USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 576 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 89 HIS : no HD1:sc= -3.25! C(o=-3.6!,f=-3.7!) USER MOD Set 1.2: A 93 SER OG : rot -162:sc= -0.315 USER MOD Set 2.1: A 49 SER OG : rot 123:sc= 1.65 USER MOD Set 2.2: A 51 SER OG : rot 170:sc= 1.02 USER MOD Set 2.3: A 76 MET CE :methyl 178:sc= 0 (180deg=-0.00724) USER MOD Set 3.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -1.37 K(o=-1.4,f=-5.7!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -157:sc= -4.21! (180deg=-6.15!) USER MOD Single : A 44 SER OG : rot 9:sc= 0.407 USER MOD Single : A 46 HIS : no HD1:sc= -7.36! C(o=-7.4!,f=-17!) USER MOD Single : A 55 THR OG1 : rot -52:sc= -0.607 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.46 K(o=-1.5,f=-3.8) USER MOD Single : A 66 SER OG : rot 72:sc= 0.558 USER MOD Single : A 67 HIS : no HD1:sc= -0.321 K(o=-0.32,f=-1.5) USER MOD Single : A 68 CYS SG : rot 180:sc= -1.33 USER MOD Single : A 74 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.4!) USER MOD Single : A 79 HIS : no HD1:sc= -5.55! C(o=-5.5!,f=-5.7!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.212 K(o=-0.21,f=1.2) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 311 N ALA A 23 -3.755 -1.893 -11.055 1.00 0.00 N ATOM 312 CA ALA A 23 -4.700 -1.131 -10.248 1.00 0.00 C ATOM 313 C ALA A 23 -5.905 -0.698 -11.077 1.00 0.00 C ATOM 314 O ALA A 23 -5.782 0.116 -11.993 1.00 0.00 O ATOM 315 CB ALA A 23 -4.015 0.082 -9.636 1.00 0.00 C ATOM 0 HA ALA A 23 -5.056 -1.776 -9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.733 0.641 -9.036 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.191 -0.247 -9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.630 0.721 -10.430 1.00 0.00 H new ATOM 321 N THR A 24 -7.071 -1.249 -10.751 1.00 0.00 N ATOM 322 CA THR A 24 -8.297 -0.921 -11.467 1.00 0.00 C ATOM 323 C THR A 24 -9.211 -0.044 -10.619 1.00 0.00 C ATOM 324 O THR A 24 -9.359 -0.264 -9.417 1.00 0.00 O ATOM 325 CB THR A 24 -9.063 -2.192 -11.880 1.00 0.00 C ATOM 326 OG1 THR A 24 -8.144 -3.266 -12.107 1.00 0.00 O ATOM 327 CG2 THR A 24 -9.883 -1.945 -13.137 1.00 0.00 C ATOM 0 H THR A 24 -7.191 -1.924 -9.996 1.00 0.00 H new ATOM 0 HA THR A 24 -8.003 -0.375 -12.363 1.00 0.00 H new ATOM 0 HB THR A 24 -9.741 -2.460 -11.070 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.639 -4.071 -12.367 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.415 -2.857 -13.409 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.602 -1.147 -12.951 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.221 -1.654 -13.952 1.00 0.00 H new ATOM 335 N VAL A 25 -9.823 0.952 -11.252 1.00 0.00 N ATOM 336 CA VAL A 25 -10.724 1.862 -10.555 1.00 0.00 C ATOM 337 C VAL A 25 -12.162 1.359 -10.609 1.00 0.00 C ATOM 338 O VAL A 25 -12.707 1.119 -11.686 1.00 0.00 O ATOM 339 CB VAL A 25 -10.664 3.279 -11.155 1.00 0.00 C ATOM 340 CG1 VAL A 25 -11.112 3.263 -12.609 1.00 0.00 C ATOM 341 CG2 VAL A 25 -11.515 4.240 -10.337 1.00 0.00 C ATOM 0 H VAL A 25 -9.711 1.149 -12.247 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.395 1.901 -9.517 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.631 3.625 -11.122 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.063 4.273 -13.016 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.458 2.608 -13.184 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.137 2.897 -12.670 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.461 5.237 -10.775 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.550 3.899 -10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.144 4.273 -9.313 1.00 0.00 H new ATOM 351 N GLY A 26 -12.773 1.202 -9.439 1.00 0.00 N ATOM 352 CA GLY A 26 -14.143 0.729 -9.374 1.00 0.00 C ATOM 353 C GLY A 26 -14.239 -0.782 -9.444 1.00 0.00 C ATOM 354 O GLY A 26 -15.283 -1.329 -9.796 1.00 0.00 O ATOM 0 H GLY A 26 -12.343 1.394 -8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.600 1.076 -8.448 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.714 1.165 -10.194 1.00 0.00 H new ATOM 358 N SER A 27 -13.145 -1.458 -9.108 1.00 0.00 N ATOM 359 CA SER A 27 -13.108 -2.916 -9.139 1.00 0.00 C ATOM 360 C SER A 27 -12.305 -3.464 -7.963 1.00 0.00 C ATOM 361 O SER A 27 -11.243 -2.940 -7.624 1.00 0.00 O ATOM 362 CB SER A 27 -12.502 -3.404 -10.456 1.00 0.00 C ATOM 363 OG SER A 27 -13.501 -3.565 -11.448 1.00 0.00 O ATOM 0 H SER A 27 -12.273 -1.020 -8.811 1.00 0.00 H new ATOM 0 HA SER A 27 -14.131 -3.283 -9.060 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.753 -2.691 -10.802 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.989 -4.352 -10.295 1.00 0.00 H new ATOM 0 HG SER A 27 -13.088 -3.876 -12.281 1.00 0.00 H new ATOM 369 N ILE A 28 -12.820 -4.522 -7.345 1.00 0.00 N ATOM 370 CA ILE A 28 -12.151 -5.142 -6.208 1.00 0.00 C ATOM 371 C ILE A 28 -10.832 -5.782 -6.628 1.00 0.00 C ATOM 372 O ILE A 28 -10.810 -6.897 -7.152 1.00 0.00 O ATOM 373 CB ILE A 28 -13.040 -6.212 -5.547 1.00 0.00 C ATOM 374 CG1 ILE A 28 -14.314 -5.573 -4.989 1.00 0.00 C ATOM 375 CG2 ILE A 28 -12.275 -6.930 -4.446 1.00 0.00 C ATOM 376 CD1 ILE A 28 -15.323 -6.581 -4.484 1.00 0.00 C ATOM 0 H ILE A 28 -13.698 -4.967 -7.613 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.954 -4.349 -5.487 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.324 -6.945 -6.302 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.047 -4.899 -4.175 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -14.777 -4.965 -5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.917 -7.683 -3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.394 -7.413 -4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.965 -6.210 -3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.200 -6.058 -4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.619 -7.240 -5.300 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -14.877 -7.172 -3.684 1.00 0.00 H new ATOM 388 N CYS A 29 -9.735 -5.071 -6.393 1.00 0.00 N ATOM 389 CA CYS A 29 -8.410 -5.570 -6.746 1.00 0.00 C ATOM 390 C CYS A 29 -7.746 -6.243 -5.550 1.00 0.00 C ATOM 391 O CYS A 29 -7.524 -5.614 -4.515 1.00 0.00 O ATOM 392 CB CYS A 29 -7.531 -4.428 -7.257 1.00 0.00 C ATOM 393 SG CYS A 29 -5.815 -4.901 -7.573 1.00 0.00 S ATOM 0 H CYS A 29 -9.736 -4.148 -5.960 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.527 -6.310 -7.537 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.963 -4.035 -8.177 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.545 -3.619 -6.527 1.00 0.00 H new ATOM 0 HG CYS A 29 -5.153 -3.869 -8.004 1.00 0.00 H new ATOM 399 N ASP A 30 -7.433 -7.526 -5.698 1.00 0.00 N ATOM 400 CA ASP A 30 -6.794 -8.285 -4.629 1.00 0.00 C ATOM 401 C ASP A 30 -5.339 -7.862 -4.457 1.00 0.00 C ATOM 402 O ASP A 30 -4.550 -7.912 -5.402 1.00 0.00 O ATOM 403 CB ASP A 30 -6.871 -9.784 -4.923 1.00 0.00 C ATOM 404 CG ASP A 30 -6.160 -10.159 -6.208 1.00 0.00 C ATOM 405 OD1 ASP A 30 -6.799 -10.101 -7.280 1.00 0.00 O ATOM 406 OD2 ASP A 30 -4.963 -10.510 -6.142 1.00 0.00 O ATOM 0 H ASP A 30 -7.611 -8.062 -6.547 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.326 -8.077 -3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.431 -10.337 -4.093 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.916 -10.085 -4.988 1.00 0.00 H new ATOM 411 N LEU A 31 -4.989 -7.445 -3.245 1.00 0.00 N ATOM 412 CA LEU A 31 -3.628 -7.011 -2.948 1.00 0.00 C ATOM 413 C LEU A 31 -2.863 -8.096 -2.196 1.00 0.00 C ATOM 414 O LEU A 31 -3.029 -8.262 -0.989 1.00 0.00 O ATOM 415 CB LEU A 31 -3.650 -5.723 -2.124 1.00 0.00 C ATOM 416 CG LEU A 31 -2.286 -5.128 -1.772 1.00 0.00 C ATOM 417 CD1 LEU A 31 -1.646 -4.498 -2.999 1.00 0.00 C ATOM 418 CD2 LEU A 31 -2.423 -4.104 -0.655 1.00 0.00 C ATOM 0 H LEU A 31 -5.629 -7.398 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.119 -6.821 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.220 -4.974 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.189 -5.918 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.639 -5.933 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.676 -4.080 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.512 -5.257 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.290 -3.705 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.443 -3.691 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.087 -3.301 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.838 -4.585 0.231 1.00 0.00 H new ATOM 430 N ASN A 32 -2.024 -8.830 -2.919 1.00 0.00 N ATOM 431 CA ASN A 32 -1.231 -9.898 -2.320 1.00 0.00 C ATOM 432 C ASN A 32 -0.007 -9.333 -1.607 1.00 0.00 C ATOM 433 O ASN A 32 0.757 -8.556 -2.182 1.00 0.00 O ATOM 434 CB ASN A 32 -0.794 -10.900 -3.391 1.00 0.00 C ATOM 435 CG ASN A 32 0.345 -11.785 -2.924 1.00 0.00 C ATOM 436 OD1 ASN A 32 0.212 -12.523 -1.948 1.00 0.00 O ATOM 437 ND2 ASN A 32 1.472 -11.716 -3.622 1.00 