USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=22 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 32 GLN :FLIP amide:sc= 1.26 F(o=0.11,f=2.4) USER MOD Set 1.2: A 36 CYS SG : rot -160:sc= 1.12 USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0.0369 USER MOD Set 2.2: A 63 MET CE :methyl 162:sc= -0.322 (180deg=-0.828) USER MOD Set 3.1: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 74 SER OG : rot -58:sc= 0.543 USER MOD Set 3.3: A 78 GLN :FLIP amide:sc= 0.519 F(o=-0.019,f=1.1) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -150:sc= -0.0682 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0355 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.687 K(o=0.69,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.877) USER MOD Single : A 46 SER OG : rot -76:sc= 0.899 USER MOD Single : A 47 SER OG : rot 180:sc= 0.00252 USER MOD Single : A 48 ASN : amide:sc=-0.000324 X(o=-0.00032,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 1.06 K(o=1.1,f=-0.0056) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -166:sc= -0.901 (180deg=-1.28) USER MOD Single : A 57 CYS SG : rot 75:sc= 0.00122 USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= -0.218 (180deg=-0.226) USER MOD Single : A 62 ASN : amide:sc= -0.053 K(o=-0.053,f=-1.6!) USER MOD Single : A 66 CYS SG : rot -17:sc= 0.277 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0547 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 110:sc= -0.423 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 254 N PHE A 20 7.791 -10.759 5.211 1.00 0.00 N ATOM 255 CA PHE A 20 6.843 -9.657 5.163 1.00 0.00 C ATOM 256 C PHE A 20 7.522 -8.518 4.405 1.00 0.00 C ATOM 257 O PHE A 20 8.742 -8.524 4.199 1.00 0.00 O ATOM 258 CB PHE A 20 6.350 -9.249 6.562 1.00 0.00 C ATOM 259 CG PHE A 20 4.934 -9.719 6.835 1.00 0.00 C ATOM 260 CD1 PHE A 20 4.686 -11.052 7.214 1.00 0.00 C ATOM 261 CD2 PHE A 20 3.855 -8.836 6.642 1.00 0.00 C ATOM 262 CE1 PHE A 20 3.363 -11.496 7.396 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.532 -9.280 6.829 1.00 0.00 C ATOM 264 CZ PHE A 20 2.288 -10.612 7.203 1.00 0.00 C ATOM 0 HA PHE A 20 5.934 -9.954 4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.019 -9.664 7.316 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.395 -8.164 6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.510 -11.733 7.365 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.043 -7.814 6.349 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.173 -12.519 7.685 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.707 -8.598 6.685 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.274 -10.957 7.342 1.00 0.00 H new ATOM 274 N VAL A 21 6.704 -7.573 3.967 1.00 0.00 N ATOM 275 CA VAL A 21 7.072 -6.395 3.212 1.00 0.00 C ATOM 276 C VAL A 21 6.003 -5.330 3.524 1.00 0.00 C ATOM 277 O VAL A 21 4.878 -5.671 3.916 1.00 0.00 O ATOM 278 CB VAL A 21 7.213 -6.813 1.727 1.00 0.00 C ATOM 279 CG1 VAL A 21 6.025 -7.641 1.204 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.434 -5.631 0.786 1.00 0.00 C ATOM 0 H VAL A 21 5.700 -7.616 4.144 1.00 0.00 H new ATOM 0 HA VAL A 21 8.034 -5.954 3.475 1.00 0.00 H new ATOM 0 HB VAL A 21 8.104 -7.441 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.193 -7.898 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.932 -8.554 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.108 -7.058 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.525 -5.993 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.588 -4.947 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.348 -5.107 1.068 1.00 0.00 H new ATOM 290 N THR A 22 6.341 -4.048 3.411 1.00 0.00 N ATOM 291 CA THR A 22 5.417 -2.950 3.669 1.00 0.00 C ATOM 292 C THR A 22 5.004 -2.344 2.317 1.00 0.00 C ATOM 293 O THR A 22 5.803 -2.273 1.386 1.00 0.00 O ATOM 294 CB THR A 22 6.074 -1.978 4.665 1.00 0.00 C ATOM 295 OG1 THR A 22 6.527 -2.695 5.807 1.00 0.00 O ATOM 296 CG2 THR A 22 5.104 -0.900 5.153 1.00 0.00 C ATOM 0 H THR A 22 7.274 -3.741 3.135 1.00 0.00 H new ATOM 0 HA THR A 22 4.491 -3.269 4.147 1.00 0.00 H new ATOM 0 HB THR A 22 6.899 -1.499 4.138 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.946 -2.074 6.438 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.616 -0.240 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.747 -0.320 4.302 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.257 -1.371 5.652 1.00 0.00 H new ATOM 304 N MET A 23 3.744 -1.922 2.198 1.00 0.00 N ATOM 305 CA MET A 23 3.139 -1.335 1.004 1.00 0.00 C ATOM 306 C MET A 23 2.605 0.054 1.313 1.00 0.00 C ATOM 307 O MET A 23 2.211 0.342 2.453 1.00 0.00 O ATOM 308 CB MET A 23 1.944 -2.206 0.582 1.00 0.00 C ATOM 309 CG MET A 23 2.314 -3.402 -0.285 1.00 0.00 C ATOM 310 SD MET A 23 2.182 -3.110 -2.073 1.00 0.00 S ATOM 311 CE MET A 23 1.744 -4.780 -2.640 1.00 0.00 C ATOM 0 H MET A 23 3.084 -1.984 2.974 1.00 0.00 H new ATOM 0 HA MET A 23 3.892 -1.278 0.218 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.437 -2.565 1.478 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.231 -1.585 0.039 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.337 -3.699 -0.053 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.670 -4.240 -0.019 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.625 -4.777 -3.723 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.535 -5.477 -2.364 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.809 -5.089 -2.173 1.00 0.00 H new ATOM 321 N THR A 24 2.473 0.881 0.279 1.00 0.00 N ATOM 322 CA THR A 24 1.962 2.245 0.368 1.00 0.00 C ATOM 323 C THR A 24 0.872 2.385 -0.706 1.00 0.00 C ATOM 324 O THR A 24 0.870 1.650 -1.701 1.00 0.00 O ATOM 325 CB THR A 24 3.142 3.228 0.228 1.00 0.00 C ATOM 326 OG1 THR A 24 4.250 2.779 0.990 1.00 0.00 O ATOM 327 CG2 THR A 24 2.849 4.636 0.725 1.00 0.00 C ATOM 0 H THR A 24 2.726 0.612 -0.672 1.00 0.00 H new ATOM 0 HA THR A 24 1.503 2.478 1.329 1.00 0.00 H new ATOM 0 HB THR A 24 3.340 3.260 -0.843 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.773 3.550 1.292 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.732 5.261 0.589 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.017 5.056 0.160 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.588 4.602 1.783 1.00 0.00 H new ATOM 335 N LEU A 25 -0.087 3.292 -0.517 1.00 0.00 N ATOM 336 CA LEU A 25 -1.193 3.520 -1.444 1.00 0.00 C ATOM 337 C LEU A 25 -1.357 5.040 -1.512 1.00 0.00 C ATOM 338 O LEU A 25 -1.740 5.672 -0.523 1.00 0.00 O ATOM 339 CB LEU A 25 -2.419 2.737 -0.917 1.00 0.00 C ATOM 340 CG LEU A 25 -3.452 2.202 -1.928 1.00 0.00 C ATOM 341 CD1 LEU A 25 -2.859 1.399 -3.086 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.391 1.239 -1.186 1.00 0.00 C ATOM 0 H LEU A 25 -0.116 3.900 0.301 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.037 3.158 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.046 1.887 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.948 3.384 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.941 3.082 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.660 1.064 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.167 2.027 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.327 0.533 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.133 0.846 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.812 0.415 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.896 1.772 -0.380 1.00 0.00 H new ATOM 354 N GLU A 26 -0.956 5.625 -2.642 1.00 0.00 N ATOM 355 CA GLU A 26 -0.981 7.052 -2.940 1.00 0.00 C ATOM 356 C GLU A 26 -2.282 7.431 -3.654 1.00 0.00 C ATOM 357 O GLU A 26 -2.562 6.956 -4.756 1.00 0.00 O ATOM 358 CB GLU A 26 0.275 7.415 -3.757 1.00 0.00 C ATOM 359 CG GLU A 26 1.543 7.007 -2.984 1.00 0.00 C ATOM 360 CD GLU A 26 2.813 7.729 -3.447 1.00 0.00 C ATOM 361 OE1 GLU A 26 3.224 7.601 -4.627 1.00 0.00 O ATOM 362 OE2 GLU A 26 3.424 8.441 -2.613 1.00 0.00 O ATOM 0 H GLU A 26 -0.583 5.079 -3.419 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.961 7.630 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.249 6.910 -4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.291 8.486 -3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.390 7.207 -1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.690 5.932 -3.088 1.00 0.00 H new ATOM 369 N SER A 27 -3.091 8.240 -2.980 1.00 0.00 N ATOM 370 CA SER A 27 -4.395 8.763 -3.376 1.00 0.00 C ATOM 371 C SER A 27 -4.338 9.947 -4.348 1.00 0.00 C ATOM 372 O SER A 27 -3.261 10.390 -4.769 1.00 0.00 O ATOM 373 CB SER A 27 -5.068 9.218 -2.079 1.00 0.00 C ATOM 374 OG SER A 27 -4.165 9.896 -1.240 1.00 0.00 O ATOM 0 H SER A 27 -2.826 8.579 -2.055 1.00 0.00 H new ATOM 0 HA SER A 27 -4.935 7.980 -3.909 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.909 9.871 -2.314 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.473 8.352 -1.555 1.00 0.00 H new ATOM 0 HG SER A 