USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 560 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 35 SER OG : rot 180:sc= 0.0242 USER MOD Set 1.2: A 36 CYS SG : rot -150:sc= 0.0107 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -115:sc= -0.0301 (180deg=-0.758) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -91:sc= 0.305 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= 0.876 (180deg=0.591) USER MOD Single : A 42 ASN : amide:sc= 0.602 K(o=0.6,f=-0.11) USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.13) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00743 USER MOD Single : A 48 ASN : amide:sc= -0.175 K(o=-0.18,f=-1.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.454 X(o=0.45,f=-0.038) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -173:sc= -0.228 (180deg=-0.376) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 63 MET CE :methyl 175:sc= -0.594 (180deg=-0.686) USER MOD Single : A 66 CYS SG : rot 20:sc= -0.594 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0394 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00587 USER MOD Single : A 74 SER OG : rot -44:sc= 0.129 USER MOD Single : A 78 GLN : amide:sc= 0.886 K(o=0.89,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 80:sc= -0.532 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 254 N PHE A 20 7.985 -10.254 5.790 1.00 0.00 N ATOM 255 CA PHE A 20 6.919 -9.368 5.336 1.00 0.00 C ATOM 256 C PHE A 20 7.506 -8.221 4.503 1.00 0.00 C ATOM 257 O PHE A 20 8.724 -8.037 4.429 1.00 0.00 O ATOM 258 CB PHE A 20 6.152 -8.832 6.561 1.00 0.00 C ATOM 259 CG PHE A 20 4.905 -9.628 6.889 1.00 0.00 C ATOM 260 CD1 PHE A 20 4.989 -10.992 7.230 1.00 0.00 C ATOM 261 CD2 PHE A 20 3.643 -9.009 6.809 1.00 0.00 C ATOM 262 CE1 PHE A 20 3.819 -11.736 7.459 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.474 -9.750 7.043 1.00 0.00 C ATOM 264 CZ PHE A 20 2.561 -11.117 7.354 1.00 0.00 C ATOM 0 HA PHE A 20 6.225 -9.918 4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.815 -8.838 7.426 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.874 -7.794 6.380 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.955 -11.467 7.316 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.574 -7.959 6.566 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.886 -12.783 7.716 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.509 -9.269 6.984 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.661 -11.693 7.513 1.00 0.00 H new ATOM 274 N VAL A 21 6.636 -7.422 3.890 1.00 0.00 N ATOM 275 CA VAL A 21 6.978 -6.271 3.071 1.00 0.00 C ATOM 276 C VAL A 21 5.893 -5.218 3.303 1.00 0.00 C ATOM 277 O VAL A 21 4.727 -5.547 3.547 1.00 0.00 O ATOM 278 CB VAL A 21 7.138 -6.718 1.598 1.00 0.00 C ATOM 279 CG1 VAL A 21 5.914 -7.447 1.021 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.468 -5.548 0.667 1.00 0.00 C ATOM 0 H VAL A 21 5.629 -7.569 3.956 1.00 0.00 H new ATOM 0 HA VAL A 21 7.935 -5.825 3.340 1.00 0.00 H new ATOM 0 HB VAL A 21 7.970 -7.421 1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.111 -7.725 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.716 -8.345 1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.046 -6.789 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.570 -5.914 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.666 -4.811 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.403 -5.085 0.982 1.00 0.00 H new ATOM 290 N THR A 22 6.282 -3.949 3.259 1.00 0.00 N ATOM 291 CA THR A 22 5.363 -2.844 3.449 1.00 0.00 C ATOM 292 C THR A 22 4.883 -2.410 2.060 1.00 0.00 C ATOM 293 O THR A 22 5.650 -2.409 1.090 1.00 0.00 O ATOM 294 CB THR A 22 6.068 -1.711 4.217 1.00 0.00 C ATOM 295 OG1 THR A 22 6.891 -2.235 5.245 1.00 0.00 O ATOM 296 CG2 THR A 22 5.088 -0.735 4.869 1.00 0.00 C ATOM 0 H THR A 22 7.246 -3.662 3.090 1.00 0.00 H new ATOM 0 HA THR A 22 4.498 -3.129 4.048 1.00 0.00 H new ATOM 0 HB THR A 22 6.659 -1.178 3.472 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.331 -1.499 5.719 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.644 0.041 5.396 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.465 -0.277 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.456 -1.272 5.576 1.00 0.00 H new ATOM 304 N MET A 23 3.614 -2.040 1.963 1.00 0.00 N ATOM 305 CA MET A 23 2.935 -1.582 0.762 1.00 0.00 C ATOM 306 C MET A 23 2.360 -0.209 1.074 1.00 0.00 C ATOM 307 O MET A 23 2.135 0.116 2.243 1.00 0.00 O ATOM 308 CB MET A 23 1.803 -2.563 0.414 1.00 0.00 C ATOM 309 CG MET A 23 2.247 -3.696 -0.510 1.00 0.00 C ATOM 310 SD MET A 23 2.399 -3.201 -2.241 1.00 0.00 S ATOM 311 CE MET A 23 2.623 -4.822 -3.004 1.00 0.00 C ATOM 0 H MET A 23 2.993 -2.053 2.772 1.00 0.00 H new ATOM 0 HA MET A 23 3.617 -1.529 -0.087 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.405 -2.989 1.335 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.989 -2.014 -0.060 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.207 -4.080 -0.165 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.531 -4.515 -0.437 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.618 -4.882 -3.445 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.514 -5.599 -2.247 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.873 -4.965 -3.781 1.00 0.00 H new ATOM 321 N THR A 24 2.174 0.617 0.051 1.00 0.00 N ATOM 322 CA THR A 24 1.618 1.956 0.162 1.00 0.00 C ATOM 323 C THR A 24 0.550 2.107 -0.930 1.00 0.00 C ATOM 324 O THR A 24 0.505 1.314 -1.881 1.00 0.00 O ATOM 325 CB THR A 24 2.742 3.010 0.163 1.00 0.00 C ATOM 326 OG1 THR A 24 3.759 2.633 1.080 1.00 0.00 O ATOM 327 CG2 THR A 24 2.272 4.382 0.612 1.00 0.00 C ATOM 0 H THR A 24 2.414 0.363 -0.907 1.00 0.00 H new ATOM 0 HA THR A 24 1.115 2.123 1.114 1.00 0.00 H new ATOM 0 HB THR A 24 3.096 3.060 -0.867 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.471 3.307 1.074 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.110 5.079 0.591 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.489 4.736 -0.059 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.879 4.318 1.627 1.00 0.00 H new ATOM 335 N LEU A 25 -0.381 3.043 -0.736 1.00 0.00 N ATOM 336 CA LEU A 25 -1.467 3.349 -1.649 1.00 0.00 C ATOM 337 C LEU A 25 -1.615 4.873 -1.636 1.00 0.00 C ATOM 338 O LEU A 25 -1.975 5.427 -0.594 1.00 0.00 O ATOM 339 CB LEU A 25 -2.738 2.604 -1.199 1.00 0.00 C ATOM 340 CG LEU A 25 -3.813 2.525 -2.295 1.00 0.00 C ATOM 341 CD1 LEU A 25 -3.458 1.483 -3.362 1.00 0.00 C ATOM 342 CD2 LEU A 25 -5.171 2.162 -1.684 1.00 0.00 C ATOM 0 H LEU A 25 -0.393 3.629 0.099 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.276 3.019 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.469 1.594 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.155 3.105 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.864 3.506 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.241 1.456 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.510 1.749 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.370 0.501 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.922 2.110 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.099 1.195 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.459 2.923 -0.958 1.00 0.00 H new ATOM 354 N GLU A 26 -1.318 5.558 -2.740 1.00 0.00 N ATOM 355 CA GLU A 26 -1.394 7.015 -2.866 1.00 0.00 C ATOM 356 C GLU A 26 -2.717 7.442 -3.523 1.00 0.00 C ATOM 357 O GLU A 26 -3.076 6.985 -4.614 1.00 0.00 O ATOM 358 CB GLU A 26 -0.123 7.560 -3.547 1.00 0.00 C ATOM 359 CG GLU A 26 1.071 7.491 -2.575 1.00 0.00 C ATOM 360 CD GLU A 26 2.394 8.045 -3.124 1.00 0.00 C ATOM 361 OE1 GLU A 26 3.222 7.267 -3.673 1.00 0.00 O ATOM 362 OE2 GLU A 26 2.680 9.235 -2.883 1.00 0.00 O ATOM 0 H GLU A 26 -1.008 5.101 -3.598 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.414 7.474 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.095 6.981 -4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.284 8.590 -3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.814 8.040 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.223 6.451 -2.285 1.00 0.00 H new ATOM 369 N SER A 27 -3.456 8.289 -2.799 1.00 0.00 N ATOM 370 CA SER A 27 -4.766 8.862 -3.135 1.00 0.00 C ATOM 371 C SER A 27 -4.663 10.125 -4.003 1.00 0.00 C ATOM 372 O SER A 27 -3.567 10.623 -4.269 1.00 0.00 O ATOM 373 CB SER A 27 -5.541 9.199 -1.836 1.00 0.00 C ATOM 374 OG SER A 27 -4.805 8.983 -0.642 1.00 0.00 O ATOM 0 H SER A 27 -3.129 8.618 -1.891 1.00 0.00 H new ATOM 0 HA SER A 27 -5.298 8.109 -3.717 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.852 10.243 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.449 8.597 -1.803 1.00 0.00 H new ATOM 0 HG SER A 27 -4.961 8.070 -0.322 1.00 0.00 H new ATOM 380 N LEU A 28 -5.821 10.645 -4.428 1.00 0.00 N ATOM 381 CA LEU A 28 -5.960 11.850 -5.246 1.00 0.00 C ATOM 382 C LEU A 28 -6.104 13.103 -4.378 1.00 