USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=23 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 23 MET CE :methyl -131:sc= 0 (180deg=-0.761) USER MOD Set 1.2: A 74 SER OG : rot -170:sc= 0 USER MOD Set 1.3: A 78 GLN : amide:sc= 0.286 X(o=0.29,f=0) USER MOD Single : A 22 THR OG1 : rot 15:sc= 1.29 USER MOD Single : A 24 THR OG1 : rot -150:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.116 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 35 SER OG : rot 180:sc= 0.119 USER MOD Single : A 36 CYS SG : rot -140:sc= -0.519 USER MOD Single : A 39 LYS NZ :NH3+ -115:sc= -0.0248 (180deg=-0.808) USER MOD Single : A 42 ASN : amide:sc= 0.942 K(o=0.94,f=-0.2) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 1.39 (180deg=1.39) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.97) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 176:sc= 0 (180deg=-0.0143) 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 :FLIP amide:sc=-0.000588 F(o=-0.71,f=-0.00059) USER MOD Single : A 63 MET CE :methyl 164:sc= 0 (180deg=-0.138) USER MOD Single : A 66 CYS SG : rot -34:sc= 0.214 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 82 HIS : no HE2:sc= 0.534 K(o=0.53,f=-1.8!) USER MOD Single : A 84 SER OG : rot 56:sc= -0.255 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 254 N PHE A 20 8.139 -9.940 6.066 1.00 0.00 N ATOM 255 CA PHE A 20 7.054 -9.265 5.376 1.00 0.00 C ATOM 256 C PHE A 20 7.611 -8.140 4.512 1.00 0.00 C ATOM 257 O PHE A 20 8.827 -7.936 4.460 1.00 0.00 O ATOM 258 CB PHE A 20 6.102 -8.712 6.442 1.00 0.00 C ATOM 259 CG PHE A 20 5.129 -9.725 7.002 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.565 -10.862 7.714 1.00 0.00 C ATOM 261 CD2 PHE A 20 3.761 -9.544 6.756 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.643 -11.852 8.093 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.847 -10.532 7.129 1.00 0.00 C ATOM 264 CZ PHE A 20 3.283 -11.690 7.784 1.00 0.00 C ATOM 0 HA PHE A 20 6.521 -9.953 4.721 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.693 -8.303 7.262 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.538 -7.884 6.012 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.609 -10.972 7.968 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.414 -8.640 6.278 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.979 -12.733 8.619 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.797 -10.402 6.911 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.573 -12.459 8.052 1.00 0.00 H new ATOM 274 N VAL A 21 6.736 -7.464 3.775 1.00 0.00 N ATOM 275 CA VAL A 21 7.056 -6.343 2.918 1.00 0.00 C ATOM 276 C VAL A 21 5.997 -5.274 3.186 1.00 0.00 C ATOM 277 O VAL A 21 4.790 -5.542 3.166 1.00 0.00 O ATOM 278 CB VAL A 21 7.163 -6.778 1.444 1.00 0.00 C ATOM 279 CG1 VAL A 21 5.872 -7.340 0.838 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.619 -5.612 0.571 1.00 0.00 C ATOM 0 H VAL A 21 5.743 -7.698 3.763 1.00 0.00 H new ATOM 0 HA VAL A 21 8.039 -5.927 3.138 1.00 0.00 H new ATOM 0 HB VAL A 21 7.893 -7.587 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.049 -7.618 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.559 -8.220 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.089 -6.583 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.688 -5.940 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.899 -4.797 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.596 -5.265 0.908 1.00 0.00 H new ATOM 290 N THR A 22 6.460 -4.071 3.505 1.00 0.00 N ATOM 291 CA THR A 22 5.588 -2.945 3.763 1.00 0.00 C ATOM 292 C THR A 22 5.175 -2.398 2.388 1.00 0.00 C ATOM 293 O THR A 22 5.974 -2.370 1.445 1.00 0.00 O ATOM 294 CB THR A 22 6.324 -1.978 4.703 1.00 0.00 C ATOM 295 OG1 THR A 22 6.433 -2.589 5.983 1.00 0.00 O ATOM 296 CG2 THR A 22 5.626 -0.627 4.874 1.00 0.00 C ATOM 0 H THR A 22 7.453 -3.855 3.591 1.00 0.00 H new ATOM 0 HA THR A 22 4.663 -3.181 4.288 1.00 0.00 H new ATOM 0 HB THR A 22 7.296 -1.779 4.251 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.231 -3.545 5.907 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.206 -0.001 5.551 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.544 -0.135 3.905 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.629 -0.782 5.287 1.00 0.00 H new ATOM 304 N MET A 23 3.912 -2.008 2.263 1.00 0.00 N ATOM 305 CA MET A 23 3.288 -1.479 1.060 1.00 0.00 C ATOM 306 C MET A 23 2.773 -0.071 1.314 1.00 0.00 C ATOM 307 O MET A 23 2.495 0.304 2.459 1.00 0.00 O ATOM 308 CB MET A 23 2.108 -2.391 0.697 1.00 0.00 C ATOM 309 CG MET A 23 2.471 -3.540 -0.241 1.00 0.00 C ATOM 310 SD MET A 23 2.142 -3.125 -1.972 1.00 0.00 S ATOM 311 CE MET A 23 2.304 -4.761 -2.713 1.00 0.00 C ATOM 0 H MET A 23 3.259 -2.056 3.045 1.00 0.00 H new ATOM 0 HA MET A 23 4.015 -1.445 0.249 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.687 -2.804 1.614 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.328 -1.789 0.231 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.526 -3.788 -0.121 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.902 -4.428 0.034 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.959 -4.703 -3.583 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.729 -5.450 -1.984 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.322 -5.120 -3.021 1.00 0.00 H new ATOM 321 N THR A 24 2.569 0.674 0.230 1.00 0.00 N ATOM 322 CA THR A 24 2.076 2.039 0.266 1.00 0.00 C ATOM 323 C THR A 24 1.013 2.186 -0.826 1.00 0.00 C ATOM 324 O THR A 24 1.150 1.626 -1.917 1.00 0.00 O ATOM 325 CB THR A 24 3.246 3.017 0.035 1.00 0.00 C ATOM 326 OG1 THR A 24 4.469 2.561 0.587 1.00 0.00 O ATOM 327 CG2 THR A 24 2.977 4.399 0.613 1.00 0.00 C ATOM 0 H THR A 24 2.747 0.334 -0.715 1.00 0.00 H new ATOM 0 HA THR A 24 1.635 2.269 1.236 1.00 0.00 H new ATOM 0 HB THR A 24 3.331 3.073 -1.050 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.018 3.330 0.847 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.833 5.046 0.422 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.089 4.823 0.144 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.816 4.319 1.688 1.00 0.00 H new ATOM 335 N LEU A 25 -0.060 2.920 -0.533 1.00 0.00 N ATOM 336 CA LEU A 25 -1.159 3.192 -1.449 1.00 0.00 C ATOM 337 C LEU A 25 -1.428 4.682 -1.306 1.00 0.00 C ATOM 338 O LEU A 25 -1.756 5.118 -0.204 1.00 0.00 O ATOM 339 CB LEU A 25 -2.401 2.352 -1.110 1.00 0.00 C ATOM 340 CG LEU A 25 -3.493 2.541 -2.179 1.00 0.00 C ATOM 341 CD1 LEU A 25 -3.212 1.702 -3.426 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.870 2.153 -1.647 1.00 0.00 C ATOM 0 H LEU A 25 -0.189 3.355 0.381 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.909 2.924 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.127 1.299 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.787 2.642 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.482 3.600 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.004 1.861 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.255 1.998 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.176 0.647 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.616 2.299 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.861 1.106 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.117 2.777 -0.788 1.00 0.00 H new ATOM 354 N GLU A 26 -1.266 5.453 -2.377 1.00 0.00 N ATOM 355 CA GLU A 26 -1.456 6.900 -2.378 1.00 0.00 C ATOM 356 C GLU A 26 -2.670 7.258 -3.241 1.00 0.00 C ATOM 357 O GLU A 26 -2.801 6.804 -4.381 1.00 0.00 O ATOM 358 CB GLU A 26 -0.132 7.583 -2.778 1.00 0.00 C ATOM 359 CG GLU A 26 0.919 7.384 -1.661 1.00 0.00 C ATOM 360 CD GLU A 26 2.333 7.889 -1.979 1.00 0.00 C ATOM 361 OE1 GLU A 26 2.512 8.823 -2.791 1.00 0.00 O ATOM 362 OE2 GLU A 26 3.300 7.392 -1.350 1.00 0.00 O ATOM 0 H GLU A 26 -0.993 5.082 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.693 7.281 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.236 7.164 -3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.298 8.647 -2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.566 7.889 -0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.977 6.321 -1.427 1.00 0.00 H new ATOM 369 N SER A 27 -3.598 8.001 -2.639 1.00 0.00 N ATOM 370 CA SER A 27 -4.856 8.477 -3.207 1.00 0.00 C ATOM 371 C SER A 27 -4.671 9.761 -4.028 1.00 0.00 C ATOM 372 O SER A 27 -3.589 10.365 -4.042 1.00 0.00 O ATOM 373 CB SER A 27 -5.847 8.707 -2.045 1.00 0.00 C ATOM 374 OG SER A 27 -5.188 9.127 -0.858 1.00 0.00 O ATOM 0 H SER A 27 -3.481 8.307 -1.673 1.00 0.00 H new ATOM 0 HA SER A 27 -5.243 7.727 -3.897 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.581 9.458 -2.338 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.395 7.786 -1.849 1.00 0.00 H new ATOM 0 HG SER A 27 -5.849 9.263 -0.147 1.00 0.00 H new ATOM 380 N LEU A 28 -5.749 10.221 -4.671 1.00 0.00 N ATOM 381 CA LEU A 28 -5.750 11.434 -5.486 1.00 0.00 C ATOM 382 C LEU A 28 -5.935 12.696 -4.638 1.00 0.00 C ATOM 383 O LEU A 28 -5.329 13.717 -4.957 1.00 0.00 O ATOM 384 CB LEU A 28 -6.840 11.340 -6.567 1.00 0.00 C ATOM 385 CG LEU A 28 -6.542 10.260 -7.625 1.00 0.00 C ATOM 386 CD1 LEU A 28 -7.728 10.101 -8.580 1.00 0.00 C ATOM 387 CD2 LEU A 28 -5.273 10.552 -8.431 1.00 0.00 C ATOM 0 H LEU A 28 -6.655 9.754 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.775 11.513 -5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.797 11.123 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.940 12.307 -7.060 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.378 9.331 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.499 9.334 -9.320 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.613 9.808 -8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.918 11.048 -9.086 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.114 9.758 -9.160 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.383 11.504 -8.950 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.418 10.602 -7.757 1.00 0.00 H new ATOM 399 N GLU A 29 -6.761 12.660 -3.589 1.00 0.00 N ATOM 400 CA GLU A 29 -7.013 13.793 -2.695 1.00 0.00 C ATOM 401 C GLU A 29 -7.199 13.282 -1.266 1.00 0.00 C ATOM 402 O GLU A 29 -7.389 12.082 -1.058 1.00 0.00 O ATOM 403 CB GLU A 29 -8.234 14.617 -3.154 1.00 0.00 C ATOM 404 CG GLU A 29 -7.854 15.785 -4.077 1.00 0.00 C ATOM 405 CD GLU A 29 -7.052 16.913 -3.406 1.00 0.00 C ATOM 406 OE1 GLU A 29 -6.716 16.853 -2.198 1.00 0.00 O ATOM 407 OE2 GLU A 29 -6.743 17.907 -4.108 1.00 0.00 O ATOM 0 H GLU A 29 -7.285 11.823 -3.332 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.151 14.460 -2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.933 13.962 -3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.753 15.007 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.272 15.394 -4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.767 16.209 -4.496 1.00 0.00 H new ATOM 414 N GLU A 30 -7.134 14.204 -0.306 1.00 0.00 N ATOM 415 CA GLU A 30 -7.243 14.039 1.143 1.00 0.00 C ATOM 416 C GLU A 30 -8.523 13.325 1.596 1.00 0.00 C ATOM 417 O GLU A 30 -9.614 13.908 1.604 1.00 0.00 O ATOM 418 CB GLU A 30 -7.100 15.431 1.779 1.00 0.00 C ATOM 419 CG GLU A 30 -6.929 15.419 3.303 1.00 0.00 C ATOM 420 CD GLU A 30 -6.547 16.817 3.805 1.00 0.00 C ATOM 421 OE1 GLU A 30 -5.337 17.144 3.799 1.00 0.00 O ATOM 422 OE2 GLU A 30 -7.448 17.615 4.155 1.00 0.00 O ATOM 0 H GLU A 30 -6.989 15.184 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.445 13.377 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.241 15.934 1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.981 16.023 1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.855 15.095 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.159 14.701 3.584 1.00 0.00 H new ATOM 429 N ILE A 31 -8.392 12.050 1.956 1.00 0.00 N ATOM 430 CA ILE A 31 -9.473 11.200 2.437 1.00 0.00 C ATOM 431 C ILE A 31 -9.819 11.565 3.888 1.00 0.00 C ATOM 432 O ILE A 31 -9.139 12.365 4.537 1.00 0.00 O ATOM 433 CB ILE A 31 -9.099 9.706 2.284 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.806 9.343 3.050 1.00 0.00 C ATOM 435 CG2 ILE A 31 -9.034 9.345 0.789 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.444 7.855 2.998 1.00 0.00 C ATOM 0 H ILE A 31 -7.496 11.565 1.918 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.363 11.369 1.831 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.878 9.099 2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.979 9.922 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.918 9.642 4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.771 8.293 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.005 9.526 0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.280 9.961 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.525 7.684 3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.251 7.269 3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.298 7.552 1.961 1.00 0.00 H new ATOM 448 N GLN A 32 -10.901 10.985 4.402 1.00 0.00 N ATOM 449 CA GLN A 32 -11.385 11.213 5.754 1.00 0.00 C ATOM 450 C GLN A 32 -10.569 10.405 6.771 1.00 0.00 C ATOM 451 O GLN A 32 -10.023 10.984 7.709 1.00 0.00 O ATOM 452 CB GLN A 32 -12.885 10.895 5.739 1.00 0.00 C ATOM 453 CG GLN A 32 -13.610 10.767 7.080 1.00 0.00 C ATOM 454 CD GLN A 32 -15.115 10.567 6.865 1.00 0.00 C ATOM 455 OE1 GLN A 32 -15.584 10.299 5.756 1.00 0.00 O ATOM 456 NE2 GLN A 32 -15.908 10.708 7.912 1.00 0.00 N ATOM 0 H GLN A 32 -11.476 10.329 3.874 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.253 12.246 6.075 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.385 11.674 5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.022 9.960 5.196 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.203 9.926 7.641 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.439 11.662 7.679 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -15.512 10.930 8.826 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.916 10.595 7.807 1.00 0.00 H new ATOM 465 N ASP A 33 -10.505 9.082 6.629 1.00 0.00 N ATOM 466 CA ASP A 33 -9.775 8.166 7.515 1.00 0.00 C ATOM 467 C ASP A 33 -9.549 6.861 6.734 1.00 0.00 C ATOM 468 O ASP A 33 -10.044 6.727 5.604 1.00 0.00 O ATOM 469 CB ASP A 33 -10.600 7.927 8.802 1.00 0.00 C ATOM 470 CG ASP A 33 -9.842 7.307 9.990 1.00 0.00 C ATOM 471 OD1 ASP A 33 -8.672 6.886 9.850 1.00 0.00 O ATOM 472 OD2 ASP A 33 -10.455 7.232 11.084 1.00 0.00 O ATOM 0 H ASP A 33 -10.977 8.597 5.866 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.813 8.579 7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.018 8.881 9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.440 7.278 8.555 1.00 0.00 H new ATOM 477 N VAL A 34 -8.841 5.882 7.303 1.00 0.00 N ATOM 478 CA VAL A 34 -8.549 4.578 6.693 1.00 0.00 C ATOM 479 C VAL A 34 -9.824 3.878 6.206 1.00 0.00 C ATOM 480 O VAL A 34 -9.784 3.110 5.246 1.00 0.00 O ATOM 481 CB VAL A 34 -7.763 3.679 7.671 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.378 4.258 7.982 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.498 3.427 8.995 1.00 0.00 C ATOM 0 H VAL A 34 -8.440 5.977 8.236 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.926 4.759 5.817 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.662 2.725 7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.855 3.598 8.674 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.805 4.345 7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.489 5.243 8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.888 2.788 9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.678 4.377 9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.451 2.937 8.795 1.00 0.00 H new ATOM 493 N SER A 35 -10.967 4.191 6.822 1.00 0.00 N ATOM 494 CA SER A 35 -12.296 3.677 6.528 1.00 0.00 C ATOM 495 C SER A 35 -12.666 3.889 5.048 1.00 0.00 C ATOM 496 O SER A 35 -13.562 3.217 4.527 1.00 0.00 O ATOM 497 CB SER A 35 -13.287 4.398 7.457 1.00 0.00 C ATOM 498 OG SER A 35 -12.704 4.719 8.715 1.00 0.00 O ATOM 0 H SER A 35 -10.983 4.858 7.593 1.00 0.00 H new ATOM 0 HA SER A 35 -12.328 2.601 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.636 5.312 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.162 3.767 7.614 1.00 0.00 H new ATOM 0 HG SER A 35 -13.365 5.177 9.275 1.00 0.00 H new ATOM 504 N CYS A 36 -12.019 4.848 4.372 1.00 0.00 N ATOM 505 CA CYS A 36 -12.223 5.157 2.965 1.00 0.00 C ATOM 506 C CYS A 36 -11.567 4.044 2.151 1.00 0.00 C ATOM 507 O CYS A 36 -12.251 3.302 1.445 1.00 0.00 O ATOM 508 CB CYS A 36 -11.634 6.530 2.614 1.00 0.00 C ATOM 509 SG CYS A 36 -12.362 7.780 3.699 1.00 0.00 S ATOM 0 H CYS A 36 -11.318 5.445 4.811 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.287 5.209 2.736 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.550 6.515 2.731 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.839 6.772 1.571 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.602 8.860 3.017 1.00 0.00 H new ATOM 515 N ALA A 37 -10.244 3.927 2.297 1.00 0.00 N ATOM 516 CA ALA A 37 -9.410 2.953 1.618 1.00 0.00 C ATOM 517 C ALA A 37 -9.937 1.536 1.800 1.00 0.00 C ATOM 518 O ALA A 37 -10.119 0.823 0.814 1.00 0.00 O ATOM 519 CB ALA A 37 -7.969 3.065 2.126 1.00 0.00 C ATOM 0 H ALA A 37 -9.711 4.536 2.918 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.433 3.169 0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.345 2.332 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.590 4.067 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.946 2.875 3.199 1.00 0.00 H new ATOM 525 N TRP A 38 -10.241 1.136 3.041 1.00 0.00 N ATOM 526 CA TRP A 38 -10.740 -0.201 3.340 1.00 0.00 C ATOM 527 C TRP A 38 -11.896 -0.633 2.436 1.00 0.00 C ATOM 528 O TRP A 38 -11.941 -1.804 2.057 1.00 0.00 O ATOM 529 CB TRP A 38 -11.132 -0.322 4.817 1.00 0.00 C ATOM 530 CG TRP A 38 -9.994 -0.603 5.747 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.564 0.190 6.753 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.160 -1.799 5.803 1.00 0.00 C ATOM 533 NE1 TRP A 38 -8.491 -0.409 7.386 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.195 -1.636 6.837 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.135 -3.016 5.090 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.235 -2.618 7.126 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.198 -4.019 5.394 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.238 -3.817 6.398 1.00 0.00 C ATOM 0 H TRP A 38 -10.146 1.734 3.862 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.917 -0.885 3.134 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.616 0.604 5.127 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -11.871 -1.117 4.918 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.992 1.144 7.021 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -7.981 0.007 8.165 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -9.849 -3.180 4.