27 -4.626 10.175 -0.421 1.00 0.00 H new ATOM 380 N LEU A 28 -5.518 10.487 -4.668 1.00 0.00 N ATOM 381 CA LEU A 28 -5.733 11.624 -5.554 1.00 0.00 C ATOM 382 C LEU A 28 -6.212 12.862 -4.787 1.00 0.00 C ATOM 383 O LEU A 28 -6.222 13.962 -5.345 1.00 0.00 O ATOM 384 CB LEU A 28 -6.629 11.314 -6.752 1.00 0.00 C ATOM 385 CG LEU A 28 -7.911 10.521 -6.470 1.00 0.00 C ATOM 386 CD1 LEU A 28 -8.954 10.838 -7.536 1.00 0.00 C ATOM 387 CD2 LEU A 28 -7.591 9.023 -6.521 1.00 0.00 C ATOM 0 H LEU A 28 -6.393 10.119 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.754 11.853 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.909 12.258 -7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.040 10.759 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.298 10.792 -5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.864 10.273 -7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.178 11.905 -7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.567 10.563 -8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.497 8.450 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.209 8.766 -7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.839 8.786 -5.769 1.00 0.00 H new ATOM 399 N GLU A 29 -6.629 12.687 -3.534 1.00 0.00 N ATOM 400 CA GLU A 29 -7.103 13.716 -2.611 1.00 0.00 C ATOM 401 C GLU A 29 -7.083 13.166 -1.176 1.00 0.00 C ATOM 402 O GLU A 29 -6.793 11.987 -0.958 1.00 0.00 O ATOM 403 CB GLU A 29 -8.537 14.153 -2.987 1.00 0.00 C ATOM 404 CG GLU A 29 -8.611 15.653 -3.304 1.00 0.00 C ATOM 405 CD GLU A 29 -8.426 16.538 -2.068 1.00 0.00 C ATOM 406 OE1 GLU A 29 -7.278 16.694 -1.597 1.00 0.00 O ATOM 407 OE2 GLU A 29 -9.431 17.073 -1.542 1.00 0.00 O ATOM 0 H GLU A 29 -6.646 11.760 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.446 14.583 -2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.876 13.582 -3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.215 13.921 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.845 15.901 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.575 15.875 -3.761 1.00 0.00 H new ATOM 414 N GLU A 30 -7.353 14.011 -0.178 1.00 0.00 N ATOM 415 CA GLU A 30 -7.404 13.600 1.220 1.00 0.00 C ATOM 416 C GLU A 30 -8.652 12.756 1.444 1.00 0.00 C ATOM 417 O GLU A 30 -9.669 12.911 0.767 1.00 0.00 O ATOM 418 CB GLU A 30 -7.490 14.819 2.143 1.00 0.00 C ATOM 419 CG GLU A 30 -6.112 15.387 2.456 1.00 0.00 C ATOM 420 CD GLU A 30 -6.263 16.550 3.435 1.00 0.00 C ATOM 421 OE1 GLU A 30 -6.717 17.641 3.022 1.00 0.00 O ATOM 422 OE2 GLU A 30 -6.101 16.334 4.658 1.00 0.00 O ATOM 0 H GLU A 30 -7.543 15.003 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.499 13.036 1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.103 15.589 1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.987 14.538 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.475 14.614 2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.628 15.726 1.540 1.00 0.00 H new ATOM 429 N ILE A 31 -8.583 11.895 2.449 1.00 0.00 N ATOM 430 CA ILE A 31 -9.659 10.992 2.856 1.00 0.00 C ATOM 431 C ILE A 31 -10.023 11.260 4.319 1.00 0.00 C ATOM 432 O ILE A 31 -9.355 12.043 5.000 1.00 0.00 O ATOM 433 CB ILE A 31 -9.285 9.520 2.571 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.964 9.141 3.265 1.00 0.00 C ATOM 435 CG2 ILE A 31 -9.273 9.249 1.059 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.569 7.664 3.157 1.00 0.00 C ATOM 0 H ILE A 31 -7.748 11.800 3.027 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.552 11.185 2.261 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.049 8.871 2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.163 9.746 2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.038 9.404 4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.008 8.207 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.262 9.449 0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.541 9.899 0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.625 7.501 3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.345 7.046 3.609 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.456 7.393 2.107 1.00 0.00 H new ATOM 448 N GLN A 32 -11.105 10.635 4.791 1.00 0.00 N ATOM 449 CA GLN A 32 -11.594 10.785 6.158 1.00 0.00 C ATOM 450 C GLN A 32 -10.654 10.111 7.154 1.00 0.00 C ATOM 451 O GLN A 32 -10.278 10.717 8.154 1.00 0.00 O ATOM 452 CB GLN A 32 -12.991 10.158 6.291 1.00 0.00 C ATOM 453 CG GLN A 32 -14.059 10.836 5.426 1.00 0.00 C ATOM 454 CD GLN A 32 -15.336 10.005 5.433 1.00 0.00 C ATOM 455 OE1 GLN A 32 -16.316 10.342 6.245 1.00 0.00 O flip ATOM 456 NE2 GLN A 32 -15.446 9.012 4.717 1.00 0.00 N flip ATOM 0 H GLN A 32 -11.671 10.003 4.225 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.641 11.851 6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -12.933 9.104 6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.301 10.202 7.335 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.264 11.837 5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.694 10.950 4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.687 8.750 4.088 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.296 8.450 4.752 1.00 0.00 H new ATOM 465 N ASP A 33 -10.362 8.830 6.915 1.00 0.00 N ATOM 466 CA ASP A 33 -9.510 7.976 7.732 1.00 0.00 C ATOM 467 C ASP A 33 -9.272 6.681 6.936 1.00 0.00 C ATOM 468 O ASP A 33 -9.640 6.606 5.757 1.00 0.00 O ATOM 469 CB ASP A 33 -10.224 7.678 9.061 1.00 0.00 C ATOM 470 CG ASP A 33 -9.253 7.331 10.182 1.00 0.00 C ATOM 471 OD1 ASP A 33 -8.908 6.141 10.345 1.00 0.00 O ATOM 472 OD2 ASP A 33 -8.944 8.206 11.017 1.00 0.00 O ATOM 0 H ASP A 33 -10.735 8.339 6.103 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.557 8.454 7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.816 8.545 9.354 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.919 6.851 8.918 1.00 0.00 H new ATOM 477 N VAL A 34 -8.707 5.635 7.557 1.00 0.00 N ATOM 478 CA VAL A 34 -8.440 4.349 6.905 1.00 0.00 C ATOM 479 C VAL A 34 -9.725 3.692 6.363 1.00 0.00 C ATOM 480 O VAL A 34 -9.645 2.779 5.546 1.00 0.00 O ATOM 481 CB VAL A 34 -7.673 3.387 7.849 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.320 3.954 8.318 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.490 2.925 9.068 1.00 0.00 C ATOM 0 H VAL A 34 -8.421 5.661 8.536 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.802 4.557 6.046 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.486 2.511 7.228 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.832 3.234 8.975 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.685 4.143 7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.484 4.886 8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.885 2.255 9.679 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.782 3.792 9.660 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.383 2.400 8.730 1.00 0.00 H new ATOM 493 N SER A 35 -10.911 4.125 6.797 1.00 0.00 N ATOM 494 CA SER A 35 -12.198 3.598 6.364 1.00 0.00 C ATOM 495 C SER A 35 -12.378 3.726 4.848 1.00 0.00 C ATOM 496 O SER A 35 -12.682 2.729 4.195 1.00 0.00 O ATOM 497 CB SER A 35 -13.324 4.286 7.144 1.00 0.00 C ATOM 498 OG SER A 35 -13.087 5.677 7.333 1.00 0.00 O ATOM 0 H SER A 35 -11.000 4.876 7.481 1.00 0.00 H new ATOM 0 HA SER A 35 -12.236 2.531 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.265 4.150 6.612 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.435 3.805 8.116 1.00 0.00 H new ATOM 0 HG SER A 35 -13.832 6.071 7.833 1.00 0.00 H new ATOM 504 N CYS A 36 -12.171 4.918 4.275 1.00 0.00 N ATOM 505 CA CYS A 36 -12.313 5.154 2.835 1.00 0.00 C ATOM 506 C CYS A 36 -11.491 4.126 2.055 1.00 0.00 C ATOM 507 O CYS A 36 -11.983 3.462 1.139 1.00 0.00 O ATOM 508 CB CYS A 36 -11.820 6.566 2.484 1.00 0.00 C ATOM 509 SG CYS A 36 -12.831 7.841 3.278 1.00 0.00 S ATOM 0 H CYS A 36 -11.899 5.749 4.800 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.365 5.059 2.566 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.782 6.678 2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.844 6.702 1.403 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.674 8.970 2.654 1.00 0.00 H new ATOM 515 N ALA A 37 -10.229 4.002 2.458 1.00 0.00 N ATOM 516 CA ALA A 37 -9.248 3.111 1.883 1.00 0.00 C ATOM 517 C ALA A 37 -9.674 1.640 2.016 1.00 0.00 C ATOM 518 O ALA A 37 -9.707 0.915 1.021 1.00 0.00 O ATOM 519 CB ALA A 37 -7.930 3.389 2.595 1.00 0.00 C ATOM 0 H ALA A 37 -9.853 4.550 3.232 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.145 3.288 0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.155 2.737 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.645 4.430 2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.046 3.200 3.662 1.00 0.00 H new ATOM 525 N TRP A 38 -10.032 1.184 3.223 1.00 0.00 N ATOM 526 CA TRP A 38 -10.464 -0.190 3.491 1.00 0.00 C ATOM 527 C TRP A 38 -11.623 -0.600 2.593 1.00 0.00 C ATOM 528 O TRP A 38 -11.629 -1.707 2.039 1.00 0.00 O ATOM 529 CB TRP A 38 -10.925 -0.353 4.952 1.00 0.00 C ATOM 530 CG TRP A 38 -9.968 -0.988 5.907 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.712 -0.528 7.151 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.207 -2.233 5.773 1.00 0.00 C ATOM 533 NE1 TRP A 38 -8.869 -1.407 7.799 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.511 -2.464 6.995 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.025 -3.189 4.749 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.680 -3.575 7.197 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.174 -4.296 4.935 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.509 -4.498 6.154 1.00 0.00 C ATOM 0 H TRP A 38 -10.029 1.773 4.056 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.600 -0.825 3.293 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.180 0.634 5.337 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -11.842 -0.942 4.952 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.106 0.385 7.572 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.549 -1.287 8.760 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -9.546 -3.069 3.