0.00 C ATOM 383 O LEU A 28 -5.656 14.170 -4.803 1.00 0.00 O ATOM 384 CB LEU A 28 -7.202 11.728 -6.152 1.00 0.00 C ATOM 385 CG LEU A 28 -6.895 11.097 -7.521 1.00 0.00 C ATOM 386 CD1 LEU A 28 -8.188 10.621 -8.192 1.00 0.00 C ATOM 387 CD2 LEU A 28 -6.202 12.104 -8.450 1.00 0.00 C ATOM 0 H LEU A 28 -6.720 10.219 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.058 11.945 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.957 11.128 -5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.631 12.718 -6.304 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.231 10.250 -7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.954 10.177 -9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.674 9.878 -7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.858 11.469 -8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.997 11.631 -9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.852 12.966 -8.601 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.265 12.430 -7.999 1.00 0.00 H new ATOM 399 N GLU A 29 -6.738 13.006 -3.205 1.00 0.00 N ATOM 400 CA GLU A 29 -6.953 14.118 -2.273 1.00 0.00 C ATOM 401 C GLU A 29 -6.984 13.581 -0.833 1.00 0.00 C ATOM 402 O GLU A 29 -6.845 12.380 -0.599 1.00 0.00 O ATOM 403 CB GLU A 29 -8.294 14.828 -2.562 1.00 0.00 C ATOM 404 CG GLU A 29 -8.309 15.703 -3.818 1.00 0.00 C ATOM 405 CD GLU A 29 -9.543 16.608 -3.803 1.00 0.00 C ATOM 406 OE1 GLU A 29 -10.628 16.149 -4.234 1.00 0.00 O ATOM 407 OE2 GLU A 29 -9.448 17.753 -3.309 1.00 0.00 O ATOM 0 H GLU A 29 -7.127 12.126 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.137 14.830 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.074 14.073 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.551 15.448 -1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.403 16.308 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.317 15.076 -4.709 1.00 0.00 H new ATOM 414 N GLU A 30 -7.147 14.486 0.135 1.00 0.00 N ATOM 415 CA GLU A 30 -7.231 14.203 1.559 1.00 0.00 C ATOM 416 C GLU A 30 -8.542 13.469 1.844 1.00 0.00 C ATOM 417 O GLU A 30 -9.642 14.028 1.728 1.00 0.00 O ATOM 418 CB GLU A 30 -7.153 15.507 2.370 1.00 0.00 C ATOM 419 CG GLU A 30 -5.697 15.855 2.691 1.00 0.00 C ATOM 420 CD GLU A 30 -5.589 17.251 3.312 1.00 0.00 C ATOM 421 OE1 GLU A 30 -5.972 17.408 4.495 1.00 0.00 O ATOM 422 OE2 GLU A 30 -5.156 18.210 2.629 1.00 0.00 O ATOM 0 H GLU A 30 -7.227 15.482 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.393 13.573 1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.611 16.320 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.720 15.401 3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.286 15.115 3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.100 15.811 1.780 1.00 0.00 H new ATOM 429 N ILE A 31 -8.400 12.196 2.188 1.00 0.00 N ATOM 430 CA ILE A 31 -9.476 11.273 2.527 1.00 0.00 C ATOM 431 C ILE A 31 -9.968 11.534 3.958 1.00 0.00 C ATOM 432 O ILE A 31 -9.458 12.427 4.633 1.00 0.00 O ATOM 433 CB ILE A 31 -8.959 9.829 2.359 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.757 9.521 3.291 1.00 0.00 C ATOM 435 CG2 ILE A 31 -8.634 9.570 0.877 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.366 8.044 3.254 1.00 0.00 C ATOM 0 H ILE A 31 -7.482 11.755 2.241 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.326 11.423 1.861 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.746 9.140 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.903 10.129 2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.009 9.804 4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.269 8.550 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.535 9.705 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.868 10.271 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.521 7.875 3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.211 7.436 3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.087 7.767 2.237 1.00 0.00 H new ATOM 448 N GLN A 32 -10.980 10.798 4.427 1.00 0.00 N ATOM 449 CA GLN A 32 -11.468 10.972 5.789 1.00 0.00 C ATOM 450 C GLN A 32 -10.526 10.214 6.732 1.00 0.00 C ATOM 451 O GLN A 32 -9.886 10.814 7.587 1.00 0.00 O ATOM 452 CB GLN A 32 -12.942 10.555 5.936 1.00 0.00 C ATOM 453 CG GLN A 32 -13.511 11.092 7.262 1.00 0.00 C ATOM 454 CD GLN A 32 -15.000 10.797 7.422 1.00 0.00 C ATOM 455 OE1 GLN A 32 -15.390 9.963 8.241 1.00 0.00 O ATOM 456 NE2 GLN A 32 -15.855 11.480 6.678 1.00 0.00 N ATOM 0 H GLN A 32 -11.470 10.085 3.887 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.458 12.029 6.057 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.523 10.941 5.098 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.026 9.469 5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -12.965 10.648 8.094 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.350 12.169 7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -15.511 12.166 6.006 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.858 11.321 6.777 1.00 0.00 H new ATOM 465 N ASP A 33 -10.450 8.883 6.614 1.00 0.00 N ATOM 466 CA ASP A 33 -9.601 8.024 7.444 1.00 0.00 C ATOM 467 C ASP A 33 -9.393 6.681 6.719 1.00 0.00 C ATOM 468 O ASP A 33 -9.873 6.524 5.590 1.00 0.00 O ATOM 469 CB ASP A 33 -10.246 7.832 8.831 1.00 0.00 C ATOM 470 CG ASP A 33 -9.195 7.689 9.932 1.00 0.00 C ATOM 471 OD1 ASP A 33 -8.477 6.669 9.963 1.00 0.00 O ATOM 472 OD2 ASP A 33 -9.091 8.600 10.793 1.00 0.00 O ATOM 0 H ASP A 33 -10.990 8.363 5.923 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.627 8.487 7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.891 8.682 9.053 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.880 6.946 8.817 1.00 0.00 H new ATOM 477 N VAL A 34 -8.721 5.701 7.346 1.00 0.00 N ATOM 478 CA VAL A 34 -8.454 4.366 6.783 1.00 0.00 C ATOM 479 C VAL A 34 -9.758 3.648 6.367 1.00 0.00 C ATOM 480 O VAL A 34 -9.738 2.654 5.642 1.00 0.00 O ATOM 481 CB VAL A 34 -7.589 3.505 7.741 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.189 4.083 8.021 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.273 3.209 9.085 1.00 0.00 C ATOM 0 H VAL A 34 -8.338 5.818 8.284 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.871 4.507 5.873 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.471 2.574 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.651 3.420 8.699 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.638 4.170 7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.287 5.068 8.478 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.611 2.603 9.704 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.491 4.146 9.596 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.202 2.667 8.909 1.00 0.00 H new ATOM 493 N SER A 35 -10.908 4.132 6.844 1.00 0.00 N ATOM 494 CA SER A 35 -12.255 3.655 6.569 1.00 0.00 C ATOM 495 C SER A 35 -12.546 3.697 5.065 1.00 0.00 C ATOM 496 O SER A 35 -13.304 2.875 4.549 1.00 0.00 O ATOM 497 CB SER A 35 -13.216 4.604 7.301 1.00 0.00 C ATOM 498 OG SER A 35 -12.860 5.958 7.041 1.00 0.00 O ATOM 0 H SER A 35 -10.916 4.929 7.481 1.00 0.00 H new ATOM 0 HA SER A 35 -12.372 2.624 6.904 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.240 4.420 6.975 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.184 4.411 8.373 1.00 0.00 H new ATOM 0 HG SER A 35 -13.479 6.555 7.511 1.00 0.00 H new ATOM 504 N CYS A 36 -11.976 4.682 4.364 1.00 0.00 N ATOM 505 CA CYS A 36 -12.136 4.864 2.932 1.00 0.00 C ATOM 506 C CYS A 36 -11.370 3.746 2.219 1.00 0.00 C ATOM 507 O CYS A 36 -11.939 3.020 1.400 1.00 0.00 O ATOM 508 CB CYS A 36 -11.620 6.258 2.536 1.00 0.00 C ATOM 509 SG CYS A 36 -12.484 7.556 3.482 1.00 0.00 S ATOM 0 H CYS A 36 -11.378 5.388 4.794 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.185 4.808 2.640 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.547 6.320 2.719 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.771 6.418 1.468 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.545 8.643 2.771 1.00 0.00 H new ATOM 515 N ALA A 37 -10.089 3.587 2.573 1.00 0.00 N ATOM 516 CA ALA A 37 -9.217 2.580 1.988 1.00 0.00 C ATOM 517 C ALA A 37 -9.776 1.176 2.164 1.00 0.00 C ATOM 518 O ALA A 37 -9.822 0.425 1.194 1.00 0.00 O ATOM 519 CB ALA A 37 -7.815 2.650 2.599 1.00 0.00 C ATOM 0 H ALA A 37 -9.632 4.162 3.280 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.158 2.795 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.182 1.887 2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.386 3.635 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.877 2.478 3.673 1.00 0.00 H new ATOM 525 N TRP A 38 -10.222 0.809 3.372 1.00 0.00 N ATOM 526 CA TRP A 38 -10.763 -0.522 3.625 1.00 0.00 C ATOM 527 C TRP A 38 -11.861 -0.892 2.635 1.00 0.00 C ATOM 528 O TRP A 38 -11.861 -2.021 2.133 1.00 0.00 O ATOM 529 CB TRP A 38 -11.254 -0.680 5.071 1.00 0.00 C ATOM 530 CG TRP A 38 -10.222 -1.105 6.075 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.985 -0.493 7.256 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.306 -2.246 6.027 1.00 0.00 C ATOM 533 NE1 TRP A 38 -9.036 -1.200 7.965 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.575 -2.287 7.251 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.004 -3.244 5.070 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.602 -3.263 7.512 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.008 -4.209 5.311 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.319 -4.227 6.532 1.00 0.00 C ATOM 0 H TRP A 38 -10.216 1.421 4.188 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.939 -1.220 3.479 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.678 0.270 5.395 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -12.064 -1.410 5.081 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.466 0.413 7.594 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.715 -0.950 8.900 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -9.548 -3.266 4.