0.00 N ATOM 0 H ASN A 32 -1.875 -8.705 -3.920 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.853 -10.410 -1.586 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.644 -11.523 -3.670 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.487 -10.360 -4.287 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.273 -12.289 -3.356 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.537 -11.090 -4.424 1.00 0.00 H new ATOM 444 N LEU A 33 0.175 -9.727 -0.352 1.00 0.00 N ATOM 445 CA LEU A 33 1.307 -9.261 0.441 1.00 0.00 C ATOM 446 C LEU A 33 1.978 -10.422 1.167 1.00 0.00 C ATOM 447 O LEU A 33 1.326 -11.181 1.885 1.00 0.00 O ATOM 448 CB LEU A 33 0.848 -8.209 1.452 1.00 0.00 C ATOM 449 CG LEU A 33 0.089 -7.012 0.878 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.897 -6.466 1.899 1.00 0.00 C ATOM 451 CD2 LEU A 33 1.060 -5.926 0.439 1.00 0.00 C ATOM 0 H LEU A 33 -0.447 -10.369 0.139 1.00 0.00 H new ATOM 0 HA LEU A 33 2.033 -8.812 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.212 -8.697 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.725 -7.837 1.983 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.471 -7.346 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.428 -5.615 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.613 -7.244 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.358 -6.148 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.503 -5.082 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.647 -5.595 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.727 -6.322 -0.327 1.00 0.00 H new ATOM 463 N LYS A 34 3.287 -10.554 0.977 1.00 0.00 N ATOM 464 CA LYS A 34 4.049 -11.620 1.616 1.00 0.00 C ATOM 465 C LYS A 34 4.329 -11.288 3.079 1.00 0.00 C ATOM 466 O LYS A 34 5.452 -10.939 3.442 1.00 0.00 O ATOM 467 CB LYS A 34 5.368 -11.848 0.873 1.00 0.00 C ATOM 468 CG LYS A 34 5.185 -12.233 -0.585 1.00 0.00 C ATOM 469 CD LYS A 34 6.519 -12.497 -1.263 1.00 0.00 C ATOM 470 CE LYS A 34 6.349 -12.727 -2.757 1.00 0.00 C ATOM 471 NZ LYS A 34 6.163 -11.448 -3.497 1.00 0.00 N ATOM 0 H LYS A 34 3.842 -9.936 0.385 1.00 0.00 H new ATOM 0 HA LYS A 34 3.453 -12.532 1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.968 -10.940 0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.930 -12.633 1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.559 -13.123 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.660 -11.435 -1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.186 -11.651 -1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.992 -13.369 -0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.224 -13.248 -3.146 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.489 -13.375 -2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.051 -11.647 -4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.314 -10.963 -3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.994 -10.840 -3.354 1.00 0.00 H new ATOM 485 N ILE A 35 3.301 -11.401 3.913 1.00 0.00 N ATOM 486 CA ILE A 35 3.438 -11.115 5.336 1.00 0.00 C ATOM 487 C ILE A 35 3.789 -12.376 6.119 1.00 0.00 C ATOM 488 O ILE A 35 3.251 -13.457 5.876 1.00 0.00 O ATOM 489 CB ILE A 35 2.146 -10.508 5.915 1.00 0.00 C ATOM 490 CG1 ILE A 35 1.806 -9.199 5.199 1.00 0.00 C ATOM 491 CG2 ILE A 35 2.294 -10.276 7.411 1.00 0.00 C ATOM 492 CD1 ILE A 35 0.326 -8.887 5.179 1.00 0.00 C ATOM 0 H ILE A 35 2.365 -11.688 3.628 1.00 0.00 H new ATOM 0 HA ILE A 35 4.247 -10.391 5.436 1.00 0.00 H new ATOM 0 HB ILE A 35 1.329 -11.211 5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.335 -8.380 5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.172 -9.250 4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.373 -9.847 7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.494 -11.225 7.908 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.121 -9.590 7.593 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.160 -7.945 4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.208 -9.687 4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.042 -8.804 6.202 1.00 0.00 H new ATOM 504 N PRO A 36 4.711 -12.236 7.082 1.00 0.00 N ATOM 505 CA PRO A 36 5.153 -13.353 7.923 1.00 0.00 C ATOM 506 C PRO A 36 4.069 -13.814 8.891 1.00 0.00 C ATOM 507 O PRO A 36 2.896 -13.479 8.729 1.00 0.00 O ATOM 508 CB PRO A 36 6.342 -12.770 8.690 1.00 0.00 C ATOM 509 CG PRO A 36 6.094 -11.302 8.717 1.00 0.00 C ATOM 510 CD PRO A 36 5.393 -10.977 7.426 1.00 0.00 C ATOM 0 HA PRO A 36 5.400 -14.235 7.332 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.402 -13.180 9.698 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.285 -13.003 8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.481 -11.025 9.575 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.030 -10.750 8.803 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.685 -10.157 7.548 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.098 -10.677 6.651 1.00 0.00 H new ATOM 518 N GLU A 37 4.470 -14.584 9.898 1.00 0.00 N ATOM 519 CA GLU A 37 3.531 -15.091 10.891 1.00 0.00 C ATOM 520 C GLU A 37 2.563 -13.997 11.333 1.00 0.00 C ATOM 521 O GLU A 37 1.433 -14.279 11.734 1.00 0.00 O ATOM 522 CB GLU A 37 4.285 -15.641 12.104 1.00 0.00 C ATOM 523 CG GLU A 37 4.748 -17.078 11.933 1.00 0.00 C ATOM 524 CD GLU A 37 4.941 -17.791 13.257 1.00 0.00 C ATOM 525 OE1 GLU A 37 3.930 -18.052 13.943 1.00 0.00 O ATOM 526 OE2 GLU A 37 6.102 -18.088 13.608 1.00 0.00 O ATOM 0 H GLU A 37 5.438 -14.870 10.047 1.00 0.00 H new ATOM 0 HA GLU A 37 2.957 -15.897 10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.152 -15.010 12.299 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.641 -15.578 12.981 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.017 -17.622 11.335 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.686 -17.090 11.378 1.00 0.00 H new ATOM 533 N ILE A 38 3.015 -12.750 11.259 1.00 0.00 N ATOM 534 CA ILE A 38 2.190 -11.614 11.650 1.00 0.00 C ATOM 535 C ILE A 38 0.724 -11.856 11.308 1.00 0.00 C ATOM 536 O ILE A 38 0.397 -12.281 10.201 1.00 0.00 O ATOM 537 CB ILE A 38 2.658 -10.316 10.967 1.00 0.00 C ATOM 538 CG1 ILE A 38 3.991 -9.854 11.559 1.00 0.00 C ATOM 539 CG2 ILE A 38 1.603 -9.230 11.113 1.00 0.00 C ATOM 540 CD1 ILE A 38 4.492 -8.551 10.976 1.00 0.00 C ATOM 0 H ILE A 38 3.948 -12.501 10.932 1.00 0.00 H new ATOM 0 HA ILE A 38 2.295 -11.504 12.729 1.00 0.00 H new ATOM 0 HB ILE A 38 2.803 -10.514 9.905 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.881 -9.741 12.638 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.740 -10.628 11.394 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.949 -8.319 10.625 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.674 -9.560 10.648 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.429 -9.032 12.171 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.441 -8.285 11.442 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.635 -8.664 9.901 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.762 -7.764 11.164 1.00 0.00 H new ATOM 552 N ASN A 39 -0.155 -11.579 12.265 1.00 0.00 N ATOM 553 CA ASN A 39 -1.588 -11.765 12.065 1.00 0.00 C ATOM 554 C ASN A 39 -2.261 -10.447 11.693 1.00 0.00 C ATOM 555 O ASN A 39 -1.768 -9.370 12.030 1.00 0.00 O ATOM 556 CB ASN A 39 -2.230 -12.340 13.329 1.00 0.00 C ATOM 557 CG ASN A 39 -1.598 -13.651 13.754 1.00 0.00 C ATOM 558 OD1 ASN A 39 -0.527 -14.022 13.272 1.00 0.00 O ATOM 559 ND2 ASN A 39 -2.260 -14.361 14.660 1.00 0.00 N ATOM 0 H ASN A 39 0.099 -11.225 13.187 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.727 -12.468 11.243 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.140 -11.617 14.140 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.295 -12.493 13.155 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.884 -15.252 14.984 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.144 -14.015 15.032 1.00 0.00 H new ATOM 566 N SER A 40 -3.389 -10.541 10.998 1.00 0.00 N ATOM 567 CA SER A 40 -4.128 -9.356 10.577 1.00 0.00 C ATOM 568 C SER A 40 -4.761 -8.657 11.777 1.00 0.00 C ATOM 569 O SER A 40 -4.768 -7.428 11.860 1.00 0.00 O ATOM 570 CB SER A 40 -5.211 -9.737 9.566 1.00 0.00 C ATOM 571 OG SER A 40 -6.120 -10.673 10.119 1.00 0.00 O ATOM 0 H SER A 40 -3.812 -11.425 10.714 1.00 0.00 H new ATOM 0 HA SER A 40 -3.426 -8.668 10.105 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.751 -8.843 9.253 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.748 -10.159 8.674 1.00 0.00 H new ATOM 0 HG SER A 40 -6.803 -10.898 9.453 1.00 0.00 H new ATOM 577 N SER A 41 -5.291 -9.448 12.704 1.00 0.00 N ATOM 578 CA SER A 41 -5.929 -8.906 13.897 1.00 0.00 C ATOM 579 C SER A 41 -5.071 -7.811 14.523 1.00 0.00 C ATOM 580 O SER A 41 -5.578 -6.927 15.213 1.00 0.00 O ATOM 581 CB SER A 41 -6.180 -10.018 14.917 1.00 0.00 C ATOM 582 OG SER A 41 -4.965 -10.458 15.501 1.00 0.00 O ATOM 0 H SER A 41 -5.291 -10.467 12.652 1.00 0.00 H new ATOM 0 HA SER A 41 -6.884 -8.471 13.602 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.852 -9.657 15.696 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.678 -10.857 14.430 1.00 0.00 H new ATOM 0 HG SER A 41 -5.152 -11.168 16.150 1.00 0.00 H new ATOM 588 N ASP A 42 -3.767 -7.877 14.276 1.00 0.00 N ATOM 589 CA ASP A 42 -2.836 -6.891 14.814 1.00 0.00 C ATOM 590 C ASP A 42 -2.528 -5.814 13.778 1.00 0.00 C ATOM 591 O ASP A 42 -2.378 -4.640 14.116 1.00 0.00 O ATOM 592 CB ASP A 42 -1.542 -7.571 15.261 1.00 0.00 C ATOM 593 CG ASP A 42 -1.798 -8.816 16.088 1.00 0.00 C ATOM 594 OD1 ASP A 42 -1.976 -9.898 15.492 1.00 0.00 O ATOM 595 OD2 ASP A 42 -1.820 -8.707 17.333 1.00 0.00 O ATOM 0 H ASP A 42 -3.331 -8.602 13.707 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.305 -6.417 15.677 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.952 -7.836 14.383 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.948 -6.867 15.844 1.00 0.00 H new ATOM 600 N MET A 43 -2.433 -6.222 12.517 1.00 0.00 N ATOM 601 CA MET A 43 -2.142 -5.291 11.433 1.00 0.00 C ATOM 602 C MET A 43 -3.372 -4.457 11.088 1.00 0.00 C ATOM 603 O MET A 43 -4.468 -4.715 11.586 1.00 0.00 O ATOM 604 CB MET A 43 -1.664 -6.051 10.194 1.00 0.00 C ATOM 605 CG MET A 43 -0.181 -6.386 10.222 1.00 0.00 C ATOM 606 SD MET A 43 0.382 -7.172 8.700 1.00 0.00 S ATOM 607 CE MET A 43 -0.961 -8.316 8.393 1.00 0.00 C ATOM 0 H MET A 43 -2.553 -7.191 12.221 1.00 0.00 H new ATOM 0 HA MET A 43 -1.351 -4.620 11.767 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.235 -6.975 10.101 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.877 -5.454 9.307 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.391 -5.473 10.388 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.022 -7.047 11.065 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.607 -9.133 7.764 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.321 -8.717 9.340 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.774 -7.795 7.887 1.00 0.00 H new ATOM 617 N SER A 44 -3.183 -3.457 10.233 1.00 0.00 N ATOM 618 CA SER A 44 -4.276 -2.583 9.825 1.00 0.00 C ATOM 619 C SER A 44 -4.042 -2.040 8.419 1.00 0.00 C ATOM 620 O SER A 44 -3.022 -1.406 8.148 1.00 0.00 O ATOM 621 CB SER A 44 -4.426 -1.424 10.813 1.00 0.00 C ATOM 622 OG SER A 44 -5.004 -1.863 12.030 1.00 0.00 O ATOM 0 H SER A 44 -2.283 -3.232 9.809 1.00 0.00 H new ATOM 0 HA SER A 44 -5.195 -3.169 9.821 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.450 -0.981 11.009 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.047 -0.644 10.372 1.00 0.00 H new ATOM 0 HG SER A 44 -5.049 -2.842 12.036 1.00 0.00 H new ATOM 628 N ALA A 45 -4.994 -2.293 7.527 1.00 0.00 N ATOM 629 CA ALA A 45 -4.894 -1.829 6.149 1.00 0.00 C ATOM 630 C ALA A 45 -5.991 -0.820 5.828 1.00 0.00 C ATOM 631 O ALA A 45 -7.163 -1.045 6.133 1.00 0.00 O ATOM 632 CB ALA A 45 -4.960 -3.007 5.189 1.00 0.00 C ATOM 0 H ALA A 45 -5.844 -2.817 7.734 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.932 -1.330 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.884 -2.645 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.136 -3.691 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.907 -3.530 5.320 1.00 0.00 H new ATOM 638 N HIS A 46 -5.605 0.292 5.212 1.00 0.00 N ATOM 639 CA HIS A 46 -6.557 1.336 4.850 1.00 0.00 C ATOM 640 C HIS A 46 -6.046 2.151 3.665 1.00 0.00 C ATOM 641 O HIS A 46 -4.845 2.388 3.534 1.00 0.00 O ATOM 642 CB HIS A 46 -6.815 2.257 6.043 1.00 0.00 C ATOM 643 CG HIS A 46 -7.341 1.541 7.249 1.00 0.00 C ATOM 644 ND1 HIS A 46 -6.569 0.695 8.018 1.00 0.00 N ATOM 645 CD2 HIS A 46 -8.569 1.549 7.819 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.301 0.213 9.007 1.00 0.00 C ATOM 647 NE2 HIS A 46 -8.518 0.717 8.909 1.00 0.00 N ATOM 0 H HIS A 46 -4.639 0.494 4.953 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.492 0.856 4.562 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.887 2.764 6.308 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.527 3.028 5.749 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.429 2.107 7.479 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.962 -0.476 9.766 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.294 0.520 9.541 1.00 0.00 H new ATOM 655 N VAL A 47 -6.966 2.576 2.805 1.00 0.00 N ATOM 656 CA VAL A 47 -6.608 3.364 1.632 1.00 0.00 C ATOM 657 C VAL A 47 -6.982 4.830 1.819 1.00 0.00 C ATOM 658 O VAL A 47 -8.153 5.166 2.002 1.00 0.00 O ATOM 659 CB VAL A 47 -7.300 2.828 0.364 1.00 0.00 C ATOM 660 CG1 VAL A 47 -6.894 3.647 -0.852 1.00 0.00 C ATOM 661 CG2 VAL A 47 -6.971 1.357 0.160 1.00 0.00 C ATOM 0 H VAL A 47 -7.964 2.388 2.899 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.528 3.280 1.512 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.378 2.921 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.392 3.254 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.184 4.687 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.814 3.587 -0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.468 0.994 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.893 1.237 0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.316 0.784 1.021 1.00 0.00 H new ATOM 671 N THR A 48 -5.979 5.701 1.774 1.00 0.00 N ATOM 672 CA THR A 48 -6.201 7.132 1.939 1.00 0.00 C ATOM 673 C THR A 48 -6.418 7.814 0.594 1.00 0.00 C ATOM 674 O THR A 48 -5.740 7.505 -0.386 1.00 0.00 O ATOM 675 CB THR A 48 -5.016 7.805 2.658 1.00 0.00 C ATOM 676 OG1 THR A 48 -4.970 7.384 4.026 1.00 0.00 O ATOM 677 CG2 THR A 48 -5.133 9.320 2.592 1.00 0.00 C ATOM 0 H THR A 48 -5.004 5.440 1.625 1.00 0.00 H new ATOM 0 HA THR A 48 -7.098 7.244 2.548 1.00 0.00 H new ATOM 0 HB THR A 48 -4.097 7.505 2.155 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.213 7.815 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.285 9.773 3.106 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.138 9.639 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.059 9.635 3.073 1.00 0.00 H new ATOM 685 N SER A 49 -7.366 8.745 0.553 1.00 0.00 N ATOM 686 CA SER A 49 -7.674 9.469 -0.674 1.00 0.00 C ATOM 687 C SER A 49 -6.792 10.706 -0.811 1.00 0.00 C ATOM 688 O SER A 49 -6.317 11.274 0.173 1.00 0.00 O ATOM 689 CB SER A 49 -9.149 9.876 -0.695 1.00 0.00 C ATOM 690 OG SER A 49 -9.355 11.084 0.016 1.00 0.00 O ATOM 0 H SER A 49 -7.934 9.015 1.356 1.00 0.00 H new ATOM 0 HA SER A 49 -7.475 8.807 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.482 9.996 -1.726 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.754 9.084 -0.255 1.00 0.00 H new ATOM 0 HG SER A 49 -9.769 11.746 -0.577 1.00 0.00 H new ATOM 696 N PRO A 50 -6.566 11.136 -2.062 1.00 0.00 N ATOM 697 CA PRO A 50 -5.741 12.310 -2.359 1.00 0.00 C ATOM 698 C PRO A 50 -6.408 13.612 -1.927 1.00 0.00 C ATOM 699 O PRO A 50 -5.856 14.696 -2.118 1.00 0.00 O ATOM 700 CB PRO A 50 -5.593 12.264 -3.881 1.00 0.00 C ATOM 701 CG PRO A 50 -6.790 11.514 -4.356 1.00 0.00 C ATOM 702 CD PRO A 50 -7.101 10.508 -3.282 1.00 0.00 C ATOM 0 HA PRO A 50 -4.792 12.287 -1.824 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.560 13.267 -4.306 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.670 11.763 -4.174 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.633 12.186 -4.517 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.589 11.020 -5.307 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.172 10.323 -3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.626 9.547 -3.481 1.00 0.00 H new ATOM 710 N SER A 51 -7.597 13.497 -1.344 1.00 0.00 N ATOM 711 CA SER A 51 -8.340 14.666 -0.889 1.00 0.00 C ATOM 712 C SER A 51 -8.285 14.786 0.631 1.00 0.00 C ATOM 713 O SER A 51 -8.067 15.870 1.172 1.00 0.00 O ATOM 714 CB SER A 51 -9.796 14.583 -1.353 1.00 0.00 C ATOM 715 OG SER A 51 -10.407 13.385 -0.905 1.00 0.00 O ATOM 0 H SER A 51 -8.066 12.607 -1.176 1.00 0.00 H new ATOM 0 HA SER A 51 -7.877 15.552 -1.323 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.351 15.441 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.837 14.631 -2.441 1.00 0.00 H new ATOM 0 HG SER A 51 -11.372 13.427 -1.073 1.00 0.00 H new ATOM 721 N GLY A 52 -8.485 13.664 1.315 1.00 0.00 N ATOM 722 CA GLY A 52 -8.455 13.664 2.766 1.00 0.00 C ATOM 723 C GLY A 52 -9.251 12.520 3.363 1.00 0.00 C ATOM 724 O GLY A 52 -8.994 12.098 4.490 1.00 0.00 O ATOM 0 H GLY A 52 -8.667 12.755 0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.421 13.599 3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.852 14.610 3.134 1.00 0.00 H new ATOM 728 N ARG A 53 -10.222 12.019 2.606 1.00 0.00 N ATOM 729 CA ARG A 53 -11.060 10.919 3.068 1.00 0.00 C ATOM 730 C ARG A 53 -10.287 9.604 3.055 1.00 0.00 C ATOM 731 O ARG A 53 -9.507 9.339 2.141 1.00 0.00 O ATOM 732 CB ARG A 53 -12.308 10.798 2.191 1.00 0.00 C ATOM 733 CG ARG A 53 -13.484 