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -7.178 -3.718 8.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.031 -4.999 4.128 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.870 -5.358 6.289 1.00 0.00 H new ATOM 549 N LYS A 39 -12.610 0.286 2.449 1.00 0.00 N ATOM 550 CA LYS A 39 -13.786 0.016 1.641 1.00 0.00 C ATOM 551 C LYS A 39 -13.419 -0.216 0.182 1.00 0.00 C ATOM 552 O LYS A 39 -13.988 -1.123 -0.431 1.00 0.00 O ATOM 553 CB LYS A 39 -14.840 1.112 1.851 1.00 0.00 C ATOM 554 CG LYS A 39 -15.357 1.037 3.300 1.00 0.00 C ATOM 555 CD LYS A 39 -16.511 1.997 3.596 1.00 0.00 C ATOM 556 CE LYS A 39 -17.824 1.257 3.338 1.00 0.00 C ATOM 557 NZ LYS A 39 -19.015 2.107 3.460 1.00 0.00 N ATOM 0 H LYS A 39 -12.611 1.206 2.890 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.241 -0.918 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.407 2.093 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.664 0.982 1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.683 0.018 3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.534 1.253 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.465 2.340 4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.442 2.882 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.797 0.826 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.907 0.427 4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.867 1.540 3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.065 2.499 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.958 2.885 2.772 1.00 0.00 H new ATOM 571 N GLU A 40 -12.473 0.552 -0.361 1.00 0.00 N ATOM 572 CA GLU A 40 -12.033 0.398 -1.743 1.00 0.00 C ATOM 573 C GLU A 40 -11.187 -0.866 -1.879 1.00 0.00 C ATOM 574 O GLU A 40 -11.365 -1.619 -2.829 1.00 0.00 O ATOM 575 CB GLU A 40 -11.246 1.626 -2.184 1.00 0.00 C ATOM 576 CG GLU A 40 -11.000 1.688 -3.700 1.00 0.00 C ATOM 577 CD GLU A 40 -12.306 1.872 -4.479 1.00 0.00 C ATOM 578 OE1 GLU A 40 -12.757 3.036 -4.643 1.00 0.00 O ATOM 579 OE2 GLU A 40 -12.906 0.860 -4.899 1.00 0.00 O ATOM 0 H GLU A 40 -11.993 1.296 0.146 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.906 0.303 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.784 2.522 -1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.286 1.636 -1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.323 2.512 -3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.508 0.772 -4.026 1.00 0.00 H new ATOM 586 N LEU A 41 -10.310 -1.158 -0.910 1.00 0.00 N ATOM 587 CA LEU A 41 -9.479 -2.362 -0.943 1.00 0.00 C ATOM 588 C LEU A 41 -10.398 -3.578 -1.087 1.00 0.00 C ATOM 589 O LEU A 41 -10.172 -4.447 -1.924 1.00 0.00 O ATOM 590 CB LEU A 41 -8.646 -2.495 0.338 1.00 0.00 C ATOM 591 CG LEU A 41 -7.397 -1.610 0.440 1.00 0.00 C ATOM 592 CD1 LEU A 41 -6.970 -1.596 1.908 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.228 -2.147 -0.382 1.00 0.00 C ATOM 0 H LEU A 41 -10.159 -0.571 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.790 -2.298 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.291 -2.273 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.335 -3.535 0.436 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.646 -0.620 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.082 -0.975 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.777 -1.191 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.746 -2.613 2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.371 -1.482 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.962 -3.143 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.515 -2.200 -1.432 1.00 0.00 H new ATOM 605 N ASN A 42 -11.471 -3.620 -0.290 1.00 0.00 N ATOM 606 CA ASN A 42 -12.463 -4.697 -0.308 1.00 0.00 C ATOM 607 C ASN A 42 -13.186 -4.793 -1.663 1.00 0.00 C ATOM 608 O ASN A 42 -13.789 -5.821 -1.973 1.00 0.00 O ATOM 609 CB ASN A 42 -13.504 -4.473 0.803 1.00 0.00 C ATOM 610 CG ASN A 42 -13.106 -5.085 2.137 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.618 -6.129 2.514 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.225 -4.444 2.887 1.00 0.00 N ATOM 0 H ASN A 42 -11.677 -2.894 0.396 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.928 -5.632 -0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.659 -3.402 0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.458 -4.896 0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.962 -4.820 3.798 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.809 -3.574 2.554 1.00 0.00 H new ATOM 619 N ARG A 43 -13.178 -3.728 -2.468 1.00 0.00 N ATOM 620 CA ARG A 43 -13.797 -3.634 -3.784 1.00 0.00 C ATOM 621 C ARG A 43 -12.832 -3.892 -4.936 1.00 0.00 C ATOM 622 O ARG A 43 -13.328 -4.041 -6.053 1.00 0.00 O ATOM 623 CB ARG A 43 -14.373 -2.211 -3.943 1.00 0.00 C ATOM 624 CG ARG A 43 -15.836 -2.155 -3.517 1.00 0.00 C ATOM 625 CD ARG A 43 -16.704 -2.676 -4.667 1.00 0.00 C ATOM 626 NE ARG A 43 -18.077 -2.961 -4.239 1.00 0.00 N ATOM 627 CZ ARG A 43 -19.151 -2.180 -4.380 1.00 0.00 C ATOM 628 NH1 ARG A 43 -19.078 -1.001 -4.986 1.00 0.00 N ATOM 629 NH2 ARG A 43 -20.313 -2.596 -3.897 1.00 0.00 N ATOM 0 H ARG A 43 -12.712 -2.861 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.565 -4.406 -3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.790 -1.511 -3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.282 -1.893 -4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -15.992 -2.758 -2.623 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -16.117 -1.132 -3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.721 -1.939 -5.470 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.257 -3.582 -5.076 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.229 -3.859 -3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.186 -0.673 -5.357 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.914 -0.424 -5.081 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -20.376 -3.499 -3.427 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -21.144 -2.013 -3.995 1.00 0.00 H new ATOM 643 N LYS A 44 -11.522 -3.997 -4.692 1.00 0.00 N ATOM 644 CA LYS A 44 -10.510 -4.199 -5.733 1.00 0.00 C ATOM 645 C LYS A 44 -9.521 -5.331 -5.456 1.00 0.00 C ATOM 646 O LYS A 44 -8.558 -5.476 -6.204 1.00 0.00 O ATOM 647 CB LYS A 44 -9.738 -2.877 -5.897 1.00 0.00 C ATOM 648 CG LYS A 44 -10.567 -1.624 -6.212 1.00 0.00 C ATOM 649 CD LYS A 44 -11.301 -1.724 -7.553 1.00 0.00 C ATOM 650 CE LYS A 44 -12.232 -0.527 -7.746 1.00 0.00 C ATOM 651 NZ LYS A 44 -12.653 -0.399 -9.153 1.00 0.00 N ATOM 0 H LYS A 44 -11.129 -3.943 -3.752 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.039 -4.494 -6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.181 -2.693 -4.978 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.005 -3.008 -6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.294 -1.464 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.912 -0.753 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.578 -1.764 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.876 -2.649 -7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.110 -0.640 -7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.725 0.385 -7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.553 0.120 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.926 0.119 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.777 -1.346 -9.566 1.00 0.00 H new ATOM 665 N LEU A 45 -9.698 -6.105 -4.387 1.00 0.00 N ATOM 666 CA LEU A 45 -8.821 -7.217 -4.023 1.00 0.00 C ATOM 667 C LEU A 45 -9.688 -8.395 -3.615 1.00 0.00 C ATOM 668 O LEU A 45 -10.912 -8.264 -3.492 1.00 0.00 O ATOM 669 CB LEU A 45 -7.906 -6.824 -2.852 1.00 0.00 C ATOM 670 CG LEU A 45 -6.868 -5.744 -3.190 