999 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.162 -11.258 -10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.451 -13.010 -10.240 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.879 -12.137 -11.730 1.00 0.00 H new ATOM 799 N VAL A 55 -4.901 -9.517 -9.651 1.00 0.00 N ATOM 800 CA VAL A 55 -5.390 -8.186 -9.990 1.00 0.00 C ATOM 801 C VAL A 55 -4.236 -7.241 -10.305 1.00 0.00 C ATOM 802 O VAL A 55 -3.153 -7.353 -9.730 1.00 0.00 O ATOM 803 CB VAL A 55 -6.230 -7.589 -8.845 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.772 -6.222 -9.237 1.00 0.00 C ATOM 805 CG2 VAL A 55 -7.362 -8.532 -8.468 1.00 0.00 C ATOM 0 H VAL A 55 -4.701 -9.653 -8.660 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.019 -8.295 -10.874 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.587 -7.462 -7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.363 -5.816 -8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.942 -5.550 -9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.400 -6.320 -10.122 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.945 -8.095 -7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.006 -8.692 -9.333 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.948 -9.486 -8.143 1.00 0.00 H new ATOM 815 N ARG A 56 -4.475 -6.309 -11.223 1.00 0.00 N ATOM 816 CA ARG A 56 -3.455 -5.345 -11.616 1.00 0.00 C ATOM 817 C ARG A 56 -3.985 -3.918 -11.504 1.00 0.00 C ATOM 818 O ARG A 56 -4.979 -3.563 -12.138 1.00 0.00 O ATOM 819 CB ARG A 56 -2.990 -5.617 -13.047 1.00 0.00 C ATOM 820 CG ARG A 56 -2.045 -6.801 -13.166 1.00 0.00 C ATOM 821 CD ARG A 56 -2.181 -7.490 -14.514 1.00 0.00 C ATOM 822 NE ARG A 56 -1.016 -8.313 -14.829 1.00 0.00 N ATOM 823 CZ ARG A 56 -1.048 -9.339 -15.672 1.00 0.00 C ATOM 824 NH1 ARG A 56 -2.179 -9.666 -16.281 1.00 0.00 N ATOM 825 NH2 ARG A 56 0.054 -10.040 -15.906 1.00 0.00 N ATOM 0 H ARG A 56 -5.366 -6.202 -11.708 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.607 -5.454 -10.940 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.862 -5.795 -13.676 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.494 -4.727 -13.434 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.018 -6.463 -13.031 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.253 -7.515 -12.369 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.075 -8.113 -14.514 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.316 -6.739 -15.293 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.130 -8.088 -14.377 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.028 -9.129 -16.103 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.200 -10.454 -16.928 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.926 -9.791 -15.439 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.029 -10.828 -16.553 1.00 0.00 H new ATOM 839 N TRP A 57 -3.315 -3.106 -10.695 1.00 0.00 N ATOM 840 CA TRP A 57 -3.719 -1.718 -10.500 1.00 0.00 C ATOM 841 C TRP A 57 -2.617 -0.762 -10.943 1.00 0.00 C ATOM 842 O TRP A 57 -1.603 -0.590 -10.266 1.00 0.00 O ATOM 843 CB TRP A 57 -4.068 -1.468 -9.032 1.00 0.00 C ATOM 844 CG TRP A 57 -5.151 -2.367 -8.517 1.00 0.00 C ATOM 845 CD1 TRP A 57 -6.455 -2.396 -8.924 1.00 0.00 C ATOM 846 CD2 TRP A 57 -5.025 -3.365 -7.499 1.00 0.00 C ATOM 847 NE1 TRP A 57 -7.146 -3.352 -8.220 1.00 0.00 N ATOM 848 CE2 TRP A 57 -6.291 -3.962 -7.341 1.00 0.00 C ATOM 849 CE3 TRP A 57 -3.965 -3.816 -6.708 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.523 -4.982 -6.422 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -4.197 -4.828 -5.796 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.468 -5.403 -5.660 1.00 0.00 C ATOM 0 H TRP A 57 -2.490 -3.384 -10.164 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.602 -1.534 -11.113 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -3.173 -1.605 -8.425 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.379 -0.430 -8.912 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.880 -1.761 -9.687 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -8.136 -3.572 -8.334 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -2.981 -3.381 -6.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.502 -5.425 -6.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.385 -5.182 -5.178 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.617 -6.194 -4.940 1.00 0.00 H new ATOM 863 N PRO A 58 -2.816 -0.125 -12.106 1.00 0.00 N ATOM 864 CA PRO A 58 -1.849 0.824 -12.665 1.00 0.00 C ATOM 865 C PRO A 58 -1.772 2.116 -11.857 1.00 0.00 C ATOM 866 O PRO A 58 -2.797 2.685 -11.479 1.00 0.00 O ATOM 867 CB PRO A 58 -2.394 1.102 -14.068 1.00 0.00 C ATOM 868 CG PRO A 58 -3.855 0.830 -13.967 1.00 0.00 C ATOM 869 CD PRO A 58 -4.002 -0.282 -12.965 1.00 0.00 C ATOM 0 HA PRO A 58 -0.835 0.424 -12.659 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.203 2.132 -14.370 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.922 0.459 -14.811 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.396 1.720 -13.645 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.266 0.540 -14.934 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.926 -0.190 -12.395 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.022 -1.259 -13.448 1.00 0.00 H new ATOM 877 N TYR A 59 -0.553 2.574 -11.597 1.00 0.00 N ATOM 878 CA TYR A 59 -0.343 3.798 -10.833 1.00 0.00 C ATOM 879 C TYR A 59 -0.983 4.993 -11.533 1.00 0.00 C ATOM 880 O TYR A 59 -1.496 5.906 -10.884 1.00 0.00 O ATOM 881 CB TYR A 59 1.153 4.049 -10.634 1.00 0.00 C ATOM 882 CG TYR A 59 1.939 2.799 -10.311 1.00 0.00 C ATOM 883 CD1 TYR A 59 1.531 1.941 -9.297 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.091 2.477 -11.018 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.247 0.798 -8.997 1.00 0.00 C ATOM 886 CE2 TYR A 59 3.812 1.335 -10.726 1.00 0.00 C ATOM 887 CZ TYR A 59 3.386 0.499 -9.715 1.00 0.00 C ATOM 888 OH TYR A 59 4.103 -0.638 -9.421 1.00 0.00 O ATOM 0 H TYR A 59 0.305 2.116 -11.904 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.816 3.675 -9.859 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.560 4.501 -11.538 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.288 4.771 -9.829 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.639 2.172 -8.734 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.429 3.130 -11.809 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.917 0.142 -8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.704 1.098 -11.286 1.00 0.00 H new ATOM 0 HH TYR A 59 4.243 -1.158 -10.240 1.00 0.00 H new ATOM 898 N LEU A 60 -0.949 4.981 -12.861 1.00 0.00 N ATOM 899 CA LEU A 60 -1.526 6.063 -13.651 1.00 0.00 C ATOM 900 C LEU A 60 -2.977 6.312 -13.255 1.00 0.00 C ATOM 901 O LEU A 60 -3.489 7.423 -13.403 1.00 0.00 O ATOM 902 CB LEU A 60 -1.441 5.732 -15.142 1.00 0.00 C ATOM 903 CG LEU A 60 -2.462 4.721 -15.664 1.00 0.00 C ATOM 904 CD1 LEU A 60 -3.786 5.406 -15.967 1.00 0.00 C ATOM 905 CD2 LEU A 60 -1.929 4.016 -16.903 1.00 0.00 C ATOM 0 H LEU A 60 -0.528 4.234 -13.413 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.955 6.970 -13.453 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.555 6.658 -15.706 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.442 5.351 -15.353 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.632 3.973 -14.889 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.500 4.670 -16.337 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.175 5.864 -15.058 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.633 6.176 -16.723 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.669 3.300 -17.261 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.729 4.751 -17.682 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.007 3.491 -16.654 1.00 0.00 H new ATOM 917 N CYS A 61 -3.634 5.274 -12.749 1.00 0.00 N ATOM 918 CA CYS A 61 -5.027 5.381 -12.330 1.00 0.00 C ATOM 919 C CYS A 61 -5.126 5.601 -10.824 1.00 0.00 C ATOM 920 O CYS A 61 -6.208 5.855 -10.292 1.00 0.00 O ATOM 921 CB CYS A 61 -5.798 4.122 -12.726 1.00 0.00 C ATOM 922 SG CYS A 61 -5.816 2.837 -11.454 1.00 0.00 S ATOM 0 H CYS A 61 -3.224 4.349 -12.619 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.468 6.241 -12.834 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.825 4.398 -12.963 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.360 3.712 -13.636 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.599 2.453 -11.208 1.00 0.00 H new ATOM 928 N LEU A 62 -3.991 5.499 -10.141 1.00 0.00 N ATOM 929 CA LEU A 62 -3.950 5.685 -8.694 1.00 0.00 C ATOM 930 C LEU A 62 -4.073 7.161 -8.331 1.00 0.00 C ATOM 931 O LEU A 62 -3.085 7.895 -8.330 1.00 0.00 O ATOM 932 CB LEU A 62 -2.650 5.115 -8.124 1.00 0.00 C ATOM 933 CG LEU A 62 -2.582 3.592 -8.002 1.00 0.00 C ATOM 934 CD1 LEU A 62 -1.339 3.174 -7.232 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.835 3.055 -7.327 1.00 0.00 C ATOM 0 H LEU A 62 -3.087 5.289 -10.565 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.795 5.151 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.824 5.446 -8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.490 5.546 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.523 3.168 -9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.307 2.087 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.451 3.527 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.367 3.608 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.769 1.970 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.924 3.486 -6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.710 3.324 -7.918 1.00 0.00 H new ATOM 947 N ARG A 63 -5.292 7.589 -8.021 1.00 0.00 N ATOM 948 CA ARG A 63 -5.545 8.978 -7.655 1.00 0.00 C ATOM 949 C ARG A 63 -4.600 9.428 -6.545 1.00 0.00 C ATOM 950 O ARG A 63 -4.117 10.560 -6.548 1.00 0.00 O ATOM 951 CB ARG A 63 -6.997 9.153 -7.205 1.00 0.00 C ATOM 952 CG ARG A 63 -8.014 8.718 -8.248 1.00 0.00 C ATOM 953 CD ARG A 63 -8.037 9.668 -9.435 1.00 0.00 C ATOM 954 NE ARG A 63 -8.760 10.901 -9.135 1.00 0.00 N ATOM 955 CZ ARG A 63 -10.080 11.019 -9.224 1.00 0.00 C ATOM 956 NH1 ARG A 63 -10.817 9.984 -9.603 1.00 0.00 N ATOM 957 NH2 ARG A 63 -10.666 12.174 -8.935 1.00 0.00 N ATOM 0 H ARG A 63 -6.120 6.994 -8.016 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.367 9.597 -8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.157 8.579 -6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.168 10.201 -6.958 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.777 7.711 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.005 8.675 -7.796 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.015 9.909 -9.726 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.503 9.173 -10.287 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.222 11.716 -8.841 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.370 9.095 -9.827 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.830 10.077 -9.671 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.103 12.973 -8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.680 12.263 -9.004 1.00 0.00 H new ATOM 971 N ARG A 64 -4.341 8.533 -5.596 1.00 0.00 N ATOM 972 CA ARG A 64 -3.455 8.839 -4.479 1.00 0.00 C ATOM 973 C ARG A 64 -3.200 7.595 -3.632 1.00 0.00 C ATOM 974 O ARG A 64 -3.870 6.575 -3.791 1.00 0.00 O ATOM 975 CB ARG A 64 -4.057 9.945 -3.612 1.00 0.00 C ATOM 976 CG ARG A 64 -5.386 9.568 -2.979 1.00 0.00 C ATOM 977 CD ARG A 64 -6.273 10.787 -2.776 1.00 0.00 C ATOM 978 NE ARG A 64 -7.459 10.475 -1.984 1.00 0.00 N ATOM 979 CZ ARG A 64 -8.242 11.399 -1.438 1.00 0.00 C ATOM 980 NH1 ARG A 64 -7.965 12.686 -1.598 1.00 0.00 N ATOM 981 NH2 ARG A 64 -9.305 11.037 -0.730 1.00 0.00 N ATOM 0 H ARG A 64 -4.732 7.591 -5.579 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.504 9.183 -4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.349 10.203 -2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.195 10.838 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.900 8.845 -3.612 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.208 9.082 -2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.702 11.572 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.578 11.179 -3.746 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.700 9.494 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.149 12.968 -2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.568 13.393 -1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.522 10.048 -0.605 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.905 11.748 -0.311 1.00 0.00 H new ATOM 995 N TYR A 65 -2.226 7.688 -2.734 1.00 0.00 N ATOM 996 CA TYR A 65 -1.880 6.570 -1.864 1.00 0.00 C ATOM 997 C TYR A 65 -1.285 7.067 -0.549 1.00 0.00 C ATOM 998 O TYR A 65 -0.770 8.181 -0.469 1.00 0.00 O ATOM 999 CB TYR A 65 -0.890 5.639 -2.565 1.00 0.00 C ATOM 1000 CG TYR A 65 0.269 6.363 -3.211 1.00 0.00 C ATOM 1001 CD1 TYR A 65 0.095 7.083 -4.387 1.00 0.00 C ATOM 1002 CD2 TYR A 65 1.539 6.326 -2.647 1.00 0.00 C ATOM 1003 CE1 TYR A 65 1.152 7.746 -4.981 1.00 0.00 C ATOM 1004 CE2 TYR A 65 2.600 6.987 -3.234 1.00 0.00 C ATOM 1005 CZ TYR A 65 2.402 7.695 -4.401 1.00 0.00 C ATOM 1006 OH TYR A 65 3.457 8.354 -4.989 1.00 0.00 O ATOM 0 H TYR A 65 -1.662 8.526 -2.589 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.794 6.018 -1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.502 4.923 -1.840 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.420 5.066 -3.326 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.883 7.125 -4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.699 5.771 -1.734 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.000 8.301 -5.895 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.580 6.950 -2.781 1.00 0.00 H new ATOM 0 HH TYR A 65 3.524 8.090 -5.930 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.360 6.229 0.481 1.00 0.00 N ATOM 1017 CA GLY A 66 -0.826 6.599 1.778 1.00 0.00 C ATOM 1018 C GLY A 66 -0.376 5.397 2.584 1.00 0.00 C ATOM 1019 O GLY A 66 -0.562 4.254 2.164 1.00 0.00 O ATOM 0 H GLY A 66 -1.781 5.301 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.017 7.277 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.586 7.144 2.338 1.00 0.00 H new ATOM 1023 N TYR A 67 0.218 5.653 3.744 1.00 0.00 N ATOM 1024 CA TYR A 67 0.700 4.582 4.609 1.00 0.00 C ATOM 1025 C TYR A 67 0.696 5.019 6.071 1.00 0.00 C ATOM 1026 O TYR A 67 1.280 6.043 6.426 1.00 0.00 O ATOM 1027 CB TYR A 67 2.111 4.160 4.195 1.00 0.00 C ATOM 1028 CG TYR A 67 3.193 5.088 4.698 1.00 0.00 C ATOM 1029 CD1 TYR A 67 3.157 6.448 4.412 1.00 0.00 C ATOM 1030 CD2 TYR A 67 4.252 4.606 5.457 1.00 0.00 C ATOM 1031 CE1 TYR A 67 4.144 7.300 4.869 1.00 0.00 C ATOM 1032 CE2 TYR A 67 5.242 5.451 5.919 1.00 0.00 C ATOM 1033 CZ TYR A 67 5.184 6.797 5.622 1.00 0.00 C ATOM 1034 OH TYR A 67 6.169 7.642 6.080 1.00 0.00 O ATOM 0 H TYR A 67 0.377 6.593 4.107 1.00 0.00 H new ATOM 0 HA TYR A 67 0.027 3.731 4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.304 3.154 4.568 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.162 4.112 3.107 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.344 6.845 3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.302 3.553 5.690 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.101 8.354 4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.057 5.060 6.510 1.00 0.00 H new ATOM 0 HH TYR A 67 6.826 7.129 6.595 1.00 0.00 H new ATOM 1044 N ASP A 68 0.034 4.235 6.914 1.00 0.00 N ATOM 1045 CA ASP A 68 -0.046 4.538 8.338 1.00 0.00 C ATOM 1046 C ASP A 68 0.754 3.528 9.154 1.00 0.00 C ATOM 1047 O ASP A 68 1.370 2.616 8.602 1.00 0.00 O ATOM 1048 CB ASP A 68 -1.504 4.545 8.799 1.00 0.00 C ATOM 1049 CG ASP A 68 -1.745 5.510 9.943 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -1.702 6.735 9.704 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -1.977 5.041 11.077 1.00 0.00 O ATOM 0 H ASP A 68 -0.455 3.384 6.636 1.00 0.00 H new ATOM 0 HA ASP A 68 0.382 5.528 8.498 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.146 4.813 7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.789 3.540 9.109 1.00 0.00 H new ATOM 1056 N SER A 69 0.742 3.697 10.473 1.00 0.00 N ATOM 1057 CA SER A 69 1.470 2.803 11.365 1.00 0.00 C ATOM 1058 C SER A 69 1.172 1.344 11.035 1.00 0.00 C ATOM 1059 O SER A 69 0.054 0.868 11.231 1.00 0.00 O ATOM 1060 CB SER A 69 1.104 3.093 12.822 1.00 0.00 C ATOM 1061 OG SER A 69 -0.302 3.138 12.996 1.00 0.00 O ATOM 0 H SER A 69 0.236 4.445 10.947 1.00 0.00 H new ATOM 0 HA SER A 69 2.536 2.979 11.223 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.529 2.324 13.467 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.542 4.043 13.128 1.00 0.00 H new ATOM 0 HG SER A 69 -0.718 2.414 12.484 1.00 0.00 H new ATOM 1067 N ASN A 70 2.180 0.640 10.532 1.00 