USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 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 28 CYS SG : rot 90:sc= -1.14 USER MOD Set 1.2: A 32 MET CE :methyl -141:sc= -0.294 (180deg=-1.02) USER MOD Set 2.1: A 24 MET CE :methyl 172:sc= -0.574 (180deg=-0.662) USER MOD Set 2.2: A 79 GLN :FLIP amide:sc= 0 F(o=-2.4,f=-0.57) USER MOD Single : A 23 THR OG1 : rot 41:sc= 1.21 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0417 USER MOD Single : A 34 ASN : amide:sc= -0.0771 X(o=-0.077,f=-0.0043) USER MOD Single : A 36 SER OG : rot 180:sc= 0.112 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -174:sc= -0.0365 (180deg=-0.187) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot -7:sc= 0.145 USER MOD Single : A 72 THR OG1 : rot 152:sc= 1.08 USER MOD Single : A 74 SER OG : rot -140:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0383 X(o=-0.038,f=-0.21) USER MOD Single : A 85 SER OG : rot 48:sc= 0.359 USER MOD Single : A 89 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 91 SER OG : rot 18:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 270 N GLY A 20 13.942 7.768 0.970 1.00 0.00 N ATOM 271 CA GLY A 20 13.803 7.595 -0.458 1.00 0.00 C ATOM 272 C GLY A 20 13.315 6.189 -0.721 1.00 0.00 C ATOM 273 O GLY A 20 12.113 5.903 -0.660 1.00 0.00 O ATOM 0 HA2 GLY A 20 13.099 8.323 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.758 7.765 -0.956 1.00 0.00 H new ATOM 277 N PHE A 21 14.278 5.313 -0.954 1.00 0.00 N ATOM 278 CA PHE A 21 14.114 3.885 -1.093 1.00 0.00 C ATOM 279 C PHE A 21 15.287 3.235 -0.344 1.00 0.00 C ATOM 280 O PHE A 21 16.268 3.925 -0.051 1.00 0.00 O ATOM 281 CB PHE A 21 14.118 3.536 -2.591 1.00 0.00 C ATOM 282 CG PHE A 21 12.835 3.823 -3.362 1.00 0.00 C ATOM 283 CD1 PHE A 21 12.520 5.132 -3.773 1.00 0.00 C ATOM 284 CD2 PHE A 21 11.969 2.771 -3.715 1.00 0.00 C ATOM 285 CE1 PHE A 21 11.328 5.393 -4.473 1.00 0.00 C ATOM 286 CE2 PHE A 21 10.773 3.028 -4.410 1.00 0.00 C ATOM 287 CZ PHE A 21 10.447 4.343 -4.784 1.00 0.00 C ATOM 0 H PHE A 21 15.251 5.602 -1.056 1.00 0.00 H new ATOM 0 HA PHE A 21 13.174 3.523 -0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 21 14.931 4.085 -3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.347 2.475 -2.693 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.198 5.942 -3.549 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.225 1.756 -3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.089 6.403 -4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.106 2.215 -4.656 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.524 4.546 -5.308 1.00 0.00 H new ATOM 297 N VAL A 22 15.216 1.944 -0.014 1.00 0.00 N ATOM 298 CA VAL A 22 16.358 1.195 0.521 1.00 0.00 C ATOM 299 C VAL A 22 16.256 -0.259 0.066 1.00 0.00 C ATOM 300 O VAL A 22 15.140 -0.734 -0.168 1.00 0.00 O ATOM 301 CB VAL A 22 16.374 1.333 2.059 1.00 0.00 C ATOM 302 CG1 VAL A 22 15.499 0.321 2.804 1.00 0.00 C ATOM 303 CG2 VAL A 22 17.798 1.314 2.624 1.00 0.00 C ATOM 0 H VAL A 22 14.367 1.387 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 22 17.301 1.593 0.145 1.00 0.00 H new ATOM 0 HB VAL A 22 15.928 2.311 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.574 0.496 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 22 14.462 0.436 2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.837 -0.690 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 22 17.760 1.414 3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 22 18.281 0.372 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 22 18.368 2.143 2.203 1.00 0.00 H new ATOM 313 N THR A 23 17.379 -0.974 -0.027 1.00 0.00 N ATOM 314 CA THR A 23 17.372 -2.384 -0.391 1.00 0.00 C ATOM 315 C THR A 23 16.801 -3.207 0.776 1.00 0.00 C ATOM 316 O THR A 23 16.990 -2.874 1.949 1.00 0.00 O ATOM 317 CB THR A 23 18.777 -2.815 -0.861 1.00 0.00 C ATOM 318 OG1 THR A 23 19.152 -2.169 -2.063 1.00 0.00 O ATOM 319 CG2 THR A 23 18.861 -4.310 -1.182 1.00 0.00 C ATOM 0 H THR A 23 18.309 -0.592 0.147 1.00 0.00 H new ATOM 0 HA THR A 23 16.715 -2.570 -1.241 1.00 0.00 H new ATOM 0 HB THR A 23 19.429 -2.550 -0.029 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.873 -1.230 -2.031 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.872 -4.556 -1.507 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.616 -4.888 -0.291 1.00 0.00 H new ATOM 0 HG23 THR A 23 18.155 -4.552 -1.977 1.00 0.00 H new ATOM 327 N MET A 24 16.147 -4.331 0.476 1.00 0.00 N ATOM 328 CA MET A 24 15.964 -5.422 1.410 1.00 0.00 C ATOM 329 C MET A 24 16.637 -6.660 0.851 1.00 0.00 C ATOM 330 O MET A 24 16.916 -6.770 -0.346 1.00 0.00 O ATOM 331 CB MET A 24 14.493 -5.721 1.687 1.00 0.00 C ATOM 332 CG MET A 24 13.674 -4.472 1.959 1.00 0.00 C ATOM 333 SD MET A 24 11.931 -4.795 2.305 1.00 0.00 S ATOM 334 CE MET A 24 12.108 -5.596 3.910 1.00 0.00 C ATOM 0 H MET A 24 15.727 -4.502 -0.438 1.00 0.00 H new ATOM 0 HA MET A 24 16.412 -5.127 2.359 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.068 -6.248 0.833 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.419 -6.391 2.544 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.110 -3.942 2.806 1.00 0.00 H new ATOM 0 HG3 MET A 24 13.746 -3.809 1.097 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.123 -5.744 4.353 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.597 -6.562 3.783 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.711 -4.968 4.566 1.00 0.00 H new ATOM 344 N ILE A 25 16.853 -7.604 1.750 1.00 0.00 N ATOM 345 CA ILE A 25 17.699 -8.769 1.556 1.00 0.00 C ATOM 346 C ILE A 25 16.811 -9.963 1.876 1.00 0.00 C ATOM 347 O ILE A 25 16.324 -10.087 3.001 1.00 0.00 O ATOM 348 CB ILE A 25 18.952 -8.660 2.463 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.796 -7.384 2.221 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.842 -9.914 2.389 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.403 -7.246 0.818 1.00 0.00 C ATOM 0 H ILE A 25 16.425 -7.579 2.676 1.00 0.00 H new ATOM 0 HA ILE A 25 18.089 -8.865 0.543 1.00 0.00 H new ATOM 0 HB