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.223 -5.276 -1.887 1.00 0.00 C ATOM 672 CD2 LEU A 45 -5.818 -6.247 -4.188 1.00 0.00 C ATOM 0 H LEU A 45 -10.472 -5.974 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.194 -7.479 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.524 -6.470 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.384 -7.714 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.366 -4.906 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.481 -4.507 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.989 -4.866 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.738 -6.120 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.104 -5.450 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.292 -7.102 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.310 -6.547 -5.113 1.00 0.00 H new ATOM 684 N SER A 46 -9.080 -9.561 -3.429 1.00 0.00 N ATOM 685 CA SER A 46 -9.791 -10.756 -3.017 1.00 0.00 C ATOM 686 C SER A 46 -10.010 -10.692 -1.503 1.00 0.00 C ATOM 687 O SER A 46 -9.108 -10.291 -0.766 1.00 0.00 O ATOM 688 CB SER A 46 -9.006 -11.989 -3.473 1.00 0.00 C ATOM 689 OG SER A 46 -7.639 -11.958 -3.116 1.00 0.00 O ATOM 0 H SER A 46 -8.078 -9.700 -3.561 1.00 0.00 H new ATOM 0 HA SER A 46 -10.774 -10.825 -3.482 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.464 -12.880 -3.043 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.087 -12.080 -4.556 1.00 0.00 H new ATOM 0 HG SER A 46 -7.158 -11.349 -3.714 1.00 0.00 H new ATOM 695 N SER A 47 -11.166 -11.152 -1.017 1.00 0.00 N ATOM 696 CA SER A 47 -11.519 -11.139 0.404 1.00 0.00 C ATOM 697 C SER A 47 -10.470 -11.791 1.320 1.00 0.00 C ATOM 698 O SER A 47 -10.326 -11.362 2.468 1.00 0.00 O ATOM 699 CB SER A 47 -12.900 -11.779 0.582 1.00 0.00 C ATOM 700 OG SER A 47 -13.829 -11.156 -0.296 1.00 0.00 O ATOM 0 H SER A 47 -11.894 -11.550 -1.610 1.00 0.00 H new ATOM 0 HA SER A 47 -11.546 -10.096 0.721 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.847 -12.848 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.232 -11.672 1.615 1.00 0.00 H new ATOM 0 HG SER A 47 -14.712 -11.567 -0.183 1.00 0.00 H new ATOM 706 N ASN A 48 -9.729 -12.796 0.839 1.00 0.00 N ATOM 707 CA ASN A 48 -8.706 -13.443 1.659 1.00 0.00 C ATOM 708 C ASN A 48 -7.401 -12.647 1.618 1.00 0.00 C ATOM 709 O ASN A 48 -6.831 -12.376 2.673 1.00 0.00 O ATOM 710 CB ASN A 48 -8.480 -14.896 1.233 1.00 0.00 C ATOM 711 CG ASN A 48 -7.625 -15.625 2.258 1.00 0.00 C ATOM 712 OD1 ASN A 48 -6.469 -15.949 2.002 1.00 0.00 O ATOM 713 ND2 ASN A 48 -8.188 -15.921 3.414 1.00 0.00 N ATOM 0 H ASN A 48 -9.819 -13.174 -0.104 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.064 -13.460 2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.439 -15.403 1.124 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.993 -14.924 0.258 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.661 -16.432 4.122 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.151 -15.639 3.600 1.00 0.00 H new ATOM 720 N ALA A 49 -6.933 -12.229 0.431 1.00 0.00 N ATOM 721 CA ALA A 49 -5.695 -11.456 0.311 1.00 0.00 C ATOM 722 C ALA A 49 -5.820 -10.135 1.066 1.00 0.00 C ATOM 723 O ALA A 49 -4.906 -9.737 1.782 1.00 0.00 O ATOM 724 CB ALA A 49 -5.355 -11.169 -1.155 1.00 0.00 C ATOM 0 H ALA A 49 -7.397 -12.416 -0.458 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.892 -12.053 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.431 -10.594 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.228 -12.110 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.164 -10.599 -1.611 1.00 0.00 H new ATOM 730 N VAL A 50 -6.974 -9.470 0.957 1.00 0.00 N ATOM 731 CA VAL A 50 -7.226 -8.203 1.628 1.00 0.00 C ATOM 732 C VAL A 50 -7.183 -8.372 3.160 1.00 0.00 C ATOM 733 O VAL A 50 -7.009 -7.396 3.888 1.00 0.00 O ATOM 734 CB VAL A 50 -8.509 -7.574 1.044 1.00 0.00 C ATOM 735 CG1 VAL A 50 -9.813 -8.104 1.631 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.523 -6.053 1.152 1.00 0.00 C ATOM 0 H VAL A 50 -7.759 -9.802 0.397 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.432 -7.482 1.434 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.468 -7.878 -0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.656 -7.601 1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.883 -9.177 1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.833 -7.913 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.449 -5.666 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.457 -5.762 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.673 -5.642 0.607 1.00 0.00 H new ATOM 746 N SER A 51 -7.344 -9.596 3.676 1.00 0.00 N ATOM 747 CA SER A 51 -7.281 -9.877 5.108 1.00 0.00 C ATOM 748 C SER A 51 -5.824 -9.874 5.587 1.00 0.00 C ATOM 749 O SER A 51 -5.560 -9.540 6.742 1.00 0.00 O ATOM 750 CB SER A 51 -7.917 -11.240 5.405 1.00 0.00 C ATOM 751 OG SER A 51 -8.143 -11.397 6.796 1.00 0.00 O ATOM 0 H SER A 51 -7.523 -10.422 3.105 1.00 0.00 H new ATOM 0 HA SER A 51 -7.831 -9.100 5.639 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.860 -11.332 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.266 -12.037 5.045 1.00 0.00 H new ATOM 0 HG SER A 51 -8.551 -12.272 6.964 1.00 0.00 H new ATOM 757 N GLN A 52 -4.866 -10.241 4.730 1.00 0.00 N ATOM 758 CA GLN A 52 -3.442 -10.298 5.067 1.00 0.00 C ATOM 759 C GLN A 52 -2.878 -8.911 5.404 1.00 0.00 C ATOM 760 O GLN A 52 -1.821 -8.812 6.027 1.00 0.00 O ATOM 761 CB GLN A 52 -2.660 -10.919 3.901 1.00 0.00 C ATOM 762 CG GLN A 52 -3.177 -12.295 3.436 1.00 0.00 C ATOM 763 CD GLN A 52 -2.365 -13.469 3.979 1.00 0.00 C ATOM 764 OE1 GLN A 52 -2.145 -13.595 5.189 1.00 0.00 O ATOM 765 NE2 GLN A 52 -1.935 -14.358 3.103 1.00 0.00 N ATOM 0 H GLN A 52 -5.063 -10.511 3.766 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.332 -10.919 5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.688 -10.231 3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.615 -11.020 4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.216 -12.408 3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.165 -12.329 2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.130 -14.231 2.110 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.408 -15.172 3.419 1.00 0.00 H new ATOM 774 N ILE A 53 -3.572 -7.851 4.978 1.00 0.00 N ATOM 775 CA ILE A 53 -3.223 -6.461 5.206 1.00 0.00 C ATOM 776 C ILE A 53 -3.269 -6.238 6.718 1.00 0.00 C ATOM 777 O ILE A 53 -4.346 -6.287 7.322 1.00 0.00 O ATOM 778 CB ILE A 53 -4.203 -5.556 4.421 1.00 0.00 C ATOM 779 CG1 ILE A 53 -4.014 -5.758 2.898 1.00 0.00 C ATOM 780 CG2 ILE A 53 -4.017 -4.083 4.802 1.00 0.00 C ATOM 781 CD1 ILE A 53 -5.026 -4.990 2.043 1.00 0.00 C ATOM 0 H ILE A 53 -4.432 -7.953 4.440 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.225 -6.210 4.847 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.221 -5.841 4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.007 -5.445 2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.092 -6.821 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.718 -3.469 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.204 -3.957 5.868 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.997 -3.774 4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.830 -5.181 0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.035 -5.319 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.934 -3.922 2.242 1.00 0.00 H new ATOM 793 N THR A 54 -2.116 -5.989 7.331 1.00 0.00 N ATOM 794 CA THR A 54 -1.966 -5.760 8.763 1.00 0.00 C ATOM 795 C THR A 54 -1.285 -4.405 8.984 1.00 0.00 C ATOM 796 O THR A 54 -0.842 -3.761 8.029 1.00 0.00 O ATOM 797 CB THR A 54 -1.244 -6.985 9.367 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.304 -7.020 10.774 1.00 0.00 O ATOM 799 CG2 THR A 54 0.227 -7.145 8.982 1.00 0.00 C ATOM 0 H THR A 54 -1.231 -5.940 6.827 1.00 0.00 H new ATOM 0 HA THR A 54 -2.918 -5.683 9.289 1.00 0.00 H new ATOM 0 HB THR A 54 -1.805 -7.808 8.925 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.834 -7.815 11.102 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.634 -8.036 9.461 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.311 -7.245 7.900 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.786 -6.269 9.310 1.00 0.00 H new ATOM 807 N ARG A 55 -1.222 -3.943 10.239 1.00 0.00 N ATOM 808 CA ARG A 55 -0.602 -2.675 10.646 1.00 0.00 C ATOM 809 C ARG A 55 -1.030 -1.470 9.793 1.00 0.00 C ATOM 810 O ARG A 55 -0.230 -0.558 9.578 1.00 0.00 O ATOM 811 CB ARG A 55 0.925 -2.874 10.647 1.00 0.00 C ATOM 812 CG ARG A 55 1.379 -3.898 11.689 1.00 0.00 C ATOM 813 CD ARG A 55 2.898 -4.036 11.645 1.00 0.00 C ATOM 814 NE ARG A 55 3.328 -5.108 12.540 1.00 0.00 N ATOM 815 CZ ARG A 55 4.580 -5.453 12.825 1.00 0.00 C ATOM 816 NH1 ARG A 55 5.629 -4.926 12.200 1.00 0.00 N ATOM 817 NH2 ARG A 55 4.775 -6.344 13.778 1.00 0.00 N ATOM 0 H ARG A 55 -1.615 -4.459 11.026 