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -7.077 -3.273 8.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -7.773 -4.940 4.551 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.570 -4.983 6.718 1.00 0.00 H new ATOM 549 N LYS A 39 -12.769 0.040 2.324 1.00 0.00 N ATOM 550 CA LYS A 39 -13.856 -0.216 1.385 1.00 0.00 C ATOM 551 C LYS A 39 -13.326 -0.419 -0.022 1.00 0.00 C ATOM 552 O LYS A 39 -13.676 -1.409 -0.667 1.00 0.00 O ATOM 553 CB LYS A 39 -14.867 0.940 1.365 1.00 0.00 C ATOM 554 CG LYS A 39 -15.614 1.070 2.697 1.00 0.00 C ATOM 555 CD LYS A 39 -16.625 2.221 2.613 1.00 0.00 C ATOM 556 CE LYS A 39 -17.123 2.618 4.005 1.00 0.00 C ATOM 557 NZ LYS A 39 -16.116 3.407 4.744 1.00 0.00 N ATOM 0 H LYS A 39 -12.768 0.982 2.714 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.354 -1.124 1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.347 1.873 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.585 0.780 0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.129 0.137 2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.906 1.253 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.162 3.081 2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.470 1.923 1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.041 3.198 3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.369 1.721 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.242 3.261 5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.162 3.100 4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.234 4.416 4.521 1.00 0.00 H new ATOM 571 N GLU A 40 -12.504 0.503 -0.520 1.00 0.00 N ATOM 572 CA GLU A 40 -11.956 0.405 -1.869 1.00 0.00 C ATOM 573 C GLU A 40 -11.116 -0.864 -2.038 1.00 0.00 C ATOM 574 O GLU A 40 -11.276 -1.590 -3.018 1.00 0.00 O ATOM 575 CB GLU A 40 -11.207 1.698 -2.199 1.00 0.00 C ATOM 576 CG GLU A 40 -10.893 1.806 -3.707 1.00 0.00 C ATOM 577 CD GLU A 40 -10.851 3.250 -4.241 1.00 0.00 C ATOM 578 OE1 GLU A 40 -11.165 4.220 -3.520 1.00 0.00 O ATOM 579 OE2 GLU A 40 -10.456 3.434 -5.416 1.00 0.00 O ATOM 0 H GLU A 40 -12.202 1.330 -0.005 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.761 0.304 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.806 2.555 -1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.278 1.736 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.932 1.330 -3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.644 1.246 -4.264 1.00 0.00 H new ATOM 586 N LEU A 41 -10.288 -1.189 -1.047 1.00 0.00 N ATOM 587 CA LEU A 41 -9.459 -2.384 -1.057 1.00 0.00 C ATOM 588 C LEU A 41 -10.393 -3.591 -1.122 1.00 0.00 C ATOM 589 O LEU A 41 -10.216 -4.450 -1.973 1.00 0.00 O ATOM 590 CB LEU A 41 -8.564 -2.432 0.194 1.00 0.00 C ATOM 591 CG LEU A 41 -7.392 -1.431 0.138 1.00 0.00 C ATOM 592 CD1 LEU A 41 -6.855 -1.178 1.550 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.245 -1.931 -0.748 1.00 0.00 C ATOM 0 H LEU A 41 -10.176 -0.621 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.793 -2.384 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.170 -2.223 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.167 -3.440 0.311 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.778 -0.508 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.027 -0.470 1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.649 -0.767 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.506 -2.117 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.443 -1.193 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.866 -2.874 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.609 -2.082 -1.764 1.00 0.00 H new ATOM 605 N ASN A 42 -11.424 -3.658 -0.271 1.00 0.00 N ATOM 606 CA ASN A 42 -12.376 -4.775 -0.270 1.00 0.00 C ATOM 607 C ASN A 42 -13.160 -4.849 -1.591 1.00 0.00 C ATOM 608 O ASN A 42 -13.672 -5.923 -1.920 1.00 0.00 O ATOM 609 CB ASN A 42 -13.343 -4.690 0.931 1.00 0.00 C ATOM 610 CG ASN A 42 -12.851 -5.466 2.144 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.200 -6.631 2.333 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.033 -4.841 2.973 1.00 0.00 N ATOM 0 H ASN A 42 -11.621 -2.945 0.431 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.794 -5.692 -0.172 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.481 -3.644 1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.319 -5.073 0.633 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.673 -5.325 3.796 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.761 -3.875 2.790 1.00 0.00 H new ATOM 619 N ARG A 43 -13.290 -3.753 -2.355 1.00 0.00 N ATOM 620 CA ARG A 43 -14.012 -3.757 -3.630 1.00 0.00 C ATOM 621 C ARG A 43 -13.212 -4.439 -4.720 1.00 0.00 C ATOM 622 O ARG A 43 -13.770 -5.217 -5.490 1.00 0.00 O ATOM 623 CB ARG A 43 -14.324 -2.325 -4.139 1.00 0.00 C ATOM 624 CG ARG A 43 -15.483 -1.590 -3.458 1.00 0.00 C ATOM 625 CD ARG A 43 -16.780 -1.644 -4.282 1.00 0.00 C ATOM 626 NE ARG A 43 -17.260 -3.024 -4.435 1.00 0.00 N ATOM 627 CZ ARG A 43 -17.886 -3.745 -3.498 1.00 0.00 C ATOM 628 NH1 ARG A 43 -18.279 -3.191 -2.356 1.00 0.00 N ATOM 629 NH2 ARG A 43 -18.089 -5.039 -3.687 1.00 0.00 N ATOM 0 H ARG A 43 -12.898 -2.845 -2.105 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.939 -4.294 -3.429 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.424 -1.720 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.538 -2.382 -5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -15.661 -2.030 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.203 -0.549 -3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.547 -1.042 -3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.607 -1.206 -5.265 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.102 -3.473 -5.337 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.105 -2.201 -2.183 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -18.755 -3.756 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -17.768 -5.485 -4.546 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -18.566 -5.590 -2.973 1.00 0.00 H new ATOM 643 N LYS A 44 -11.931 -4.110 -4.826 1.00 0.00 N ATOM 644 CA LYS A 44 -11.066 -4.665 -5.853 1.00 0.00 C ATOM 645 C LYS A 44 -10.374 -5.951 -5.456 1.00 0.00 C ATOM 646 O LYS A 44 -10.031 -6.739 -6.339 1.00 0.00 O ATOM 647 CB LYS A 44 -9.977 -3.631 -6.152 1.00 0.00 C ATOM 648 CG LYS A 44 -10.465 -2.286 -6.688 1.00 0.00 C ATOM 649 CD LYS A 44 -11.055 -2.388 -8.105 1.00 0.00 C ATOM 650 CE LYS A 44 -12.570 -2.607 -8.094 1.00 0.00 C ATOM 651 NZ LYS A 44 -13.059 -2.965 -9.435 1.00 0.00 N ATOM 0 H LYS A 44 -11.465 -3.451 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.700 -4.895 -6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.411 -3.452 -5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.285 -4.060 -6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.220 -1.883 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.635 -1.580 -6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.827 -1.476 -8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.576 -3.210 -8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.822 -3.398 -7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.070 -1.701 -7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.065 -3.224 -9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.945 -2.153 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.513 -3.772 -9.799 1.00 0.00 H new ATOM 665 N LEU A 45 -10.136 -6.171 -4.167 1.00 0.00 N ATOM 666 CA LEU A 45 -9.429 -7.359 -3.694 1.00 0.00 C ATOM 667 C LEU A 45 -10.401 -8.408 -3.183 1.00 0.00 C ATOM 668 O LEU A 45 -11.575 -8.130 -2.923 1.00 0.00 O ATOM 669 CB LEU A 45 -8.391 -6.988 -2.611 1.00 0.00 C ATOM 670 CG LEU A 45 -7.271 -6.034 -3.094 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.506 -5.481 -1.887 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.288 -6.749 -4.026 1.00 