ILE A 25 18.549 -8.582 3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.169 -6.513 2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.605 -7.361 2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.705 -9.787 3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.270 -10.785 2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.181 -10.059 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.973 -6.319 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 25 21.063 -8.091 0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.605 -7.230 0.076 1.00 0.00 H new ATOM 363 N LEU A 26 16.548 -10.797 0.872 1.00 0.00 N ATOM 364 CA LEU A 26 15.704 -11.977 0.993 1.00 0.00 C ATOM 365 C LEU A 26 16.577 -13.221 0.916 1.00 0.00 C ATOM 366 O LEU A 26 17.435 -13.309 0.031 1.00 0.00 O ATOM 367 CB LEU A 26 14.669 -11.994 -0.153 1.00 0.00 C ATOM 368 CG LEU A 26 13.209 -11.936 0.308 1.00 0.00 C ATOM 369 CD1 LEU A 26 12.873 -13.098 1.223 1.00 0.00 C ATOM 370 CD2 LEU A 26 12.882 -10.557 0.900 1.00 0.00 C ATOM 0 H LEU A 26 16.925 -10.666 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 26 15.178 -11.957 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.862 -11.148 -0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.815 -12.898 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 26 12.557 -12.054 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.830 -13.028 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.032 -14.037 0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.515 -13.066 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.841 -10.537 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.530 -10.366 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.043 -9.789 0.144 1.00 0.00 H new ATOM 382 N GLN A 27 16.331 -14.204 1.785 1.00 0.00 N ATOM 383 CA GLN A 27 17.115 -15.431 1.858 1.00 0.00 C ATOM 384 C GLN A 27 16.181 -16.633 1.960 1.00 0.00 C ATOM 385 O GLN A 27 15.288 -16.658 2.812 1.00 0.00 O ATOM 386 CB GLN A 27 18.070 -15.380 3.059 1.00 0.00 C ATOM 387 CG GLN A 27 18.938 -14.115 3.063 1.00 0.00 C ATOM 388 CD GLN A 27 20.130 -14.261 3.996 1.00 0.00 C ATOM 389 OE1 GLN A 27 20.018 -14.133 5.211 1.00 0.00 O ATOM 390 NE2 GLN A 27 21.306 -14.513 3.453 1.00 0.00 N ATOM 0 H GLN A 27 15.571 -14.166 2.465 1.00 0.00 H new ATOM 0 HA GLN A 27 17.713 -15.530 0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.491 -15.423 3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.714 -16.259 3.045 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.289 -13.910 2.052 1.00 0.00 H new ATOM 0 HG3 GLN A 27 18.336 -13.260 3.371 1.00 0.00 H new ATOM 0 HE21 GLN A 27 21.389 -14.618 2.442 1.00 0.00 H new ATOM 0 HE22 GLN A 27 22.132 -14.603 4.045 1.00 0.00 H new ATOM 399 N CYS A 28 16.395 -17.634 1.107 1.00 0.00 N ATOM 400 CA CYS A 28 15.615 -18.863 1.080 1.00 0.00 C ATOM 401 C CYS A 28 16.520 -20.050 1.399 1.00 0.00 C ATOM 402 O CYS A 28 17.689 -20.051 1.014 1.00 0.00 O ATOM 403 CB CYS A 28 14.937 -19.020 -0.290 1.00 0.00 C ATOM 404 SG CYS A 28 16.070 -18.732 -1.667 1.00 0.00 S ATOM 0 H CYS A 28 17.132 -17.609 0.402 1.00 0.00 H new ATOM 0 HA CYS A 28 14.832 -18.822 1.837 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.521 -20.024 -0.372 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.102 -18.322 -0.360 1.00 0.00 H new ATOM 0 HG CYS A 28 16.630 -19.854 -2.010 1.00 0.00 H new ATOM 410 N SER A 29 15.975 -21.081 2.045 1.00 0.00 N ATOM 411 CA SER A 29 16.705 -22.305 2.354 1.00 0.00 C ATOM 412 C SER A 29 16.729 -23.285 1.170 1.00 0.00 C ATOM 413 O SER A 29 17.102 -24.450 1.349 1.00 0.00 O ATOM 414 CB SER A 29 16.129 -22.924 3.632 1.00 0.00 C ATOM 415 OG SER A 29 14.743 -23.168 3.523 1.00 0.00 O ATOM 0 H SER A 29 15.008 -21.088 2.370 1.00 0.00 H new ATOM 0 HA SER A 29 17.752 -22.059 2.534 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.646 -23.859 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.315 -22.257 4.474 1.00 0.00 H new ATOM 0 HG SER A 29 14.414 -23.564 4.357 1.00 0.00 H new ATOM 421 N ILE A 30 16.339 -22.839 -0.027 1.00 0.00 N ATOM 422 CA ILE A 30 16.259 -23.620 -1.255 1.00 0.00 C ATOM 423 C ILE A 30 16.875 -22.795 -2.381 1.00 0.00 C ATOM 424 O ILE A 30 17.195 -21.619 -2.194 1.00 0.00 O ATOM 425 CB ILE A 30 14.798 -24.017 -1.584 1.00 0.00 C ATOM 426 CG1 ILE A 30 13.865 -22.796 -1.764 1.00 0.00 C ATOM 427 CG2 ILE A 30 14.261 -24.980 -0.516 1.00 0.00 C ATOM 428 CD1 ILE A 30 12.577 -23.130 -2.525 1.00 0.00 C ATOM 0 H ILE A 30 16.056 -21.869 -0.168 1.00 0.00 H new ATOM 0 HA ILE A 30 16.810 -24.553 -1.132 1.00 0.00 H new ATOM 0 HB ILE A 30 14.810 -24.526 -2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.607 -22.396 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.402 -22.012 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.233 -25.253 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.879 -25.878 -0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.289 -24.494 0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.966 -22.232 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 30 12.827 -23.503 -3.518 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.020 -23.893 -1.981 1.00 0.00 H new ATOM 440 N GLU A 31 17.030 -23.398 -3.554 1.00 0.00 N ATOM 441 CA GLU A 31 17.313 -22.664 -4.770 1.00 0.00 C ATOM 442 C GLU A 31 16.049 -21.960 -5.232 1.00 0.00 C ATOM 443 O GLU A 31 14.965 -22.540 -5.204 1.00 0.00 O ATOM 444 CB GLU A 31 17.853 -23.645 -5.819 1.00 0.00 C ATOM 445 CG GLU A 31 18.503 -22.930 -7.004 1.00 0.00 C ATOM 446 CD GLU A 31 19.038 -23.943 -8.009 1.00 0.00 C ATOM 447 OE1 GLU A 31 18.231 -24.490 -8.797 1.00 0.00 O ATOM 448 OE2 GLU A 31 20.262 -24.199 -7.998 1.00 0.00 O ATOM 0 H GLU A 31 16.962 -24.408 -3.683 1.00 0.00 H new ATOM 0 HA GLU A 31 18.071 -21.898 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.583 -24.307 -5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.038 -24.273 -6.179 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.775 -22.279 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.315 -22.294 -6.652 1.00 0.00 H new ATOM 455 N MET A 32 16.205 -20.733 -5.719 1.00 0.00 N ATOM 456 CA MET A 32 15.232 -20.078 -6.566 1.00 0.00 C ATOM 457 C MET A 32 15.676 -20.239 -8.024 1.00 0.00 C ATOM 458 O MET A 32 16.337 -19.343 -8.548 1.00 0.00 O ATOM 459 CB MET A 32 15.051 -18.606 -6.188 1.00 0.00 C ATOM 460 CG MET A 32 14.393 -18.430 -4.831 1.00 0.00 C ATOM 461 SD MET A 32 14.005 -16.700 -4.467 1.00 0.00 S ATOM 462 CE MET A 32 15.657 -16.045 -4.126 1.00 0.00 C ATOM 0 H MET A 32 17.028 -20.161 -5.529 1.00 0.00 H new ATOM 0 HA MET A 32 14.257 -20.545 -6.429 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.023 -18.113 -6.183 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.447 -18.111 -6.948 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.477 -19.019 -4.796 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.053 -18.821 -4.057 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.605 -15.339 -3.297 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.326 -16.864 -3.863 1.00 0.00 H new ATOM 0 HE3 MET A 32 16.037 -15.536 -5.012 1.00 0.00 H new ATOM 472 N PRO A 33 15.336 -21.340 -8.721 1.00 0.00 N ATOM 473 CA PRO A 33 15.570 -21.436 -10.160 1.00 0.00 C ATOM 474 C PRO A 33 14.833 -20.314 -10.908 1.00 0.00 C ATOM 475 O PRO A 33 15.257 -19.910 -11.995 1.00 0.00 O ATOM 476 CB PRO A 33 15.047 -22.820 -10.565 1.00 0.00 C ATOM 477 CG PRO A 33 13.998 -23.132 -9.506 1.00 0.00 C ATOM 478 CD PRO A 33 14.612 -22.511 -8.255 1.00 0.00 C ATOM 0 HA PRO A 33 16.624 -21.322 -10.412 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.615 -22.808 -11.566 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.844 -23.564 -10.571 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.031 -22.691 -9.748 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.839 -24.204 -9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.842 -22.236 -7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.280 -23.213 -7.755 1.00 0.00 H new ATOM 486 N ASN A 34 13.741 -19.798 -10.330 1.00 0.00 N ATOM 487 CA ASN A 34 12.971 -18.689 -10.853 1.00 0.00 C ATOM 488 C ASN A 34 12.659 -17.717 -9.738 1.00 0.00 C ATOM 489 O ASN A 34 12.265 -18.106 -8.638 1.00 0.00 O ATOM 490 CB ASN A 34 11.683 -19.146 -11.552 1.00 0.00 C ATOM 491 CG ASN A 34 10.861 -20.208 -10.843 1.00 0.00 C ATOM 492 OD1 ASN A 34 10.595 -21.277 -11.371 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.439 -19.954 -9.627 1.00 0.00 N ATOM 0 H ASN A 34 13.365 -20.162 -9.454 1.00 0.00 H new ATOM 0 HA ASN A 34 13.577 -18.193 -11.612 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.050 -18.272 -11.704 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.948 -19.524 -12.540 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.889 -20.649 -9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.661 -19.061 -9.186 1.00 0.00 H new ATOM 500 N ILE A 35 12.755 -16.440 -10.082 1.00 0.00 N ATOM 501 CA ILE A 35 12.481 -15.292 -9.227 1.00 0.00 C ATOM 502 C ILE A 35 11.059 -15.287 -8.654 1.00 0.00 C ATOM 503 O ILE A 35 10.790 -14.664 -7.628 1.00 0.00 O ATOM 504 CB ILE A 35 12.820 -14.024 -10.034 1.00 0.00 C ATOM 505 CG1 ILE A 35 12.768 -12.775 -9.140 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.947 -13.881 -11.297 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.554 -11.618 -9.754 1.00 0.00 C ATOM 0 H ILE A 35 13.043 -16.161 -11.020 1.00 0.00 H new ATOM 0 HA ILE A 35 13.109 -15.339 -8.337 1.00 0.00 H new ATOM 0 HB ILE A 35 13.844 -14.127 -10.392 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.731 -12.474 -8.992 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.175 -13.012 -8.157 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.225 -12.972 -11.830 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.101 -14.744 -11.945 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.897 -13.826 -11.009 1.00 0.00 H new ATOM 0 HD11 ILE A 35 13.497 -10.750 -9.097 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.596 -11.912 -9.878 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.130 -11.366 -10.726 1.00 0.00 H new ATOM 519 N SER A 36 10.133 -16.009 -9.286 1.00 0.00 N ATOM 520 CA SER A 36 8.752 -16.133 -8.851 1.00 0.00 C ATOM 521 C SER A 36 8.659 -16.602 -7.400 1.00 0.00 C ATOM 522 O SER A 36 7.765 -16.162 -6.692 1.00 0.00 O ATOM 523 CB SER A 36 8.020 -17.126 -9.758 1.00 0.00 C ATOM 524 OG SER A 36 8.603 -17.218 -11.049 1.00 0.00 O ATOM 0 H SER A 36 10.334 -16.535 -10.136 1.00 0.00 H new ATOM 0 HA SER A 36 8.287 -15.149 -8.917 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.024 -18.111 -9.290 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.977 -16.823 -9.855 1.00 0.00 H new ATOM 0 HG SER A 36 8.102 -17.865 -11.589 1.00 0.00 H new ATOM 530 N TYR A 37 9.592 -17.446 -6.939 1.00 0.00 N ATOM 531 CA TYR A 37 9.643 -17.924 -5.565 1.00 0.00 C ATOM 532 C TYR A 37 9.663 -16.763 -4.571 1.00 0.00 C ATOM 533 O TYR A 37 8.929 -16.799 -3.580 1.00 0.00 O ATOM 534 CB TYR A 37 10.882 -18.816 -5.396 1.00 0.00 C ATOM 535 CG TYR A 37 10.651 -20.275 -5.730 1.00 0.00 C ATOM 536 CD1 TYR A 37 9.721 -21.023 -4.984 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.370 -20.890 -6.773 1.00 0.00 C ATOM 538 CE1 TYR A 37 9.512 -22.381 -5.272 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.173 -22.255 -7.057 1.00 0.00 C ATOM 540 CZ TYR A 37 10.265 -23.011 -6.286 1.00 0.00 C ATOM 541 OH TYR A 37 10.009 -24.311 -6.592 1.00 0.00 O ATOM 0 H TYR A 37 10.340 -17.817 -7.525 1.00 0.00 H new ATOM 0 HA TYR A 37 8.745 -18.505 -5.355 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.681 -18.432 -6.031 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.230 -18.742 -4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.166 -20.550 -4.187 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.073 -20.314 -7.356 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.775 -22.944 -4.718 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.717 -22.723 -7.864 1.00 0.00 H new ATOM 0 HH TYR A 37 10.608 -24.602 -7.311 