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.501 -2.452 7.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.217 -4.952 4.851 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.505 -4.581 6.609 1.00 0.00 H new ATOM 549 N LYS A 39 -12.832 0.260 2.087 1.00 0.00 N ATOM 550 CA LYS A 39 -13.946 -0.117 1.217 1.00 0.00 C ATOM 551 C LYS A 39 -13.456 -0.360 -0.204 1.00 0.00 C ATOM 552 O LYS A 39 -13.817 -1.377 -0.787 1.00 0.00 O ATOM 553 CB LYS A 39 -15.073 0.924 1.239 1.00 0.00 C ATOM 554 CG LYS A 39 -15.801 0.918 2.592 1.00 0.00 C ATOM 555 CD LYS A 39 -17.068 1.786 2.624 1.00 0.00 C ATOM 556 CE LYS A 39 -18.209 1.224 1.770 1.00 0.00 C ATOM 557 NZ LYS A 39 -18.231 1.786 0.406 1.00 0.00 N ATOM 0 H LYS A 39 -12.838 1.234 2.390 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.363 -1.046 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.661 1.915 1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.783 0.714 0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.069 -0.108 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.115 1.267 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.408 1.882 3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.822 2.789 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.112 0.140 1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -19.160 1.433 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.099 2.343 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.402 2.400 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.207 1.012 -0.289 1.00 0.00 H new ATOM 571 N GLU A 40 -12.653 0.541 -0.776 1.00 0.00 N ATOM 572 CA GLU A 40 -12.139 0.378 -2.139 1.00 0.00 C ATOM 573 C GLU A 40 -11.333 -0.920 -2.231 1.00 0.00 C ATOM 574 O GLU A 40 -11.529 -1.728 -3.138 1.00 0.00 O ATOM 575 CB GLU A 40 -11.263 1.588 -2.493 1.00 0.00 C ATOM 576 CG GLU A 40 -10.816 1.621 -3.964 1.00 0.00 C ATOM 577 CD GLU A 40 -11.930 2.068 -4.914 1.00 0.00 C ATOM 578 OE1 GLU A 40 -12.449 3.194 -4.740 1.00 0.00 O ATOM 579 OE2 GLU A 40 -12.234 1.359 -5.907 1.00 0.00 O ATOM 0 H GLU A 40 -12.343 1.396 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.966 0.321 -2.847 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.814 2.502 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.380 1.585 -1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.966 2.296 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.472 0.629 -4.257 1.00 0.00 H new ATOM 586 N LEU A 41 -10.457 -1.149 -1.254 1.00 0.00 N ATOM 587 CA LEU A 41 -9.614 -2.332 -1.174 1.00 0.00 C ATOM 588 C LEU A 41 -10.490 -3.571 -1.114 1.00 0.00 C ATOM 589 O LEU A 41 -10.242 -4.537 -1.829 1.00 0.00 O ATOM 590 CB LEU A 41 -8.670 -2.204 0.033 1.00 0.00 C ATOM 591 CG LEU A 41 -7.556 -1.197 -0.314 1.00 0.00 C ATOM 592 CD1 LEU A 41 -6.989 -0.463 0.900 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.441 -1.939 -1.052 1.00 0.00 C ATOM 0 H LEU A 41 -10.313 -0.500 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.988 -2.425 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.223 -1.868 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.239 -3.174 0.280 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.999 -0.425 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.210 0.228 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.786 0.093 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.566 -1.186 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.644 -1.240 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.043 -2.727 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.840 -2.380 -1.965 1.00 0.00 H new ATOM 605 N ASN A 42 -11.564 -3.541 -0.324 1.00 0.00 N ATOM 606 CA ASN A 42 -12.483 -4.670 -0.210 1.00 0.00 C ATOM 607 C ASN A 42 -13.262 -4.929 -1.502 1.00 0.00 C ATOM 608 O ASN A 42 -13.951 -5.950 -1.577 1.00 0.00 O ATOM 609 CB ASN A 42 -13.464 -4.463 0.947 1.00 0.00 C ATOM 610 CG ASN A 42 -12.980 -5.153 2.203 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.198 -6.350 2.355 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.338 -4.426 3.095 1.00 0.00 N ATOM 0 H ASN A 42 -11.819 -2.738 0.251 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.866 -5.547 -0.013 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.586 -3.397 1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.444 -4.851 0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.999 -4.856 3.955 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.180 -3.433 2.925 1.00 0.00 H new ATOM 619 N ARG A 43 -13.252 -4.016 -2.480 1.00 0.00 N ATOM 620 CA ARG A 43 -13.938 -4.186 -3.756 1.00 0.00 C ATOM 621 C ARG A 43 -12.967 -4.826 -4.735 1.00 0.00 C ATOM 622 O ARG A 43 -13.314 -5.814 -5.375 1.00 0.00 O ATOM 623 CB ARG A 43 -14.418 -2.833 -4.323 1.00 0.00 C ATOM 624 CG ARG A 43 -15.576 -2.213 -3.540 1.00 0.00 C ATOM 625 CD ARG A 43 -16.900 -2.936 -3.802 1.00 0.00 C ATOM 626 NE ARG A 43 -17.791 -2.786 -2.646 1.00 0.00 N ATOM 627 CZ ARG A 43 -18.530 -1.725 -2.312 1.00 0.00 C ATOM 628 NH1 ARG A 43 -18.625 -0.668 -3.105 1.00 0.00 N ATOM 629 NH2 ARG A 43 -19.200 -1.770 -1.172 1.00 0.00 N ATOM 0 H ARG A 43 -12.758 -3.127 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.815 -4.815 -3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.581 -2.135 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.725 -2.972 -5.359 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -15.351 -2.245 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.677 -1.163 -3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.376 -2.528 -4.694 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.715 -3.993 -3.994 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.854 -3.590 -2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.127 -0.652 -3.995 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.197 0.129 -2.826 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.142 -2.598 -0.579 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.774 -0.977 -0.886 1.00 0.00 H new ATOM 643 N LYS A 44 -11.767 -4.251 -4.838 1.00 0.00 N ATOM 644 CA LYS A 44 -10.708 -4.695 -5.734 1.00 0.00 C ATOM 645 C LYS A 44 -10.001 -5.979 -5.300 1.00 0.00 C ATOM 646 O LYS A 44 -9.403 -6.635 -6.147 1.00 0.00 O ATOM 647 CB LYS A 44 -9.665 -3.568 -5.834 1.00 0.00 C ATOM 648 CG LYS A 44 -10.171 -2.231 -6.408 1.00 0.00 C ATOM 649 CD LYS A 44 -10.859 -2.435 -7.762 1.00 0.00 C ATOM 650 CE LYS A 44 -10.934 -1.176 -8.619 1.00 0.00 C ATOM 651 NZ LYS A 44 -11.948 -0.183 -8.217 1.00 0.00 N ATOM 0 H LYS A 44 -11.502 -3.439 -4.281 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.181 -4.921 -6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.261 -3.384 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.839 -3.918 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.869 -1.772 -5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.335 -1.541 -6.522 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.325 -3.207 -8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.870 -2.806 -7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.957 -0.694 -8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.132 -1.472 -9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.936 0.615 -8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.889 -0.626 -8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.734 0.163 -7.260 1.00 0.00 H new ATOM 665 N LEU A 45 -10.045 -6.344 -4.018 1.00 0.00 N ATOM 666 CA LEU A 45 -9.385 -7.533 -3.483 1.00 0.00 C ATOM 667 C LEU A 45 -10.423 -8.475 -2.889 1.00 0.00 C ATOM 668 O LEU A 45 -11.546 -8.066 -2.566 1.00 0.00 O ATOM 669 CB LEU A 45 -8.353 -7.121 -2.409 1.00 0.00 C ATOM 670 CG LEU A 45 -7.284 -6.113 -2.888 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.504 -5.547 -1.695 