0.00 N ATOM 1068 CA ASN A 70 2.027 -0.766 10.173 1.00 0.00 C ATOM 1069 C ASN A 70 0.791 -0.973 9.303 1.00 0.00 C ATOM 1070 O ASN A 70 0.161 -2.031 9.341 1.00 0.00 O ATOM 1071 CB ASN A 70 1.928 -1.627 11.433 1.00 0.00 C ATOM 1072 CG ASN A 70 3.240 -1.700 12.189 1.00 0.00 C ATOM 1073 OD1 ASN A 70 4.277 -1.251 11.699 1.00 0.00 O ATOM 1074 ND2 ASN A 70 3.201 -2.267 13.389 1.00 0.00 N ATOM 0 H ASN A 70 3.112 1.019 10.363 1.00 0.00 H new ATOM 0 HA ASN A 70 2.906 -1.068 9.603 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.157 -1.221 12.088 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.614 -2.634 11.158 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.053 -2.344 13.945 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.319 -2.625 13.755 1.00 0.00 H new ATOM 1081 N LEU A 71 0.449 0.043 8.518 1.00 0.00 N ATOM 1082 CA LEU A 71 -0.711 -0.027 7.637 1.00 0.00 C ATOM 1083 C LEU A 71 -0.414 0.628 6.292 1.00 0.00 C ATOM 1084 O LEU A 71 0.263 1.655 6.226 1.00 0.00 O ATOM 1085 CB LEU A 71 -1.916 0.650 8.292 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.289 0.241 7.758 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -3.603 -1.197 8.140 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.366 1.181 8.280 1.00 0.00 C ATOM 0 H LEU A 71 0.959 0.925 8.474 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.942 -1.078 7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.888 0.441 9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.809 1.728 8.175 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.270 0.311 6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.584 -1.471 7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.848 -1.859 7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.603 -1.293 9.226 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.337 0.875 7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.385 1.144 9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.149 2.199 7.955 1.00 0.00 H new ATOM 1100 N PHE A 72 -0.927 0.030 5.222 1.00 0.00 N ATOM 1101 CA PHE A 72 -0.718 0.557 3.878 1.00 0.00 C ATOM 1102 C PHE A 72 -1.940 0.305 2.999 1.00 0.00 C ATOM 1103 O PHE A 72 -2.434 -0.819 2.911 1.00 0.00 O ATOM 1104 CB PHE A 72 0.520 -0.082 3.244 1.00 0.00 C ATOM 1105 CG PHE A 72 0.555 0.036 1.747 1.00 0.00 C ATOM 1106 CD1 PHE A 72 -0.069 -0.910 0.950 1.00 0.00 C ATOM 1107 CD2 PHE A 72 1.213 1.092 1.138 1.00 0.00 C ATOM 1108 CE1 PHE A 72 -0.038 -0.804 -0.428 1.00 0.00 C ATOM 1109 CE2 PHE A 72 1.246 1.203 -0.240 1.00 0.00 C ATOM 1110 CZ PHE A 72 0.621 0.253 -1.023 1.00 0.00 C ATOM 0 H PHE A 72 -1.490 -0.820 5.259 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.564 1.633 3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.413 0.386 3.658 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.556 -1.136 3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.585 -1.739 1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.705 1.837 1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.529 -1.547 -1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.760 2.032 -0.703 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.648 0.337 -2.099 1.00 0.00 H new ATOM 1120 N SER A 73 -2.422 1.361 2.351 1.00 0.00 N ATOM 1121 CA SER A 73 -3.589 1.257 1.483 1.00 0.00 C ATOM 1122 C SER A 73 -3.490 2.240 0.321 1.00 0.00 C ATOM 1123 O SER A 73 -2.692 3.177 0.351 1.00 0.00 O ATOM 1124 CB SER A 73 -4.869 1.517 2.279 1.00 0.00 C ATOM 1125 OG SER A 73 -6.018 1.168 1.526 1.00 0.00 O ATOM 0 H SER A 73 -2.023 2.298 2.411 1.00 0.00 H new ATOM 0 HA SER A 73 -3.621 0.245 1.079 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.848 0.942 3.205 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.920 2.569 2.559 1.00 0.00 H new ATOM 0 HG SER A 73 -5.752 0.618 0.760 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.308 2.020 -0.704 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.313 2.885 -1.877 1.00 0.00 C ATOM 1133 C PHE A 74 -5.709 2.965 -2.488 1.00 0.00 C ATOM 1134 O PHE A 74 -6.623 2.255 -2.068 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.317 2.373 -2.920 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.470 0.910 -3.227 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -4.368 0.482 -4.192 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -2.716 -0.036 -2.552 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -4.512 -0.863 -4.475 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -2.855 -1.382 -2.832 1.00 0.00 C ATOM 1141 CZ PHE A 74 -3.753 -1.796 -3.796 1.00 0.00 C ATOM 0 H PHE A 74 -4.976 1.250 -0.745 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.015 3.885 -1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.441 2.944 -3.840 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.303 2.557 -2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.962 1.207 -4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.011 0.282 -1.798 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.218 -1.184 -5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.262 -2.109 -2.298 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.862 -2.847 -4.019 1.00 0.00 H new ATOM 1151 N GLU A 75 -5.866 3.836 -3.481 1.00 0.00 N ATOM 1152 CA GLU A 75 -7.151 4.009 -4.147 1.00 0.00 C ATOM 1153 C GLU A 75 -7.026 3.747 -5.646 1.00 0.00 C ATOM 1154 O GLU A 75 -6.174 4.327 -6.319 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.687 5.422 -3.909 1.00 0.00 C ATOM 1156 CG GLU A 75 -9.183 5.554 -4.145 1.00 0.00 C ATOM 1157 CD GLU A 75 -9.661 6.990 -4.067 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -8.886 7.895 -4.443 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -10.810 7.211 -3.631 1.00 0.00 O ATOM 0 H GLU A 75 -5.120 4.431 -3.841 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.850 3.287 -3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.462 5.719 -2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.162 6.116 -4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.430 5.146 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.718 4.956 -3.407 1.00 0.00 H new ATOM 1166 N SER A 76 -7.881 2.869 -6.160 1.00 0.00 N ATOM 1167 CA SER A 76 -7.865 2.526 -7.577 1.00 0.00 C ATOM 1168 C SER A 76 -9.026 3.190 -8.310 1.00 0.00 C ATOM 1169 O SER A 76 -10.153 3.217 -7.817 1.00 0.00 O ATOM 1170 CB SER A 76 -7.935 1.008 -7.756 1.00 0.00 C ATOM 1171 OG SER A 76 -9.110 0.479 -7.167 1.00 0.00 O ATOM 0 H SER A 76 -8.594 2.382 -5.616 1.00 0.00 H new ATOM 0 HA SER A 76 -6.932 2.893 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.914 0.763 -8.818 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.058 0.545 -7.305 1.00 0.00 H new ATOM 0 HG SER A 76 -9.391 -0.320 -7.659 1.00 0.00 H new ATOM 1177 N GLY A 77 -8.741 3.726 -9.493 1.00 0.00 N ATOM 1178 CA GLY A 77 -9.771 4.384 -10.277 1.00 0.00 C ATOM 1179 C GLY A 77 -10.994 3.512 -10.476 1.00 0.00 C ATOM 1180 O GLY A 77 -11.083 2.419 -9.915 1.00 0.00 O ATOM 0 H GLY A 77 -7.816 3.717 -9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.065 5.309 -9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.363 4.659 -11.249 1.00 0.00 H new ATOM 1184 N ARG A 78 -11.941 3.995 -11.274 1.00 0.00 N ATOM 1185 CA ARG A 78 -13.166 3.253 -11.542 1.00 0.00 C ATOM 1186 C ARG A 78 -12.971 2.283 -12.705 1.00 0.00 C ATOM 1187 O ARG A 78 -13.602 1.227 -12.758 1.00 0.00 O ATOM 1188 CB ARG A 78 -14.313 4.216 -11.854 1.00 0.00 C ATOM 1189 CG ARG A 78 -14.284 4.757 -13.274 1.00 0.00 C ATOM 1190 CD ARG A 78 -15.070 3.868 -14.226 1.00 0.00 C ATOM 1191 NE ARG A 78 -16.500 4.164 -14.195 1.00 0.00 N ATOM 1192 CZ ARG A 78 -17.048 5.211 -14.801 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -16.288 6.059 -15.481 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -18.357 5.413 -14.727 1.00 0.00 N ATOM 0 H ARG A 78 -11.883 4.897 -11.746 1.00 0.00 H new ATOM 0 HA ARG A 78 -13.416 2.678 -10.650 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -15.261 3.704 -11.688 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.275 5.051 -11.155 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -14.699 5.765 -13.289 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.251 4.833 -13.614 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.694 4.001 -15.240 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.910 2.823 -13.961 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.112 