1.00 0.00 H new ATOM 551 N ALA A 38 10.480 -15.736 -4.830 1.00 0.00 N ATOM 552 CA ALA A 38 10.568 -14.576 -3.960 1.00 0.00 C ATOM 553 C ALA A 38 9.231 -13.851 -3.939 1.00 0.00 C ATOM 554 O ALA A 38 8.628 -13.719 -2.874 1.00 0.00 O ATOM 555 CB ALA A 38 11.693 -13.646 -4.413 1.00 0.00 C ATOM 0 H ALA A 38 11.092 -15.693 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 38 10.802 -14.905 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.742 -12.784 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.642 -14.181 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.499 -13.309 -5.431 1.00 0.00 H new ATOM 561 N TRP A 39 8.764 -13.428 -5.114 1.00 0.00 N ATOM 562 CA TRP A 39 7.513 -12.705 -5.284 1.00 0.00 C ATOM 563 C TRP A 39 6.352 -13.416 -4.604 1.00 0.00 C ATOM 564 O TRP A 39 5.607 -12.774 -3.872 1.00 0.00 O ATOM 565 CB TRP A 39 7.225 -12.570 -6.780 1.00 0.00 C ATOM 566 CG TRP A 39 8.013 -11.524 -7.486 1.00 0.00 C ATOM 567 CD1 TRP A 39 8.924 -11.731 -8.463 1.00 0.00 C ATOM 568 CD2 TRP A 39 7.893 -10.085 -7.324 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.361 -10.508 -8.932 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.714 -9.464 -8.311 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.151 -9.251 -6.456 1.00 0.00 C ATOM 572 CZ2 TRP A 39 8.740 -8.076 -8.482 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.141 -7.853 -6.658 1.00 0.00 C ATOM 574 CH2 TRP A 39 7.914 -7.286 -7.679 1.00 0.00 C ATOM 0 H TRP A 39 9.260 -13.584 -5.991 1.00 0.00 H new ATOM 0 HA TRP A 39 7.615 -11.724 -4.820 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.416 -13.531 -7.258 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.165 -12.354 -6.911 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.256 -12.695 -8.819 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.076 -10.392 -9.651 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.592 -9.683 -5.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.386 -7.624 -9.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.537 -7.221 -6.024 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.871 -6.220 -7.848 1.00 0.00 H new ATOM 585 N LYS A 40 6.210 -14.721 -4.843 1.00 0.00 N ATOM 586 CA LYS A 40 5.207 -15.584 -4.271 1.00 0.00 C ATOM 587 C LYS A 40 5.188 -15.440 -2.764 1.00 0.00 C ATOM 588 O LYS A 40 4.133 -15.162 -2.215 1.00 0.00 O ATOM 589 CB LYS A 40 5.554 -16.993 -4.728 1.00 0.00 C ATOM 590 CG LYS A 40 4.717 -18.081 -4.076 1.00 0.00 C ATOM 591 CD LYS A 40 5.201 -19.388 -4.684 1.00 0.00 C ATOM 592 CE LYS A 40 4.564 -20.547 -3.943 1.00 0.00 C ATOM 593 NZ LYS A 40 5.305 -21.806 -4.180 1.00 0.00 N ATOM 0 H LYS A 40 6.833 -15.220 -5.478 1.00 0.00 H new ATOM 0 HA LYS A 40 4.200 -15.327 -4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.430 -17.053 -5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.606 -17.183 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.847 -18.080 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.655 -17.928 -4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.941 -19.430 -5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.287 -19.453 -4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.541 -20.331 -2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.530 -20.664 -4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.847 -22.582 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.305 -22.023 -5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.285 -21.700 -3.849 1.00 0.00 H new ATOM 607 N GLU A 41 6.324 -15.631 -2.090 1.00 0.00 N ATOM 608 CA GLU A 41 6.300 -15.625 -0.635 1.00 0.00 C ATOM 609 C GLU A 41 6.002 -14.219 -0.131 1.00 0.00 C ATOM 610 O GLU A 41 5.234 -14.042 0.811 1.00 0.00 O ATOM 611 CB GLU A 41 7.626 -16.114 -0.046 1.00 0.00 C ATOM 612 CG GLU A 41 7.352 -16.781 1.310 1.00 0.00 C ATOM 613 CD GLU A 41 6.866 -18.233 1.201 1.00 0.00 C ATOM 614 OE1 GLU A 41 6.895 -18.842 0.103 1.00 0.00 O ATOM 615 OE2 GLU A 41 6.538 -18.818 2.256 1.00 0.00 O ATOM 0 H GLU A 41 7.239 -15.786 -2.514 1.00 0.00 H new ATOM 0 HA GLU A 41 5.516 -16.309 -0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.102 -16.822 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.315 -15.278 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.264 -16.757 1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.604 -16.197 1.847 1.00 0.00 H new ATOM 622 N LEU A 42 6.614 -13.210 -0.759 1.00 0.00 N ATOM 623 CA LEU A 42 6.435 -11.827 -0.378 1.00 0.00 C ATOM 624 C LEU A 42 4.965 -11.409 -0.461 1.00 0.00 C ATOM 625 O LEU A 42 4.480 -10.733 0.444 1.00 0.00 O ATOM 626 CB LEU A 42 7.379 -10.989 -1.254 1.00 0.00 C ATOM 627 CG LEU A 42 8.034 -9.773 -0.583 1.00 0.00 C ATOM 628 CD1 LEU A 42 8.482 -9.982 0.876 1.00 0.00 C ATOM 629 CD2 LEU A 42 9.306 -9.469 -1.376 1.00 0.00 C ATOM 0 H LEU A 42 7.248 -13.342 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 42 6.697 -11.664 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.169 -11.641 -1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.820 -10.640 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 42 7.281 -8.985 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.931 -9.063 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.618 -10.242 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.214 -10.788 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.811 -8.609 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.969 -10.334 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.045 -9.248 -2.411 1.00 0.00 H new ATOM 641 N LYS A 43 4.254 -11.861 -1.499 1.00 0.00 N ATOM 642 CA LYS A 43 2.809 -11.722 -1.624 1.00 0.00 C ATOM 643 C LYS A 43 2.097 -12.525 -0.542 1.00 0.00 C ATOM 644 O LYS A 43 1.340 -11.940 0.224 1.00 0.00 O ATOM 645 CB LYS A 43 2.339 -12.178 -3.012 1.00 0.00 C ATOM 646 CG LYS A 43 2.719 -11.193 -4.128 1.00 0.00 C ATOM 647 CD LYS A 43 2.354 -11.816 -5.476 1.00 0.00 C ATOM 648 CE LYS A 43 2.558 -10.766 -6.560 1.00 0.00 C ATOM 649 NZ LYS A 43 1.808 -11.084 -7.784 1.00 0.00 N ATOM 0 H LYS A 43 