0.00 C ATOM 0 H LEU A 45 -10.425 -5.536 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.893 -7.789 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.910 -6.523 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.934 -7.903 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.741 -5.221 -3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.719 -4.810 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.192 -4.934 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.062 -6.305 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.515 -6.050 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.826 -7.583 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.822 -7.124 -4.899 1.00 0.00 H new ATOM 684 N SER A 46 -9.920 -9.640 -3.071 1.00 0.00 N ATOM 685 CA SER A 46 -10.708 -10.743 -2.572 1.00 0.00 C ATOM 686 C SER A 46 -10.699 -10.557 -1.061 1.00 0.00 C ATOM 687 O SER A 46 -9.653 -10.293 -0.467 1.00 0.00 O ATOM 688 CB SER A 46 -10.091 -12.075 -3.005 1.00 0.00 C ATOM 689 OG SER A 46 -11.078 -13.079 -3.151 1.00 0.00 O ATOM 0 H SER A 46 -8.966 -9.896 -3.327 1.00 0.00 H new ATOM 0 HA SER A 46 -11.726 -10.759 -2.960 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.562 -11.943 -3.949 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.353 -12.392 -2.268 1.00 0.00 H new ATOM 0 HG SER A 46 -10.653 -13.917 -3.430 1.00 0.00 H new ATOM 695 N SER A 47 -11.845 -10.743 -0.426 1.00 0.00 N ATOM 696 CA SER A 47 -12.023 -10.584 1.011 1.00 0.00 C ATOM 697 C SER A 47 -11.068 -11.426 1.880 1.00 0.00 C ATOM 698 O SER A 47 -10.857 -11.084 3.045 1.00 0.00 O ATOM 699 CB SER A 47 -13.489 -10.838 1.318 1.00 0.00 C ATOM 700 OG SER A 47 -14.294 -10.031 0.469 1.00 0.00 O ATOM 0 H SER A 47 -12.701 -11.016 -0.908 1.00 0.00 H new ATOM 0 HA SER A 47 -11.747 -9.566 1.284 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.726 -11.891 1.169 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.699 -10.608 2.363 1.00 0.00 H new ATOM 0 HG SER A 47 -15.240 -10.194 0.664 1.00 0.00 H new ATOM 706 N ASN A 48 -10.488 -12.510 1.351 1.00 0.00 N ATOM 707 CA ASN A 48 -9.530 -13.345 2.083 1.00 0.00 C ATOM 708 C ASN A 48 -8.141 -12.714 1.900 1.00 0.00 C ATOM 709 O ASN A 48 -7.430 -12.447 2.868 1.00 0.00 O ATOM 710 CB ASN A 48 -9.566 -14.793 1.567 1.00 0.00 C ATOM 711 CG ASN A 48 -8.771 -15.760 2.448 1.00 0.00 C ATOM 712 OD1 ASN A 48 -7.777 -15.408 3.074 1.00 0.00 O ATOM 713 ND2 ASN A 48 -9.184 -17.015 2.518 1.00 0.00 N ATOM 0 H ASN A 48 -10.671 -12.833 0.401 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.783 -13.388 3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.602 -15.128 1.512 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.167 -14.822 0.553 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.676 -17.688 3.092 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.011 -17.310 1.998 1.00 0.00 H new ATOM 720 N ALA A 49 -7.758 -12.405 0.653 1.00 0.00 N ATOM 721 CA ALA A 49 -6.469 -11.790 0.353 1.00 0.00 C ATOM 722 C ALA A 49 -6.334 -10.426 1.036 1.00 0.00 C ATOM 723 O ALA A 49 -5.267 -10.110 1.561 1.00 0.00 O ATOM 724 CB ALA A 49 -6.265 -11.636 -1.151 1.00 0.00 C ATOM 0 H ALA A 49 -8.336 -12.576 -0.170 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.698 -12.455 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.296 -11.175 -1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.300 -12.617 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.054 -11.006 -1.563 1.00 0.00 H new ATOM 730 N VAL A 50 -7.399 -9.619 1.083 1.00 0.00 N ATOM 731 CA VAL A 50 -7.365 -8.304 1.726 1.00 0.00 C ATOM 732 C VAL A 50 -7.108 -8.457 3.241 1.00 0.00 C ATOM 733 O VAL A 50 -6.674 -7.520 3.907 1.00 0.00 O ATOM 734 CB VAL A 50 -8.644 -7.515 1.372 1.00 0.00 C ATOM 735 CG1 VAL A 50 -9.840 -7.907 2.236 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.447 -6.000 1.465 1.00 0.00 C ATOM 0 H VAL A 50 -8.304 -9.859 0.678 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.532 -7.713 1.346 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.854 -7.784 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.710 -7.320 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.055 -8.967 2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.610 -7.715 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.378 -5.495 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.160 -5.732 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.663 -5.692 0.774 1.00 0.00 H new ATOM 746 N SER A 51 -7.379 -9.641 3.804 1.00 0.00 N ATOM 747 CA SER A 51 -7.177 -9.951 5.208 1.00 0.00 C ATOM 748 C SER A 51 -5.691 -10.200 5.498 1.00 0.00 C ATOM 749 O SER A 51 -5.311 -10.256 6.666 1.00 0.00 O ATOM 750 CB SER A 51 -8.031 -11.173 5.569 1.00 0.00 C ATOM 751 OG SER A 51 -8.342 -11.234 6.944 1.00 0.00 O ATOM 0 H SER A 51 -7.755 -10.426 3.273 1.00 0.00 H new ATOM 0 HA SER A 51 -7.486 -9.106 5.823 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.956 -11.148 4.992 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.500 -12.080 5.280 1.00 0.00 H new ATOM 0 HG SER A 51 -8.888 -12.029 7.121 1.00 0.00 H new ATOM 757 N GLN A 52 -4.825 -10.382 4.490 1.00 0.00 N ATOM 758 CA GLN A 52 -3.401 -10.601 4.743 1.00 0.00 C ATOM 759 C GLN A 52 -2.753 -9.290 5.230 1.00 0.00 C ATOM 760 O GLN A 52 -1.665 -9.311 5.813 1.00 0.00 O ATOM 761 CB GLN A 52 -2.694 -11.161 3.493 1.00 0.00 C ATOM 762 CG GLN A 52 -3.344 -12.409 2.862 1.00 0.00 C ATOM 763 CD GLN A 52 -3.735 -13.477 3.876 1.00 0.00 C ATOM 764 OE1 GLN A 52 -2.883 -14.203 4.385 1.00 0.00 O ATOM 765 NE2 GLN A 52 -5.013 -13.618 4.189 1.00 0.00 N ATOM 0 H GLN A 52 -5.086 -10.381 3.504 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.290 -11.349 5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.652 -10.375 2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.665 -11.404 3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.232 -12.104 2.308 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.652 -12.842 2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.713 -13.011 3.762 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.298 -14.334 4.858 1.00 0.00 H new ATOM 774 N ILE A 53 -3.419 -8.153 4.987 1.00 0.00 N ATOM 775 CA ILE A 53 -2.993 -6.823 5.378 1.00 0.00 C ATOM 776 C ILE A 53 -3.094 -6.711 6.899 1.00 0.00 C ATOM 777 O ILE A 53 -4.048 -7.204 7.511 1.00 0.00 O ATOM 778 CB ILE A 53 -3.899 -5.750 4.707 1.00 0.00 C ATOM 779 CG1 ILE A 53 -3.864 -5.836 3.165 1.00 0.00 C ATOM 780 CG2 ILE A 53 -3.481 -4.342 5.164 1.00 0.00 C ATOM 781 CD1 ILE A 53 -4.904 -4.965 2.443 1.00 0.00 C ATOM 0 H ILE A 53 -4.309 -8.147 4.489 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.965 -6.655 5.057 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.923 -5.949 5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.870 -5.548 2.822 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.014 -6.875 2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.122 -3.600 4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.580 -4.266 6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.444 -4.161 4.881 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.801 -5.093 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.906 -5.265 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.744 -3.918 2.701 1.00 0.00 H new ATOM 793 N THR A 54 -2.131 -6.033 7.510 1.00 0.00 N ATOM 794 CA THR A 54 -2.065 -5.762 8.933 1.00 0.00 C ATOM 795 C THR A 54 -1.385 -4.396 9.090 1.00 0.00 C ATOM 796 O THR A 54 -0.858 -3.843 8.121 1.00 0.00 O ATOM 797 CB THR A 54 -1.376 -6.917 9.686 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.663 -6.822 11.073 1.00 0.00 O ATOM 799 CG2 THR A 54 0.138 -7.010 9.473 1.00 0.00 C ATOM 0 H THR A 54 -1.340 -5.641 7.000 1.00 0.00 H new ATOM 0 HA THR A 54 -3.053 -5.709 9.390 1.00 0.00 H new ATOM 0 HB THR A 54 -1.787 -7.833 9.262 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.225 -7.558 11.549 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.534 -7.851 10.041 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.348 -7.157 8.414 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.610 -6.088 9.812 1.00 0.00 H new ATOM 807 N ARG A 55 -1.402 -3.849 10.313 1.00 0.00 N ATOM 808 CA ARG A 55 -0.799 -2.560 10.670 1.00 0.00 C ATOM 809 C ARG A 55 -1.106 -1.475 9.623 1.00 0.00 C ATOM 810 O ARG A 55 -0.209 -1.007 8.921 1.00 0.00 O ATOM 811 CB ARG A 55 0.718 -2.768 10.860 1.00 0.00 C ATOM 812 CG ARG A 55 1.111 -3.725 11.990 1.00 0.00 C ATOM 813 CD ARG A 55 2.638 -3.802 12.062 1.00 0.00 C ATOM 814 NE ARG A 55 3.080 -4.931 12.887 1.00 0.00 N ATOM 815 CZ ARG A 55 3.526 -4.944 14.144 1.00 0.00 C ATOM 816 NH1 ARG A 55 3.637 -3.832 14.864 1.00 0.00 N ATOM 817 NH2 ARG A 55 3.839 -6.120 14.659 1.00 0.00 N ATOM 0 H ARG A 55 -1.851 -4.307 11.106 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.233 -2.201 11.603 