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.953 -2.424 11.647 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.247 -3.199 9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.413 -1.919 10.843 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.061 -3.585 12.683 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.911 -4.863 11.494 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.223 -4.249 10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.366 -3.096 11.939 1.00 0.00 H new ATOM 0 HE ARG A 55 2.591 -5.648 12.993 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.490 -4.228 11.470 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.573 -5.220 12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.978 -6.746 14.271 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.723 -6.631 14.022 1.00 0.00 H new ATOM 831 N MET A 56 -2.264 -1.441 9.288 1.00 0.00 N ATOM 832 CA MET A 56 -2.736 -0.342 8.456 1.00 0.00 C ATOM 833 C MET A 56 -2.789 0.968 9.238 1.00 0.00 C ATOM 834 O MET A 56 -3.468 1.032 10.266 1.00 0.00 O ATOM 835 CB MET A 56 -4.073 -0.705 7.814 1.00 0.00 C ATOM 836 CG MET A 56 -4.527 0.359 6.822 1.00 0.00 C ATOM 837 SD MET A 56 -6.287 0.212 6.482 1.00 0.00 S ATOM 838 CE MET A 56 -6.178 -0.779 4.985 1.00 0.00 C ATOM 0 H MET A 56 -2.956 -2.173 9.444 1.00 0.00 H new ATOM 0 HA MET A 56 -2.022 -0.179 7.649 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.984 -1.664 7.304 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.829 -0.826 8.590 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.311 1.350 7.222 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.964 0.260 5.894 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.141 -0.775 4.475 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.417 -0.361 4.326 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.910 -1.803 5.245 1.00 0.00 H new ATOM 848 N CYS A 57 -2.014 1.953 8.781 1.00 0.00 N ATOM 849 CA CYS A 57 -1.886 3.296 9.324 1.00 0.00 C ATOM 850 C CYS A 57 -2.074 4.363 8.234 1.00 0.00 C ATOM 851 O CYS A 57 -1.981 4.070 7.039 1.00 0.00 O ATOM 852 CB CYS A 57 -0.505 3.420 9.979 1.00 0.00 C ATOM 853 SG CYS A 57 -0.446 2.438 11.509 1.00 0.00 S ATOM 0 H CYS A 57 -1.419 1.818 7.963 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.667 3.464 10.066 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.265 3.077 9.288 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.292 4.466 10.201 1.00 0.00 H new ATOM 0 HG CYS A 57 -0.360 1.175 11.211 1.00 0.00 H new ATOM 859 N LEU A 58 -2.305 5.612 8.646 1.00 0.00 N ATOM 860 CA LEU A 58 -2.482 6.763 7.759 1.00 0.00 C ATOM 861 C LEU A 58 -1.126 7.422 7.496 1.00 0.00 C ATOM 862 O LEU A 58 -0.217 7.333 8.332 1.00 0.00 O ATOM 863 CB LEU A 58 -3.357 7.829 8.446 1.00 0.00 C ATOM 864 CG LEU A 58 -4.840 7.495 8.647 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.530 8.660 9.366 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.520 7.262 7.303 1.00 0.00 C ATOM 0 H LEU A 58 -2.376 5.857 9.634 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.942 6.410 6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.924 8.043 9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.294 8.746 7.861 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.918 6.587 9.245 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.585 8.425 9.510 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.058 8.820 10.335 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.439 9.564 8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.572 7.026 7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.439 8.162 6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.036 6.431 6.790 1.00 0.00 H new ATOM 878 N LEU A 59 -0.992 8.108 6.355 1.00 0.00 N ATOM 879 CA LEU A 59 0.233 8.821 5.994 1.00 0.00 C ATOM 880 C LEU A 59 0.037 10.304 6.303 1.00 0.00 C ATOM 881 O LEU A 59 -1.084 10.784 6.490 1.00 0.00 O ATOM 882 CB LEU A 59 0.631 8.615 4.523 1.00 0.00 C ATOM 883 CG LEU A 59 1.060 7.180 4.177 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.274 7.046 2.667 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.350 6.778 4.906 1.00 0.00 C ATOM 0 H LEU A 59 -1.732 8.183 5.657 1.00 0.00 H new ATOM 0 HA LEU A 59 1.055 8.415 6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.211 8.892 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.449 9.294 4.282 1.00 0.00 H new ATOM 0 HG LEU A 59 0.261 6.514 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.578 6.026 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.345 7.277 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.052 7.739 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.619 5.757 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.156 7.454 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.193 6.837 5.983 1.00 0.00 H new ATOM 897 N LYS A 60 1.151 11.035 6.326 1.00 0.00 N ATOM 898 CA LYS A 60 1.195 12.461 6.613 1.00 0.00 C ATOM 899 C LYS A 60 0.306 13.255 5.668 1.00 0.00 C ATOM 900 O LYS A 60 0.289 12.991 4.460 1.00 0.00 O ATOM 901 CB LYS A 60 2.643 12.941 6.455 1.00 0.00 C ATOM 902 CG LYS A 60 2.900 14.321 7.088 1.00 0.00 C ATOM 903 CD LYS A 60 3.118 14.241 8.605 1.00 0.00 C ATOM 904 CE LYS A 60 4.603 14.119 8.974 1.00 0.00 C ATOM 905 NZ LYS A 60 5.291 12.956 8.371 1.00 0.00 N ATOM 0 H LYS A 60 2.071 10.637 6.140 1.00 0.00 H new ATOM 0 HA LYS A 60 0.832 12.621 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.312 12.210 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.891 12.984 5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.775 14.773 6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.054 14.976 6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.700 15.130 9.077 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.575 13.384 9.003 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.117 15.029 8.666 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.691 14.055 10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.283 12.939 8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.818 12.079 8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.256 13.031 7.334 1.00 0.00 H new ATOM 919 N GLY A 61 -0.363 14.272 6.207 1.00 0.00 N ATOM 920 CA GLY A 61 -1.242 15.161 5.470 1.00 0.00 C ATOM 921 C GLY A 61 -2.408 14.445 4.806 1.00 0.00 C ATOM 922 O GLY A 61 -2.955 14.974 3.841 1.00 0.00 O ATOM 0 H GLY A 61 -0.303 14.502 7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.631 15.920 6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.663 15.682 4.707 1.00 0.00 H new ATOM 926 N ASN A 62 -2.744 13.237 5.276 1.00 0.00 N ATOM 927 CA ASN A 62 -3.815 12.374 4.787 1.00 0.00 C ATOM 928 C ASN A 62 -3.751 12.086 3.284 1.00 0.00 C ATOM 929 O ASN A 62 -4.708 11.543 2.729 1.00 0.00 O ATOM 930 CB ASN A 62 -5.191 12.907 5.238 1.00 0.00 C ATOM 931 CG ASN A 62 -5.505 12.613 6.696 1.00 0.00 C ATOM 932 OD1 ASN A 62 -4.942 11.715 7.318 1.00 0.00 O ATOM 933 ND2 ASN A 62 -6.449 13.326 7.275 1.00 0.00 N ATOM 0 H ASN A 62 -2.241 12.814 6.056 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.663 11.398 5.248 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.225 13.984 5.077 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.966 12.466 4.611 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.714 13.133 8.241 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.915 14.071 6.757 1.00 0.00 H new ATOM 940 N MET A 63 -2.627 12.366 2.623 1.00 0.00 N ATOM 941 CA MET A 63 -2.390 12.170 1.195 1.00 0.00 C ATOM 942 C MET A 63 -2.104 10.705 0.810 1.00 0.00 C ATOM 943 O MET A 63 -1.515 10.449 -0.242 1.00 0.00 O ATOM 944 CB MET A 63 -1.282 13.148 0.746 1.00 0.00 C ATOM 945 CG MET A 63 -1.846 14.488 0.263 1.00 0.00 C ATOM 946 SD MET A 63 -2.121 14.589 -1.531 1.00 0.00 S ATOM 947 CE MET A 63 -3.576 13.535 -1.767 1.00 0.00 C ATOM 0 H MET A 63 -1.813 12.757 3.098 1.00 0.00 H new ATOM 0 HA MET A 63 -3.308 12.397 0.653 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.598 13.323 1.576 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.701 12.691 -0.055 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.791 14.675 0.773 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.161 15.283 0.558 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.034 13.757 -2.731 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.275 12.488 -1.741 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.296 13.725 -0.971 1.00 0.00 H new ATOM 957 N GLY A 64 -2.476 9.731 1.639 1.00 0.00 N ATOM 958 CA GLY A 64 -2.275 8.316 1.365 1.00 0.00 C ATOM 959 C GLY A 64 -2.335 7.499 2.645 1.00 0.00 C ATOM 960 O GLY A 64 -2.635 8.035 3.720 1.00 0.00 O ATOM 0 H GLY A 64 -2.933 9.910 2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.037 7.965 0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.310 8.169 0.881 1.00 0.00 H new ATOM 964 N VAL A 65 -2.079 6.197 