4.681 -12.343 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 43 2.559 -10.668 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.771 -13.154 -3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.256 -12.304 -3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.193 -10.248 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.786 -10.972 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.976 -12.689 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.319 -12.158 -5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.243 -9.792 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.620 -10.689 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.975 -10.344 -8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.126 -12.001 -8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.792 -11.132 -7.566 1.00 0.00 H new ATOM 663 N GLU A 44 2.337 -13.833 -0.443 1.00 0.00 N ATOM 664 CA GLU A 44 1.566 -14.710 0.434 1.00 0.00 C ATOM 665 C GLU A 44 1.646 -14.264 1.895 1.00 0.00 C ATOM 666 O GLU A 44 0.706 -14.483 2.666 1.00 0.00 O ATOM 667 CB GLU A 44 2.036 -16.167 0.272 1.00 0.00 C ATOM 668 CG GLU A 44 0.883 -17.175 0.173 1.00 0.00 C ATOM 669 CD GLU A 44 0.019 -16.969 -1.077 1.00 0.00 C ATOM 670 OE1 GLU A 44 0.456 -17.355 -2.186 1.00 0.00 O ATOM 671 OE2 GLU A 44 -1.110 -16.430 -0.943 1.00 0.00 O ATOM 0 H GLU A 44 3.069 -14.312 -0.967 1.00 0.00 H new ATOM 0 HA GLU A 44 0.519 -14.646 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.653 -16.244 -0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.669 -16.433 1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.290 -18.186 0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.256 -17.091 1.060 1.00 0.00 H new ATOM 678 N GLN A 45 2.751 -13.622 2.284 1.00 0.00 N ATOM 679 CA GLN A 45 2.843 -12.907 3.541 1.00 0.00 C ATOM 680 C GLN A 45 2.068 -11.582 3.457 1.00 0.00 C ATOM 681 O GLN A 45 1.017 -11.482 4.088 1.00 0.00 O ATOM 682 CB GLN A 45 4.313 -12.742 3.965 1.00 0.00 C ATOM 683 CG GLN A 45 5.000 -14.091 4.262 1.00 0.00 C ATOM 684 CD GLN A 45 4.289 -14.949 5.307 1.00 0.00 C ATOM 685 OE1 GLN A 45 3.965 -16.115 5.071 1.00 0.00 O ATOM 686 NE2 GLN A 45 4.057 -14.416 6.499 1.00 0.00 N ATOM 0 H GLN A 45 3.605 -13.589 1.727 1.00 0.00 H new ATOM 0 HA GLN A 45 2.369 -13.489 4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.859 -12.226 3.175 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.363 -12.110 4.852 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.074 -14.658 3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.018 -13.899 4.600 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.328 -13.451 6.687 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.608 -14.971 7.227 1.00 0.00 H new ATOM 695 N LEU A 46 2.570 -10.584 2.723 1.00 0.00 N ATOM 696 CA LEU A 46 2.220 -9.167 2.878 1.00 0.00 C ATOM 697 C LEU A 46 0.958 -8.731 2.114 1.00 0.00 C ATOM 698 O LEU A 46 0.479 -7.620 2.356 1.00 0.00 O ATOM 699 CB LEU A 46 3.396 -8.311 2.369 1.00 0.00 C ATOM 700 CG LEU A 46 4.752 -8.511 3.084 1.00 0.00 C ATOM 701 CD1 LEU A 46 5.862 -7.942 2.209 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.737 -7.887 4.476 1.00 0.00 C ATOM 0 H LEU A 46 3.252 -10.744 1.982 1.00 0.00 H new ATOM 0 HA LEU A 46 2.014 -9.023 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.535 -8.518 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.116 -7.261 2.454 1.00 0.00 H new ATOM 0 HG LEU A 46 4.937 -9.575 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.823 -8.079 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.872 -8.461 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.687 -6.879 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.704 -8.043 4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.541 -6.818 4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.955 -8.354 5.075 1.00 0.00 H new ATOM 714 N GLY A 47 0.421 -9.543 1.211 1.00 0.00 N ATOM 715 CA GLY A 47 -0.655 -9.213 0.281 1.00 0.00 C ATOM 716 C GLY A 47 -0.123 -9.130 -1.152 1.00 0.00 C ATOM 717 O GLY A 47 1.042 -8.797 -1.376 1.00 0.00 O ATOM 0 H GLY A 47 0.743 -10.505 1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.439 -9.968 0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.107 -8.262 0.562 1.00 0.00 H new ATOM 721 N GLU A 48 -0.977 -9.422 -2.134 1.00 0.00 N ATOM 722 CA GLU A 48 -0.612 -9.673 -3.517 1.00 0.00 C ATOM 723 C GLU A 48 -0.122 -8.416 -4.253 1.00 0.00 C ATOM 724 O GLU A 48 0.595 -8.506 -5.258 1.00 0.00 O ATOM 725 CB GLU A 48 -1.833 -10.264 -4.232 1.00 0.00 C ATOM 726 CG GLU A 48 -1.800 -11.795 -4.242 1.00 0.00 C ATOM 727 CD GLU A 48 -2.873 -12.382 -5.160 1.00 0.00 C ATOM 728 OE1 GLU A 48 -2.732 -12.255 -6.399 1.00 0.00 O ATOM 729 OE2 GLU A 48 -3.856 -12.977 -4.674 1.00 0.00 O ATOM 0 H GLU A 48 -1.982 -9.491 -1.974 1.00 0.00 H new ATOM 0 HA GLU A 48 0.226 -10.369 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.743 -9.923 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.868 -9.894 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.817 -12.135 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.946 -12.168 -3.228 1.00 0.00 H new ATOM 736 N GLU A 49 -0.478 -7.232 -3.761 1.00 0.00 N ATOM 737 CA GLU A 49 -0.218 -5.958 -4.402 1.00 0.00 C ATOM 738 C GLU A 49 1.057 -5.377 -3.805 1.00 0.00 C ATOM 739 O GLU A 49 1.066 -4.389 -3.062 1.00 0.00 O ATOM 740 CB GLU A 49 -1.423 -5.006 -4.271 1.00 0.00 C ATOM 741 CG GLU A 49 -2.545 -5.278 -5.279 1.00 0.00 C ATOM 742 CD GLU A 49 -3.235 -6.629 -5.089 1.00 0.00 C ATOM 743 OE1 GLU A 49 -3.646 -6.943 -3.948 1.00 0.00 O ATOM 744 OE2 GLU A 49 -3.362 -7.363 -6.103 1.00 0.00 O ATOM 0 H GLU A 49 -0.972 -7.136 -2.874 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.073 -6.098 -5.473 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.828 -5.086 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.077 -3.980 -4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.290 -4.486 -5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.134 -5.230 -6.287 1.00 0.00 H new ATOM 