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.331 -6.761 -3.894 1.00 0.00 C ATOM 0 H LEU A 45 -10.550 -5.811 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.863 -8.050 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.885 -6.689 -1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.850 -8.017 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.796 -5.291 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.756 -4.839 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.191 -5.038 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.009 -6.361 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.589 -6.030 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.828 -7.607 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.896 -7.108 -4.759 1.00 0.00 H new ATOM 684 N SER A 46 -10.061 -9.751 -2.750 1.00 0.00 N ATOM 685 CA SER A 46 -10.945 -10.766 -2.183 1.00 0.00 C ATOM 686 C SER A 46 -11.014 -10.562 -0.668 1.00 0.00 C ATOM 687 O SER A 46 -10.036 -10.093 -0.089 1.00 0.00 O ATOM 688 CB SER A 46 -10.400 -12.161 -2.503 1.00 0.00 C ATOM 689 OG SER A 46 -10.240 -12.344 -3.893 1.00 0.00 O ATOM 0 H SER A 46 -9.147 -10.108 -3.028 1.00 0.00 H new ATOM 0 HA SER A 46 -11.943 -10.676 -2.611 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.442 -12.303 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.079 -12.918 -2.110 1.00 0.00 H new ATOM 0 HG SER A 46 -9.889 -13.242 -4.066 1.00 0.00 H new ATOM 695 N SER A 47 -12.106 -10.938 0.005 1.00 0.00 N ATOM 696 CA SER A 47 -12.187 -10.759 1.456 1.00 0.00 C ATOM 697 C SER A 47 -11.105 -11.562 2.192 1.00 0.00 C ATOM 698 O SER A 47 -10.599 -11.101 3.212 1.00 0.00 O ATOM 699 CB SER A 47 -13.573 -11.123 1.980 1.00 0.00 C ATOM 700 OG SER A 47 -14.588 -10.425 1.277 1.00 0.00 O ATOM 0 H SER A 47 -12.931 -11.360 -0.422 1.00 0.00 H new ATOM 0 HA SER A 47 -12.010 -9.702 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.731 -12.197 1.881 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.636 -10.888 3.043 1.00 0.00 H new ATOM 0 HG SER A 47 -15.465 -10.679 1.632 1.00 0.00 H new ATOM 706 N ASN A 48 -10.736 -12.747 1.697 1.00 0.00 N ATOM 707 CA ASN A 48 -9.695 -13.538 2.344 1.00 0.00 C ATOM 708 C ASN A 48 -8.324 -12.934 2.021 1.00 0.00 C ATOM 709 O ASN A 48 -7.487 -12.813 2.911 1.00 0.00 O ATOM 710 CB ASN A 48 -9.781 -15.007 1.926 1.00 0.00 C ATOM 711 CG ASN A 48 -8.805 -15.837 2.747 1.00 0.00 C ATOM 712 OD1 ASN A 48 -7.625 -15.923 2.429 1.00 0.00 O ATOM 713 ND2 ASN A 48 -9.261 -16.476 3.809 1.00 0.00 N ATOM 0 H ASN A 48 -11.138 -13.172 0.862 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.840 -13.510 3.424 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.796 -15.376 2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.553 -15.106 0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.629 -17.046 4.371 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.245 -16.399 4.067 1.00 0.00 H new ATOM 720 N ALA A 49 -8.096 -12.505 0.769 1.00 0.00 N ATOM 721 CA ALA A 49 -6.824 -11.901 0.382 1.00 0.00 C ATOM 722 C ALA A 49 -6.605 -10.606 1.157 1.00 0.00 C ATOM 723 O ALA A 49 -5.531 -10.425 1.720 1.00 0.00 O ATOM 724 CB ALA A 49 -6.741 -11.615 -1.123 1.00 0.00 C ATOM 0 H ALA A 49 -8.778 -12.568 0.014 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.043 -12.622 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.775 -11.167 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.851 -12.547 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.538 -10.928 -1.407 1.00 0.00 H new ATOM 730 N VAL A 50 -7.601 -9.712 1.224 1.00 0.00 N ATOM 731 CA VAL A 50 -7.500 -8.433 1.932 1.00 0.00 C ATOM 732 C VAL A 50 -7.212 -8.657 3.429 1.00 0.00 C ATOM 733 O VAL A 50 -6.737 -7.756 4.123 1.00 0.00 O ATOM 734 CB VAL A 50 -8.724 -7.540 1.622 1.00 0.00 C ATOM 735 CG1 VAL A 50 -9.931 -7.790 2.525 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.390 -6.046 1.672 1.00 0.00 C ATOM 0 H VAL A 50 -8.508 -9.860 0.783 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.641 -7.871 1.565 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.995 -7.829 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.744 -7.122 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.257 -8.825 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.654 -7.602 3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.285 -5.465 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.030 -5.787 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.617 -5.821 0.937 1.00 0.00 H new ATOM 746 N SER A 51 -7.498 -9.850 3.961 1.00 0.00 N ATOM 747 CA SER A 51 -7.231 -10.195 5.349 1.00 0.00 C ATOM 748 C SER A 51 -5.721 -10.338 5.589 1.00 0.00 C ATOM 749 O SER A 51 -5.290 -10.292 6.745 1.00 0.00 O ATOM 750 CB SER A 51 -8.060 -11.409 5.775 1.00 0.00 C ATOM 751 OG SER A 51 -9.152 -10.975 6.569 1.00 0.00 O ATOM 0 H SER A 51 -7.926 -10.607 3.428 1.00 0.00 H new ATOM 0 HA SER A 51 -7.554 -9.382 5.999 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.423 -11.942 4.896 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.441 -12.107 6.338 1.00 0.00 H new ATOM 0 HG SER A 51 -9.686 -11.750 6.842 1.00 0.00 H new ATOM 757 N GLN A 52 -4.895 -10.479 4.544 1.00 0.00 N ATOM 758 CA GLN A 52 -3.445 -10.582 4.678 1.00 0.00 C ATOM 759 C GLN A 52 -2.832 -9.231 5.056 1.00 0.00 C ATOM 760 O GLN A 52 -1.674 -9.196 5.456 1.00 0.00 O ATOM 761 CB GLN A 52 -2.813 -11.065 3.363 1.00 0.00 C ATOM 762 CG GLN A 52 -3.059 -12.559 3.102 1.00 0.00 C ATOM 763 CD GLN A 52 -2.411 -13.428 4.183 1.00 0.00 C ATOM 764 OE1 GLN A 52 -1.397 -13.063 4.776 1.00 0.00 O ATOM 765 NE2 GLN A 52 -2.992 -14.562 4.521 1.00 0.00 N ATOM 0 H GLN A 52 -5.221 -10.525 3.578 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.240 -11.303 5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.218 -10.484 2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.740 -10.877 3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.131 -12.753 3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.658 -12.830 2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.833 -14.869 4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.601 -15.132 5.271 1.00 0.00 H new ATOM 774 N ILE A 53 -3.559 -8.121 4.931 1.00 0.00 N ATOM 775 CA ILE A 53 -3.076 -6.790 5.271 1.00 0.00 C ATOM 776 C ILE A 53 -3.141 -6.604 6.788 1.00 0.00 C ATOM 777 O ILE A 53 -4.108 -7.024 7.436 1.00 0.00 O ATOM 778 CB ILE A 53 -3.941 -5.764 4.499 1.00 0.00 C ATOM 779 CG1 ILE A 53 -3.559 -5.843 3.004 1.00 0.00 C ATOM 780 CG2 ILE A 53 -3.803 -4.321 5.010 1.00 0.00 C ATOM 781 CD1 ILE A 53 -4.643 -5.353 2.044 1.00 0.00 C ATOM 0 H ILE A 53 -4.518 -8.126 4.584 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.035 -6.645 4.981 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.987 -6.027 4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.656 -5.255 2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.315 -6.877 2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.440 -3.663 4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.106 -4.275 6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.765 -4.000 4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.288 -5.445 1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.542 -5.955 2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.872 -4.309 2.257 1.00 0.00 H new ATOM 793 N THR A 54 -2.127 -5.952 7.356 1.00 0.00 N ATOM 794 CA THR A 54 -2.040 -5.650 8.777 1.00 0.00 C ATOM 795 C THR A 54 -1.413 -4.268 8.943 1.00 0.00 C ATOM 796 O THR A 54 -0.806 -3.727 8.013 1.00 0.00 O ATOM 797 CB THR A 54 -1.290 -6.758 9.544 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.741 -6.773 10.880 1.00 0.00 O ATOM 799 CG2 THR A 54 0.236 -6.641 9.539 1.00 0.00 C ATOM 0 H THR A 54 -1.326 -5.613 6.824 1.00 0.00 H new ATOM 0 HA THR A 54 -3.037 -5.625 9.218 1.00 0.00 H new ATOM 0 HB THR A 54 -1.516 -7.685 9.016 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.271 -7.476 11.376 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.666 -7.467 10.105 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.600 -6.676 8.512 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.530 -5.696 9.996 1.00 0.00 H new ATOM 807 N ARG A 55 -1.545 -3.724 10.152 1.00 0.00 N ATOM 808 CA ARG A 55 -1.042 -2.427 10.591 1.00 0.00 C ATOM 809 C ARG A 55 -1.289 -1.308 9.568 1.00 0.00 C ATOM 810 O ARG A 55 -0.338 -0.665 9.116 1.00 0.00 O ATOM 811 CB ARG A 55 0.443 -2.560 10.971 1.00 0.00 C ATOM 812 CG ARG A 55 0.728 -3.495 12.153 1.00 0.00 C ATOM 813 CD ARG A 55 2.242 -3.492 12.355 1.00 0.00 C ATOM 814 NE ARG A 55 2.692 -4.441 13.381 1.00 0.00 N ATOM 815 CZ ARG A 55 3.983 -4.660 13.657 1.00 0.00 C ATOM 816 NH1 ARG A 55 4.935 -4.064 12.942 1.00 0.00 N ATOM 817 NH2 ARG A 55 4.334 -5.461 14.653 1.00 0.00 N ATOM 0 H ARG A 55 -2.039 -4.212 10.899 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.605 -2.124 11.474 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.994 -2.919 10.102 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.832 -1.570 11.208 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.216 -3.151 13.052 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.366 -4.502 11.946 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.728 -3.732 11.409 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.563 -2.488 12.633 1.00 0.00 H new ATOM 0 HE ARG A 55 1.988 -4.957 13.908 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.682 -3.436 12.179 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.917 -4.235 13.157 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.617 -5.917 15.217 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.321 -5.621 14.855 1.00 0.00 H new ATOM 831 N MET A 56 -2.541 -1.089 9.148 1.00 0.00 N ATOM 832 CA MET A 56 -2.827 -0.022 8.189 1.00 0.00 C ATOM 833 C MET A 56 -2.917 1.312 8.935 1.00 0.00 C ATOM 834 O MET A 56 -3.787 1.470 9.797 1.00 0.00 O ATOM 835 CB MET A 56 -4.110 -0.274 7.376 1.00 0.00 C ATOM 836 CG MET A 56 -4.241 0.779 6.255 1.00 0.00 C ATOM 837 SD MET A 56 -5.919 1.060 5.632 1.00 0.00 S ATOM 838 CE MET A 56 -6.064 -0.286 4.438 1.00 0.00 C ATOM 0 H MET A 56 -3.354 -1.625 9.451 1.00 0.00 H new ATOM 0 HA MET A 56 -2.010 0.004 7.468 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.086 -1.275 6.945 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.980 -0.230 8.031 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.847 1.726 6.624 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.610 0.474 5.420 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.070 -0.293 4.018 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.338 -0.142 3.638 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.872 -1.236 4.936 1.00 0.00 H new ATOM 848 N CYS A 57 -2.026 2.253 8.620 1.00 0.00 N ATOM 849 CA CYS A 57 -1.971 3.599 9.189 1.00 0.00 C ATOM 850 C CYS A 57 -1.949 4.619 8.050 1.00 0.00 C ATOM 851 O CYS A 57 -1.650 4.276 6.905 1.00 0.00 O ATOM 852 CB CYS A 57 -0.749 3.767 10.102 1.00 0.00 C ATOM 853 SG CYS A 57 -1.209 3.381 11.808 1.00 0.00 S ATOM 0 H CYS A 57 -1.291 2.090 7.931 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.855 3.764 9.805 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.056 3.109 9.774 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.372 4.788 10.038 1.00 0.00 H new ATOM 0 HG CYS A 57 -0.172 3.522 12.579 1.00 0.00 H new ATOM 859 N LEU A 58 -2.241 5.884 8.368 1.00 0.00 N ATOM 860 CA LEU A 58 -2.273 6.981 7.399 1.00 0.00 C ATOM 861 C LEU A 58 -0.914 7.659 7.281 1.00 0.00 C ATOM 862 O LEU A 58 -0.159 7.743 8.259 1.00 0.00 O ATOM 863 CB LEU A 58 -3.303 8.035 7.834 1.00 0.00 C ATOM 864 CG LEU A 58 -4.746 7.566 7.589 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.695 8.250 8.568 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.206 7.845 6.155 1.00 0.00 C ATOM 0 H LEU A 58 -2.465 6.177 9.319 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.544 6.556 6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.169 8.257 8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.126 8.962 7.289 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.765 6.487 7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.714 7.910 8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.407 8.000 9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.643 9.330 8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.231 7.497 6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.160 8.916 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.555 7.320 5.456 1.00 0.00 H new ATOM 878 N LEU A 59 -0.619 8.127 6.071 1.00 0.00 N ATOM 879 CA LEU A 59 0.596 8.838 5.693 1.00 0.00 C ATOM 880 C LEU A 59 0.417 10.322 6.046 1.00 0.00 C ATOM 881 O LEU A 59 -0.689 10.748 6.403 1.00 0.00 O ATOM 882 CB LEU A 59 0.831 8.655 4.180 1.00 0.00 C ATOM 883 CG LEU A 59 1.128 7.197 3.766 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.166 7.045 2.245 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.464 6.710 4.336 1.00 0.00 C ATOM 0 H LEU A 59 -1.259 8.013 5.285 1.00 0.00 H new ATOM 0 HA LEU A 59 1.462 8.447 6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.050 9.004 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.664 9.287 3.872 1.00 0.00 H new ATOM 0 HG LEU A 59 0.318 6.592 4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.377 6.007 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.202 7.333 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.946 7.686 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.639 5.680 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.270 7.343 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.435 6.759 5.424 1.00 0.00 H new ATOM 897 N LYS A 60 1.502 11.112 6.022 1.00 0.00 N ATOM 898 CA LYS A 60 1.400 12.544 6.328 1.00 0.00 C ATOM 899 C LYS A 60 0.508 13.183 5.278 1.00 0.00 C ATOM 900 O LYS A 60 0.560 12.804 4.105 1.00 0.00 O ATOM 901 CB LYS A 60 2.759 13.266 6.384 1.00 0.00 C ATOM 902 CG LYS A 60 3.135 13.706 7.813 1.00 0.00 C ATOM 903 CD LYS A 60 4.553 13.284 8.202 1.00 0.00 C ATOM 904 CE LYS A 60 4.601 11.757 8.264 1.00 0.00 C ATOM 905 NZ LYS A 60 5.941 11.261 8.599 1.00 0.00 N ATOM 0 H LYS A 60 2.443 10.789 5.798 1.00 0.00 H new ATOM 0 HA LYS A 60 0.978 12.644 7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.534 12.606 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.729 14.140 5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.048 14.790 7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.425 13.277 8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.273 13.657 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.825 13.712 9.167 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.887 11.402 9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.292 11.345 7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.929 10.222 8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.619 11.577 7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.226 11.632 9.528 1.00 0.00 H new ATOM 919 N GLY A 61 -0.262 14.176 5.702 1.00 0.00 N ATOM 920 CA GLY A 61 -1.196 14.875 4.847 1.00 0.00 C ATOM 921 C GLY A 61 -2.388 13.974 4.516 1.00 0.00 C ATOM 922 O GLY A 61 -3.224 14.369 3.711 1.00 0.00 O ATOM 0 H GLY A 61 -0.251 14.519 6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.543 15.782 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.698 15.183 3.928 1.00 0.00 H new ATOM 926 N ASN A 62 -2.474 12.779 5.127 1.00 0.00 N ATOM 927 CA ASN A 62 -3.493 11.744 4.961 1.00 0.00 C ATOM 928 C ASN A 62 -3.613 11.234 3.523 1.00 0.00 C ATOM 929 O ASN A 62 -4.428 10.345 3.294 1.00 0.00 O ATOM 930 CB ASN A 62 -4.849 12.170 5.561 1.00 0.00 C ATOM 931 CG ASN A 62 -4.904 12.239 7.083 1.00 0.00 C ATOM 932 OD1 ASN A 62 -3.956 11.681 7.826 1.00 0.00 O flip ATOM 933 ND2 ASN A 62 -5.826 12.823 7.642 1.00 0.00 N flip ATOM 0 H ASN A 62 -1.768 12.495 5.807 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.150 10.885 5.538 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.111 13.150 5.161 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.613 11.471 5.219 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.564 13.258 7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.855 12.874 8.660 1.00 0.00 H new ATOM 940 N MET A 63 -2.748 11.695 2.610 1.00 0.00 N ATOM 941 CA MET A 63 -2.641 11.398 1.181 1.00 0.00 C ATOM 942 C MET A 63 -2.390 9.924 0.804 1.00 0.00 C ATOM 943 O MET A 63 -1.895 9.632 -0.289 1.00 0.00 O ATOM 944 CB MET A 63 -1.600 12.340 0.551 1.00 0.00 C ATOM 945 CG MET A 63 -2.078 13.797 0.500 1.00 0.00 C ATOM 946 SD MET A 63 -1.414 14.742 -0.901 1.00 0.00 S ATOM 947 CE MET A 63 -2.363 13.995 -2.258 1.00 0.00 C ATOM 0 H MET A 63 -2.027 12.360 2.890 1.00 0.00 H new ATOM 0 HA MET A 63 -3.631 11.580 0.764 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.673 12.285 1.122 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.372 12.000 -0.459 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.167 13.810 0.451 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.795 14.294 1.428 1.00 0.00 H new ATOM 0 HE1 MET A 63 -2.300 14.632 -3.140 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.953 13.012 -2.490 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.406 13.892 -1.959 1.00 0.00 H new ATOM 957 N GLY A 64 -2.673 8.977 1.690 1.00 0.00 N ATOM 958 CA GLY A 64 -2.496 7.565 1.445 1.00 0.00 C ATOM 959 C GLY A 64 -2.329 6.797 2.743 1.00 0.00 C ATOM 960 O GLY A 64 -2.372 7.357 3.846 1.00 0.00 O ATOM 0 H GLY A 64 -3.040 9.182 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.356 7.178 0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.621 7.410 0.813 1.00 0.00 H new ATOM 964 N VAL A 65 -2.127 5.492 2.605 1.00 0.00 N ATOM 