2.525 1.00 0.00 N ATOM 965 CA VAL A 65 -2.100 5.234 3.623 1.00 0.00 C ATOM 966 C VAL A 65 -0.995 4.185 3.425 1.00 0.00 C ATOM 967 O VAL A 65 -0.437 4.066 2.328 1.00 0.00 O ATOM 968 CB VAL A 65 -3.503 4.599 3.729 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.591 5.638 4.041 1.00 0.00 C ATOM 970 CG2 VAL A 65 -3.907 3.855 2.448 1.00 0.00 C ATOM 0 H VAL A 65 -1.843 5.770 1.629 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.896 5.739 4.567 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.430 3.889 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.560 5.142 4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.368 6.124 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.618 6.386 3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.901 3.427 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.916 4.552 1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.191 3.057 2.249 1.00 0.00 H new ATOM 980 N CYS A 66 -0.682 3.417 4.470 1.00 0.00 N ATOM 981 CA CYS A 66 0.346 2.382 4.459 1.00 0.00 C ATOM 982 C CYS A 66 -0.086 1.166 5.275 1.00 0.00 C ATOM 983 O CYS A 66 -0.921 1.298 6.169 1.00 0.00 O ATOM 984 CB CYS A 66 1.645 2.956 5.033 1.00 0.00 C ATOM 985 SG CYS A 66 1.374 3.746 6.654 1.00 0.00 S ATOM 0 H CYS A 66 -1.152 3.503 5.371 1.00 0.00 H new ATOM 0 HA CYS A 66 0.503 2.059 3.430 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.381 2.159 5.135 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.059 3.686 4.337 1.00 0.00 H new ATOM 0 HG CYS A 66 0.105 3.975 6.819 1.00 0.00 H new ATOM 991 N PHE A 67 0.490 -0.008 4.999 1.00 0.00 N ATOM 992 CA PHE A 67 0.197 -1.262 5.695 1.00 0.00 C ATOM 993 C PHE A 67 1.282 -2.302 5.391 1.00 0.00 C ATOM 994 O PHE A 67 2.135 -2.071 4.535 1.00 0.00 O ATOM 995 CB PHE A 67 -1.201 -1.780 5.317 1.00 0.00 C ATOM 996 CG PHE A 67 -1.533 -1.872 3.842 1.00 0.00 C ATOM 997 CD1 PHE A 67 -0.903 -2.834 3.031 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.562 -1.075 3.305 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.288 -2.989 1.689 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -2.937 -1.227 1.960 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.292 -2.171 1.155 1.00 0.00 C ATOM 0 H PHE A 67 1.191 -0.114 4.266 1.00 0.00 H new ATOM 0 HA PHE A 67 0.198 -1.077 6.769 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.322 -2.772 5.752 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.940 -1.132 5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.121 -3.455 3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.062 -0.347 3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.812 -3.736 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.724 -0.614 1.547 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.569 -2.270 0.116 1.00 0.00 H new ATOM 1011 N ASP A 68 1.248 -3.442 6.077 1.00 0.00 N ATOM 1012 CA ASP A 68 2.181 -4.566 5.955 1.00 0.00 C ATOM 1013 C ASP A 68 1.457 -5.737 5.287 1.00 0.00 C ATOM 1014 O ASP A 68 0.271 -5.940 5.565 1.00 0.00 O ATOM 1015 CB ASP A 68 2.590 -5.041 7.361 1.00 0.00 C ATOM 1016 CG ASP A 68 3.716 -4.270 8.041 1.00 0.00 C ATOM 1017 OD1 ASP A 68 3.654 -3.025 8.140 1.00 0.00 O ATOM 1018 OD2 ASP A 68 4.584 -4.938 8.652 1.00 0.00 O ATOM 0 H ASP A 68 0.526 -3.619 6.776 1.00 0.00 H new ATOM 0 HA ASP A 68 3.050 -4.250 5.378 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.711 -4.998 8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.886 -6.088 7.294 1.00 0.00 H new ATOM 1023 N VAL A 69 2.147 -6.528 4.455 1.00 0.00 N ATOM 1024 CA VAL A 69 1.599 -7.700 3.761 1.00 0.00 C ATOM 1025 C VAL A 69 2.698 -8.760 3.588 1.00 0.00 C ATOM 1026 O VAL A 69 3.884 -8.421 3.536 1.00 0.00 O ATOM 1027 CB VAL A 69 1.005 -7.344 2.373 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.262 -6.496 2.501 1.00 0.00 C ATOM 1029 CG2 VAL A 69 1.998 -6.668 1.420 1.00 0.00 C ATOM 0 H VAL A 69 3.131 -6.365 4.240 1.00 0.00 H new ATOM 0 HA VAL A 69 0.787 -8.089 4.376 1.00 0.00 H new ATOM 0 HB VAL A 69 0.751 -8.305 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.648 -6.267 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.014 -7.048 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.027 -5.568 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.504 -6.452 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.353 -5.738 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.844 -7.332 1.245 1.00 0.00 H new ATOM 1039 N PRO A 70 2.355 -10.054 3.501 1.00 0.00 N ATOM 1040 CA PRO A 70 3.352 -11.090 3.305 1.00 0.00 C ATOM 1041 C PRO A 70 3.817 -11.041 1.842 1.00 0.00 C ATOM 1042 O PRO A 70 3.017 -10.829 0.928 1.00 0.00 O ATOM 1043 CB PRO A 70 2.644 -12.396 3.650 1.00 0.00 C ATOM 1044 CG PRO A 70 1.188 -12.117 3.292 1.00 0.00 C ATOM 1045 CD PRO A 70 1.019 -10.624 3.565 1.00 0.00 C ATOM 0 HA PRO A 70 4.241 -10.974 3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.045 -13.233 3.078 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.757 -12.647 4.705 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.980 -12.358 2.249 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.507 -12.713 3.899 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.362 -10.164 2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.568 -10.454 4.543 1.00 0.00 H new ATOM 1053 N THR A 71 5.101 -11.306 1.611 1.00 0.00 N ATOM 1054 CA THR A 71 5.733 -11.306 0.290 1.00 0.00 C ATOM 1055 C THR A 71 5.008 -12.216 -0.713 1.00 0.00 C ATOM 1056 O THR A 71 4.937 -11.904 -1.901 1.00 0.00 O ATOM 1057 CB THR A 71 7.215 -11.703 0.427 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.363 -12.854 1.247 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.076 -10.585 1.017 1.00 0.00 C ATOM 0 H THR A 71 5.753 -11.534 2.362 1.00 0.00 H new ATOM 0 HA THR A 71 5.663 -10.295 -0.112 1.00 0.00 H new ATOM 0 HB THR A 71 7.557 -11.910 -0.587 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.313 -13.086 1.317 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.110 -10.922 1.090 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.025 -9.708 0.372 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.708 -10.327 2.010 1.00 0.00 H new ATOM 1067 N THR A 72 4.442 -13.333 -0.257 1.00 0.00 N ATOM 1068 CA THR A 72 3.729 -14.270 -1.110 1.00 0.00 C ATOM 1069 C THR A 72 2.462 -13.637 -1.697 1.00 0.00 C ATOM 1070 O THR A 72 2.136 -13.878 -2.863 1.00 0.00 O ATOM 1071 CB THR A 72 3.439 -15.540 -0.289 1.00 0.00 C ATOM 1072 OG1 THR A 72 2.967 -15.234 1.014 1.00 0.00 O ATOM 1073 CG2 THR A 72 4.720 -16.353 -0.093 1.00 0.00 C ATOM 0 H THR A 72 4.468 -13.611 0.724 1.00 0.00 H new ATOM 0 HA THR A 72 4.341 -14.541 -1.970 1.00 0.00 H new ATOM 0 HB THR A 72 2.685 -16.094 -0.847 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.793 -16.066 1.503 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.498 -17.247 0.489 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.119 -16.643 -1.065 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.457 -15.749 0.437 1.00 0.00 H new ATOM 1081 N GLU A 73 1.748 -12.829 -0.911 1.00 0.00 N ATOM 1082 CA GLU A 73 0.530 -12.163 -1.348 1.00 0.00 C ATOM 1083 C GLU A 73 0.863 -10.854 -2.077 1.00 0.00 C ATOM 1084 O GLU A 73 0.045 -10.392 -2.867 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.391 -11.933 -0.139 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.878 -11.899 -0.511 1.00 0.00 C ATOM 1087 CD GLU A 73 -2.491 -13.305 -0.580 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -2.866 -13.858 0.480 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -2.691 -13.853 -1.689 1.00 0.00 O ATOM 0 H GLU A 73 2.005 -12.620 0.054 1.00 0.00 H new ATOM 0 HA GLU A 73 0.001 -12.797 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.224 -12.724 0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.122 -10.992 0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.421 -11.303 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.998 -11.404 -1.475 1.00 0.00 H new ATOM 1096 N SER A 74 2.059 -10.279 -1.879 1.00 0.00 N ATOM 1097 CA SER A 74 2.502 -9.039 -2.519 1.00 0.00 C ATOM 1098 C SER A 74 2.309 -9.140 -4.041 1.00 0.00 C ATOM 1099 O SER A 74 1.752 -8.221 -4.648 1.00 0.00 O ATOM 1100 CB SER A 74 3.950 -8.727 -2.091 1.00 0.00 C ATOM 1101 OG SER A 74 4.454 -7.542 -2.674 1.00 0.00 O ATOM 0 H SER A 74 2.760 -10.676 -1.253 1.00 0.00 H new ATOM 0 HA SER A 74 1.895 -8.195 -2.192 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.991 -8.637 -1.005 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.593 -9.563 -2.366 1.00 0.00 H new ATOM 0 HG SER A 74 4.422 -7.619 -3.650 1.00 0.00 H new ATOM 1107 N GLU A 75 2.691 -10.262 -4.663 1.00 0.00 N ATOM 1108 CA GLU A 75 2.538 -10.473 -6.103 1.00 0.00 C ATOM 1109 C GLU A 75 1.058 -10.518 -6.500 1.00 0.00 C ATOM 1110 O GLU A 75 0.668 -9.981 -7.541 1.00 0.00 O ATOM 1111 CB GLU A 75 3.190 -11.802 -6.516 1.00 0.00 C ATOM 1112 CG