751 N ILE A 50 2.148 -6.062 -4.112 1.00 0.00 N ATOM 752 CA ILE A 50 3.499 -5.697 -3.730 1.00 0.00 C ATOM 753 C ILE A 50 4.308 -5.167 -4.920 1.00 0.00 C ATOM 754 O ILE A 50 5.319 -4.490 -4.737 1.00 0.00 O ATOM 755 CB ILE A 50 4.114 -6.912 -3.029 1.00 0.00 C ATOM 756 CG1 ILE A 50 5.392 -6.493 -2.283 1.00 0.00 C ATOM 757 CG2 ILE A 50 4.358 -8.119 -3.946 1.00 0.00 C ATOM 758 CD1 ILE A 50 5.119 -6.606 -0.789 1.00 0.00 C ATOM 0 H ILE A 50 2.112 -6.923 -4.657 1.00 0.00 H new ATOM 0 HA ILE A 50 3.502 -4.859 -3.033 1.00 0.00 H new ATOM 0 HB ILE A 50 3.373 -7.264 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.227 -7.133 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.669 -5.472 -2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.795 -8.933 -3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.411 -8.447 -4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.041 -7.835 -4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.010 -6.314 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.292 -5.949 -0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.859 -7.636 -0.543 1.00 0.00 H new ATOM 770 N ASP A 51 3.829 -5.382 -6.147 1.00 0.00 N ATOM 771 CA ASP A 51 4.440 -4.918 -7.398 1.00 0.00 C ATOM 772 C ASP A 51 4.574 -3.389 -7.495 1.00 0.00 C ATOM 773 O ASP A 51 5.254 -2.877 -8.382 1.00 0.00 O ATOM 774 CB ASP A 51 3.657 -5.477 -8.596 1.00 0.00 C ATOM 775 CG ASP A 51 2.206 -4.983 -8.636 1.00 0.00 C ATOM 776 OD1 ASP A 51 1.949 -3.788 -8.903 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.308 -5.801 -8.327 1.00 0.00 O ATOM 0 H ASP A 51 2.968 -5.906 -6.305 1.00 0.00 H new ATOM 0 HA ASP A 51 5.461 -5.300 -7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.160 -5.190 -9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.665 -6.566 -8.554 1.00 0.00 H new ATOM 782 N SER A 52 3.987 -2.642 -6.563 1.00 0.00 N ATOM 783 CA SER A 52 4.177 -1.210 -6.417 1.00 0.00 C ATOM 784 C SER A 52 5.457 -0.892 -5.653 1.00 0.00 C ATOM 785 O SER A 52 6.224 -0.011 -6.048 1.00 0.00 O ATOM 786 CB SER A 52 2.998 -0.627 -5.672 1.00 0.00 C ATOM 787 OG SER A 52 1.829 -0.587 -6.461 1.00 0.00 O ATOM 0 H SER A 52 3.348 -3.033 -5.870 1.00 0.00 H new ATOM 0 HA SER A 52 4.256 -0.773 -7.413 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.809 -1.219 -4.777 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.244 0.382 -5.341 1.00 0.00 H new ATOM 0 HG SER A 52 1.094 -0.205 -5.938 1.00 0.00 H new ATOM 793 N LYS A 53 5.670 -1.560 -4.519 1.00 0.00 N ATOM 794 CA LYS A 53 6.634 -1.152 -3.504 1.00 0.00 C ATOM 795 C LYS A 53 7.979 -1.859 -3.718 1.00 0.00 C ATOM 796 O LYS A 53 8.612 -2.282 -2.756 1.00 0.00 O ATOM 797 CB LYS A 53 6.041 -1.402 -2.106 1.00 0.00 C ATOM 798 CG LYS A 53 4.906 -0.450 -1.676 1.00 0.00 C ATOM 799 CD LYS A 53 3.470 -0.962 -1.908 1.00 0.00 C ATOM 800 CE LYS A 53 2.610 -0.641 -0.673 1.00 0.00 C ATOM 801 NZ LYS A 53 1.248 -1.216 -0.722 1.00 0.00 N ATOM 0 H LYS A 53 5.167 -2.414 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 53 6.835 -0.084 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.665 -2.424 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.845 -1.332 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.025 -0.230 -0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.026 0.492 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.043 -0.493 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.480 -2.037 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.118 -1.012 0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.533 0.441 -0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.731 -0.957 0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.744 -0.844 -1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.311 -2.252 -0.791 1.00 0.00 H new ATOM 815 N VAL A 54 8.411 -1.971 -4.967 1.00 0.00 N ATOM 816 CA VAL A 54 9.651 -2.585 -5.426 1.00 0.00 C ATOM 817 C VAL A 54 10.361 -1.684 -6.442 1.00 0.00 C ATOM 818 O VAL A 54 9.723 -0.951 -7.204 1.00 0.00 O ATOM 819 CB VAL A 54 9.290 -3.932 -6.090 1.00 0.00 C ATOM 820 CG1 VAL A 54 8.092 -3.799 -7.030 1.00 0.00 C ATOM 821 CG2 VAL A 54 10.462 -4.567 -6.858 1.00 0.00 C ATOM 0 H VAL A 54 7.862 -1.607 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 54 10.325 -2.734 -4.582 1.00 0.00 H new ATOM 0 HB VAL A 54 9.034 -4.593 -5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.871 -4.768 -7.477 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.225 -3.452 -6.468 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.325 -3.082 -7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.139 -5.510 -7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.789 -3.890 -7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.289 -4.751 -6.172 1.00 0.00 H new ATOM 831 N LYS A 55 11.674 -1.856 -6.560 1.00 0.00 N ATOM 832 CA LYS A 55 12.550 -1.424 -7.638 1.00 0.00 C ATOM 833 C LYS A 55 13.519 -2.573 -7.884 1.00 0.00 C ATOM 834 O LYS A 55 13.931 -3.213 -6.921 1.00 0.00 O ATOM 835 CB LYS A 55 13.400 -0.249 -7.160 1.00 0.00 C ATOM 836 CG LYS A 55 12.660 0.917 -6.501 1.00 0.00 C ATOM 837 CD LYS A 55 12.363 2.108 -7.420 1.00 0.00 C ATOM 838 CE LYS A 55 10.975 2.030 -8.036 1.00 0.00 C ATOM 839 NZ LYS A 55 10.699 3.204 -8.886 1.00 0.00 N ATOM 0 H LYS A 55 12.197 -2.347 -5.835 1.00 0.00 H new ATOM 0 HA LYS A 55 11.968 -1.146 -8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.135 -0.629 -6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.953 0.140 -8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.718 0.546 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.251 1.270 -5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.454 3.034 -6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.109 2.146 -8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.889 1.120 -8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.227 1.967 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.745 3.122 -9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.758 4.069 -8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.399 