3.531 -13.679 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.281 5.908 -15.539 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.711 6.863 -15.946 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -18.944 4.764 -14.204 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -18.776 6.218 -15.193 1.00 0.00 H new ATOM 1208 N ARG A 79 -12.095 2.651 -13.634 1.00 0.00 N ATOM 1209 CA ARG A 79 -11.818 1.815 -14.796 1.00 0.00 C ATOM 1210 C ARG A 79 -10.839 0.700 -14.443 1.00 0.00 C ATOM 1211 O ARG A 79 -9.680 0.723 -14.859 1.00 0.00 O ATOM 1212 CB ARG A 79 -11.253 2.663 -15.937 1.00 0.00 C ATOM 1213 CG ARG A 79 -12.308 3.464 -16.682 1.00 0.00 C ATOM 1214 CD ARG A 79 -11.742 4.093 -17.945 1.00 0.00 C ATOM 1215 NE ARG A 79 -11.648 3.131 -19.040 1.00 0.00 N ATOM 1216 CZ ARG A 79 -12.690 2.735 -19.762 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -13.899 3.215 -19.506 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -12.524 1.856 -20.743 1.00 0.00 N ATOM 0 H ARG A 79 -11.565 3.522 -13.605 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.756 1.362 -15.119 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.507 3.348 -15.534 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.739 2.011 -16.643 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.144 2.814 -16.941 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.701 4.244 -16.030 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.374 4.928 -18.249 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.753 4.501 -17.735 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.732 2.742 -19.262 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.031 3.890 -18.753 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.697 2.909 -20.062 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.595 1.484 -20.943 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.325 1.553 -21.297 1.00 0.00 H new ATOM 1232 N CYS A 80 -11.312 -0.274 -13.673 1.00 0.00 N ATOM 1233 CA CYS A 80 -10.478 -1.398 -13.262 1.00 0.00 C ATOM 1234 C CYS A 80 -11.313 -2.663 -13.098 1.00 0.00 C ATOM 1235 O CYS A 80 -12.542 -2.610 -13.093 1.00 0.00 O ATOM 1236 CB CYS A 80 -9.757 -1.074 -11.953 1.00 0.00 C ATOM 1237 SG CYS A 80 -10.834 -0.403 -10.665 1.00 0.00 S ATOM 0 H CYS A 80 -12.269 -0.308 -13.321 1.00 0.00 H new ATOM 0 HA CYS A 80 -9.737 -1.573 -14.042 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -9.281 -1.980 -11.578 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -8.961 -0.357 -12.156 1.00 0.00 H new ATOM 0 HG CYS A 80 -10.671 0.885 -10.590 1.00 0.00 H new ATOM 1243 N GLN A 81 -10.636 -3.799 -12.964 1.00 0.00 N ATOM 1244 CA GLN A 81 -11.317 -5.079 -12.802 1.00 0.00 C ATOM 1245 C GLN A 81 -12.195 -5.074 -11.555 1.00 0.00 C ATOM 1246 O GLN A 81 -13.412 -5.243 -11.638 1.00 0.00 O ATOM 1247 CB GLN A 81 -10.297 -6.216 -12.718 1.00 0.00 C ATOM 1248 CG GLN A 81 -10.843 -7.475 -12.064 1.00 0.00 C ATOM 1249 CD GLN A 81 -10.190 -8.737 -12.593 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -10.724 -9.400 -13.482 1.00 0.00 O ATOM 1251 NE2 GLN A 81 -9.027 -9.075 -12.048 1.00 0.00 N ATOM 0 H GLN A 81 -9.618 -3.860 -12.964 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.954 -5.236 -13.672 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.952 -6.459 -13.723 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.428 -5.873 -12.157 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.690 -7.416 -10.986 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.919 -7.530 -12.231 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.621 -8.496 -11.313 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.540 -9.914 -12.364 1.00 0.00 H new ATOM 1260 N THR A 82 -11.570 -4.879 -10.398 1.00 0.00 N ATOM 1261 CA THR A 82 -12.294 -4.854 -9.133 1.00 0.00 C ATOM 1262 C THR A 82 -13.344 -3.749 -9.123 1.00 0.00 C ATOM 1263 O THR A 82 -14.517 -3.997 -8.844 1.00 0.00 O ATOM 1264 CB THR A 82 -11.338 -4.648 -7.943 1.00 0.00 C ATOM 1265 OG1 THR A 82 -10.879 -3.292 -7.911 1.00 0.00 O ATOM 1266 CG2 THR A 82 -10.146 -5.589 -8.037 1.00 0.00 C ATOM 0 H THR A 82 -10.564 -4.736 -10.311 1.00 0.00 H new ATOM 0 HA THR A 82 -12.786 -5.821 -9.031 1.00 0.00 H new ATOM 0 HB THR A 82 -11.884 -4.868 -7.026 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.396 -3.130 -7.074 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.485 -5.425 -7.186 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.496 -6.621 -8.031 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.602 -5.396 -8.961 1.00 0.00 H new ATOM 1274 N GLY A 83 -12.916 -2.528 -9.430 1.00 0.00 N ATOM 1275 CA GLY A 83 -13.833 -1.404 -9.450 1.00 0.00 C ATOM 1276 C GLY A 83 -13.492 -0.358 -8.407 1.00 0.00 C ATOM 1277 O GLY A 83 -12.906 -0.674 -7.372 1.00 0.00 O ATOM 0 H GLY A 83 -11.951 -2.298 -9.665 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.818 -0.945 -10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.848 -1.764 -9.281 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.858 0.890 -8.681 1.00 0.00 N ATOM 1282 CA GLN A 84 -13.584 1.985 -7.758 1.00 0.00 C ATOM 1283 C GLN A 84 -13.696 1.519 -6.310 1.00 0.00 C ATOM 1284 O GLN A 84 -14.647 0.830 -5.941 1.00 0.00 O ATOM 1285 CB GLN A 84 -14.551 3.144 -8.009 1.00 0.00 C ATOM 1286 CG GLN A 84 -14.248 4.380 -7.176 1.00 0.00 C ATOM 1287 CD GLN A 84 -13.256 5.308 -7.849 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -13.627 6.126 -8.692 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -11.987 5.187 -7.479 1.00 0.00 N ATOM 0 H GLN A 84 -14.344 1.168 -9.533 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.564 2.327 -7.932 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.519 3.411 -9.065 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.567 2.812 -7.795 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.175 4.921 -6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.853 4.073 -6.207 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.724 4.496 -6.777 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.275 5.785 -7.897 1.00 0.00 H new ATOM 1298 N GLY A 85 -12.717 1.898 -5.494 1.00 0.00 N ATOM 1299 CA GLY A 85 -12.725 1.508 -4.096 1.00 0.00 C ATOM 1300 C GLY A 85 -11.334 1.489 -3.492 1.00 0.00 C ATOM 1301 O GLY A 85 -10.343 1.332 -4.205 1.00 0.00 O ATOM 0 H GLY A 85 -11.919 2.468 -5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.353 2.198 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.173 0.519 -4.000 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.261 1.651 -2.176 1.00 0.00 N ATOM 1306 CA ILE A 86 -9.981 1.653 -1.477 1.00 0.00 C ATOM 1307 C ILE A 86 -9.688 0.287 -0.864 1.00 0.00 C ATOM 1308 O ILE A 86 -10.563 -0.335 -0.261 1.00 0.00 O ATOM 1309 CB ILE A 86 -9.948 2.719 -0.367 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.153 4.114 -0.962 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -8.631 2.651 0.394 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -10.708 5.117 0.024 1.00 0.00 C ATOM 0 H ILE A 86 -12.072 1.783 -1.572 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.217 1.888 -2.218 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.761 2.519 0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.200 4.481 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.830 4.041 -1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.623 3.411 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.522 1.665 0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.804 2.829 -0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.827 6.083 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.676 4.773 0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.021 5.220 0.864 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.452 -0.172 -1.021 1.00 0.00 N ATOM 1325 CA PHE A 87 -8.042 -1.464 -0.482 1.00 0.00 C ATOM 1326 C PHE A 87 -6.887 -1.302 0.502 1.00 0.00 C ATOM 1327 O PHE A 87 -5.766 -0.976 0.111 1.00 0.00 O ATOM 1328 CB PHE A 87 -7.632 -2.407 -1.616 1.00 0.00 C ATOM 1329 CG PHE A 87 -8.584 -2.395 -2.778 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -9.863 -2.911 -2.648 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -8.198 -1.868 -4.000 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -10.740 -2.902 -3.717 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -9.071 -1.856 -5.072 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.344 -2.373 -4.930 1.00 0.00 C ATOM 0 H PHE A 87 -7.716 0.331 -1.517 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.891 -1.893 0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.638 -2.129 -1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.560 -3.422 -1.226 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.179 -3.325 -1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.204 -1.462 -4.116 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.734 -3.308 -3.604 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.758 -1.443 -6.019 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.028 -2.364 -5.766 1.00 0.00 H new ATOM 1344 N ALA A 88 -7.170 -1.530 1.780 1.00 0.00 N ATOM 1345 CA ALA A 88 -6.156 -1.411 2.820 1.00 0.00 C ATOM 1346 C ALA A 88 -5.665 -2.783 3.269 1.00 0.00 C ATOM 1347 O ALA A 88 -6.432 -3.746 3.305 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.704 -0.630 4.005 1.00 0.00 C ATOM 0 H ALA A 88 -8.093 -1.798 2.120 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.307 -0.869 2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.936 -0.549 4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.997 0.368 3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.572 -1.148 4.412 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.384 -2.866 3.609 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.791 -4.122 4.054 1.00 0.00 C ATOM 1356 C PHE A 89 -3.154 -3.965 5.432 1.00 0.00 C ATOM 1357 O PHE A 89 -2.834 -2.855 5.859 1.00 0.00 O ATOM 1358 CB PHE A 89 -2.743 -4.601 3.048 1.00 0.00 C ATOM 1359 CG PHE A 89 -3.295 -4.829 1.670 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -3.319 -3.802 0.740 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -3.791 -6.070 1.305 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -3.826 -4.009 -0.529 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -4.299 -6.283 0.037 1.00 0.00 C ATOM 1364 CZ PHE A 89 -4.318 -5.251 -0.880 1.00 0.00 C ATOM 0 H PHE A 89 -3.736 -2.079 3.585 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.586 -4.865 4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.941 -3.865 2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.300 -5.528 3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.937 -2.829 1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.781 -6.880 2.019 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.837 -3.201 -1.245 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.681 -7.256 -0.236 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.717 -5.415 -1.870 1.00 0.00 H new ATOM 1374 N LYS A 90 -2.974 -5.084 6.125 1.00 0.00 N ATOM 1375 CA LYS A 90 -2.376 -5.073 7.455 1.00 0.00 C ATOM 1376 C LYS A 90 -0.969 -5.661 7.423 1.00 0.00 C ATOM 1377 O LYS A 90 -0.787 -6.870 7.575 1.00 0.00 O ATOM 1378 CB LYS A 90 -3.247 -5.862 8.435 1.00 0.00 C ATOM 1379 CG LYS A 90 -2.873 -5.645 9.891 1.00 0.00 C ATOM 1380 CD LYS A 90 -3.846 -6.344 10.827 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.971 -5.608 12.152 1.00 0.00 C ATOM 1382 NZ LYS A 90 -4.707 -6.412 13.166 1.00 0.00 N ATOM 0 H LYS A 90 -3.234 -6.011 5.788 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.311 -4.037 7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.290 -5.579 8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.170 -6.924 8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.864 -6.018 10.068 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.860 -4.577 10.109 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.825 -6.410 10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.509 -7.365 11.007 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.977 -5.369 12.530 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.488 -4.661 11.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.771 -5.876 14.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.665 -6.619 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.200 -7.304 13.336 1.00 0.00 H new ATOM 1396 N CYS A 91 0.023 -4.800 7.227 1.00 0.00 N ATOM 1397 CA CYS A 91 1.415 -5.234 7.176 1.00 0.00 C ATOM 1398 C CYS A 91 2.287 -4.372 8.083 1.00 0.00 C ATOM 1399 O CYS A 91 1.994 -3.198 8.309 1.00 0.00 O ATOM 1400 CB CYS A 91 1.937 -5.175 5.740 1.00 0.00 C ATOM 1401 SG CYS A 91 1.564 -3.628 4.882 1.00 0.00 S ATOM 0 H CYS A 91 -0.110 -3.797 7.101 1.00 0.00 H new ATOM 0 HA CYS A 91 1.462 -6.264 7.530 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.017 -5.320 5.751 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.510 -6.003 5.175 1.00 0.00 H new ATOM 0 HG CYS A 91 1.856 -3.750 3.621 1.00 0.00 H new ATOM 1407 N SER A 92 3.358 -4.964 8.601 1.00 0.00 N ATOM 1408 CA SER A 92 4.270 -4.252 9.489 1.00 0.00 C ATOM 1409 C SER A 92 5.281 -3.437 8.688 1.00 0.00 C ATOM 1410 O SER A 92 5.732 -2.380 9.130 1.00 0.00 O ATOM 1411 CB SER A 92 5.002 -5.239 10.401 1.00 0.00 C ATOM 1412 OG SER A 92 5.954 -5.995 9.674 1.00 0.00 O ATOM 0 H SER A 92 3.616 -5.934 8.421 1.00 0.00 H new ATOM 0 HA SER A 92 3.682 -3.569 10.102 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.501 -4.696 11.204 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.281 -5.909 10.869 1.00 0.00 H new ATOM 0 HG SER A 92 6.409 -6.617 10.279 1.00 0.00 H new ATOM 1418 N ARG A 93 5.633 -3.936 7.508 1.00 0.00 N ATOM 1419 CA ARG A 93 6.591 -3.256 6.645 1.00 0.00 C ATOM 1420 C ARG A 93 5.878 -2.514 5.518 1.00 0.00 C ATOM 1421 O ARG A 93 6.230 -2.655 4.348 1.00 0.00 O ATOM 1422 CB ARG A 93 7.585 -4.261 6.059 1.00 0.00 C ATOM 1423 CG ARG A 93 6.924 -5.483 5.444 1.00 0.00 C ATOM 1424 CD ARG A 93 7.953 -6.520 5.023 1.00 0.00 C ATOM 1425 NE ARG A 93 7.329 -7.712 4.454 1.00 0.00 N ATOM 1426 CZ ARG A 93 7.886 -8.917 4.480 1.00 0.00 C ATOM 1427 NH1 ARG A 93 9.073 -9.090 5.044 1.00 0.00 N ATOM 1428 NH2 ARG A 93 7.255 -9.953 3.941 1.00 0.00 N ATOM 0 H ARG A 93 5.269 -4.809 7.127 1.00 0.00 H new ATOM 0 HA ARG A 93 7.133 -2.529 7.249 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.187 -3.763 5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.268 -4.584 6.845 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.233 -5.925 6.162 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.334 -5.182 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.631 -6.081 4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.556 -6.803 5.886 1.00 0.00 H new ATOM 0 HE ARG A 93 6.415 -7.613 4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.561 -8.296 5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.499 -10.017 5.063 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.341 -9.824 3.506 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.684 -10.878 3.961 1.00 0.00 H new ATOM 1442 N ALA A 94 4.872 -1.724 5.881 1.00 0.00 N ATOM 1443 CA ALA A 94 4.110 -0.960 4.901 1.00 0.00 C ATOM 1444 C ALA A 94 4.899 0.253 4.418 1.00 0.00 C ATOM 1445 O ALA A 94 4.752 0.683 3.274 1.00 0.00 O ATOM 1446 CB ALA A 94 2.778 -0.523 5.493 1.00 0.00 C ATOM 0 H ALA A 94 4.566 -1.597 6.846 1.00 0.00 H new ATOM 0 HA ALA A 94 3.920 -1.604 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.219 0.047 4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.203 -1.402 5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.956 0.100 6.369 1.00 0.00 H new ATOM 1452 N GLU A 95 5.734 0.799 5.296 1.00 0.00 N ATOM 1453 CA GLU A 95 6.544 1.963 4.957 1.00 0.00 C ATOM 1454 C GLU A 95 7.461 1.662 3.775 1.00 0.00 C ATOM 1455 O GLU A 95 7.685 2.516 2.918 1.00 0.00 O ATOM 1456 CB GLU A 95 7.376 2.402 6.164 1.00 0.00 C ATOM 1457 CG GLU A 95 8.396 3.481 5.840 1.00 0.00 C ATOM 1458 CD GLU A 95 9.614 3.421 6.741 1.00 0.00 C ATOM 1459 OE1 GLU A 95 9.438 3.314 7.972 1.00 0.00 O ATOM 1460 OE2 GLU A 95 10.744 3.480 6.213 1.00 0.00 O ATOM 0 H GLU A 95 5.867 0.454 6.247 1.00 0.00 H new ATOM 0 HA GLU A 95 5.871 2.773 4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.707 2.769 6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 95 7.894 1.534 6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.711 3.378 4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.926 4.460 5.935 1.00 0.00 H new ATOM 1467 N GLU A 96 7.989 0.442 3.739 1.00 0.00 N ATOM 1468 CA GLU A 96 8.883 0.029 2.664 1.00 0.00 C ATOM 1469 C GLU A 96 8.142 -0.026 1.331 1.00 0.00 C ATOM 1470 O GLU A 96 8.663 0.401 0.301 1.00 0.00 O ATOM 1471 CB GLU A 96 9.496 -1.337 2.977 1.00 0.00 C ATOM 1472 CG