GLU A 75 4.506 -11.621 -7.279 1.00 0.00 C ATOM 1113 CD GLU A 75 4.914 -12.943 -7.925 1.00 0.00 C ATOM 1114 OE1 GLU A 75 4.992 -13.970 -7.214 1.00 0.00 O ATOM 1115 OE2 GLU A 75 5.088 -13.006 -9.161 1.00 0.00 O ATOM 0 H GLU A 75 3.117 -11.051 -4.177 1.00 0.00 H new ATOM 0 HA GLU A 75 3.023 -9.639 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.375 -12.400 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.492 -12.363 -7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.391 -10.852 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.287 -11.281 -6.599 1.00 0.00 H new ATOM 1122 N ARG A 76 0.234 -11.199 -5.695 1.00 0.00 N ATOM 1123 CA ARG A 76 -1.193 -11.317 -5.963 1.00 0.00 C ATOM 1124 C ARG A 76 -1.832 -9.948 -5.936 1.00 0.00 C ATOM 1125 O ARG A 76 -2.615 -9.648 -6.830 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.908 -12.227 -4.951 1.00 0.00 C ATOM 1127 CG ARG A 76 -1.441 -13.683 -4.963 1.00 0.00 C ATOM 1128 CD ARG A 76 -1.524 -14.299 -6.364 1.00 0.00 C ATOM 1129 NE ARG A 76 -1.863 -15.721 -6.283 1.00 0.00 N ATOM 1130 CZ ARG A 76 -1.262 -16.753 -6.872 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -0.225 -16.587 -7.681 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -1.729 -17.969 -6.635 1.00 0.00 N ATOM 0 H ARG A 76 0.540 -11.678 -4.848 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.298 -11.770 -6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.762 -11.821 -3.950 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.979 -12.201 -5.152 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.414 -13.738 -4.603 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.052 -14.266 -4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.275 -13.774 -6.954 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.571 -14.176 -6.878 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.666 -15.952 -5.698 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.132 -15.650 -7.866 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.215 -17.396 -8.118 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.529 -18.096 -6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.289 -18.779 -7.072 1.00 0.00 H new ATOM 1146 N LEU A 77 -1.490 -9.132 -4.942 1.00 0.00 N ATOM 1147 CA LEU A 77 -2.001 -7.788 -4.751 1.00 0.00 C ATOM 1148 C LEU A 77 -1.620 -6.940 -5.953 1.00 0.00 C ATOM 1149 O LEU A 77 -2.480 -6.273 -6.519 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.394 -7.195 -3.467 1.00 0.00 C ATOM 1151 CG LEU A 77 -1.948 -7.808 -2.169 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.060 -7.416 -0.989 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.379 -7.332 -1.928 1.00 0.00 C ATOM 0 H LEU A 77 -0.822 -9.405 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.087 -7.806 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.313 -7.336 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.575 -6.120 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.953 -8.894 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.458 -7.853 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.048 -7.784 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.040 -6.330 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.759 -7.773 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.391 -6.245 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.009 -7.637 -2.763 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.348 -6.978 -6.363 1.00 0.00 N ATOM 1166 CA GLN A 78 0.156 -6.229 -7.511 1.00 0.00 C ATOM 1167 C GLN A 78 -0.695 -6.525 -8.752 1.00 0.00 C ATOM 1168 O GLN A 78 -1.018 -5.605 -9.511 1.00 0.00 O ATOM 1169 CB GLN A 78 1.637 -6.588 -7.745 1.00 0.00 C ATOM 1170 CG GLN A 78 2.572 -5.830 -6.791 1.00 0.00 C ATOM 1171 CD GLN A 78 3.951 -6.486 -6.688 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.266 -7.086 -5.557 1.00 0.00 O flip ATOM 1173 NE2 GLN A 78 4.763 -6.459 -7.609 1.00 0.00 N flip ATOM 0 H GLN A 78 0.367 -7.538 -5.899 1.00 0.00 H new ATOM 0 HA GLN A 78 0.087 -5.160 -7.312 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.775 -7.661 -7.611 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.907 -6.358 -8.776 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.686 -4.803 -7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.119 -5.785 -5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.524 -5.996 -8.486 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.676 -6.899 -7.497 1.00 0.00 H new ATOM 1182 N ALA A 79 -1.071 -7.792 -8.952 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.872 -8.216 -10.091 1.00 0.00 C ATOM 1184 C ALA A 79 -3.381 -7.986 -9.922 1.00 0.00 C ATOM 1185 O ALA A 79 -4.054 -7.734 -10.920 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.574 -9.688 -10.379 1.00 0.00 C ATOM 0 H ALA A 79 -0.823 -8.553 -8.320 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.587 -7.590 -10.936 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.168 -10.020 -11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.515 -9.807 -10.607 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.827 -10.288 -9.505 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.930 -8.092 -8.711 1.00 0.00 N ATOM 1193 CA GLU A 80 -5.356 -7.897 -8.428 1.00 0.00 C ATOM 1194 C GLU A 80 -5.719 -6.411 -8.473 1.00 0.00 C ATOM 1195 O GLU A 80 -6.815 -6.054 -8.899 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.718 -8.494 -7.044 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.874 -10.017 -7.131 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.154 -10.762 -5.813 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -6.674 -10.193 -4.824 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -5.912 -11.993 -5.793 1.00 0.00 O ATOM 0 H GLU A 80 -3.385 -8.321 -7.880 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.930 -8.416 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.941 -8.244 -6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.645 -8.049 -6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.686 -10.236 -7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.963 -10.428 -7.567 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.794 -5.536 -8.074 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.999 -4.101 -8.042 1.00 0.00 C ATOM 1209 C TRP A 81 -5.123 -3.484 -9.439 1.00 0.00 C ATOM 1210 O TRP A 81 -4.132 -3.039 -10.024 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.876 -3.437 -7.243 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.244 -2.062 -6.802 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.849 -0.888 -7.338 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.187 -1.726 -5.759 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.461 0.147 -6.658 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.312 -0.314 -5.672 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.988 -2.506 -4.914 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.179 0.296 -4.750 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.884 -1.911 -4.020 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -6.979 -0.512 -3.922 1.00 0.00 C ATOM 0 H TRP A 81 -3.866 -5.819 -7.759 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.953 -3.917 -7.548 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.642 -4.047 -6.371 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.974 -3.393 -7.853 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -3.164 -0.776 -8.166 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.303 1.134 -6.860 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.912 -3.583 -4.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.231 1.372 -4.