3.249 -9.654 1.00 0.00 H new ATOM 853 N GLY A 56 13.904 -2.797 -9.133 1.00 0.00 N ATOM 854 CA GLY A 56 15.110 -3.518 -9.520 1.00 0.00 C ATOM 855 C GLY A 56 15.387 -4.813 -8.756 1.00 0.00 C ATOM 856 O GLY A 56 16.461 -4.949 -8.171 1.00 0.00 O ATOM 0 H GLY A 56 13.365 -2.469 -9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.045 -3.752 -10.582 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.964 -2.853 -9.392 1.00 0.00 H new ATOM 860 N MET A 57 14.454 -5.770 -8.760 1.00 0.00 N ATOM 861 CA MET A 57 14.657 -7.040 -8.069 1.00 0.00 C ATOM 862 C MET A 57 15.701 -7.888 -8.810 1.00 0.00 C ATOM 863 O MET A 57 15.396 -8.450 -9.871 1.00 0.00 O ATOM 864 CB MET A 57 13.319 -7.771 -7.850 1.00 0.00 C ATOM 865 CG MET A 57 13.472 -8.929 -6.850 1.00 0.00 C ATOM 866 SD MET A 57 12.058 -10.058 -6.727 1.00 0.00 S ATOM 867 CE MET A 57 10.926 -9.055 -5.728 1.00 0.00 C ATOM 0 H MET A 57 13.554 -5.687 -9.234 1.00 0.00 H new ATOM 0 HA MET A 57 15.058 -6.848 -7.074 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.573 -7.066 -7.482 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.952 -8.156 -8.802 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.353 -9.509 -7.126 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.664 -8.509 -5.863 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.047 -9.646 -5.470 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.430 -8.738 -4.815 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.619 -8.177 -6.297 1.00 0.00 H new ATOM 877 N VAL A 58 16.910 -7.993 -8.250 1.00 0.00 N ATOM 878 CA VAL A 58 18.036 -8.765 -8.772 1.00 0.00 C ATOM 879 C VAL A 58 18.384 -9.884 -7.784 1.00 0.00 C ATOM 880 O VAL A 58 18.180 -9.744 -6.577 1.00 0.00 O ATOM 881 CB VAL A 58 19.240 -7.867 -9.127 1.00 0.00 C ATOM 882 CG1 VAL A 58 18.873 -6.890 -10.253 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.823 -7.117 -7.922 1.00 0.00 C ATOM 0 H VAL A 58 17.139 -7.517 -7.377 1.00 0.00 H new ATOM 0 HA VAL A 58 17.747 -9.229 -9.715 1.00 0.00 H new ATOM 0 HB VAL A 58 20.027 -8.536 -9.474 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.735 -6.266 -10.489 1.00 0.00 H new ATOM 0 HG12 VAL A 58 18.578 -7.451 -11.140 1.00 0.00 H new ATOM 0 HG13 VAL A 58 18.045 -6.258 -9.931 1.00 0.00 H new ATOM 0 HG21 VAL A 58 20.665 -6.506 -8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 58 19.056 -6.476 -7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 58 20.162 -7.835 -7.176 1.00 0.00 H new ATOM 893 N PHE A 59 18.885 -11.018 -8.279 1.00 0.00 N ATOM 894 CA PHE A 59 19.361 -12.106 -7.424 1.00 0.00 C ATOM 895 C PHE A 59 20.525 -11.629 -6.564 1.00 0.00 C ATOM 896 O PHE A 59 21.250 -10.708 -6.941 1.00 0.00 O ATOM 897 CB PHE A 59 19.771 -13.304 -8.289 1.00 0.00 C ATOM 898 CG PHE A 59 18.663 -14.300 -8.534 1.00 0.00 C ATOM 899 CD1 PHE A 59 17.734 -14.085 -9.565 1.00 0.00 C ATOM 900 CD2 PHE A 59 18.560 -15.450 -7.732 1.00 0.00 C ATOM 901 CE1 PHE A 59 16.716 -15.019 -9.808 1.00 0.00 C ATOM 902 CE2 PHE A 59 17.555 -16.397 -7.992 1.00 0.00 C ATOM 903 CZ PHE A 59 16.632 -16.186 -9.035 1.00 0.00 C ATOM 0 H PHE A 59 18.972 -11.207 -9.278 1.00 0.00 H new ATOM 0 HA PHE A 59 18.557 -12.420 -6.759 1.00 0.00 H new ATOM 0 HB2 PHE A 59 20.133 -12.937 -9.249 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.605 -13.816 -7.809 1.00 0.00 H new ATOM 0 HD1 PHE A 59 17.804 -13.196 -10.174 1.00 0.00 H new ATOM 0 HD2 PHE A 59 19.252 -15.605 -6.918 1.00 0.00 H new ATOM 0 HE1 PHE A 59 15.995 -14.839 -10.592 1.00 0.00 H new ATOM 0 HE2 PHE A 59 17.490 -17.291 -7.389 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.865 -16.918 -9.238 1.00 0.00 H new ATOM 913 N LEU A 60 20.727 -12.283 -5.420 1.00 0.00 N ATOM 914 CA LEU A 60 21.942 -12.141 -4.627 1.00 0.00 C ATOM 915 C LEU A 60 22.976 -13.146 -5.129 1.00 0.00 C ATOM 916 O LEU A 60 22.655 -14.002 -5.962 1.00 0.00 O ATOM 917 CB LEU A 60 21.612 -12.359 -3.135 1.00 0.00 C ATOM 918 CG LEU A 60 20.892 -11.143 -2.521 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.325 -11.484 -1.141 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.832 -9.942 -2.343 1.00 0.00 C ATOM 0 H LEU A 60 20.047 -12.929 -5.018 1.00 0.00 H new ATOM 0 HA LEU A 60 22.356 -11.138 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 60 20.985 -13.244 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.533 -12.552 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 60 20.094 -10.884 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 60 19.822 -10.610 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 60 19.612 -12.303 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 60 21.137 -11.782 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.280 -9.109 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.654 -10.218 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 60 22.231 -9.645 -3.313 1.00 0.00 H new ATOM 932 N LYS A 61 24.196 -13.091 -4.588 1.00 0.00 N ATOM 933 CA LYS A 61 25.261 -14.079 -4.775 1.00 0.00 C ATOM 934 C LYS A 61 24.668 -15.483 -4.640 1.00 0.00 C ATOM 935 O LYS A 61 23.928 -15.743 -3.688 1.00 0.00 O ATOM 936 CB LYS A 61 26.336 -13.826 -3.706 1.00 0.00 C ATOM 937 CG LYS A 61 27.533 -14.799 -3.756 1.00 0.00 C ATOM 938 CD LYS A 61 28.079 -15.022 -2.341 1.00 0.00 C ATOM 939 CE LYS A 61 29.200 -16.065 -2.300 1.00 0.00 C ATOM 940 NZ LYS A 61 29.418 -16.545 -0.920 1.00 0.00 N ATOM 0 H LYS A 61 24.481 -12.322 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 61 25.712 -13.994 -5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.708 -12.807 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 61 25.873 -13.891 -2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.223 -15.750 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 61 28.315 -14.395 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 61 28.452 -14.077 -1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 61 27.267 -15.341 -1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 61 28.945 -16.905 -2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.121 -15.631 -2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.182 -17.251 -0.