965 CA VAL A 65 -1.949 4.565 3.707 1.00 0.00 C ATOM 966 C VAL A 65 -0.706 3.702 3.494 1.00 0.00 C ATOM 967 O VAL A 65 -0.214 3.535 2.375 1.00 0.00 O ATOM 968 CB VAL A 65 -3.225 3.707 3.896 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.405 4.550 4.402 1.00 0.00 C ATOM 970 CG2 VAL A 65 -3.658 2.955 2.624 1.00 0.00 C ATOM 0 H VAL A 65 -2.082 5.039 1.692 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.792 5.132 4.625 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.952 2.964 4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.282 3.914 4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.147 4.998 5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.625 5.338 3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.558 2.376 2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.864 3.672 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.859 2.284 2.309 1.00 0.00 H new ATOM 980 N CYS A 66 -0.204 3.148 4.594 1.00 0.00 N ATOM 981 CA CYS A 66 0.948 2.265 4.674 1.00 0.00 C ATOM 982 C CYS A 66 0.492 1.068 5.499 1.00 0.00 C ATOM 983 O CYS A 66 -0.251 1.254 6.468 1.00 0.00 O ATOM 984 CB CYS A 66 2.148 2.964 5.320 1.00 0.00 C ATOM 985 SG CYS A 66 1.676 3.683 6.921 1.00 0.00 S ATOM 0 H CYS A 66 -0.620 3.317 5.510 1.00 0.00 H new ATOM 0 HA CYS A 66 1.284 1.961 3.683 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.960 2.251 5.460 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.521 3.746 4.659 1.00 0.00 H new ATOM 0 HG CYS A 66 0.444 4.094 6.866 1.00 0.00 H new ATOM 991 N PHE A 67 0.922 -0.136 5.140 1.00 0.00 N ATOM 992 CA PHE A 67 0.553 -1.374 5.817 1.00 0.00 C ATOM 993 C PHE A 67 1.605 -2.445 5.525 1.00 0.00 C ATOM 994 O PHE A 67 2.541 -2.190 4.768 1.00 0.00 O ATOM 995 CB PHE A 67 -0.840 -1.803 5.328 1.00 0.00 C ATOM 996 CG PHE A 67 -0.980 -1.889 3.824 1.00 0.00 C ATOM 997 CD1 PHE A 67 -1.254 -0.728 3.078 1.00 0.00 C ATOM 998 CD2 PHE A 67 -0.831 -3.122 3.170 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.349 -0.799 1.684 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -0.984 -3.205 1.777 1.00 0.00 C ATOM 1001 CZ PHE A 67 -1.235 -2.041 1.033 1.00 0.00 C ATOM 0 H PHE A 67 1.552 -0.282 4.351 1.00 0.00 H new ATOM 0 HA PHE A 67 0.514 -1.229 6.897 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.078 -2.776 5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.578 -1.097 5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.391 0.218 3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.598 -4.009 3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.510 0.100 1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.909 -4.161 1.279 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.341 -2.099 -0.040 1.00 0.00 H new ATOM 1011 N ASP A 68 1.469 -3.635 6.110 1.00 0.00 N ATOM 1012 CA ASP A 68 2.404 -4.748 5.925 1.00 0.00 C ATOM 1013 C ASP A 68 1.653 -5.966 5.405 1.00 0.00 C ATOM 1014 O ASP A 68 0.522 -6.233 5.831 1.00 0.00 O ATOM 1015 CB ASP A 68 3.098 -5.075 7.259 1.00 0.00 C ATOM 1016 CG ASP A 68 4.564 -5.490 7.144 1.00 0.00 C ATOM 1017 OD1 ASP A 68 5.286 -4.926 6.296 1.00 0.00 O ATOM 1018 OD2 ASP A 68 4.999 -6.285 8.011 1.00 0.00 O ATOM 0 H ASP A 68 0.695 -3.858 6.736 1.00 0.00 H new ATOM 0 HA ASP A 68 3.164 -4.465 5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.034 -4.201 7.907 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.547 -5.877 7.750 1.00 0.00 H new ATOM 1023 N VAL A 69 2.275 -6.708 4.493 1.00 0.00 N ATOM 1024 CA VAL A 69 1.756 -7.923 3.860 1.00 0.00 C ATOM 1025 C VAL A 69 2.899 -8.913 3.637 1.00 0.00 C ATOM 1026 O VAL A 69 4.059 -8.500 3.562 1.00 0.00 O ATOM 1027 CB VAL A 69 1.066 -7.620 2.505 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.318 -7.002 2.699 1.00 0.00 C ATOM 1029 CG2 VAL A 69 1.890 -6.699 1.592 1.00 0.00 C ATOM 0 H VAL A 69 3.207 -6.467 4.155 1.00 0.00 H new ATOM 0 HA VAL A 69 1.009 -8.352 4.528 1.00 0.00 H new ATOM 0 HB VAL A 69 0.975 -8.590 2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.768 -6.805 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.950 -7.693 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.225 -6.067 3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.348 -6.529 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.058 -5.746 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.849 -7.168 1.372 1.00 0.00 H new ATOM 1039 N PRO A 70 2.623 -10.222 3.549 1.00 0.00 N ATOM 1040 CA PRO A 70 3.681 -11.179 3.298 1.00 0.00 C ATOM 1041 C PRO A 70 4.097 -10.987 1.830 1.00 0.00 C ATOM 1042 O PRO A 70 3.255 -10.806 0.942 1.00 0.00 O ATOM 1043 CB PRO A 70 3.067 -12.544 3.593 1.00 0.00 C ATOM 1044 CG PRO A 70 1.599 -12.340 3.224 1.00 0.00 C ATOM 1045 CD PRO A 70 1.331 -10.891 3.630 1.00 0.00 C ATOM 0 HA PRO A 70 4.577 -11.066 3.909 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.528 -13.332 2.998 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.186 -12.824 4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.426 -12.498 2.159 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.950 -13.034 3.758 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.604 -10.424 2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.922 -10.835 4.639 1.00 0.00 H new ATOM 1053 N THR A 71 5.401 -11.035 1.572 1.00 0.00 N ATOM 1054 CA THR A 71 5.996 -10.868 0.247 1.00 0.00 C ATOM 1055 C THR A 71 5.373 -11.823 -0.788 1.00 0.00 C ATOM 1056 O THR A 71 5.218 -11.461 -1.959 1.00 0.00 O ATOM 1057 CB THR A 71 7.542 -10.915 0.368 1.00 0.00 C ATOM 1058 OG1 THR A 71 8.157 -11.397 -0.803 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.087 -11.735 1.543 1.00 0.00 C ATOM 0 H THR A 71 6.095 -11.196 2.301 1.00 0.00 H new ATOM 0 HA THR A 71 5.758 -9.883 -0.155 1.00 0.00 H new ATOM 0 HB THR A 71 7.794 -9.869 0.545 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.129 -11.407 -0.681 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.176 -11.702 1.535 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.718 -11.318 2.480 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.755 -12.769 1.450 1.00 0.00 H new ATOM 1067 N THR A 72 4.946 -13.005 -0.347 1.00 0.00 N ATOM 1068 CA THR A 72 4.326 -14.037 -1.156 1.00 0.00 C ATOM 1069 C THR A 72 3.025 -13.541 -1.804 1.00 0.00 C ATOM 1070 O THR A 72 2.816 -13.751 -3.000 1.00 0.00 O ATOM 1071 CB THR A 72 4.138 -15.274 -0.257 1.00 0.00 C ATOM 1072 OG1 THR A 72 3.512 -14.906 0.961 1.00 0.00 O ATOM 1073 CG2 THR A 72 5.493 -15.880 0.131 1.00 0.00 C ATOM 0 H THR A 72 5.030 -13.276 0.633 1.00 0.00 H new ATOM 0 HA THR A 72 4.961 -14.308 -1.999 1.00 0.00 H new ATOM 0 HB THR A 72 3.536 -15.987 -0.821 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.397 -15.701 1.523 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.333 -16.752 0.766 1.00 0.00 H new ATOM 0 HG22 THR A 72 6.029 -16.180 -0.770 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.081 -15.139 0.673 1.00 0.00 H new ATOM 1081 N GLU A 73 2.149 -12.860 -1.058 1.00 0.00 N ATOM 1082 CA GLU A 73 0.889 -12.362 -1.607 1.00 0.00 C ATOM 1083 C GLU A 73 1.063 -10.988 -2.262 1.00 0.00 C ATOM 1084 O GLU A 73 0.250 -10.620 -3.110 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.214 -12.350 -0.532 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.480 -13.082 -1.019 1.00 0.00 C ATOM 1087 CD GLU A 73 -1.274 -14.598 -1.190 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -0.648 -15.245 -0.323 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -1.743 -15.191 -2.191 1.00 0.00 O ATOM 0 H GLU A 73 2.292 -12.642 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 73 0.573 -13.048 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.156 -12.825 0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.463 -11.320 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.288 -12.909 -0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.796 -12.655 -1.971 1.00 0.00 H new ATOM 1096 N SER A 74 2.121 -10.241 -1.924 1.00 0.00 N ATOM 1097 CA SER A 74 2.406 -8.918 -2.478 1.00 0.00 C ATOM 1098 C SER A 74 2.441 -8.961 -4.021 1.00 0.00 C ATOM 1099 O SER A 74 1.956 -8.035 -4.675 1.00 0.00 O ATOM 1100 CB SER A 74 3.680 -8.367 -1.808 1.00 0.00 C ATOM 1101 OG SER A 74 4.333 -7.374 -2.562 1.00 0.00 O ATOM 0 H SER A 74 2.816 -10.549 -1.243 1.00 0.00 H new ATOM 0 HA SER A 74 1.605 -8.214 -2.251 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.418 -7.956 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.372 -9.190 -1.632 1.00 0.00 H new ATOM 0 HG SER A 74 5.207 -7.182 -2.163 1.00 0.00 H new ATOM 1107 N GLU A 75 2.956 -10.034 -4.630 1.00 0.00 N ATOM 1108 CA GLU A 75 3.034 -10.196 -6.088 1.00 0.00 C ATOM 1109 C GLU A 75 1.627 -10.226 -6.714 1.00 0.00 C ATOM 1110 O GLU A 75 1.383 -9.641 -7.772 1.00 0.00 O ATOM 1111 CB GLU A 75 3.771 -11.510 -6.400 1.00 0.00 C ATOM 1112 CG GLU A 75 5.204 -11.621 -5.855 1.00 0.00 C ATOM 