11.623 2.689 1.00 0.00 C ATOM 734 CD ARG A 53 -13.352 13.083 2.283 1.00 0.00 C ATOM 735 NE ARG A 53 -13.608 13.281 0.859 1.00 0.00 N ATOM 736 CZ ARG A 53 -13.903 14.460 0.322 1.00 0.00 C ATOM 737 NH1 ARG A 53 -13.976 15.540 1.087 1.00 0.00 N ATOM 738 NH2 ARG A 53 -14.123 14.559 -0.982 1.00 0.00 N ATOM 0 H ARG A 53 -10.448 12.357 1.671 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.363 11.132 4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -12.060 11.109 1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -12.606 9.751 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.412 11.215 2.288 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.547 11.550 3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.051 13.685 2.864 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.349 13.437 2.524 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.558 12.470 0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.806 15.467 2.090 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.203 16.444 0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.066 13.730 -1.573 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.349 15.464 -1.394 1.00 0.00 H new ATOM 752 N VAL A 54 -10.509 8.783 4.077 1.00 0.00 N ATOM 753 CA VAL A 54 -9.834 7.495 4.183 1.00 0.00 C ATOM 754 C VAL A 54 -10.839 6.349 4.216 1.00 0.00 C ATOM 755 O VAL A 54 -11.890 6.447 4.852 1.00 0.00 O ATOM 756 CB VAL A 54 -8.953 7.426 5.444 1.00 0.00 C ATOM 757 CG1 VAL A 54 -8.310 6.053 5.572 1.00 0.00 C ATOM 758 CG2 VAL A 54 -7.894 8.518 5.415 1.00 0.00 C ATOM 0 H VAL A 54 -11.151 8.987 4.843 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.202 7.395 3.301 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.586 7.588 6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.691 6.023 6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.087 5.292 5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.690 5.859 4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.281 8.454 6.314 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.263 8.390 4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.378 9.494 5.375 1.00 0.00 H new ATOM 768 N THR A 55 -10.511 5.261 3.526 1.00 0.00 N ATOM 769 CA THR A 55 -11.384 4.096 3.475 1.00 0.00 C ATOM 770 C THR A 55 -10.787 2.926 4.248 1.00 0.00 C ATOM 771 O THR A 55 -9.609 2.944 4.606 1.00 0.00 O ATOM 772 CB THR A 55 -11.649 3.655 2.023 1.00 0.00 C ATOM 773 OG1 THR A 55 -10.418 3.284 1.392 1.00 0.00 O ATOM 774 CG2 THR A 55 -12.314 4.771 1.231 1.00 0.00 C ATOM 0 H THR A 55 -9.646 5.163 2.994 1.00 0.00 H new ATOM 0 HA THR A 55 -12.327 4.389 3.936 1.00 0.00 H new ATOM 0 HB THR A 55 -12.320 2.796 2.044 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.762 4.003 1.506 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.491 4.436 0.209 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.264 5.032 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.664 5.646 1.219 1.00 0.00 H new ATOM 782 N GLU A 56 -11.606 1.910 4.502 1.00 0.00 N ATOM 783 CA GLU A 56 -11.156 0.732 5.234 1.00 0.00 C ATOM 784 C GLU A 56 -11.056 -0.478 4.309 1.00 0.00 C ATOM 785 O GLU A 56 -11.826 -0.611 3.358 1.00 0.00 O ATOM 786 CB GLU A 56 -12.111 0.426 6.390 1.00 0.00 C ATOM 787 CG GLU A 56 -11.800 -0.876 7.108 1.00 0.00 C ATOM 788 CD GLU A 56 -10.746 -0.711 8.186 1.00 0.00 C ATOM 789 OE1 GLU A 56 -10.949 0.127 9.090 1.00 0.00 O ATOM 790 OE2 GLU A 56 -9.719 -1.418 8.125 1.00 0.00 O ATOM 0 H GLU A 56 -12.583 1.879 4.212 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.165 0.943 5.637 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.073 1.245 7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.131 0.385 6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.714 -1.267 7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.459 -1.614 6.382 1.00 0.00 H new ATOM 797 N ALA A 57 -10.102 -1.357 4.595 1.00 0.00 N ATOM 798 CA ALA A 57 -9.901 -2.556 3.791 1.00 0.00 C ATOM 799 C ALA A 57 -10.081 -3.816 4.630 1.00 0.00 C ATOM 800 O ALA A 57 -10.058 -3.762 5.859 1.00 0.00 O ATOM 801 CB ALA A 57 -8.521 -2.538 3.151 1.00 0.00 C ATOM 0 H ALA A 57 -9.456 -1.261 5.378 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.654 -2.565 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.385 -3.440 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.428 -1.661 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.759 -2.501 3.930 1.00 0.00 H new ATOM 807 N GLU A 58 -10.261 -4.949 3.958 1.00 0.00 N ATOM 808 CA GLU A 58 -10.446 -6.223 4.644 1.00 0.00 C ATOM 809 C GLU A 58 -9.308 -7.186 4.319 1.00 0.00 C ATOM 810 O GLU A 58 -8.907 -7.323 3.163 1.00 0.00 O ATOM 811 CB GLU A 58 -11.786 -6.848 4.251 1.00 0.00 C ATOM 812 CG GLU A 58 -11.961 -8.273 4.748 1.00 0.00 C ATOM 813 CD GLU A 58 -13.415 -8.638 4.974 1.00 0.00 C ATOM 814 OE1 GLU A 58 -14.066 -9.109 4.018 1.00 0.00 O ATOM 815 OE2 GLU A 58 -13.903 -8.452 6.109 1.00 0.00 O ATOM 0 H GLU A 58 -10.283 -5.011 2.940 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.442 -6.033 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.594 -6.232 4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.878 -6.837 3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.526 -8.962 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.410 -8.399 5.680 1.00 0.00 H new ATOM 822 N ILE A 59 -8.792 -7.850 5.348 1.00 0.00 N ATOM 823 CA ILE A 59 -7.701 -8.801 5.173 1.00 0.00 C ATOM 824 C ILE A 59 -8.220 -10.234 5.142 1.00 0.00 C ATOM 825 O ILE A 59 -8.700 -10.754 6.149 1.00 0.00 O ATOM 826 CB ILE A 59 -6.654 -8.670 6.295 1.00 0.00 C ATOM 827 CG1 ILE A 59 -6.180 -7.220 6.413 1.00 0.00 C ATOM 828 CG2 ILE A 59 -5.478 -9.598 6.033 1.00 0.00 C ATOM 829 CD1 ILE A 59 -5.477 -6.919 7.718 1.00 0.00 C ATOM 0 H ILE A 59 -9.112 -7.747 6.311 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.230 -8.567 4.218 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.116 -8.959 7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.505 -6.998 5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.038 -6.556 6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.747 -9.494 6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.830 -10.629 5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.014 -9.337 5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.169 -5.874 7.732 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.156 -7.109 8.549 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.599 -7.558 7.814 1.00 0.00 H new ATOM 841 N VAL A 60 -8.119 -10.869 3.978 1.00 0.00 N ATOM 842 CA VAL A 60 -8.576 -12.245 3.816 1.00 0.00 C ATOM 843 C VAL A 60 -7.424 -13.229 3.986 1.00 0.00 C ATOM 844 O VAL A 60 -6.425 -13.184 3.267 1.00 0.00 O ATOM 845 CB VAL A 60 -9.224 -12.462 2.436 1.00 0.00 C ATOM 846 CG1 VAL A 60 -9.894 -13.825 2.369 1.00 0.00 C ATOM 847 CG2 VAL A 60 -10.221 -11.353 2.136 1.00 0.00 C ATOM 0 H VAL A 60 -7.725 -10.453 3.134 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.321 -12.425 4.591 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.442 -12.431 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.346 -13.960 1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.151 -14.604 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.666 -13.889 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.670 -11.522 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.001 -11.350 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.707 -10.392 2.139 1.00 0.00 H new ATOM 857 N PRO A 61 -7.565 -14.142 4.958 1.00 0.00 N ATOM 858 CA PRO A 61 -6.547 -15.157 5.244 1.00 0.00 C ATOM 859 C PRO A 61 -6.446 -16.205 4.141 1.00 0.00 C ATOM 860 O PRO A 61 -7.377 -16.979 3.920 1.00 0.00 O ATOM 861 CB PRO A 61 -7.039 -15.797 6.545 1.00 0.00 C ATOM 862 CG PRO A 61 -8.512 -15.572 6.544 1.00 0.00 C ATOM 863 CD PRO A 61 -8.729 -14.255 5.853 1.00 0.00 C ATOM 0 HA PRO A 61 -5.550 -14.723 5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.801 -16.860 6.578 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.569 -15.338 7.415 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.029 -16.377 6.022 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.904 -15.548 7.561 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -9.666 -14.243 5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.770 -13.430 6.564 1.00 0.00 H new ATOM 871 N MET A 62 -5.310 -16.223 3.451 1.00 0.00 N ATOM 872 CA MET A 62 -5.088 -17.178 2.371 1.00 0.00 C ATOM 873 C MET A 62 -4.072 -18.239 2.783 1.00 0.00 C ATOM 874 O MET A 62 -3.192 -18.605 2.005 1.00 0.00 O ATOM 875 CB MET A 62 -4.605 -16.454 1.113 1.00 0.00 C ATOM 876 CG MET A 62 -5.678 -15.606 0.449 1.00 0.00 C ATOM 877 SD MET A 62 -6.780 -16.576 -0.598 1.00 0.00 S ATOM 878 CE MET A 62 -8.147 -15.437 -0.799 1.00 0.00 C ATOM 0 H MET A 62 -4.530 -15.588 3.620 1.00 0.00 H new ATOM 0 HA MET A 