GLU A 96 10.417 -1.329 4.185 1.00 0.00 C ATOM 1473 CD GLU A 96 9.721 -0.856 5.446 1.00 0.00 C ATOM 1474 OE1 GLU A 96 9.146 -1.704 6.160 1.00 0.00 O ATOM 1475 OE2 GLU A 96 9.751 0.362 5.719 1.00 0.00 O ATOM 0 H GLU A 96 7.813 -0.276 4.441 1.00 0.00 H new ATOM 0 HA GLU A 96 9.681 0.767 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.694 -2.055 3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.055 -1.683 2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.808 -2.334 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.271 -0.683 3.982 1.00 0.00 H new ATOM 1482 N ILE A 97 6.924 -0.556 1.360 1.00 0.00 N ATOM 1483 CA ILE A 97 6.111 -0.668 0.155 1.00 0.00 C ATOM 1484 C ILE A 97 5.738 0.709 -0.385 1.00 0.00 C ATOM 1485 O ILE A 97 5.886 0.981 -1.576 1.00 0.00 O ATOM 1486 CB ILE A 97 4.823 -1.471 0.417 1.00 0.00 C ATOM 1487 CG1 ILE A 97 5.166 -2.887 0.884 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.962 -1.514 -0.836 1.00 0.00 C ATOM 1489 CD1 ILE A 97 4.003 -3.608 1.529 1.00 0.00 C ATOM 0 H ILE A 97 6.478 -0.915 2.205 1.00 0.00 H new ATOM 0 HA ILE A 97 6.713 -1.195 -0.585 1.00 0.00 H new ATOM 0 HB ILE A 97 4.257 -0.976 1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.515 -3.468 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.991 -2.837 1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.055 -2.085 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.694 -0.499 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.519 -1.989 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.318 -4.605 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.668 -3.049 2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.184 -3.690 0.814 1.00 0.00 H new ATOM 1501 N PHE A 98 5.254 1.574 0.500 1.00 0.00 N ATOM 1502 CA PHE A 98 4.860 2.924 0.112 1.00 0.00 C ATOM 1503 C PHE A 98 6.041 3.687 -0.479 1.00 0.00 C ATOM 1504 O PHE A 98 5.901 4.394 -1.476 1.00 0.00 O ATOM 1505 CB PHE A 98 4.301 3.681 1.319 1.00 0.00 C ATOM 1506 CG PHE A 98 4.064 5.140 1.054 1.00 0.00 C ATOM 1507 CD1 PHE A 98 5.109 6.048 1.120 1.00 0.00 C ATOM 1508 CD2 PHE A 98 2.797 5.603 0.737 1.00 0.00 C ATOM 1509 CE1 PHE A 98 4.893 7.392 0.877 1.00 0.00 C ATOM 1510 CE2 PHE A 98 2.576 6.945 0.493 1.00 0.00 C ATOM 1511 CZ PHE A 98 3.625 7.841 0.562 1.00 0.00 C ATOM 0 H PHE A 98 5.125 1.365 1.490 1.00 0.00 H new ATOM 0 HA PHE A 98 4.084 2.845 -0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.363 3.218 1.625 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.994 3.579 2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.103 5.702 1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.973 4.907 0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.715 8.090 0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.583 7.293 0.248 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.454 8.890 0.370 1.00 0.00 H new ATOM 1521 N ASN A 99 7.206 3.537 0.144 1.00 0.00 N ATOM 1522 CA ASN A 99 8.412 4.213 -0.320 1.00 0.00 C ATOM 1523 C ASN A 99 8.760 3.789 -1.743 1.00 0.00 C ATOM 1524 O ASN A 99 9.097 4.622 -2.586 1.00 0.00 O ATOM 1525 CB ASN A 99 9.584 3.908 0.616 1.00 0.00 C ATOM 1526 CG ASN A 99 9.699 4.914 1.746 1.00 0.00 C ATOM 1527 OD1 ASN A 99 9.851 6.112 1.511 1.00 0.00 O ATOM 1528 ND2 ASN A 99 9.626 4.428 2.979 1.00 0.00 N ATOM 0 H ASN A 99 7.340 2.954 0.970 1.00 0.00 H new ATOM 0 HA ASN A 99 8.222 5.286 -0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.461 2.909 1.034 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.511 3.902 0.043 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.696 5.056 3.780 1.00 0.00 H new ATOM 0 HD22 ASN A 99 9.499 3.427 3.126 1.00 0.00 H new ATOM 1535 N LEU A 100 8.676 2.490 -2.005 1.00 0.00 N ATOM 1536 CA LEU A 100 8.981 1.954 -3.327 1.00 0.00 C ATOM 1537 C LEU A 100 8.017 2.504 -4.373 1.00 0.00 C ATOM 1538 O LEU A 100 8.437 3.026 -5.407 1.00 0.00 O ATOM 1539 CB LEU A 100 8.914 0.426 -3.308 1.00 0.00 C ATOM 1540 CG LEU A 100 9.212 -0.276 -4.634 1.00 0.00 C ATOM 1541 CD1 LEU A 100 10.656 -0.042 -5.049 1.00 0.00 C ATOM 1542 CD2 LEU A 100 8.920 -1.765 -4.526 1.00 0.00 C ATOM 0 H LEU A 100 8.399 1.788 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 100 9.992 2.263 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.618 0.061 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.918 0.130 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 100 8.563 0.146 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.850 -0.549 -5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.832 1.027 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.323 -0.436 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.138 -2.248 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.543 -2.202 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.869 -1.913 -4.276 1.00 0.00 H new ATOM 1554 N LEU A 101 6.723 2.386 -4.098 1.00 0.00 N ATOM 1555 CA LEU A 101 5.698 2.873 -5.014 1.00 0.00 C ATOM 1556 C LEU A 101 5.976 4.316 -5.425 1.00 0.00 C ATOM 1557 O LEU A 101 6.069 4.625 -6.612 1.00 0.00 O ATOM 1558 CB LEU A 101 4.316 2.773 -4.365 1.00 0.00 C ATOM 1559 CG LEU A 101 3.122 3.022 -5.286 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.690 1.729 -5.960 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.966 3.632 -4.508 1.00 0.00 C ATOM 0 H LEU A 101 6.358 1.957 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 101 5.719 2.249 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.212 1.779 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.270 3.487 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 101 3.425 3.728 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.839 1.925 -6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.516 1.333 -6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.405 1.001 -5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.125 3.802 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.663 2.951 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.281 4.581 -4.073 1.00 0.00 H new ATOM 1573 N GLN A 102 6.110 5.192 -4.435 1.00 0.00 N ATOM 1574 CA GLN A 102 6.379 6.602 -4.694 1.00 0.00 C ATOM 1575 C GLN A 102 7.678 6.773 -5.474 1.00 0.00 C ATOM 1576 O GLN A 102 7.869 7.770 -6.171 1.00 0.00 O ATOM 1577 CB GLN A 102 6.454 7.379 -3.379 1.00 0.00 C ATOM 1578 CG GLN A 102 7.667 7.027 -2.533 1.00 0.00 C ATOM 1579 CD GLN A 102 7.995 8.097 -1.509 1.00 0.00 C ATOM 1580 OE1 GLN A 102 7.304 9.112 -1.413 1.00 0.00 O ATOM 1581 NE2 GLN A 102 9.053 7.874 -0.738 1.00 0.00 N ATOM 0 H GLN A 102 6.037 4.951 -3.447 1.00 0.00 H new ATOM 0 HA GLN A 102 5.560 6.998 -5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.471 8.447 -3.598 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.550 7.187 -2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.486 6.082 -2.020 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.528 6.876 -3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.597 7.019 -0.853 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.322 8.558 -0.031 1.00 0.00 H new ATOM 1590 N ASP A 103 8.569 5.795 -5.353 1.00 0.00 N ATOM 1591 CA ASP A 103 9.850 5.837 -6.047 1.00 0.00 C ATOM 1592 C ASP A 103 9.663 5.626 -7.547 1.00 0.00 C ATOM 1593 O ASP A 103 10.166 6.402 -8.361 1.00 0.00 O ATOM 1594 CB ASP A 103 10.795 4.773 -5.485 1.00 0.00 C ATOM 1595 CG ASP A 103 12.249 5.194 -5.557 1.00 0.00 C ATOM 1596 OD1 ASP A 103 12.518 6.413 -5.506 1.00 0.00 O ATOM 1597 OD2 ASP A 103 13.119 4.305 -5.664 1.00 0.00 O ATOM 0 H ASP A 103 8.427 4.963 -4.780 1.00 0.00 H new ATOM 0 HA ASP A 103 10.288 6.822 -5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.530 4.567 -4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 103 10.661 3.844 -6.038 1.00 0.00 H new ATOM 1602 N LEU A 104 8.938 4.573 -7.905 1.00 0.00 N ATOM 1603 CA LEU A 104 8.684 4.259 -9.307 1.00 0.00 C ATOM 1604 C LEU A 104 7.864 5.360 -9.972 1.00 0.00 C ATOM 1605 O LEU A 104 8.014 5.625 -11.164 1.00 0.00 O ATOM 1606 CB LEU A 104 7.955 2.920 -9.427 1.00 0.00 C ATOM 1607 CG LEU A 104 8.502 1.779 -8.569 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.386 0.820 -8.181 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.609 1.040 -9.307 1.00 0.00 C ATOM 0 H LEU A 104 8.515 3.921 -7.244 1.00 0.00 H new ATOM 0 HA LEU A 104 9.645 4.189 -9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.908 3.074 -9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.981 