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.136 -3.143 9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.180 -1.799 11.049 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.706 -3.375 12.939 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.691 -4.715 11.810 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.046 -3.903 11.056 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.031 -2.873 12.474 1.00 0.00 H new ATOM 0 HE ARG A 55 3.040 -5.843 12.431 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.377 -2.933 14.458 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.982 -3.878 15.823 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.735 -6.966 14.099 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.185 -6.182 15.617 1.00 0.00 H new ATOM 831 N MET A 56 -2.376 -1.081 9.499 1.00 0.00 N ATOM 832 CA MET A 56 -2.819 -0.075 8.540 1.00 0.00 C ATOM 833 C MET A 56 -3.137 1.247 9.243 1.00 0.00 C ATOM 834 O MET A 56 -4.146 1.336 9.955 1.00 0.00 O ATOM 835 CB MET A 56 -4.064 -0.635 7.825 1.00 0.00 C ATOM 836 CG MET A 56 -4.642 0.278 6.755 1.00 0.00 C ATOM 837 SD MET A 56 -6.355 -0.052 6.289 1.00 0.00 S ATOM 838 CE MET A 56 -6.066 -1.079 4.832 1.00 0.00 C ATOM 0 H MET A 56 -3.132 -1.458 10.070 1.00 0.00 H new ATOM 0 HA MET A 56 -2.031 0.135 7.817 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.806 -1.591 7.368 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.835 -0.835 8.569 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.572 1.308 7.105 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.020 0.201 5.863 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.015 -1.278 4.333 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.398 -0.558 4.146 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.611 -2.022 5.136 1.00 0.00 H new ATOM 848 N CYS A 57 -2.291 2.259 9.035 1.00 0.00 N ATOM 849 CA CYS A 57 -2.413 3.616 9.561 1.00 0.00 C ATOM 850 C CYS A 57 -2.285 4.636 8.412 1.00 0.00 C ATOM 851 O CYS A 57 -1.901 4.296 7.287 1.00 0.00 O ATOM 852 CB CYS A 57 -1.422 3.857 10.709 1.00 0.00 C ATOM 853 SG CYS A 57 -2.085 3.214 12.271 1.00 0.00 S ATOM 0 H CYS A 57 -1.455 2.144 8.462 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.403 3.751 9.997 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.472 3.372 10.484 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.221 4.924 10.805 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.229 3.427 13.226 1.00 0.00 H new ATOM 859 N LEU A 58 -2.664 5.885 8.678 1.00 0.00 N ATOM 860 CA LEU A 58 -2.616 6.993 7.724 1.00 0.00 C ATOM 861 C LEU A 58 -1.182 7.519 7.550 1.00 0.00 C ATOM 862 O LEU A 58 -0.347 7.335 8.445 1.00 0.00 O ATOM 863 CB LEU A 58 -3.481 8.143 8.275 1.00 0.00 C ATOM 864 CG LEU A 58 -4.984 7.864 8.436 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.627 9.005 9.231 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.707 7.706 7.100 1.00 0.00 C ATOM 0 H LEU A 58 -3.024 6.163 9.591 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.980 6.637 6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.083 8.431 9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.364 9.003 7.615 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.082 6.917 8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.693 8.811 9.348 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.161 9.072 10.214 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.485 9.945 8.698 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.764 7.511 7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.601 8.622 6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.273 6.873 6.548 1.00 0.00 H new ATOM 878 N LEU A 59 -0.877 8.146 6.407 1.00 0.00 N ATOM 879 CA LEU A 59 0.434 8.751 6.121 1.00 0.00 C ATOM 880 C LEU A 59 0.317 10.243 6.447 1.00 0.00 C ATOM 881 O LEU A 59 -0.790 10.787 6.518 1.00 0.00 O ATOM 882 CB LEU A 59 0.874 8.626 4.643 1.00 0.00 C ATOM 883 CG LEU A 59 1.310 7.228 4.167 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.712 7.270 2.684 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.516 6.729 4.967 1.00 0.00 C ATOM 0 H LEU A 59 -1.543 8.250 5.642 1.00 0.00 H new ATOM 0 HA LEU A 59 1.178 8.225 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.049 8.958 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.701 9.316 4.475 1.00 0.00 H new ATOM 0 HG LEU A 59 0.465 6.556 4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.018 6.275 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.863 7.600 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.541 7.965 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.804 5.740 4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.350 7.419 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.254 6.673 6.023 1.00 0.00 H new ATOM 897 N LYS A 60 1.443 10.934 6.635 1.00 0.00 N ATOM 898 CA LYS A 60 1.425 12.365 6.928 1.00 0.00 C ATOM 899 C LYS A 60 0.797 13.112 5.747 1.00 0.00 C ATOM 900 O LYS A 60 1.028 12.727 4.598 1.00 0.00 O ATOM 901 CB LYS A 60 2.851 12.855 7.199 1.00 0.00 C ATOM 902 CG LYS A 60 2.804 14.216 7.900 1.00 0.00 C ATOM 903 CD LYS A 60 4.190 14.823 8.094 1.00 0.00 C ATOM 904 CE LYS A 60 5.069 13.994 9.026 1.00 0.00 C ATOM 905 NZ LYS A 60 6.248 14.780 9.420 1.00 0.00 N ATOM 0 H LYS A 60 2.376 10.525 6.589 1.00 0.00 H new ATOM 0 HA LYS A 60 0.827 12.558 7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.382 12.133 7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.402 12.936 6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.190 14.901 7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.321 14.104 8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.681 14.916 7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.088 15.830 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.503 13.700 9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.381 13.076 8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.846 14.214 10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.792 15.039 8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.941 15.643 9.912 1.00 0.00 H new ATOM 919 N GLY A 61 0.035 14.174 6.015 1.00 0.00 N ATOM 920 CA GLY A 61 -0.626 14.972 4.987 1.00 0.00 C ATOM 921 C GLY A 61 -1.848 14.269 4.391 1.00 0.00 C ATOM 922 O GLY A 61 -2.388 14.745 3.393 1.00 0.00 O ATOM 0 H GLY A 61 -0.141 14.506 6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.933 15.926 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.085 15.194 4.191 1.00 0.00 H new ATOM 926 N ASN A 62 -2.253 13.125 4.968 1.00 0.00 N ATOM 927 CA ASN A 62 -3.386 12.268 4.608 1.00 0.00 C ATOM 928 C ASN A 62 -3.530 11.986 3.100 1.00 0.00 C ATOM 929 O ASN A 62 -4.605 11.620 2.616 1.00 0.00 O ATOM 930 CB ASN A 62 -4.663 12.782 5.303 1.00 0.00 C ATOM 931 CG ASN A 62 -4.767 12.331 6.764 1.00 0.00 C ATOM 932 OD1 ASN A 62 -3.790 11.942 7.406 1.00 0.00 O ATOM 933 ND2 ASN A 62 -5.952 12.376 7.340 1.00 0.00 N ATOM 0 H ASN A 62 -1.748 12.746 5.769 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.184 11.268 4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.680 13.871 5.262 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.537 12.428 4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.057 12.089 8.313 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.764 12.697 6.812 1.00 0.00 H new ATOM 940 N MET A 63 -2.428 12.078 2.350 1.00 0.00 N ATOM 941 CA MET A 63 -2.360 11.860 0.906 1.00 0.00 C ATOM 942 C MET A 63 -2.256 10.383 0.509 1.00 0.00 C ATOM 943 O MET A 63 -2.269 10.067 -0.682 1.00 0.00 O ATOM 944 CB MET A 63 -1.163 12.647 0.342 1.00 0.00 C ATOM 945 CG MET A 63 -1.520 14.105 0.042 1.00 0.00 C ATOM 946 SD MET A 63 -1.975 14.428 -1.688 1.00 0.00 S ATOM 947 CE MET A 63 -3.450 13.405 -1.922 1.00 0.00 C ATOM 0 H MET A 63 -1.521 12.317 2.752 1.00 0.00 H new ATOM 0 HA MET A 63 -3.298 12.216 0.480 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.340 12.616 1.057 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.811 12.166 -0.570 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.349 14.403 0.684 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.671 14.736 0.305 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.867 13.589 -2.912 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.181 12.353 -1.831 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.191 13.657 -1.164 1.00 0.00 H new ATOM 957 N GLY A 64 -2.142 9.451 1.451 1.00 0.00 N ATOM 958 CA GLY A 64 -2.045 8.029 1.151 1.00 0.00 C ATOM 959 C GLY A 64 -1.973 7.211 2.425 1.00 0.00 C ATOM 960 O GLY A 64 -1.958 7.762 3.528 1.00 0.00 O ATOM 0 H GLY A 64 -2.114 9.664 2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.908 7.718 0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.160 7.841 0.543 1.00 0.00 H new ATOM 964 N VAL A 65 -1.906 5.891 2.297 1.00 0.00 N ATOM 965 CA VAL A 65 -1.877 4.983 3.437 1.00 0.00 