1113 CD GLU A 75 6.205 -10.731 -6.596 1.00 0.00 C ATOM 1114 OE1 GLU A 75 6.630 -11.097 -7.717 1.00 0.00 O ATOM 1115 OE2 GLU A 75 6.615 -9.681 -6.043 1.00 0.00 O ATOM 0 H GLU A 75 3.337 -10.828 -4.116 1.00 0.00 H new ATOM 0 HA GLU A 75 3.574 -9.350 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.185 -12.337 -5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.803 -11.638 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.205 -11.355 -4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.532 -12.658 -5.923 1.00 0.00 H new ATOM 1122 N ARG A 76 0.684 -10.919 -6.070 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.699 -11.024 -6.538 1.00 0.00 C ATOM 1124 C ARG A 76 -1.434 -9.716 -6.298 1.00 0.00 C ATOM 1125 O ARG A 76 -2.261 -9.319 -7.115 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.429 -12.125 -5.766 1.00 0.00 C ATOM 1127 CG ARG A 76 -1.067 -13.535 -6.239 1.00 0.00 C ATOM 1128 CD ARG A 76 -1.603 -14.499 -5.186 1.00 0.00 C ATOM 1129 NE ARG A 76 -1.796 -15.858 -5.704 1.00 0.00 N ATOM 1130 CZ ARG A 76 -2.691 -16.727 -5.221 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -3.351 -16.456 -4.100 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -2.909 -17.864 -5.870 1.00 0.00 N ATOM 0 H ARG A 76 0.861 -11.426 -5.203 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.682 -11.255 -7.603 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.194 -12.033 -4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.504 -11.979 -5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.508 -13.742 -7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.012 -13.642 -6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.912 -14.531 -4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.552 -14.122 -4.805 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.210 -16.160 -6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.176 -15.582 -3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.032 -17.122 -3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.396 -18.068 -6.728 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.589 -18.534 -5.511 1.00 0.00 H new ATOM 1146 N LEU A 77 -1.144 -9.051 -5.182 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.752 -7.784 -4.789 1.00 0.00 C ATOM 1148 C LEU A 77 -1.443 -6.705 -5.810 1.00 0.00 C ATOM 1149 O LEU A 77 -2.268 -5.815 -6.021 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.247 -7.385 -3.396 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.169 -7.977 -2.321 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.423 -8.262 -1.020 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.316 -6.998 -2.070 1.00 0.00 C ATOM 0 H LEU A 77 -0.459 -9.390 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.835 -7.901 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.228 -7.743 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.219 -6.299 -3.306 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.554 -8.931 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.114 -8.680 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.621 -8.975 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.001 -7.335 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.981 -7.404 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.913 -6.045 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.874 -6.846 -2.994 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.258 -6.769 -6.416 1.00 0.00 N ATOM 1166 CA GLN A 78 0.171 -5.835 -7.441 1.00 0.00 C ATOM 1167 C GLN A 78 -0.699 -6.078 -8.679 1.00 0.00 C ATOM 1168 O GLN A 78 -1.187 -5.125 -9.288 1.00 0.00 O ATOM 1169 CB GLN A 78 1.680 -6.038 -7.691 1.00 0.00 C ATOM 1170 CG GLN A 78 2.477 -5.333 -6.582 1.00 0.00 C ATOM 1171 CD GLN A 78 3.952 -5.722 -6.540 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.816 -5.011 -7.035 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.291 -6.823 -5.898 1.00 0.00 N ATOM 0 H GLN A 78 0.437 -7.484 -6.201 1.00 0.00 H new ATOM 0 HA GLN A 78 0.043 -4.793 -7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.918 -7.102 -7.706 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.956 -5.636 -8.666 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.399 -4.255 -6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.023 -5.564 -5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.570 -7.415 -5.486 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.274 -7.082 -5.814 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.950 -7.345 -9.030 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.761 -7.704 -10.189 1.00 0.00 C ATOM 1184 C ALA A 79 -3.244 -7.359 -10.008 1.00 0.00 C ATOM 1185 O ALA A 79 -3.851 -6.792 -10.913 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.588 -9.188 -10.494 1.00 0.00 C ATOM 0 H ALA A 79 -0.593 -8.149 -8.514 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.408 -7.110 -11.032 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.194 -9.455 -11.360 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.539 -9.396 -10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.906 -9.776 -9.633 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.836 -7.651 -8.845 1.00 0.00 N ATOM 1193 CA GLU A 80 -5.253 -7.373 -8.570 1.00 0.00 C ATOM 1194 C GLU A 80 -5.568 -5.868 -8.532 1.00 0.00 C ATOM 1195 O GLU A 80 -6.732 -5.469 -8.438 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.700 -8.050 -7.260 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.778 -9.581 -7.379 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.523 -10.267 -6.222 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -6.054 -10.192 -5.062 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -7.524 -10.976 -6.496 1.00 0.00 O ATOM 0 H GLU A 80 -3.346 -8.088 -8.065 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.819 -7.795 -9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.004 -7.787 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.677 -7.662 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.272 -9.836 -8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.766 -9.982 -7.433 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.549 -5.012 -8.583 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.720 -3.575 -8.559 1.00 0.00 C ATOM 1209 C TRP A 81 -4.961 -3.026 -9.967 1.00 0.00 C ATOM 1210 O TRP A 81 -4.021 -2.696 -10.687 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.552 -2.908 -7.823 1.00 0.00 C ATOM 1212 CG TRP A 81 -3.992 -1.662 -7.126 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.634 -0.397 -7.435 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -4.996 -1.555 -6.077 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.325 0.483 -6.624 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.205 -0.177 -5.786 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.787 -2.494 -5.384 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.162 0.244 -4.846 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.746 -2.080 -4.446 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -6.939 -0.715 -4.177 1.00 0.00 C ATOM 0 H TRP A 81 -3.575 -5.308 -8.643 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.617 -3.328 -7.992 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.131 -3.604 -7.097 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.760 -2.670 -8.533 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.920 -0.117 -8.196 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.201 1.495 -6.641 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.653 -3.548 -5.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.298 1.295 -4.