2.607 -10.471 1.00 0.00 H new ATOM 0 HG LEU A 104 8.921 2.205 -7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.794 0.014 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.626 1.357 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.937 0.401 -9.081 1.00 0.00 H new ATOM 0 HD21 LEU A 104 9.986 0.231 -8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.214 0.627 -10.235 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.420 1.732 -9.534 1.00 0.00 H new ATOM 1621 N MET A 105 6.998 5.998 -9.191 1.00 0.00 N ATOM 1622 CA MET A 105 6.156 7.073 -9.704 1.00 0.00 C ATOM 1623 C MET A 105 6.962 8.355 -9.885 1.00 0.00 C ATOM 1624 O MET A 105 7.116 8.849 -11.002 1.00 0.00 O ATOM 1625 CB MET A 105 4.980 7.324 -8.757 1.00 0.00 C ATOM 1626 CG MET A 105 4.023 6.148 -8.652 1.00 0.00 C ATOM 1627 SD MET A 105 2.470 6.587 -7.847 1.00 0.00 S ATOM 1628 CE MET A 105 1.484 7.079 -9.260 1.00 0.00 C ATOM 0 H MET A 105 6.861 5.790 -8.202 1.00 0.00 H new ATOM 0 HA MET A 105 5.771 6.767 -10.677 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.366 7.557 -7.765 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.430 8.201 -9.099 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.814 5.764 -9.651 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.502 5.343 -8.094 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.446 6.788 -9.098 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.543 8.160 -9.386 1.00 0.00 H new ATOM 0 HE3 MET A 105 1.863 6.588 -10.157 1.00 0.00 H new ATOM 1638 N GLN A 106 7.472 8.889 -8.780 1.00 0.00 N ATOM 1639 CA GLN A 106 8.261 10.115 -8.818 1.00 0.00 C ATOM 1640 C GLN A 106 9.268 10.078 -9.962 1.00 0.00 C ATOM 1641 O GLN A 106 9.510 11.090 -10.622 1.00 0.00 O ATOM 1642 CB GLN A 106 8.988 10.320 -7.488 1.00 0.00 C ATOM 1643 CG GLN A 106 10.242 9.473 -7.344 1.00 0.00 C ATOM 1644 CD GLN A 106 11.068 9.856 -6.132 1.00 0.00 C ATOM 1645 OE1 GLN A 106 12.136 10.456 -6.258 1.00 0.00 O ATOM 1646 NE2 GLN A 106 10.577 9.510 -4.947 1.00 0.00 N ATOM 0 H GLN A 106 7.353 8.492 -7.848 1.00 0.00 H new ATOM 0 HA GLN A 106 7.581 10.951 -8.984 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.256 11.372 -7.388 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.306 10.086 -6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.960 8.423 -7.270 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.851 9.577 -8.242 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.688 9.013 -4.889 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.089 9.741 -4.096 1.00 0.00 H new ATOM 2022 N PHE A 136 -12.123 -6.334 0.909 1.00 0.00 N ATOM 2023 CA PHE A 136 -13.056 -5.437 1.581 1.00 0.00 C ATOM 2024 C PHE A 136 -12.738 -3.980 1.257 1.00 0.00 C ATOM 2025 O PHE A 136 -11.729 -3.439 1.709 1.00 0.00 O ATOM 2026 CB PHE A 136 -13.008 -5.657 3.095 1.00 0.00 C ATOM 2027 CG PHE A 136 -14.016 -4.840 3.852 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -13.834 -3.478 4.024 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -15.144 -5.436 4.391 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -14.760 -2.723 4.720 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -16.074 -4.687 5.088 1.00 0.00 C ATOM 2032 CZ PHE A 136 -15.881 -3.329 5.253 1.00 0.00 C ATOM 0 HA PHE A 136 -14.060 -5.661 1.220 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -13.176 -6.713 3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -12.009 -5.414 3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -12.959 -3.000 3.610 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -15.299 -6.497 4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -14.607 -1.661 4.847 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -16.950 -5.163 5.503 1.00 0.00 H new ATOM 0 HZ PHE A 136 -16.606 -2.742 5.798 1.00 0.00 H new ATOM 2042 N ARG A 137 -13.607 -3.352 0.472 1.00 0.00 N ATOM 2043 CA ARG A 137 -13.418 -1.959 0.085 1.00 0.00 C ATOM 2044 C ARG A 137 -13.681 -1.027 1.265 1.00 0.00 C ATOM 2045 O ARG A 137 -14.534 -1.303 2.110 1.00 0.00 O ATOM 2046 CB ARG A 137 -14.345 -1.600 -1.078 1.00 0.00 C ATOM 2047 CG ARG A 137 -13.969 -2.276 -2.387 1.00 0.00 C ATOM 2048 CD ARG A 137 -15.157 -2.357 -3.333 1.00 0.00 C ATOM 2049 NE ARG A 137 -15.985 -3.532 -3.072 1.00 0.00 N ATOM 2050 CZ ARG A 137 -15.721 -4.739 -3.560 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -14.658 -4.929 -4.330 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -16.522 -5.759 -3.279 1.00 0.00 N ATOM 0 H ARG A 137 -14.448 -3.785 0.092 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.383 -1.833 -0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -15.366 -1.876 -0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -14.334 -0.519 -1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -13.160 -1.723 -2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -13.594 -3.279 -2.185 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -15.763 -1.457 -3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.800 -2.387 -4.362 1.00 0.00 H new ATOM 0 HE ARG A 137 -16.810 -3.420 -2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -14.041 -4.147 -4.549 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -14.458 -5.857 -4.703 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -17.341 -5.617 -2.688 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -16.319 -6.685 -3.654 1.00 0.00 H new ATOM 2066 N LEU A 138 -12.944 0.076 1.316 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.096 1.049 2.392 1.00 0.00 C ATOM 2068 C LEU A 138 -13.811 2.302 1.897 1.00 0.00 C ATOM 2069 O LEU A 138 -13.484 2.837 0.837 1.00 0.00 O ATOM 2070 CB LEU A 138 -11.728 1.423 2.967 1.00 0.00 C ATOM 2071 CG LEU A 138 -10.966 0.299 3.669 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -9.521 0.706 3.915 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -11.648 -0.073 4.977 1.00 0.00 C ATOM 0 H LEU A 138 -12.235 0.320 0.625 1.00 0.00 H new ATOM 0 HA LEU A 138 -13.701 0.593 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.107 1.805 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -11.865 2.240 3.675 1.00 0.00 H new ATOM 0 HG LEU A 138 -10.970 -0.577 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.994 -0.107 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.036 0.920 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -9.496 1.596 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -11.091 -0.875 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -11.677 0.797 5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -12.665 -0.409 4.774 1.00 0.00 H new ATOM 2085 N ARG A 139 -14.787 2.765 2.671 1.00 0.00 N ATOM 2086 CA ARG A 139 -15.548 3.956 2.311 1.00 0.00 C ATOM 2087 C ARG A 139 -14.627 5.162 2.154 1.00 0.00 C ATOM 2088 O ARG A 139 -14.637 5.834 1.122 1.00 0.00 O ATOM 2089 CB ARG A 139 -16.612 4.247 3.371 1.00 0.00 C ATOM 2090 CG ARG A 139 -17.917 3.500 3.145 1.00 0.00 C ATOM 2091 CD ARG A 139 -17.866 2.100 3.736 1.00 0.00 C ATOM 2092 NE ARG A 139 -18.806 1.195 3.079 1.00 0.00 N ATOM 2093 CZ ARG A 139 -18.533 0.540 1.956 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -17.354 0.689 1.368 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -19.440 -0.266 1.419 1.00 0.00 N ATOM 0 H ARG A 139 -15.070 2.334 3.551 1.00 0.00 H new ATOM 0 HA ARG A 139 -16.039 3.769 1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -16.217 3.983 4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -16.814 5.318 3.386 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -18.739 4.057 3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -18.122 3.438 2.076 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -16.855 1.703 3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -18.092 2.147 4.801 1.00 0.00 H new ATOM 0 HE ARG A 139 -19.722 1.059 3.506 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -16.654 1.308 1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -17.147 0.185 0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -20.348 -0.383 1.869 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -19.229 -0.768 0.557 1.00 0.00 H new ATOM 2109 N HIS A 140 -13.833 5.432 3.185 1.00 0.00 N ATOM 2110 CA HIS A 140 -12.906 6.558 3.162 1.00 0.00 C ATOM 2111 C HIS A 140 -11.464 6.077 3.296 1.00 0.00 C ATOM 2112 O HIS A 140 -11.212 4.896 3.535 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.235 7.540 