C ATOM 966 C VAL A 65 -0.862 3.859 3.213 1.00 0.00 C ATOM 967 O VAL A 65 -0.689 3.426 2.075 1.00 0.00 O ATOM 968 CB VAL A 65 -3.322 4.467 3.627 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.292 5.602 3.991 1.00 0.00 C ATOM 970 CG2 VAL A 65 -3.882 3.681 2.425 1.00 0.00 C ATOM 0 H VAL A 65 -1.870 5.418 1.394 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.548 5.486 4.347 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.247 3.765 4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.296 5.197 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.972 6.070 4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.297 6.346 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.899 3.357 2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.887 4.321 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.256 2.809 2.237 1.00 0.00 H new ATOM 980 N CYS A 66 -0.182 3.369 4.260 1.00 0.00 N ATOM 981 CA CYS A 66 0.798 2.282 4.146 1.00 0.00 C ATOM 982 C CYS A 66 0.438 1.163 5.118 1.00 0.00 C ATOM 983 O CYS A 66 -0.105 1.430 6.195 1.00 0.00 O ATOM 984 CB CYS A 66 2.242 2.784 4.329 1.00 0.00 C ATOM 985 SG CYS A 66 2.540 3.414 6.007 1.00 0.00 S ATOM 0 H CYS A 66 -0.298 3.717 5.212 1.00 0.00 H new ATOM 0 HA CYS A 66 0.756 1.878 3.134 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.937 1.971 4.119 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.446 3.573 3.605 1.00 0.00 H new ATOM 0 HG CYS A 66 1.636 2.944 6.814 1.00 0.00 H new ATOM 991 N PHE A 67 0.687 -0.087 4.740 1.00 0.00 N ATOM 992 CA PHE A 67 0.384 -1.243 5.570 1.00 0.00 C ATOM 993 C PHE A 67 1.392 -2.361 5.318 1.00 0.00 C ATOM 994 O PHE A 67 2.228 -2.254 4.423 1.00 0.00 O ATOM 995 CB PHE A 67 -1.080 -1.663 5.370 1.00 0.00 C ATOM 996 CG PHE A 67 -1.570 -1.830 3.938 1.00 0.00 C ATOM 997 CD1 PHE A 67 -1.047 -2.844 3.111 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.605 -1.005 3.453 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.559 -3.031 1.815 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -3.124 -1.204 2.163 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.599 -2.214 1.341 1.00 0.00 C ATOM 0 H PHE A 67 1.108 -0.326 3.842 1.00 0.00 H new ATOM 0 HA PHE A 67 0.487 -0.986 6.624 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.234 -2.608 5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.713 -0.922 5.859 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.252 -3.478 3.473 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.001 -0.216 4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.151 -3.805 1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.928 -0.579 1.803 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.994 -2.362 0.347 1.00 0.00 H new ATOM 1011 N ASP A 68 1.322 -3.434 6.100 1.00 0.00 N ATOM 1012 CA ASP A 68 2.219 -4.581 6.016 1.00 0.00 C ATOM 1013 C ASP A 68 1.470 -5.782 5.442 1.00 0.00 C ATOM 1014 O ASP A 68 0.317 -6.017 5.813 1.00 0.00 O ATOM 1015 CB ASP A 68 2.738 -4.906 7.426 1.00 0.00 C ATOM 1016 CG ASP A 68 3.769 -3.902 7.943 1.00 0.00 C ATOM 1017 OD1 ASP A 68 3.380 -2.829 8.463 1.00 0.00 O ATOM 1018 OD2 ASP A 68 4.977 -4.228 7.906 1.00 0.00 O ATOM 0 H ASP A 68 0.618 -3.532 6.832 1.00 0.00 H new ATOM 0 HA ASP A 68 3.059 -4.350 5.361 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.895 -4.937 8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.183 -5.901 7.420 1.00 0.00 H new ATOM 1023 N VAL A 69 2.118 -6.544 4.553 1.00 0.00 N ATOM 1024 CA VAL A 69 1.588 -7.742 3.897 1.00 0.00 C ATOM 1025 C VAL A 69 2.713 -8.778 3.722 1.00 0.00 C ATOM 1026 O VAL A 69 3.887 -8.400 3.662 1.00 0.00 O ATOM 1027 CB VAL A 69 0.973 -7.403 2.515 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.389 -6.720 2.649 1.00 0.00 C ATOM 1029 CG2 VAL A 69 1.877 -6.537 1.624 1.00 0.00 C ATOM 0 H VAL A 69 3.071 -6.331 4.259 1.00 0.00 H new ATOM 0 HA VAL A 69 0.800 -8.153 4.528 1.00 0.00 H new ATOM 0 HB VAL A 69 0.857 -8.371 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.785 -6.500 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.077 -7.381 3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.277 -5.792 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.376 -6.344 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.083 -5.591 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.815 -7.061 1.439 1.00 0.00 H new ATOM 1039 N PRO A 70 2.401 -10.083 3.637 1.00 0.00 N ATOM 1040 CA PRO A 70 3.421 -11.098 3.440 1.00 0.00 C ATOM 1041 C PRO A 70 3.890 -11.034 1.981 1.00 0.00 C ATOM 1042 O PRO A 70 3.085 -10.811 1.072 1.00 0.00 O ATOM 1043 CB PRO A 70 2.733 -12.426 3.757 1.00 0.00 C ATOM 1044 CG PRO A 70 1.268 -12.168 3.406 1.00 0.00 C ATOM 1045 CD PRO A 70 1.077 -10.682 3.707 1.00 0.00 C ATOM 0 HA PRO A 70 4.300 -10.965 4.071 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.148 -13.243 3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.852 -12.698 4.806 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.062 -12.394 2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.599 -12.786 4.004 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.402 -10.222 2.985 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.636 -10.538 4.693 1.00 0.00 H new ATOM 1053 N THR A 71 5.177 -11.288 1.741 1.00 0.00 N ATOM 1054 CA THR A 71 5.772 -11.274 0.402 1.00 0.00 C ATOM 1055 C THR A 71 5.092 -12.278 -0.546 1.00 0.00 C ATOM 1056 O THR A 71 5.112 -12.114 -1.765 1.00 0.00 O ATOM 1057 CB THR A 71 7.279 -11.561 0.513 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.536 -12.500 1.544 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.048 -10.283 0.840 1.00 0.00 C ATOM 0 H THR A 71 5.844 -11.512 2.479 1.00 0.00 H new ATOM 0 HA THR A 71 5.618 -10.285 -0.029 1.00 0.00 H new ATOM 0 HB THR A 71 7.605 -11.960 -0.447 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.499 -12.671 1.598 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.112 -10.508 0.914 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.886 -9.549 0.051 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.695 -9.879 1.789 1.00 0.00 H new ATOM 1067 N THR A 72 4.461 -13.315 0.001 1.00 0.00 N ATOM 1068 CA THR A 72 3.764 -14.343 -0.751 1.00 0.00 C ATOM 1069 C THR A 72 2.613 -13.723 -1.557 1.00 0.00 C ATOM 1070 O THR A 72 2.466 -14.014 -2.747 1.00 0.00 O ATOM 1071 CB THR A 72 3.269 -15.397 0.259 1.00 0.00 C ATOM 1072 OG1 THR A 72 4.343 -15.760 1.120 1.00 0.00 O ATOM 1073 CG2 THR A 72 2.718 -16.643 -0.430 1.00 0.00 C ATOM 0 H THR A 72 4.423 -13.463 1.010 1.00 0.00 H new ATOM 0 HA THR A 72 4.424 -14.821 -1.475 1.00 0.00 H new ATOM 0 HB THR A 72 2.454 -14.955 0.831 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.033 -16.429 1.766 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.382 -17.356 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.879 -16.365 -1.067 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.500 -17.098 -1.038 1.00 0.00 H new ATOM 1081 N GLU A 73 1.824 -12.853 -0.916 1.00 0.00 N ATOM 1082 CA GLU A 73 0.673 -12.191 -1.515 1.00 0.00 C ATOM 1083 C GLU A 73 1.039 -10.851 -2.170 1.00 0.00 C ATOM 1084 O GLU A 73 0.302 -10.409 -3.047 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.396 -11.996 -0.416 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.851 -11.979 -0.918 1.00 0.00 C ATOM 1087 CD GLU A 73 -2.368 -13.381 -1.272 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -2.699 -14.172 -0.355 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -2.411 -13.740 -2.470 1.00 0.00 O ATOM 0 H GLU A 73 1.977 -12.587 0.057 1.00 0.00 H new ATOM 0 HA GLU A 73 0.285 -12.818 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.290 -12.795 0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.196 -11.058 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.491 -11.542 -0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.921 -11.337 -1.796 1.00 0.00 H new ATOM 1096 N SER A 74 2.170 -10.212 -1.828 1.00 0.00 N ATOM 1097 CA SER A 74 2.542 -8.917 -2.413 1.00 0.00 C ATOM 1098 C SER A 74 2.654 -8.952 -3.943 1.00 0.00 C ATOM 1099 O SER A 74 2.364 -7.951 -4.607 1.00 0.00 O ATOM 1100 CB SER A 74 3.810 -8.364 -1.755 1.00 0.00 C ATOM 1101 OG SER A 74 4.939 -9.155 -2.047 1.00 0.00 O ATOM 0 H SER A 74 2.841 -10.572 -1.150 1.00 0.00 H new ATOM 0 HA SER A 74 1.723 -8.230 -2.199 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.982 -7.344 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.668 -8.317 -0.675 1.00 0.00 H new ATOM 0 HG SER A 74 4.706 -10.103 -1.960 1.00 0.00 H new ATOM 1107 N GLU A 75 3.071 -10.089 -4.510 1.00 0.00 N ATOM 1108 CA GLU A 75 3.197 -10.250 -5.955 1.00 0.00 C ATOM 1109 C GLU A 75 1.795 -10.224 -6.567 1.00 0.00 C ATOM 1110 O GLU A 75 1.537 -9.466 -7.505 1.00 0.00 O ATOM 1111 CB GLU A 75 3.910 -11.566 -6.297 1.00 0.00 C ATOM 1112 CG GLU A 75 5.393 -11.548 -5.906 1.00 0.00 C ATOM 1113 CD GLU