62 -6.036 -17.672 2.156 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.759 -15.817 1.373 1.00 0.00 H new ATOM 0 HB3 MET A 62 -4.241 -17.191 0.397 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.264 -15.101 1.217 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.203 -14.830 -0.151 1.00 0.00 H new ATOM 0 HE1 MET A 62 -8.913 -15.895 -1.425 1.00 0.00 H new ATOM 0 HE2 MET A 62 -8.570 -15.201 0.177 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.791 -14.521 -1.272 1.00 0.00 H new ATOM 888 N GLY A 63 -4.201 -18.728 4.013 1.00 0.00 N ATOM 889 CA GLY A 63 -3.287 -19.742 4.506 1.00 0.00 C ATOM 890 C GLY A 63 -2.273 -19.182 5.485 1.00 0.00 C ATOM 891 O GLY A 63 -2.497 -18.134 6.091 1.00 0.00 O ATOM 0 H GLY A 63 -4.921 -18.440 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.856 -20.535 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.763 -20.195 3.664 1.00 0.00 H new ATOM 895 N LYS A 64 -1.155 -19.882 5.642 1.00 0.00 N ATOM 896 CA LYS A 64 -0.103 -19.450 6.554 1.00 0.00 C ATOM 897 C LYS A 64 0.720 -18.322 5.939 1.00 0.00 C ATOM 898 O LYS A 64 0.983 -18.317 4.737 1.00 0.00 O ATOM 899 CB LYS A 64 0.809 -20.627 6.907 1.00 0.00 C ATOM 900 CG LYS A 64 1.787 -20.323 8.029 1.00 0.00 C ATOM 901 CD LYS A 64 2.823 -21.425 8.180 1.00 0.00 C ATOM 902 CE LYS A 64 3.631 -21.259 9.458 1.00 0.00 C ATOM 903 NZ LYS A 64 2.969 -21.914 10.621 1.00 0.00 N ATOM 0 H LYS A 64 -0.954 -20.752 5.149 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.575 -19.078 7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.193 -21.480 7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.368 -20.922 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.288 -19.376 7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.242 -20.204 8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.326 -22.395 8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.493 -21.416 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.624 -21.685 9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.766 -20.198 9.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.550 -21.779 11.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.031 -21.490 10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.863 -22.931 10.432 1.00 0.00 H new ATOM 917 N ASN A 65 1.126 -17.370 6.773 1.00 0.00 N ATOM 918 CA ASN A 65 1.920 -16.237 6.311 1.00 0.00 C ATOM 919 C ASN A 65 1.423 -15.740 4.957 1.00 0.00 C ATOM 920 O ASN A 65 2.209 -15.294 4.121 1.00 0.00 O ATOM 921 CB ASN A 65 3.396 -16.629 6.212 1.00 0.00 C ATOM 922 CG ASN A 65 3.867 -17.416 7.420 1.00 0.00 C ATOM 923 OD1 ASN A 65 3.265 -17.349 8.492 1.00 0.00 O ATOM 924 ND2 ASN A 65 4.949 -18.167 7.251 1.00 0.00 N ATOM 0 H ASN A 65 0.918 -17.361 7.772 1.00 0.00 H new ATOM 0 HA ASN A 65 1.812 -15.430 7.036 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.552 -17.223 5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.002 -15.729 6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.313 -18.719 8.028 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.416 -18.192 6.344 1.00 0.00 H new ATOM 931 N SER A 66 0.113 -15.820 4.748 1.00 0.00 N ATOM 932 CA SER A 66 -0.490 -15.381 3.495 1.00 0.00 C ATOM 933 C SER A 66 -1.708 -14.500 3.757 1.00 0.00 C ATOM 934 O SER A 66 -2.675 -14.929 4.387 1.00 0.00 O ATOM 935 CB SER A 66 -0.893 -16.589 2.648 1.00 0.00 C ATOM 936 OG SER A 66 0.247 -17.254 2.132 1.00 0.00 O ATOM 0 H SER A 66 -0.551 -16.185 5.430 1.00 0.00 H new ATOM 0 HA SER A 66 0.250 -14.795 2.950 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.479 -17.281 3.252 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.531 -16.264 1.826 1.00 0.00 H new ATOM 0 HG SER A 66 0.709 -17.723 2.858 1.00 0.00 H new ATOM 942 N HIS A 67 -1.653 -13.265 3.269 1.00 0.00 N ATOM 943 CA HIS A 67 -2.751 -12.322 3.449 1.00 0.00 C ATOM 944 C HIS A 67 -3.129 -11.668 2.123 1.00 0.00 C ATOM 945 O HIS A 67 -2.262 -11.351 1.307 1.00 0.00 O ATOM 946 CB HIS A 67 -2.368 -11.249 4.469 1.00 0.00 C ATOM 947 CG HIS A 67 -2.145 -11.787 5.849 1.00 0.00 C ATOM 948 ND1 HIS A 67 -3.108 -11.751 6.835 1.00 0.00 N ATOM 949 CD2 HIS A 67 -1.061 -12.377 6.404 1.00 0.00 C ATOM 950 CE1 HIS A 67 -2.626 -12.295 7.938 1.00 0.00 C ATOM 951 NE2 HIS A 67 -1.385 -12.683 7.703 1.00 0.00 N ATOM 0 H HIS A 67 -0.860 -12.894 2.746 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.614 -12.874 3.821 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.461 -10.747 4.133 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.155 -10.496 4.504 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.117 -12.571 5.916 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.156 -12.404 8.873 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -0.768 -13.136 8.377 1.00 0.00 H new ATOM 959 N CYS A 68 -4.426 -11.471 1.915 1.00 0.00 N ATOM 960 CA CYS A 68 -4.918 -10.857 0.687 1.00 0.00 C ATOM 961 C CYS A 68 -5.930 -9.758 0.997 1.00 0.00 C ATOM 962 O CYS A 68 -7.039 -10.032 1.455 1.00 0.00 O ATOM 963 CB CYS A 68 -5.555 -11.914 -0.217 1.00 0.00 C ATOM 964 SG CYS A 68 -5.489 -11.515 -1.979 1.00 0.00 S ATOM 0 H CYS A 68 -5.155 -11.727 2.580 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.070 -10.410 0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.053 -12.868 -0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.597 -12.047 0.076 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.050 -12.469 -2.661 1.00 0.00 H new ATOM 970 N VAL A 69 -5.539 -8.513 0.744 1.00 0.00 N ATOM 971 CA VAL A 69 -6.411 -7.372 0.997 1.00 0.00 C ATOM 972 C VAL A 69 -7.138 -6.945 -0.273 1.00 0.00 C ATOM 973 O VAL A 69 -6.532 -6.391 -1.191 1.00 0.00 O ATOM 974 CB VAL A 69 -5.620 -6.172 1.551 1.00 0.00 C ATOM 975 CG1 VAL A 69 -6.565 -5.062 1.981 1.00 0.00 C ATOM 976 CG2 VAL A 69 -4.733 -6.608 2.708 1.00 0.00 C ATOM 0 H VAL A 69 -4.624 -8.269 0.364 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.141 -7.690 1.741 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.980 -5.784 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.988 -4.223 2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.153 -4.732 1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.233 -5.434 2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.181 -5.748 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.351 -7.023 3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.030 -7.366 2.362 1.00 0.00 H new ATOM 986 N ARG A 70 -8.440 -7.205 -0.319 1.00 0.00 N ATOM 987 CA ARG A 70 -9.251 -6.848 -1.477 1.00 0.00 C ATOM 988 C ARG A 70 -10.090 -5.606 -1.192 1.00 0.00 C ATOM 989 O ARG A 70 -10.821 -5.552 -0.202 1.00 0.00 O ATOM 990 CB ARG A 70 -10.161 -8.013 -1.868 1.00 0.00 C ATOM 991 CG ARG A 70 -10.955 -8.582 -0.704 1.00 0.00 C ATOM 992 CD ARG A 70 -11.992 -9.590 -1.176 1.00 0.00 C ATOM 993 NE ARG A 70 -11.383 -10.858 -1.570 1.00 0.00 N ATOM 994 CZ ARG A 70 -12.064 -11.992 -1.697 1.00 0.00 C ATOM 995 NH1 ARG A 70 -13.369 -12.015 -1.464 1.00 0.00 N ATOM 996 NH2 ARG A 70 -11.439 -13.105 -2.059 1.00 0.00 N ATOM 0 H ARG A 70 -8.956 -7.662 0.433 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.578 -6.628 -2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.854 -7.679 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.554 -8.806 -2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.276 -9.060 0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.451 -7.772 -0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.714 -9.767 -0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.543 -9.175 -2.020 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.381 -10.874 -1.758 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.853 -11.161 -1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.889 -12.887 -1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.435 -13.090 -2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.962 -13.975 -2.156 1.00 0.00 H new ATOM 1010 N PHE A 71 -9.980 -4.610 -2.064 1.00 0.00 N ATOM 1011 CA PHE A 71 -10.727 -3.368 -1.905 1.00 0.00 C ATOM 1012 C PHE A 71 -10.886 -2.654 -3.244 1.00 0.00 C ATOM 1013 O PHE A 71 -10.231 -3.000 -4.227 1.00 0.00 O ATOM 1014 CB PHE A 71 -10.022 -2.448 -0.905 1.00 0.00 C ATOM 1015 CG PHE A 71 -8.587 -2.174 -1.251 1.00 0.00 C ATOM 1016 CD1 PHE A 71 -7.579 -3.007 -0.792 1.00 0.00 C ATOM 1017 CD2 PHE A 71 -8.245 -1.084 -2.034 1.00 0.00 C ATOM 1018 CE1 PHE A 71 -6.257 -2.758 -1.109 1.00 0.00 C ATOM 1019 CE2 PHE A 71 -6.925 -0.830 -2.354 1.00 0.00 C ATOM 1020 CZ PHE A 71 -5.929 -1.667 -1.890 1.00 0.00 C ATOM 0 H PHE A 71 -9.380 -4.639 -2.889 1.00 0.00 H new ATOM 0 HA PHE A 71 -11.718 -3.616 -1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.561 -1.502 -0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -10.069 -2.899 0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.829 -3.861 -0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -9.019 -0.425 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.481 -3.416 -0.746 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.672 0.023 -2.967 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.897 -1.469 -2.137 1.00 0.00 H new ATOM 1030 N VAL A 72 -11.763 -1.654 -3.275 1.00 0.00 N ATOM 1031 CA VAL A 72 -12.009 -0.890 -4.492 1.00 0.00 C ATOM 1032 C VAL A 72 -11.356 0.485 -4.419 1.00 0.00 C ATOM 1033 O VAL A 72 -11.943 1.454 -3.939 1.00 0.00 O ATOM 1034 CB VAL A 72 -13.518 -0.717 -4.750 1.00 0.00 C ATOM 1035 CG1 VAL A 72 -13.773 -0.363 -6.207 1.00 0.00 C ATOM 1036 CG2 VAL A 72 -14.273 -1.978 -4.359 1.00 0.00 C ATOM 0 H VAL A 72 -12.314 -1.355 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.569 -1.454 -5.315 1.00 0.00 H new ATOM 0 HB VAL A 72 -13.883 0.104 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -14.844 -0.245 -6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.264 0.570 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.394 -1.160 -6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -15.337 -1.838 -4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -13.907 -2.819 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -14.116 -2.182 -3.300 1.00 0.00 H new ATOM 1046 N PRO A 73 -10.110 0.575 -4.907 1.00 0.00 N ATOM 1047 CA PRO A 73 -9.349 1.828 -4.910 1.00 0.00 C ATOM 1048 C PRO A 73 -9.913 2.846 -5.894 1.00 0.00 C ATOM 1049 O PRO A 73 -9.489 2.907 -7.048 1.00 0.00 O ATOM 1050 CB PRO A 73 -7.946 1.390 -5.339 1.00 0.00 C ATOM 1051 CG PRO A 73 -8.162 0.140 -6.120 1.00 0.00 C ATOM 1052 CD PRO A 73 -9.348 -0.540 -5.495 1.00 0.00 C ATOM 0 HA PRO A 73 -9.378 2.324 -3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.460 2.156 -5.944 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.306 1.212 -4.475 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.349 0.364 -7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.281 -0.500 -6.083 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.936 -1.083 -6.235 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.044 -1.262 -4.738 1.00 0.00 H new ATOM 1060 N GLN A 74 -10.870 3.644 -5.431 1.00 0.00 N ATOM 1061 CA GLN A 74 -11.491 4.660 -6.272 1.00 0.00 C ATOM 1062 C GLN A 74 -11.277 6.053 -5.691 1.00 0.00 C ATOM 1063 O GLN A 74 -11.802 6.380 -4.627 1.00 0.00 O ATOM 1064 CB GLN A 74 -12.988 4.382 -6.422 1.00 0.00 C ATOM 1065 CG GLN A 74 -13.625 3.788 -5.176 1.00 0.00 C ATOM 1066 CD GLN A 74 -15.119 4.032 -5.111 1.00 0.00 C ATOM 1067 OE1 GLN A 74 -15.615 5.054 -5.587 1.00 0.00 O ATOM 1068 NE2 GLN A 74 -15.848 3.091 -4.521 1.00 0.00 N ATOM 0 H GLN A 74 -11.232 3.606 -4.478 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.020 4.620 -7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.498 5.312 -6.673 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.140 3.700 -7.258 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.435 2.715 -5.152 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.152 4.216 -4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.396 2.260 -4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.860 3.200 -4.449 1.00 0.00 H new ATOM 1077 N GLU A 75 -10.501 6.871 -6.396 1.00 0.00 N ATOM 1078 CA GLU A 75 -10.217 8.229 -5.949 1.00 0.00 C ATOM 1079 C GLU A 75 -10.225 9.202 -7.124 1.00 0.00 C ATOM 1080 O GLU A 75 -10.473 8.812 -8.265 1.00 0.00 O ATOM 1081 CB GLU A 75 -8.864 8.282 -5.237 1.00 0.00 C ATOM 1082 CG GLU A 75 -8.947 7.993 -3.748 1.00 0.00 C ATOM 1083 CD GLU A 75 -9.442 6.590 -3.453 1.00 0.00 C ATOM 1084 OE1 GLU A 75 -8.983 5.646 -4.129 1.00 0.00 O ATOM 1085 OE2 GLU A 75 -10.287 6.437 -2.547 1.00 0.00 O ATOM 0 H GLU A 75 -10.058 6.616 -7.279 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.999 8.525 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.190 7.562 -5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.425 9.269 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.963 8.129 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.614 8.716 -3.278 1.00 0.00 H new ATOM 1092 N MET A 76 -9.952 10.470 -6.837 1.00 0.00 N ATOM 1093 CA MET A 76 -9.926 11.500 -7.870 1.00 0.00 C ATOM 1094 C MET A 76 -8.492 11.838 -8.265 1.00 0.00 C ATOM 1095 O MET A 76 -8.260 12.662 -9.148 1.00 0.00 O ATOM 1096 CB MET A 76 -10.644 12.760 -7.382 1.00 0.00 C ATOM 1097 CG MET A 76 -10.571 12.956 -5.876 1.00 0.00 C ATOM 1098 SD MET A 76 -11.069 14.613 -5.367 1.00 0.00 S ATOM 1099 CE MET A 76 -12.251 14.229 -4.078 1.00 0.00 C ATOM 0 H MET A 76 -9.746 10.810 -5.898 1.00 0.00 H new ATOM 0 HA MET A 76 -10.444 11.113 -8.748 1.00 0.00 H new ATOM 0 HB2 MET A 76 -10.210 13.630 -7.875 1.00 0.00 H new ATOM 0 HB3 MET A 76 -11.690 12.712 -7.684 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.211 12.222 -5.386 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.552 12.767 -5.538 1.00 0.00 H new ATOM 0 HE1 MET A 76 -12.623 15.154 -3.638 1.00 0.00 H new ATOM 0 HE2 MET A 76 -13.083 13.668 -4.503 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.767 13.630 -3.307 1.00 0.00 H new ATOM 1109 N GLY A 77 -7.534 11.196 -7.604 1.00 0.00 N ATOM 1110 CA GLY A 77 -6.135 11.443 -7.901 1.00 0.00 C ATOM 1111 C GLY A 77 -5.257 10.246 -7.593 1.00 0.00 C ATOM 1112 O GLY A 77 -5.475 9.155 -8.119 1.00 0.00 O ATOM 0 H GLY A 77 -7.701 10.510 -6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.031 11.705 -8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.790 12.301 -7.324 1.00 0.00 H new ATOM 1116 N VAL A 78 -4.259 10.451 -6.739 1.00 0.00 N ATOM 1117 CA VAL A 78 -3.343 9.380 -6.362 1.00 0.00 C ATOM 1118 C VAL A 78 -3.920 8.536 -5.231 1.00 0.00 C ATOM 1119 O VAL A 78 -4.668 9.035 -4.389 1.00 0.00 O ATOM 1120 CB VAL A 78 -1.976 9.938 -5.926 1.00 0.00 C ATOM 1121 CG1 VAL A 78 -2.115 10.758 -4.652 1.00 0.00 C ATOM 1122 CG2 VAL A 78 -0.976 8.808 -5.736 1.00 0.00 C ATOM 0 H VAL A 78 -4.064 11.348 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.207 8.755 -7.244 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.603 10.594 -6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.139 11.144 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.797 11.590 -4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.510 10.128 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.015 9.220 -5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.340 8.125 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.855 8.268 -6.675 1.00 0.00 H new ATOM 1132 N HIS A 79 -3.568 7.255 -5.217 1.00 0.00 N ATOM 1133 CA HIS A 79 -4.050 6.341 -4.187 1.00 0.00 C ATOM 1134 C HIS A 79 -2.922 5.951 -3.236 1.00 0.00 C ATOM 1135 O HIS A 79 -1.771 5.806 -3.647 1.00 0.00 O ATOM 1136 CB HIS A 79 -4.649 5.088 -4.827 1.00 0.00 C ATOM 1137 CG HIS A 79 -5.821 5.372 -5.715 1.00 0.00 C ATOM 1138 ND1 HIS A 79 -5.791 6.311 -6.724 1.00 0.00 N ATOM 1139 CD2 HIS A 79 -7.062 4.832 -5.742 1.00 0.00 C ATOM 1140 CE1 HIS A 79 -6.964 6.338 -7.332 1.00 0.00 C ATOM 1141 NE2 HIS A 79 -7.753 5.450 -6.756 1.00 0.00 N ATOM 0 H HIS A 79 -2.951 6.826 -5.907 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.824 6.853 -3.615 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.878 4.582 -5.408 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.958 4.400 -4.040 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.439 4.059 -5.088 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.232 6.978 -8.160 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -8.718 5.255 -7.021 1.00 0.00 H new ATOM 1149 N THR A 80 -3.261 5.783 -1.961 1.00 0.00 N ATOM 1150 CA THR A 80 -2.278 5.412 -0.951 1.00 0.00 C ATOM 1151 C THR A 80 -2.843 4.371 0.009 1.00 0.00 C ATOM 1152 O THR A 80 -4.012 4.431 0.388 1.00 0.00 O ATOM 1153 CB THR A 80 -1.811 6.638 -0.145 1.00 0.00 C ATOM 1154 OG1 THR A 80 -1.775 7.794 -0.989 1.00 0.00 O ATOM 1155 CG2 THR A 80 -0.433 6.399 0.454 1.00 0.00 C ATOM 0 H THR A 80 -4.209 5.898 -1.604 1.00 0.00 H new ATOM 0 HA THR A 80 -1.424 4.989 -1.480 1.00 0.00 H new ATOM 0 HB THR A 80 -2.519 6.803 0.667 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.479 8.570 -0.469 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.124 7.279 1.019 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.470 5.536 1.118 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.284 6.211 -0.345 1.00 0.00 H new ATOM 1163 N VAL A 81 -2.004 3.417 0.401 1.00 0.00 N ATOM 1164 CA VAL A 81 -2.419 2.364 1.319 1.00 0.00 C ATOM 1165 C VAL A 81 -1.640 2.438 2.628 1.00 0.00 C ATOM 1166 O VAL A 81 -0.473 2.053 2.691 1.00 0.00 O ATOM 1167 CB VAL A 81 -2.225 0.968 0.698 1.00 0.00 C ATOM 1168 CG1 VAL A 81 -2.721 -0.113 1.646 1.00 0.00 C ATOM 1169 CG2 VAL A 81 -2.936 0.880 -0.644 1.00 0.00 C ATOM 0 H VAL A 81 -1.033 3.352 0.097 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.479 2.520 1.520 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.160 0.808 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.575 -1.092 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.162 -0.062 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.781 0.039 1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.789 -0.113 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.002 1.060 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.527 1.629 -1.322 1.00 0.00 H new ATOM 1179 N SER A 82 -2.295 2.935 3.673 1.00 0.00 N ATOM 1180 CA SER A 82 -1.664 3.063 4.981 1.00 0.00 C ATOM 1181 C SER A 82 -1.678 1.730 5.723 1.00 0.00 C ATOM 1182 O SER A 82 -2.642 1.403 6.416 1.00 0.00 O ATOM 1183 CB SER A 82 -2.376 4.131 5.812 1.00 0.00 C ATOM 1184 OG SER A 82 -1.989 5.434 5.410 1.00 0.00 O ATOM 0 H SER A 82 -3.263 3.256 3.639 1.00 0.00 H new ATOM 0 HA SER A 82 -0.627 3.363 4.830 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.455 4.020 5.705 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.144 3.989 6.868 1.00 0.00 H new ATOM 0 HG SER A 82 -2.460 6.098 5.956 1.00 0.00 H new ATOM 1190 N VAL A 83 -0.601 0.965 5.574 1.00 0.00 N ATOM 1191 CA VAL A 83 -0.488 -0.332 6.230 1.00 0.00 C ATOM 1192 C VAL A 83 0.548 -0.293 7.348 1.00 0.00 C ATOM 1193 O VAL A 83 1.753 -0.328 7.095 1.00 0.00 O ATOM 1194 CB VAL A 83 -0.105 -1.437 5.228 1.00 0.00 C ATOM 1195 CG1 VAL A 83 -0.019 -2.785 5.927 1.00 0.00 C ATOM 1196 CG2 VAL A 83 -1.102 -1.483 4.081 1.00 0.00 C ATOM 0 H VAL A 83 0.206 1.221 5.005 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.467 -0.559 6.653 1.00 0.00 H new ATOM 0 HB VAL A 83 0.877 -1.206 4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.253 -3.553 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.737 -2.741 6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.985 -3.028 6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.817 -2.269 3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.098 -1.690 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.107 -0.523 3.565 1.00 0.00 H new ATOM 1206 N LYS A 84 0.072 -0.221 8.586 1.00 0.00 N ATOM 1207 CA LYS A 84 0.956 -0.179 9.745 1.00 0.00 C ATOM 1208 C LYS A 84 0.794 -1.433 10.598 1.00 0.00 C ATOM 1209 O LYS A 84 -0.291 -2.010 10.672 1.00 0.00 O ATOM 1210 CB LYS A 84 0.667 1.065 10.589 1.00 0.00 C ATOM 1211 CG LYS A 84 0.758 2.364 9.807 1.00 0.00 C ATOM 1212 CD LYS A 84 0.432 3.564 10.680 1.00 0.00 C ATOM 1213 CE LYS A 84 -0.035 4.748 9.848 1.00 0.00 C ATOM 1214 NZ LYS A 84 -0.340 5.935 10.695 1.00 0.00 N ATOM 0 H LYS A 84 -0.922 -0.190 8.813 1.00 0.00 H new ATOM 0 HA LYS A 84 1.984 -0.135 9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.331 0.978 11.019 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.370 1.101 11.421 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.762 2.473 9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.070 2.330 8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.343 3.294 11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.314 3.847 11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.735 5.008 9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.924 4.467 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.655 6.721 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.093 5.695 11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.515 6.219 11.215 1.00 0.00 H new ATOM 1228 N TYR A 85 1.879 -1.849 11.242 1.00 0.00 N ATOM 1229 CA TYR A 85 1.857 -3.036 12.089 1.00 0.00 C ATOM 1230 C TYR A 85 2.072 -2.664 13.553 1.00 0.00 C ATOM 1231 O TYR A 85 3.198 -2.411 13.982 1.00 0.00 O ATOM 1232 CB TYR A 85 2.931 -4.028 11.641 1.00 0.00 C ATOM 1233 CG TYR A 85 3.116 -5.191 12.590 1.00 0.00 C ATOM 1234 CD1 TYR A 85 2.022 -5.893 13.080 1.00 0.00 C ATOM 1235 CD2 TYR A 85 4.384 -5.586 12.998 1.00 0.00 C ATOM 1236 CE1 TYR A 85 2.185 -6.955 13.948 1.00 0.00 C ATOM 1237 CE2 TYR A 85 4.557 -6.647 13.864 1.00 0.00 C ATOM 1238 CZ TYR A 85 3.455 -7.329 14.337 1.00 0.00 C ATOM 1239 OH TYR A 85 3.623 -8.386 15.201 1.00 0.00 O ATOM 0 H TYR A 85 2.785 -1.382 11.194 1.00 0.00 H new ATOM 0 HA TYR A 85 0.877 -3.503 11.991 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.670 -4.413 10.655 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.879 -3.501 11.536 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.027 -5.603 12.777 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.249 -5.054 12.631 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.323 -7.490 14.320 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.550 -6.942 14.170 1.00 0.00 H new ATOM 0 HH TYR A 85 4.579 -8.519 15.373 1.00 0.00 H new ATOM 1249 N ARG A 86 0.983 -2.633 14.315 1.00 0.00 N ATOM 1250 CA ARG A 86 1.051 -2.292 15.731 1.00 0.00 C ATOM 1251 C ARG A 86 1.606 -0.884 15.924 1.00 0.00 C ATOM 1252 O ARG A 86 2.207 -0.579 16.954 1.00 0.00 O ATOM 1253 CB ARG A 86 1.921 -3.303 16.480 1.00 0.00 C ATOM 1254 CG ARG A 86 1.247 -4.648 16.691 1.00 0.00 C ATOM 1255 CD ARG A 86 2.207 -5.665 17.289 1.00 0.00 C ATOM 1256 NE ARG A 86 2.674 -5.264 18.613 1.00 0.00 N ATOM 1257 CZ ARG A 86 3.292 -6.085 19.454 1.00 0.00 C ATOM 1258 NH1 ARG A 86 3.518 -7.346 19.110 1.00 0.00 N ATOM 1259 NH2 ARG A 86 3.688 -5.646 20.642 1.00 0.00 N ATOM 0 H ARG A 86 0.044 -2.840 13.975 1.00 0.00 H new ATOM 0 HA ARG A 86 0.040 -2.324 16.136 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.847 -3.453 15.926 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.194 -2.887 17.450 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.388 -4.526 17.350 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.868 -5.020 15.739 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.712 -6.634 17.357 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.063 -5.790 16.625 1.00 0.00 H new ATOM 0 HE ARG A 86 2.517 -4.300 18.908 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.217 -7.687 18.197 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.993 -7.974 19.758 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.518 -4.677 20.910 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.163 -6.278 21.287 1.00 0.00 H new ATOM 1273 N GLY A 87 1.401 -0.029 14.927 1.00 0.00 N ATOM 1274 CA GLY A 87 1.888 1.335 15.007 1.00 0.00 C ATOM 1275 C GLY A 87 3.254 1.502 14.371 1.00 0.00 C ATOM 1276 O GLY A 87 4.026 2.375 14.766 1.00 0.00 O ATOM 0 H GLY A 87 0.906 -0.257 14.065 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.178 2.000 14.515 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.938 1.639 16.053 1.00 0.00 H new ATOM 1280 N GLN A 88 3.552 0.662 13.385 1.00 0.00 N ATOM 1281 CA GLN A 88 4.835 0.720 12.695 1.00 0.00 C ATOM 1282 C GLN A 88 4.669 0.420 11.209 1.00 0.00 C ATOM 1283 O GLN A 88 4.433 -0.724 10.818 1.00 0.00 O ATOM 1284 CB GLN A 88 5.819 -0.271 13.320 1.00 0.00 C ATOM 1285 CG GLN A 88 5.937 -0.141 14.830 1.00 0.00 C ATOM 1286 CD GLN A 88 6.926 0.928 15.248 1.00 0.00 C ATOM 1287 OE1 GLN A 88 6.641 2.123 15.162 1.00 0.00 O ATOM 1288 NE2 GLN A 88 8.098 0.504 15.706 1.00 0.00 N ATOM 0 H GLN A 88 2.923 -0.066 13.046 1.00 0.00 H new ATOM 0 HA GLN A 88 5.230 1.730 12.801 1.00 0.00 H new ATOM 0 HB2 GLN A 88 5.505 -1.286 13.074 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.802 -0.125 12.873 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.958 0.092 15.248 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.244 -1.099 15.250 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.293 -0.496 15.761 1.00 0.00 H new ATOM 0 HE22 GLN A 88 8.803 1.178 16.003 1.00 0.00 H new ATOM 1297 N HIS A 89 4.792 1.455 10.384 1.00 0.00 N ATOM 1298 CA HIS A 89 4.655 1.302 8.940 1.00 0.00 C ATOM 1299 C HIS A 89 5.426 0.081 8.447 1.00 0.00 C ATOM 1300 O HIS A 89 6.577 -0.134 8.827 1.00 0.00 O ATOM 1301 CB HIS A 89 5.153 2.558 8.224 1.00 0.00 C ATOM 1302 CG HIS A 89 4.104 3.615 8.067 1.00 0.00 C ATOM 1303 ND1 HIS A 89 2.996 3.462 7.260 1.00 0.00 N ATOM 1304 CD2 HIS A 89 3.997 4.845 8.621 1.00 0.00 C ATOM 1305 CE1 HIS A 89 2.254 4.553 7.324 1.00 0.00 C ATOM 1306 NE2 HIS A 89 2.839 5.408 8.143 1.00 0.00 N ATOM 0 H HIS A 89 4.986 2.408 10.691 1.00 0.00 H new ATOM 0 HA HIS A 89 3.599 1.158 8.713 1.00 0.00 H new ATOM 0 HB2 HIS A 89 5.994 2.973 8.779 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.527 2.280 7.239 1.00 0.00 H new ATOM 0 HD2 HIS A 89 4.693 5.299 9.311 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.326 4.718 6.796 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.488 6.335 8.382 1.00 0.00 H new ATOM 1314 N VAL A 90 4.783 -0.716 7.600 1.00 0.00 N ATOM 1315 CA VAL A 90 5.408 -1.915 7.055 1.00 0.00 C ATOM 1316 C VAL A 90 6.332 -1.573 5.892 1.00 0.00 C ATOM 1317 O VAL A 90 6.533 -0.403 5.566 1.00 0.00 O ATOM 1318 CB VAL A 90 4.353 -2.930 6.577 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.395 -3.278 7.707 1.00 0.00 C ATOM 1320 CG2 VAL A 90 3.597 -2.386 5.374 1.00 0.00 C ATOM 0 H VAL A 90 3.830 -0.553 7.276 1.00 0.00 H new ATOM 0 HA