4.286 1.00 0.00 C ATOM 2114 CG HIS A 140 -14.698 7.834 4.415 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -15.521 8.049 3.330 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -15.485 7.947 5.510 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -16.751 8.282 3.752 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -16.756 8.226 5.071 1.00 0.00 N ATOM 0 H HIS A 140 -13.813 4.887 4.047 1.00 0.00 H new ATOM 0 HA HIS A 140 -13.014 7.066 2.204 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -12.870 7.135 5.230 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -12.699 8.473 4.111 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -15.172 7.838 6.538 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -17.607 8.484 3.125 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -17.571 8.367 5.667 1.00 0.00 H new ATOM 2127 N PHE A 141 -10.521 7.000 3.141 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.104 6.671 3.244 1.00 0.00 C ATOM 2129 C PHE A 141 -8.677 6.555 4.704 1.00 0.00 C ATOM 2130 O PHE A 141 -8.757 7.509 5.478 1.00 0.00 O ATOM 2131 CB PHE A 141 -8.259 7.732 2.536 1.00 0.00 C ATOM 2132 CG PHE A 141 -6.947 7.210 2.023 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -6.902 6.080 1.222 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -5.760 7.849 2.341 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -5.696 5.597 0.750 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -4.551 7.371 1.871 1.00 0.00 C ATOM 2137 CZ PHE A 141 -4.519 6.244 1.074 1.00 0.00 C ATOM 0 H PHE A 141 -10.712 7.982 2.944 1.00 0.00 H new ATOM 0 HA PHE A 141 -8.945 5.708 2.760 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.829 8.142 1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.069 8.554 3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -7.819 5.571 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -5.779 8.731 2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -5.674 4.714 0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.633 7.878 2.127 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.576 5.869 0.705 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.211 5.358 5.091 1.00 0.00 N ATOM 2148 CA PRO A 142 -7.762 5.088 6.460 1.00 0.00 C ATOM 2149 C PRO A 142 -6.463 5.811 6.797 1.00 0.00 C ATOM 2150 O PRO A 142 -6.341 6.427 7.857 1.00 0.00 O ATOM 2151 CB PRO A 142 -7.549 3.572 6.470 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.277 3.218 5.049 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.087 4.176 4.221 1.00 0.00 C ATOM 0 HA PRO A 142 -8.481 5.436 7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -6.715 3.294 7.114 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.429 3.051 6.846 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.215 3.307 4.821 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -7.562 2.186 4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -7.588 4.418 3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.062 3.761 3.965 1.00 0.00 H new ATOM 2161 N CYS A 143 -5.496 5.734 5.889 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.204 6.382 6.091 1.00 0.00 C ATOM 2163 C CYS A 143 -4.355 7.899 6.114 1.00 0.00 C ATOM 2164 O CYS A 143 -5.394 8.436 5.731 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.226 5.970 4.990 1.00 0.00 C ATOM 2166 SG CYS A 143 -2.879 4.196 4.936 1.00 0.00 S ATOM 0 H CYS A 143 -5.582 5.230 5.006 1.00 0.00 H new ATOM 0 HA CYS A 143 -3.810 6.060 7.055 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -3.629 6.280 4.026 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -2.289 6.508 5.131 1.00 0.00 H new ATOM 0 HG CYS A 143 -2.410 3.881 3.765 1.00 0.00 H new ATOM 2172 N GLY A 144 -3.310 8.586 6.567 1.00 0.00 N ATOM 2173 CA GLY A 144 -3.347 10.035 6.633 1.00 0.00 C ATOM 2174 C GLY A 144 -2.414 10.685 5.631 1.00 0.00 C ATOM 2175 O GLY A 144 -2.842 11.492 4.807 1.00 0.00 O ATOM 0 H GLY A 144 -2.439 8.165 6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -4.366 10.378 6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -3.076 10.357 7.639 1.00 0.00 H new ATOM 2179 N ASN A 145 -1.134 10.334 5.702 1.00 0.00 N ATOM 2180 CA ASN A 145 -0.137 10.891 4.795 1.00 0.00 C ATOM 2181 C ASN A 145 -0.393 10.439 3.361 1.00 0.00 C ATOM 2182 O ASN A 145 0.106 9.401 2.927 1.00 0.00 O ATOM 2183 CB ASN A 145 1.269 10.472 5.230 1.00 0.00 C ATOM 2184 CG ASN A 145 1.442 10.505 6.737 1.00 0.00 C ATOM 2185 OD1 ASN A 145 1.702 11.557 7.320 1.00 0.00 O ATOM 2186 ND2 ASN A 145 1.299 9.348 7.374 1.00 0.00 N ATOM 0 H ASN A 145 -0.763 9.667 6.378 1.00 0.00 H new ATOM 0 HA ASN A 145 -0.214 11.978 4.834 1.00 0.00 H new ATOM 0 HB2 ASN A 145 1.474 9.466 4.865 1.00 0.00 H new ATOM 0 HB3 ASN A 145 2.002 11.134 4.768 1.00 0.00 H new ATOM 0 HD21 ASN A 145 1.405 9.307 8.388 1.00 0.00 H new ATOM 0 HD22 ASN A 145 1.083 8.500 6.849 1.00 0.00 H new ATOM 2193 N VAL A 146 -1.175 11.226 2.629 1.00 0.00 N ATOM 2194 CA VAL A 146 -1.497 10.909 1.243 1.00 0.00 C ATOM 2195 C VAL A 146 -0.478 11.521 0.288 1.00 0.00 C ATOM 2196 O VAL A 146 0.008 12.629 0.510 1.00 0.00 O ATOM 2197 CB VAL A 146 -2.904 11.409 0.865 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -3.175 11.174 -0.613 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -3.960 10.728 1.723 1.00 0.00 C ATOM 0 H VAL A 146 -1.597 12.088 2.973 1.00 0.00 H new ATOM 0 HA VAL A 146 -1.469 9.823 1.152 1.00 0.00 H new ATOM 0 HB VAL A 146 -2.952 12.482 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -4.174 11.533 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -2.437 11.712 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -3.109 10.108 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -4.948 11.093 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -3.914 9.650 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -3.775 10.952 2.774 1.00 0.00 H new ATOM 2209 N ASN A 147 -0.160 10.791 -0.776 1.00 0.00 N ATOM 2210 CA ASN A 147 0.802 11.262 -1.766 1.00 0.00 C ATOM 2211 C ASN A 147 0.154 11.374 -3.143 1.00 0.00 C ATOM 2212 O ASN A 147 -0.568 10.476 -3.576 1.00 0.00 O ATOM 2213 CB ASN A 147 2.003 10.318 -1.830 1.00 0.00 C ATOM 2214 CG ASN A 147 3.221 10.973 -2.452 1.00 0.00 C ATOM 2215 OD1 ASN A 147 3.146 12.092 -2.961 1.00 0.00 O ATOM 2216 ND2 ASN A 147 4.352 10.278 -2.413 1.00 0.00 N ATOM 0 H ASN A 147 -0.554 9.871 -0.975 1.00 0.00 H new ATOM 0 HA ASN A 147 1.143 12.252 -1.463 1.00 0.00 H new ATOM 0 HB2 ASN A 147 2.250 9.980 -0.824 1.00 0.00 H new ATOM 0 HB3 ASN A 147 1.735 9.433 -2.407 1.00 0.00 H new ATOM 0 HD21 ASN A 147 5.204 10.668 -2.815 1.00 0.00 H new ATOM 0 HD22 ASN A 147 4.368 9.354 -1.981 1.00 0.00 H new ATOM 2223 N TYR A 148 0.419 12.481 -3.827 1.00 0.00 N ATOM 2224 CA TYR A 148 -0.139 12.712 -5.154 1.00 0.00 C ATOM 2225 C TYR A 148 0.758 12.113 -6.234 1.00 0.00 C ATOM 2226 O TYR A 148 1.864 12.594 -6.475 1.00 0.00 O ATOM 2227 CB TYR A 148 -0.322 14.210 -5.401 1.00 0.00 C ATOM 2228 CG TYR A 148 -1.131 14.906 -4.330 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -2.320 14.359 -3.864 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -0.705 16.110 -3.782 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -3.063 14.991 -2.886 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -1.441 16.749 -2.802 1.00 0.00 C ATOM 2233 CZ TYR A 148 -2.619 16.186 -2.358 1.00 0.00 C ATOM 2234 OH TYR A 148 -3.355 16.818 -1.383 1.00 0.00 O ATOM 0 H TYR A 148 1.017 13.233 -3.484 1.00 0.00 H new ATOM 0 HA TYR A 148 -1.111 12.222 -5.201 1.00 0.00 H new ATOM 0 HB2 TYR A 148 0.659 14.681 -5.467 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -0.811 14.354 -6.365 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -2.670 13.423 -4.274 1.00 0.00 H new ATOM 0 HD2 TYR A 148 0.217 16.554 -4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -3.986 14.552 -2.537 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -1.095 17.684 -2.386 1.00 0.00 H new ATOM 0 HH TYR A 148 -2.904 17.647 -1.118 1.00 0.00 H new ATOM 2244 N GLY A 149 0.271 11.059 -6.881 1.00 0.00 N ATOM 2245 CA GLY A 149 1.040 10.411 -7.927 1.00 0.00 C ATOM 2246 C GLY A 149 1.310 11.330 -9.103 1.00 0.00 C ATOM 2247 O GLY A 149 1.913 12.391 -8.944 1.00 0.00 O ATOM 0 H GLY A 149 -0.642 10.642 -6.700 1.00 0.00 H new ATOM 0 HA2 GLY A 149 1.988 10.065 -7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 149 0.503 9.529 -8.275 1.00 0.00 H new