A 75 6.055 -12.890 -6.215 1.00 0.00 C ATOM 1114 OE1 GLU A 75 6.000 -13.795 -5.349 1.00 0.00 O ATOM 1115 OE2 GLU A 75 6.647 -13.036 -7.310 1.00 0.00 O ATOM 0 H GLU A 75 3.329 -10.920 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 75 3.797 -9.437 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.412 -12.389 -5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.822 -11.756 -7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.906 -10.752 -6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.490 -11.326 -4.843 1.00 0.00 H new ATOM 1122 N ARG A 76 0.880 -11.031 -6.024 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.500 -11.102 -6.490 1.00 0.00 C ATOM 1124 C ARG A 76 -1.187 -9.762 -6.309 1.00 0.00 C ATOM 1125 O ARG A 76 -1.937 -9.358 -7.187 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.268 -12.182 -5.718 1.00 0.00 C ATOM 1127 CG ARG A 76 -0.911 -13.578 -6.229 1.00 0.00 C ATOM 1128 CD ARG A 76 -1.399 -14.627 -5.239 1.00 0.00 C ATOM 1129 NE ARG A 76 -1.366 -15.989 -5.791 1.00 0.00 N ATOM 1130 CZ ARG A 76 -0.586 -17.002 -5.399 1.00 0.00 C ATOM 1131 NH1 ARG A 76 0.430 -16.815 -4.559 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -0.864 -18.220 -5.842 1.00 0.00 N ATOM 0 H ARG A 76 1.081 -11.656 -5.244 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.492 -11.358 -7.549 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.036 -12.109 -4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.340 -12.016 -5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.366 -13.746 -7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.168 -13.663 -6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.782 -14.588 -4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.418 -14.387 -4.935 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.010 -16.183 -6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.629 -15.882 -4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.010 -17.605 -4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.657 -18.367 -6.467 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.285 -19.010 -5.558 1.00 0.00 H new ATOM 1146 N LEU A 77 -0.916 -9.045 -5.222 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.518 -7.748 -4.936 1.00 0.00 C ATOM 1148 C LEU A 77 -1.213 -6.753 -6.047 1.00 0.00 C ATOM 1149 O LEU A 77 -2.058 -5.915 -6.359 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.054 -7.256 -3.554 1.00 0.00 C ATOM 1151 CG LEU A 77 -1.943 -7.876 -2.463 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.252 -7.902 -1.097 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.255 -7.089 -2.361 1.00 0.00 C ATOM 0 H LEU A 77 -0.261 -9.355 -4.504 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.603 -7.848 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.012 -7.532 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.107 -6.168 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.142 -8.909 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.919 -8.349 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.338 -8.492 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.006 -6.884 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.884 -7.529 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.038 -6.052 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.777 -7.126 -3.317 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.018 -6.833 -6.633 1.00 0.00 N ATOM 1166 CA GLN A 78 0.403 -5.974 -7.730 1.00 0.00 C ATOM 1167 C GLN A 78 -0.364 -6.351 -9.004 1.00 0.00 C ATOM 1168 O GLN A 78 -0.715 -5.455 -9.774 1.00 0.00 O ATOM 1169 CB GLN A 78 1.931 -6.094 -7.895 1.00 0.00 C ATOM 1170 CG GLN A 78 2.655 -5.046 -7.037 1.00 0.00 C ATOM 1171 CD GLN A 78 4.125 -5.393 -6.788 1.00 0.00 C ATOM 1172 OE1 GLN A 78 5.038 -4.714 -7.261 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.384 -6.426 -5.999 1.00 0.00 N ATOM 0 H GLN A 78 0.693 -7.508 -6.351 1.00 0.00 H new ATOM 0 HA GLN A 78 0.172 -4.930 -7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.255 -7.094 -7.607 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.200 -5.962 -8.943 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.594 -4.076 -7.530 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.142 -4.950 -6.080 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.618 -6.979 -5.615 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.349 -6.668 -5.776 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.649 -7.643 -9.209 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.372 -8.143 -10.373 1.00 0.00 C ATOM 1184 C ALA A 79 -2.893 -7.952 -10.256 1.00 0.00 C ATOM 1185 O ALA A 79 -3.573 -7.746 -11.261 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.051 -9.630 -10.563 1.00 0.00 C ATOM 0 H ALA A 79 -0.377 -8.378 -8.557 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.045 -7.564 -11.237 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.588 -10.010 -11.432 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.021 -9.754 -10.717 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.357 -10.185 -9.676 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.451 -8.021 -9.050 1.00 0.00 N ATOM 1193 CA GLU A 80 -4.878 -7.864 -8.788 1.00 0.00 C ATOM 1194 C GLU A 80 -5.281 -6.392 -8.921 1.00 0.00 C ATOM 1195 O GLU A 80 -6.384 -6.107 -9.400 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.202 -8.347 -7.355 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.019 -9.855 -7.084 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.277 -10.701 -7.286 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -7.124 -10.748 -6.369 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -6.432 -11.338 -8.361 1.00 0.00 O ATOM 0 H GLU A 80 -2.907 -8.193 -8.204 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.433 -8.458 -9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.572 -7.795 -6.657 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.235 -8.082 -7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.234 -10.235 -7.738 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.671 -9.986 -6.059 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.416 -5.458 -8.497 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.709 -4.030 -8.547 1.00 0.00 C ATOM 1209 C TRP A 81 -4.931 -3.539 -9.974 1.00 0.00 C ATOM 1210 O TRP A 81 -4.053 -3.645 -10.838 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.641 -3.202 -7.821 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.153 -1.881 -7.323 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.777 -0.648 -7.738 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.198 -1.666 -6.330 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.529 0.309 -7.078 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.459 -0.267 -6.230 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.970 -2.531 -5.525 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.480 0.239 -5.404 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.971 -2.030 -4.678 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -7.238 -0.652 -4.626 1.00 0.00 C ATOM 0 H TRP A 81 -3.497 -5.678 -8.112 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.648 -3.883 -8.013 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.256 -3.776 -6.978 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.804 -3.028 -8.497 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -3.010 -0.443 -8.470 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.412 1.315 -7.201 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.788 -3.595 -5.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.678 1.300 -5.