VAL A 90 5.992 -2.361 7.860 1.00 0.00 H new ATOM 0 HB VAL A 90 4.865 -3.843 6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.657 -3.996 7.350 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.953 -3.713 8.536 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.888 -2.374 8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.856 -3.116 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.096 -1.458 5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.297 -2.194 4.561 1.00 0.00 H new ATOM 1330 N THR A 91 6.893 -2.603 5.266 1.00 0.00 N ATOM 1331 CA THR A 91 7.797 -2.413 4.139 1.00 0.00 C ATOM 1332 C THR A 91 7.206 -1.448 3.117 1.00 0.00 C ATOM 1333 O THR A 91 6.013 -1.498 2.820 1.00 0.00 O ATOM 1334 CB THR A 91 8.116 -3.749 3.442 1.00 0.00 C ATOM 1335 OG1 THR A 91 9.265 -3.601 2.601 1.00 0.00 O ATOM 1336 CG2 THR A 91 6.932 -4.223 2.613 1.00 0.00 C ATOM 0 H THR A 91 6.737 -3.578 5.521 1.00 0.00 H new ATOM 0 HA THR A 91 8.719 -1.993 4.541 1.00 0.00 H new ATOM 0 HB THR A 91 8.323 -4.494 4.210 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.462 -4.455 2.163 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.181 -5.168 2.130 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.067 -4.363 3.261 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.699 -3.478 1.853 1.00 0.00 H new ATOM 1344 N GLY A 92 8.049 -0.571 2.581 1.00 0.00 N ATOM 1345 CA GLY A 92 7.591 0.392 1.597 1.00 0.00 C ATOM 1346 C GLY A 92 6.201 0.915 1.901 1.00 0.00 C ATOM 1347 O GLY A 92 5.367 1.039 1.004 1.00 0.00 O ATOM 0 H GLY A 92 9.041 -0.510 2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.290 1.228 1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.594 -0.072 0.611 1.00 0.00 H new ATOM 1351 N SER A 93 5.950 1.222 3.170 1.00 0.00 N ATOM 1352 CA SER A 93 4.650 1.729 3.591 1.00 0.00 C ATOM 1353 C SER A 93 4.763 3.167 4.088 1.00 0.00 C ATOM 1354 O SER A 93 5.738 3.553 4.733 1.00 0.00 O ATOM 1355 CB SER A 93 4.065 0.841 4.691 1.00 0.00 C ATOM 1356 OG SER A 93 2.649 0.829 4.637 1.00 0.00 O ATOM 0 H SER A 93 6.630 1.128 3.924 1.00 0.00 H new ATOM 0 HA SER A 93 3.984 1.713 2.728 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.445 -0.175 4.583 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.392 1.202 5.666 1.00 0.00 H new ATOM 0 HG SER A 93 2.292 0.512 5.493 1.00 0.00 H new ATOM 1362 N PRO A 94 3.740 3.980 3.783 1.00 0.00 N ATOM 1363 CA PRO A 94 2.574 3.531 3.016 1.00 0.00 C ATOM 1364 C PRO A 94 2.914 3.248 1.556 1.00 0.00 C ATOM 1365 O PRO A 94 3.963 3.661 1.062 1.00 0.00 O ATOM 1366 CB PRO A 94 1.605 4.711 3.120 1.00 0.00 C ATOM 1367 CG PRO A 94 2.476 5.897 3.355 1.00 0.00 C ATOM 1368 CD PRO A 94 3.644 5.399 4.161 1.00 0.00 C ATOM 0 HA PRO A 94 2.170 2.595 3.400 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.020 4.824 2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.897 4.571 3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.809 6.330 2.412 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.936 6.678 3.891 1.00 0.00 H new ATOM 0 HD2 PRO A 94 4.558 5.941 3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.474 5.519 5.231 1.00 0.00 H new ATOM 1376 N PHE A 95 2.020 2.542 0.872 1.00 0.00 N ATOM 1377 CA PHE A 95 2.226 2.203 -0.531 1.00 0.00 C ATOM 1378 C PHE A 95 1.423 3.131 -1.438 1.00 0.00 C ATOM 1379 O PHE A 95 0.337 3.583 -1.075 1.00 0.00 O ATOM 1380 CB PHE A 95 1.828 0.748 -0.791 1.00 0.00 C ATOM 1381 CG PHE A 95 2.461 -0.225 0.162 1.00 0.00 C ATOM 1382 CD1 PHE A 95 3.713 -0.758 -0.102 1.00 0.00 C ATOM 1383 CD2 PHE A 95 1.805 -0.607 1.321 1.00 0.00 C ATOM 1384 CE1 PHE A 95 4.298 -1.654 0.773 1.00 0.00 C ATOM 1385 CE2 PHE A 95 2.386 -1.502 2.199 1.00 0.00 C ATOM 1386 CZ PHE A 95 3.633 -2.027 1.924 1.00 0.00 C ATOM 0 H PHE A 95 1.146 2.194 1.266 1.00 0.00 H new ATOM 0 HA PHE A 95 3.285 2.328 -0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.744 0.658 -0.723 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.107 0.480 -1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.237 -0.470 -1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.829 -0.201 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.274 -2.062 0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.865 -1.791 3.100 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.087 -2.728 2.608 1.00 0.00 H new ATOM 1396 N GLN A 96 1.966 3.411 -2.619 1.00 0.00 N ATOM 1397 CA GLN A 96 1.300 4.286 -3.577 1.00 0.00 C ATOM 1398 C GLN A 96 1.202 3.619 -4.945 1.00 0.00 C ATOM 1399 O GLN A 96 2.123 2.927 -5.378 1.00 0.00 O ATOM 1400 CB GLN A 96 2.052 5.612 -3.695 1.00 0.00 C ATOM 1401 CG GLN A 96 1.593 6.663 -2.698 1.00 0.00 C ATOM 1402 CD GLN A 96 2.215 8.022 -2.953 1.00 0.00 C ATOM 1403 OE1 GLN A 96 1.542 9.050 -2.878 1.00 0.00 O ATOM 1404 NE2 GLN A 96 3.508 8.034 -3.257 1.00 0.00 N ATOM 0 H GLN A 96 2.864 3.045 -2.935 1.00 0.00 H new ATOM 0 HA GLN A 96 0.290 4.480 -3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.117 5.430 -3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.927 6.002 -4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.507 6.751 -2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.845 6.336 -1.689 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.028 7.158 -3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.981 8.919 -3.439 1.00 0.00 H new ATOM 1413 N PHE A 97 0.079 3.833 -5.623 1.00 0.00 N ATOM 1414 CA PHE A 97 -0.141 3.252 -6.942 1.00 0.00 C ATOM 1415 C PHE A 97 -1.131 4.089 -7.747 1.00 0.00 C ATOM 1416 O PHE A 97 -2.185 4.480 -7.243 1.00 0.00 O ATOM 1417 CB PHE A 97 -0.656 1.817 -6.812 1.00 0.00 C ATOM 1418 CG PHE A 97 -1.969 1.715 -6.090 1.00 0.00 C ATOM 1419 CD1 PHE A 97 -3.157 1.998 -6.744 1.00 0.00 C ATOM 1420 CD2 PHE A 97 -2.015 1.336 -4.758 1.00 0.00 C ATOM 1421 CE1 PHE A 97 -4.368 1.904 -6.084 1.00 0.00 C ATOM 1422 CE2 PHE A 97 -3.223 1.241 -4.093 1.00 0.00 C ATOM 1423 CZ PHE A 97 -4.401 1.526 -4.756 1.00 0.00 C ATOM 0 H PHE A 97 -0.693 4.405 -5.280 1.00 0.00 H new ATOM 0 HA PHE A 97 0.812 3.242 -7.470 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.763 1.386 -7.808 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.087 1.219 -6.284 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.137 2.296 -7.782 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.097 1.113 -4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.287 2.126 -6.606 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.246 0.944 -3.055 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.345 1.453 -4.237 1.00 0.00 H new ATOM 1433 N THR A 98 -0.785 4.361 -9.001 1.00 0.00 N ATOM 1434 CA THR A 98 -1.642 5.152 -9.876 1.00 0.00 C ATOM 1435 C THR A 98 -2.653 4.270 -10.599 1.00 0.00 C ATOM 1436 O THR A 98 -2.283 3.310 -11.274 1.00 0.00 O ATOM 1437 CB THR A 98 -0.815 5.928 -10.919 1.00 0.00 C ATOM 1438 OG1 THR A 98 0.246 6.639 -10.272 1.00 0.00 O ATOM 1439 CG2 THR A 98 -1.693 6.905 -11.686 1.00 0.00 C ATOM 0 H THR A 98 0.083 4.045 -9.434 1.00 0.00 H new ATOM 0 HA THR A 98 -2.172 5.862 -9.242 1.00 0.00 H new ATOM 0 HB THR A 98 -0.394 5.211 -11.624 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.768 7.128 -10.942 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.088 7.442 -12.417 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.483 6.358 -12.201 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.138 7.617 -10.991 1.00 0.00 H new ATOM 1447 N VAL A 99 -3.932 4.604 -10.455 1.00 0.00 N ATOM 1448 CA VAL A 99 -4.997 3.843 -11.096 1.00 0.00 C ATOM 1449 C VAL A 99 -5.413 4.484 -12.416 1.00 0.00 C ATOM 1450 O VAL A 99 -5.106 5.646 -12.677 1.00 0.00 O ATOM 1451 CB VAL A 99 -6.232 3.727 -10.183 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -7.260 2.785 -10.792 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -5.825 3.260 -8.794 1.00 0.00 C ATOM 0 H VAL A 99 -4.255 5.397 -9.900 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.601 2.846 -11.288 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.688 4.713 -10.091 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.125 2.716 -10.133 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.573 3.167 -11.763 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.819 1.796 -10.917 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.710 3.184 -8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.344 2.284 -8.865 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.129 3.977 -8.359 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.114 3.717 -13.245 1.00 0.00 N ATOM 1464 CA GLY A 100 -6.560 4.227 -14.528 1.00 0.00 C ATOM 1465 C GLY A 100 -8.015 4.652 -14.508 1.00 0.00 C ATOM 1466 O GLY A 100 -8.851 4.051 -13.833 1.00 0.00 O ATOM 0 H GLY A 100 -6.381 2.752 -13.051 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.940 5.077 -14.813 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.419 3.460 -15.290 1.00 0.00 H new