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.340 -2.817 -3.927 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.683 -0.404 -3.458 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.230 -2.947 -10.365 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.703 -2.439 -11.649 1.00 0.00 C ATOM 1233 C HIS A 82 -7.960 -1.618 -11.377 1.00 0.00 C ATOM 1234 O HIS A 82 -8.543 -1.747 -10.299 1.00 0.00 O ATOM 1235 CB HIS A 82 -7.011 -3.590 -12.620 1.00 0.00 C ATOM 1236 CG HIS A 82 -5.779 -4.092 -13.318 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -4.836 -4.937 -12.787 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -5.353 -3.726 -14.566 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -3.850 -5.058 -13.678 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -4.122 -4.363 -14.799 1.00 0.00 N ATOM 0 H HIS A 82 -6.997 -3.253 -9.766 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.934 -1.825 -12.117 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.475 -4.410 -12.072 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.734 -3.253 -13.362 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -4.881 -5.391 -11.875 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.869 -3.067 -15.248 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -2.952 -5.637 -13.521 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.385 -0.783 -12.335 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.576 0.077 -12.247 1.00 0.00 C ATOM 1250 C ASP A 83 -9.620 0.844 -10.911 1.00 0.00 C ATOM 1251 O ASP A 83 -10.694 1.133 -10.374 1.00 0.00 O ATOM 1252 CB ASP A 83 -10.851 -0.776 -12.455 1.00 0.00 C ATOM 1253 CG ASP A 83 -11.006 -1.319 -13.872 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -10.984 -0.501 -14.818 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -11.243 -2.539 -14.038 1.00 0.00 O ATOM 0 H ASP A 83 -7.893 -0.683 -13.223 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.526 0.826 -13.037 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.835 -1.612 -11.756 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.725 -0.172 -12.210 1.00 0.00 H new ATOM 1260 N SER A 84 -8.460 1.182 -10.340 1.00 0.00 N ATOM 1261 CA SER A 84 -8.352 1.861 -9.058 1.00 0.00 C ATOM 1262 C SER A 84 -7.828 3.290 -9.177 1.00 0.00 C ATOM 1263 O SER A 84 -6.773 3.533 -9.754 1.00 0.00 O ATOM 1264 CB SER A 84 -7.436 1.032 -8.149 1.00 0.00 C ATOM 1265 OG SER A 84 -7.850 -0.314 -8.072 1.00 0.00 O ATOM 0 H SER A 84 -7.556 0.985 -10.769 1.00 0.00 H new ATOM 0 HA SER A 84 -9.353 1.943 -8.634 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.414 1.077 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.427 1.467 -7.149 1.00 0.00 H new ATOM 0 HG SER A 84 -7.900 -0.693 -8.974 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.516 4.237 -8.544 1.00 0.00 N ATOM 1272 CA ASP A 85 -8.183 5.668 -8.501 1.00 0.00 C ATOM 1273 C ASP A 85 -7.062 5.918 -7.471 1.00 0.00 C ATOM 1274 O ASP A 85 -6.987 6.987 -6.874 1.00 0.00 O ATOM 1275 CB ASP A 85 -9.450 6.468 -8.113 1.00 0.00 C ATOM 1276 CG ASP A 85 -10.364 6.806 -9.283 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -10.540 5.980 -10.200 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -10.946 7.915 -9.286 1.00 0.00 O ATOM 0 H ASP A 85 -9.364 4.022 -8.019 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.832 5.993 -9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.016 5.894 -7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.145 7.395 -7.627 1.00 0.00 H new ATOM 1283 N TRP A 86 -6.243 4.917 -7.143 1.00 0.00 N ATOM 1284 CA TRP A 86 -5.166 5.018 -6.165 1.00 0.00 C ATOM 1285 C TRP A 86 -3.944 4.306 -6.738 1.00 0.00 C ATOM 1286 O TRP A 86 -4.101 3.253 -7.368 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.603 4.347 -4.855 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.899 4.747 -4.195 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -8.140 4.692 -4.737 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -7.113 5.120 -2.801 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -9.081 5.104 -3.819 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -8.510 5.329 -2.587 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -6.269 5.240 -1.679 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -9.036 5.646 -1.328 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -6.784 5.537 -0.405 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -8.164 5.745 -0.230 1.00 0.00 C ATOM 0 H TRP A 86 -6.315 3.990 -7.563 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.928 6.061 -5.958 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.653 3.274 -5.042 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.807 4.507 -4.128 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.360 4.371 -5.745 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.072 5.226 -4.026 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -5.205 5.101 -1.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -10.096 5.812 -1.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -6.118 5.606 0.442 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -8.554 5.981 0.749 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.748 4.844 -6.519 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.501 4.286 -7.021 1.00 0.00 C ATOM 1309 C ILE A 87 -0.883 3.418 -5.926 1.00 0.00 C ATOM 1310 O ILE A 87 -0.757 3.857 -4.780 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.554 5.419 -7.490 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -1.201 6.357 -8.543 1.00 0.00 C ATOM 1313 CG2 ILE A 87 0.717 4.800 -8.103 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -1.982 7.547 -7.962 1.00 0.00 C ATOM 0 H ILE A 87 -2.618 5.698 -5.976 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.684 3.658 -7.893 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.323 6.020 -6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.417 6.741 -9.196 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.875 5.769 -9.166 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.385 5.595 -8.434 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.222 4.190 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.444 4.177 -8.955 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.396 8.143 -8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.793 7.178 -7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.312 8.165 -7.364 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.507 2.184 -6.275 1.00 0.00 N ATOM 1327 CA LEU A 88 0.112 1.215 -5.372 1.00 0.00 C ATOM 1328 C LEU A 88 1.610 1.195 -5.657 1.00 0.00 C ATOM 1329 O LEU A 88 2.008 1.170 -6.828 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.499 -0.180 -5.607 1.00 0.00 C ATOM 1331 CG LEU A 88 -0.057 -1.237 -4.571 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.805 -1.048 -3.246 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.325 -2.645 -5.117 1.00 0.00 C ATOM 0 H LEU A 88 -0.629 1.823 -7.221 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.064 1.493 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.586 -0.098 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.223 -0.524 -6.604 1.00 0.00 H new ATOM 0 HG LEU A 88 1.010 -1.113 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.477 -1.804 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.593 -0.056 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.877 -1.150 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.011 -3.386 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.390 -2.761 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.236 -2.790 -6.040 1.00 0.00 H new ATOM 1345 N SER A 89 2.422 1.210 -4.603 1.00 0.00 N ATOM 1346 CA SER A 89 3.878 1.189 -4.680 1.00 0.00 C ATOM 1347 C SER A 89 4.433 0.246 -3.601 1.00 0.00 C ATOM 1348 O SER A 89 3.704 -0.145 -2.683 1.00 0.00 O ATOM 1349 CB SER A 89 4.401 2.622 -4.513 1.00 0.00 C ATOM 1350 OG SER A 89 3.756 3.540 -5.389 1.00 0.00 O ATOM 0 H SER A 89 2.074 1.238 -3.645 1.00 0.00 H new ATOM 0 HA SER A 89 4.210 0.814 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.252 2.942 -3.482 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.475 2.638 -4.700 1.00 0.00 H new ATOM 0 HG SER A 89 4.120 4.439 -5.246 1.00 0.00 H new ATOM 1356 N VAL A 90 5.697 -0.167 -3.724 1.00 0.00 N ATOM 1357 CA VAL A 90 6.367 -1.049 -2.773 1.00 0.00 C ATOM 1358 C VAL A 90 7.789 -0.501 -2.555 1.00 0.00 C ATOM 1359 O VAL A 90 8.724 -0.897 -3.260 1.00 0.00 O ATOM 1360 CB VAL A 90 6.244 -2.530 -3.206 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.707 -2.858 -4.636 1.00 0.00 C ATOM 1362 CG2 VAL A 90 6.911 -3.474 -2.200 1.00 0.00 C ATOM 0 H VAL A 90 6.293 0.110 -4.504 1.00 0.00 H new ATOM 0 HA VAL A 90 5.889 -1.053 -1.793 1.00 0.00 H new ATOM 0 HB VAL A 90 5.167 -2.698 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.574 -3.923 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.116 -2.285 -5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.760 -2.598 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.803 -4.504 -2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.970 -3.229 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.436 -3.362 -1.226 1.00 0.00 H new ATOM 1372 N PRO A 91 7.969 0.459 -1.629 1.00 0.00 N ATOM 1373 CA PRO A 91 9.278 1.026 -1.356 1.00 0.00 C ATOM 1374 C PRO A 91 10.158 0.018 -0.610 1.00 0.00 C ATOM 1375 O PRO A 91 9.693 -1.034 -0.161 1.00 0.00 O ATOM 1376 CB PRO A 91 9.007 2.286 -0.529 1.00 0.00 C ATOM 1377 CG PRO A 91 7.713 1.963 0.216 1.00 0.00 C ATOM 1378 CD PRO A 91 6.964 1.034 -0.741 1.00 0.00 C ATOM 0 HA PRO A 91 9.825 1.271 -2.267 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.824 2.495 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.894 3.165 -1.164 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.912 1.477 1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 91 7.139 2.864 0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.439 0.253 -0.192 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.214 1.584 -1.309 1.00 0.00 H new