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.540 -2.710 -4.061 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -8.025 -0.278 -3.988 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.134 -3.029 -10.219 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.621 -2.481 -11.470 1.00 0.00 C ATOM 1233 C HIS A 82 -7.969 -1.816 -11.163 1.00 0.00 C ATOM 1234 O HIS A 82 -8.470 -1.910 -10.034 1.00 0.00 O ATOM 1235 CB HIS A 82 -6.769 -3.604 -12.521 1.00 0.00 C ATOM 1236 CG HIS A 82 -5.994 -3.329 -13.781 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -4.817 -3.928 -14.169 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -6.342 -2.441 -14.757 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -4.466 -3.418 -15.357 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -5.357 -2.490 -15.749 1.00 0.00 N ATOM 0 H HIS A 82 -6.845 -2.987 -9.488 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.927 -1.751 -11.886 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.430 -4.546 -12.090 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.823 -3.728 -12.768 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.221 -1.813 -14.763 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.592 -3.710 -15.920 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.321 -1.932 -16.602 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.568 -1.174 -12.171 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.862 -0.492 -12.092 1.00 0.00 C ATOM 1250 C ASP A 83 -9.953 0.479 -10.903 1.00 0.00 C ATOM 1251 O ASP A 83 -11.013 0.634 -10.286 1.00 0.00 O ATOM 1252 CB ASP A 83 -10.980 -1.547 -12.118 1.00 0.00 C ATOM 1253 CG ASP A 83 -12.367 -0.948 -12.347 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -12.584 -0.350 -13.428 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -13.276 -1.214 -11.530 1.00 0.00 O ATOM 0 H ASP A 83 -8.148 -1.113 -13.099 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.982 0.153 -12.962 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.769 -2.271 -12.905 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.978 -2.093 -11.174 1.00 0.00 H new ATOM 1260 N SER A 84 -8.822 1.094 -10.544 1.00 0.00 N ATOM 1261 CA SER A 84 -8.706 2.059 -9.456 1.00 0.00 C ATOM 1262 C SER A 84 -7.716 3.154 -9.830 1.00 0.00 C ATOM 1263 O SER A 84 -6.663 2.893 -10.419 1.00 0.00 O ATOM 1264 CB SER A 84 -8.253 1.375 -8.172 1.00 0.00 C ATOM 1265 OG SER A 84 -9.160 0.356 -7.862 1.00 0.00 O ATOM 0 H SER A 84 -7.936 0.926 -11.020 1.00 0.00 H new ATOM 0 HA SER A 84 -9.688 2.502 -9.288 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.251 0.964 -8.296 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.203 2.097 -7.357 1.00 0.00 H new ATOM 0 HG SER A 84 -8.969 -0.431 -8.414 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.021 4.371 -9.395 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.282 5.611 -9.610 1.00 0.00 C ATOM 1273 C ASP A 85 -6.312 5.901 -8.452 1.00 0.00 C ATOM 1274 O ASP A 85 -6.064 7.057 -8.101 1.00 0.00 O ATOM 1275 CB ASP A 85 -8.294 6.743 -9.849 1.00 0.00 C ATOM 1276 CG ASP A 85 -8.986 6.591 -11.201 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -8.424 7.042 -12.225 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -10.082 5.979 -11.249 1.00 0.00 O ATOM 0 H ASP A 85 -8.860 4.530 -8.837 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.649 5.522 -10.493 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.040 6.741 -9.054 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.784 7.705 -9.805 1.00 0.00 H new ATOM 1283 N TRP A 86 -5.802 4.857 -7.793 1.00 0.00 N ATOM 1284 CA TRP A 86 -4.846 4.944 -6.694 1.00 0.00 C ATOM 1285 C TRP A 86 -3.586 4.211 -7.117 1.00 0.00 C ATOM 1286 O TRP A 86 -3.694 3.109 -7.677 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.349 4.306 -5.406 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.540 4.907 -4.740 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -7.788 4.909 -5.250 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.659 5.429 -3.382 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.674 5.362 -4.299 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -8.040 5.659 -3.118 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -5.759 5.663 -2.320 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.513 6.047 -1.858 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -6.215 6.056 -1.049 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -7.592 6.244 -0.820 1.00 0.00 C ATOM 0 H TRP A 86 -6.055 3.895 -8.021 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.675 6.001 -6.489 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.578 3.262 -5.619 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.528 4.312 -4.689 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.052 4.602 -6.251 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.677 5.464 -4.453 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.699 5.538 -2.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.570 6.192 -1.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.508 6.214 -0.248 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -7.939 6.541 0.159 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.423 4.819 -6.897 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.159 4.191 -7.243 1.00 0.00 C ATOM 1309 C ILE A 87 -0.834 3.217 -6.115 1.00 0.00 C ATOM 1310 O ILE A 87 -0.981 3.573 -4.946 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.010 5.215 -7.405 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -0.390 6.479 -8.215 1.00 0.00 C ATOM 1313 CG2 ILE A 87 1.172 4.509 -8.090 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -0.555 7.710 -7.318 1.00 0.00 C ATOM 0 H ILE A 87 -2.334 5.746 -6.481 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.254 3.689 -8.206 1.00 0.00 H new ATOM 0 HB ILE A 87 0.244 5.567 -6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.379 6.676 -8.962 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.319 6.297 -8.755 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.994 5.214 -8.214 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.502 3.672 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.859 4.141 -9.067 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.821 8.572 -7.929 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.343 7.525 -6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.382 7.909 -6.798 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.442 1.992 -6.460 1.00 0.00 N ATOM 1327 CA LEU A 88 -0.060 0.959 -5.508 1.00 0.00 C ATOM 1328 C LEU A 88 1.459 0.955 -5.552 1.00 0.00 C ATOM 1329 O LEU A 88 2.019 0.764 -6.638 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.643 -0.399 -5.941 1.00 0.00 C ATOM 1331 CG LEU A 88 -0.097 -1.589 -5.130 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.582 -1.542 -3.689 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.533 -2.907 -5.757 1.00 0.00 C ATOM 0 H LEU A 88 -0.381 1.687 -7.431 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.435 1.142 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.728 -0.368 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.425 -0.559 -6.997 1.00 0.00 H new ATOM 0 HG LEU A 88 0.991 -1.519 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.180 -2.395 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.243 -0.618 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.671 -1.580 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.138 -3.737 -5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.622 -2.960 -5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.152 -2.969 -6.776 1.00 0.00 H new ATOM 1345 N SER A 89 2.147 1.114 -4.424 1.00 0.00 N ATOM 1346 CA SER A 89 3.609 1.133 -4.419 1.00 0.00 C ATOM 1347 C SER A 89 4.189 0.204 -3.357 1.00 0.00 C ATOM 1348 O SER A 89 3.560 -0.047 -2.327 1.00 0.00 O ATOM 1349 CB SER A 89 4.107 2.577 -4.266 1.00 0.00 C ATOM 1350 OG SER A 89 3.380 3.451 -5.124 1.00 0.00 O ATOM 0 H SER A 89 1.719 1.231 -3.506 1.00 0.00 H new ATOM 0 HA SER A 89 3.965 0.749 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.995 2.898 -3.231 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.170 2.628 -4.502 1.00 0.00 H new ATOM 0 HG SER A 89 3.709 4.367 -5.013 1.00 0.00 H new ATOM 1356 N VAL A 90 5.397 -0.304 -3.610 1.00 0.00 N ATOM 1357 CA VAL A 90 6.115 -1.204 -2.717 1.00 0.00 C ATOM 1358 C VAL A 90 7.537 -0.646 -2.509 1.00 0.00 C ATOM 1359 O VAL A 90 8.467 -1.035 -3.223 1.00 0.00 O ATOM 1360 CB VAL A 90 5.998 -2.661 -3.219 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.446 -2.933 -4.662 1.00 0.00 C ATOM 1362 CG2 VAL A 90 6.680 -3.650 -2.267 1.00 0.00 C ATOM 0 H VAL A 90 5.913 -0.093 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 90 5.676 -1.250 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 90 4.920 -2.821 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.314 -3.991 -4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.846 -2.336 -5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.497 -2.666 -4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.574 -4.662 -2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.738 -3.402 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.213 -3.589 -1.284 1.00 0.00 H new ATOM 1372 N PRO A 91 7.713 0.279 -1.550 1.00 0.00 N ATOM 1373 CA PRO A 91 9.006 0.880 -1.240 1.00 0.00 C ATOM 1374 C PRO A 91 9.950 -0.121 -0.537 1.00 0.00 C ATOM 1375 O PRO A 91 9.634 -1.307 -0.389 1.00 0.00 O ATOM 1376 CB PRO A 91 8.673 2.127 -0.413 1.00 0.00 C ATOM 1377 CG PRO A 91 7.273 1.912 0.149 1.00 0.00 C ATOM 1378 CD PRO A 91 6.662 0.799 -0.685 1.00 0.00 C ATOM 0 HA PRO A 91 9.567 1.161 -2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.397 2.264 0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.709 3.024 -1.031 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.312 1.635 1.203 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.679 2.824 0.081 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.267 0.011 -0.044 1.00 0.00 H new ATOM 0 HD3 PRO A 91 5.828 1.176 -1.277 1.00 0.00 H new