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.510 -2.533 -3.398 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.661 -0.061 -3.216 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.341 -3.387 -9.963 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.631 -2.800 -11.268 1.00 0.00 C ATOM 1233 C HIS A 82 -7.982 -2.088 -11.205 1.00 0.00 C ATOM 1234 O HIS A 82 -8.743 -2.294 -10.254 1.00 0.00 O ATOM 1235 CB HIS A 82 -6.623 -3.889 -12.357 1.00 0.00 C ATOM 1236 CG HIS A 82 -5.699 -3.551 -13.498 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -4.325 -3.625 -13.458 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -6.056 -3.072 -14.729 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -3.859 -3.186 -14.635 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -4.876 -2.841 -15.451 1.00 0.00 N ATOM 0 H HIS A 82 -7.175 -3.723 -9.480 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.862 -2.072 -11.526 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.319 -4.838 -11.916 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.635 -4.024 -12.740 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.063 -2.903 -15.081 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -2.813 -3.118 -14.895 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.802 -2.483 -16.403 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.293 -1.283 -12.221 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.539 -0.524 -12.365 1.00 0.00 C ATOM 1250 C ASP A 83 -9.731 0.567 -11.299 1.00 0.00 C ATOM 1251 O ASP A 83 -10.864 0.871 -10.911 1.00 0.00 O ATOM 1252 CB ASP A 83 -10.748 -1.467 -12.599 1.00 0.00 C ATOM 1253 CG ASP A 83 -11.216 -1.409 -14.052 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -12.015 -0.518 -14.415 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -10.719 -2.211 -14.877 1.00 0.00 O ATOM 0 H ASP A 83 -7.655 -1.134 -13.003 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.461 0.068 -13.277 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.471 -2.490 -12.343 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.567 -1.184 -11.938 1.00 0.00 H new ATOM 1260 N SER A 84 -8.644 1.173 -10.795 1.00 0.00 N ATOM 1261 CA SER A 84 -8.711 2.243 -9.797 1.00 0.00 C ATOM 1262 C SER A 84 -7.642 3.293 -10.063 1.00 0.00 C ATOM 1263 O SER A 84 -6.560 2.993 -10.572 1.00 0.00 O ATOM 1264 CB SER A 84 -8.581 1.698 -8.371 1.00 0.00 C ATOM 1265 OG SER A 84 -9.451 0.619 -8.198 1.00 0.00 O ATOM 0 H SER A 84 -7.693 0.931 -11.072 1.00 0.00 H new ATOM 0 HA SER A 84 -9.692 2.710 -9.885 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.554 1.383 -8.184 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.811 2.482 -7.649 1.00 0.00 H new ATOM 0 HG SER A 84 -8.934 -0.210 -8.125 1.00 0.00 H new ATOM 1271 N ASP A 85 -7.941 4.521 -9.649 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.094 5.706 -9.798 1.00 0.00 C ATOM 1273 C ASP A 85 -5.924 5.717 -8.814 1.00 0.00 C ATOM 1274 O ASP A 85 -4.982 6.488 -8.976 1.00 0.00 O ATOM 1275 CB ASP A 85 -7.934 6.961 -9.535 1.00 0.00 C ATOM 1276 CG ASP A 85 -9.240 6.985 -10.319 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -9.197 6.908 -11.569 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -10.303 6.983 -9.661 1.00 0.00 O ATOM 0 H ASP A 85 -8.821 4.729 -9.178 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.695 5.688 -10.812 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.156 7.025 -8.470 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.347 7.843 -9.792 1.00 0.00 H new ATOM 1283 N TRP A 86 -6.033 4.905 -7.766 1.00 0.00 N ATOM 1284 CA TRP A 86 -5.086 4.725 -6.680 1.00 0.00 C ATOM 1285 C TRP A 86 -3.890 3.908 -7.186 1.00 0.00 C ATOM 1286 O TRP A 86 -4.078 2.759 -7.587 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.855 4.016 -5.553 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.838 4.859 -4.786 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -8.076 5.211 -5.206 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.708 5.428 -3.446 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.715 5.941 -4.226 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -7.933 6.068 -3.101 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -5.690 5.452 -2.472 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.157 6.633 -1.835 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -5.893 6.019 -1.201 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -7.138 6.581 -0.873 1.00 0.00 C ATOM 0 H TRP A 86 -6.853 4.310 -7.649 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.683 5.666 -6.307 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -6.392 3.171 -5.984 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -5.131 3.608 -4.848 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.500 4.958 -6.166 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.650 6.337 -4.323 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.727 5.023 -2.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.102 7.102 -1.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.092 6.022 -0.477 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -7.310 6.972 0.119 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.685 4.485 -7.207 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.464 3.826 -7.669 1.00 0.00 C ATOM 1309 C ILE A 87 -0.894 2.980 -6.521 1.00 0.00 C ATOM 1310 O ILE A 87 -0.767 3.481 -5.398 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.434 4.870 -8.174 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -1.031 5.926 -9.140 1.00 0.00 C ATOM 1313 CG2 ILE A 87 0.700 4.128 -8.902 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -1.510 7.204 -8.436 1.00 0.00 C ATOM 0 H ILE A 87 -2.530 5.444 -6.896 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.692 3.172 -8.511 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.079 5.410 -7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.280 6.191 -9.884 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.869 5.482 -9.677 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.433 4.849 -9.264 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.182 3.435 -8.213 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.289 3.574 -9.746 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.915 7.896 -9.174 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.285 6.952 -7.712 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.671 7.672 -7.922 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.551 1.713 -6.779 1.00 0.00 N ATOM 1327 CA LEU A 88 -0.001 0.783 -5.791 1.00 0.00 C ATOM 1328 C LEU A 88 1.512 0.650 -5.966 1.00 0.00 C ATOM 1329 O LEU A 88 1.988 0.416 -7.081 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.680 -0.589 -5.984 1.00 0.00 C ATOM 1331 CG LEU A 88 -0.190 -1.720 -5.060 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.587 -1.444 -3.616 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.811 -3.060 -5.462 1.00 0.00 C ATOM 0 H LEU A 88 -0.651 1.297 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.192 1.158 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.753 -0.465 -5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.534 -0.902 -7.018 1.00 0.00 H new ATOM 0 HG LEU A 88 0.895 -1.764 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.232 -2.254 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.142 -0.504 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.672 -1.375 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.450 -3.843 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.897 -2.994 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.529 -3.298 -6.488 1.00 0.00 H new ATOM 1345 N SER A 89 2.289 0.854 -4.900 1.00 0.00 N ATOM 1346 CA SER A 89 3.740 0.701 -4.940 1.00 0.00 C ATOM 1347 C SER A 89 4.208 0.001 -3.658 1.00 0.00 C ATOM 1348 O SER A 89 3.527 0.055 -2.629 1.00 0.00 O ATOM 1349 CB SER A 89 4.459 2.023 -5.257 1.00 0.00 C ATOM 1350 OG SER A 89 4.090 3.111 -4.424 1.00 0.00 O ATOM 0 H SER A 89 1.928 1.130 -3.987 1.00 0.00 H new ATOM 0 HA SER A 89 4.021 0.057 -5.773 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.534 1.866 -5.172 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.257 2.292 -6.294 1.00 0.00 H new ATOM 0 HG SER A 89 4.591 3.910 -4.689 1.00 0.00 H new ATOM 1356 N VAL A 90 5.371 -0.651 -3.722 1.00 0.00 N ATOM 1357 CA VAL A 90 5.971 -1.381 -2.614 1.00 0.00 C ATOM 1358 C VAL A 90 7.361 -0.787 -2.340 1.00 0.00 C ATOM 1359 O VAL A 90 8.363 -1.274 -2.872 1.00 0.00 O ATOM 1360 CB VAL A 90 5.921 -2.904 -2.902 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.476 -3.373 -4.258 1.00 0.00 C ATOM 1362 CG2 VAL A 90 6.574 -3.726 -1.794 1.00 0.00 C ATOM 0 H VAL A 90 5.934 -0.684 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 90 5.414 -1.267 -1.684 1.00 0.00 H new ATOM 0 HB VAL A 90 4.847 -3.085 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.383 -4.456 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.913 -2.903 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.526 -3.093 -4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.513 -4.785 -2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.620 -3.436 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.056 -3.544 -0.852 1.00 0.00 H new ATOM 1372 N PRO A 91 7.457 0.287 -1.542 1.00 0.00 N ATOM 1373 CA PRO A 91 8.743 0.878 -1.229 1.00 0.00 C ATOM 1374 C PRO A 91 9.478 -0.005 -0.225 1.00 0.00 C ATOM 1375 O PRO A 91 8.888 -0.544 0.712 1.00 0.00 O ATOM 1376 CB PRO A 91 8.449 2.251 -0.634 1.00 0.00 C ATOM 1377 CG PRO A 91 7.064 2.078 -0.021 1.00 0.00 C ATOM 1378 CD PRO A 91 6.386 0.991 -0.859 1.00 0.00 C ATOM 0 HA PRO A 91 9.377 0.969 -2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.189 2.531 0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.457 3.030 -1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.131 1.783 1.026 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.500 3.010 -0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.813 0.312 -0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 91 5.688 1.427 -1.573 1.00 0.00 H new