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 29.683 -15.744 -0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 28.543 -16.978 -0.561 1.00 0.00 H new ATOM 954 N GLY A 62 24.942 -16.362 -5.601 1.00 0.00 N ATOM 955 CA GLY A 62 24.332 -17.680 -5.677 1.00 0.00 C ATOM 956 C GLY A 62 22.956 -17.617 -6.328 1.00 0.00 C ATOM 957 O GLY A 62 22.689 -16.746 -7.159 1.00 0.00 O ATOM 0 H GLY A 62 25.602 -16.174 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.976 -18.349 -6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.244 -18.100 -4.675 1.00 0.00 H new ATOM 961 N LYS A 63 22.090 -18.572 -5.991 1.00 0.00 N ATOM 962 CA LYS A 63 20.698 -18.641 -6.446 1.00 0.00 C ATOM 963 C LYS A 63 19.749 -18.804 -5.250 1.00 0.00 C ATOM 964 O LYS A 63 18.604 -19.213 -5.429 1.00 0.00 O ATOM 965 CB LYS A 63 20.559 -19.780 -7.480 1.00 0.00 C ATOM 966 CG LYS A 63 20.949 -19.380 -8.913 1.00 0.00 C ATOM 967 CD LYS A 63 19.826 -18.585 -9.601 1.00 0.00 C ATOM 968 CE LYS A 63 20.096 -18.394 -11.099 1.00 0.00 C ATOM 969 NZ LYS A 63 18.902 -17.888 -11.814 1.00 0.00 N ATOM 0 H LYS A 63 22.344 -19.344 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 63 20.416 -17.710 -6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.181 -20.618 -7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 63 19.527 -20.131 -7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 63 21.859 -18.781 -8.890 1.00 0.00 H new ATOM 0 HG3 LYS A 63 21.171 -20.275 -9.494 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.878 -19.105 -9.466 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.726 -17.611 -9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.923 -17.696 -11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.406 -19.343 -11.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.125 -17.772 -12.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.120 -18.566 -11.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.621 -16.970 -11.414 1.00 0.00 H new ATOM 983 N LEU A 64 20.216 -18.538 -4.027 1.00 0.00 N ATOM 984 CA LEU A 64 19.539 -18.867 -2.772 1.00 0.00 C ATOM 985 C LEU A 64 19.099 -17.584 -2.034 1.00 0.00 C ATOM 986 O LEU A 64 18.850 -17.610 -0.824 1.00 0.00 O ATOM 987 CB LEU A 64 20.409 -19.789 -1.886 1.00 0.00 C ATOM 988 CG LEU A 64 21.249 -20.884 -2.589 1.00 0.00 C ATOM 989 CD1 LEU A 64 22.010 -21.734 -1.568 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.425 -21.836 -3.450 1.00 0.00 C ATOM 0 H LEU A 64 21.110 -18.070 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 64 18.635 -19.428 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.091 -19.159 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 64 19.752 -20.280 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 64 21.931 -20.334 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.591 -22.495 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.680 -21.097 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 64 21.301 -22.217 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 64 21.083 -22.574 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 64 19.688 -22.344 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 64 19.914 -21.271 -4.230 1.00 0.00 H new ATOM 1002 N GLY A 65 19.015 -16.448 -2.734 1.00 0.00 N ATOM 1003 CA GLY A 65 18.529 -15.186 -2.205 1.00 0.00 C ATOM 1004 C GLY A 65 18.291 -14.169 -3.322 1.00 0.00 C ATOM 1005 O GLY A 65 18.678 -14.374 -4.477 1.00 0.00 O ATOM 0 H GLY A 65 19.294 -16.388 -3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.601 -15.352 -1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.251 -14.785 -1.494 1.00 0.00 H new ATOM 1009 N VAL A 66 17.657 -13.048 -2.985 1.00 0.00 N ATOM 1010 CA VAL A 66 17.351 -11.963 -3.916 1.00 0.00 C ATOM 1011 C VAL A 66 17.345 -10.644 -3.132 1.00 0.00 C ATOM 1012 O VAL A 66 17.262 -10.656 -1.901 1.00 0.00 O ATOM 1013 CB VAL A 66 16.018 -12.292 -4.633 1.00 0.00 C ATOM 1014 CG1 VAL A 66 14.795 -12.113 -3.731 1.00 0.00 C ATOM 1015 CG2 VAL A 66 15.774 -11.549 -5.948 1.00 0.00 C ATOM 0 H VAL A 66 17.334 -12.864 -2.035 1.00 0.00 H new ATOM 0 HA VAL A 66 18.101 -11.854 -4.700 1.00 0.00 H new ATOM 0 HB VAL A 66 16.145 -13.345 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.892 -12.358 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.879 -12.774 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.742 -11.079 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.814 -11.853 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.765 -10.475 -5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 66 16.569 -11.789 -6.654 1.00 0.00 H new ATOM 1025 N CYS A 67 17.445 -9.512 -3.819 1.00 0.00 N ATOM 1026 CA CYS A 67 17.390 -8.185 -3.230 1.00 0.00 C ATOM 1027 C CYS A 67 16.656 -7.248 -4.185 1.00 0.00 C ATOM 1028 O CYS A 67 16.609 -7.490 -5.394 1.00 0.00 O ATOM 1029 CB CYS A 67 18.805 -7.682 -2.930 1.00 0.00 C ATOM 1030 SG CYS A 67 19.880 -7.909 -4.373 1.00 0.00 S ATOM 0 H CYS A 67 17.570 -9.495 -4.831 1.00 0.00 H new ATOM 0 HA CYS A 67 16.846 -8.218 -2.286 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.772 -6.627 -2.656 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.215 -8.220 -2.076 1.00 0.00 H new ATOM 0 HG CYS A 67 19.247 -8.587 -5.283 1.00 0.00 H new ATOM 1036 N PHE A 68 16.080 -6.183 -3.644 1.00 0.00 N ATOM 1037 CA PHE A 68 15.302 -5.175 -4.358 1.00 0.00 C ATOM 1038 C PHE A 68 15.225 -3.945 -3.462 1.00 0.00 C ATOM 1039 O PHE A 68 15.322 -4.100 -2.242 1.00 0.00 O ATOM 1040 CB PHE A 68 13.892 -5.705 -4.714 1.00 0.00 C ATOM 1041 CG PHE A 68 12.955 -6.062 -3.576 1.00 0.00 C ATOM 1042 CD1 PHE A 68 13.351 -7.010 -2.616 1.00 0.00 C ATOM 1043 CD2 PHE A 68 11.677 -5.470 -3.483 1.00 0.00 C ATOM 1044 CE1 PHE A 68 12.581 -7.205 -1.463 1.00 0.00 C ATOM 1045 CE2 PHE A 68 10.868 -5.745 -2.368 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.352 -6.547 -1.326 1.00 0.00 C ATOM 0 H PHE A 68 16.145 -5.987 -2.645 1.00 0.00 H new ATOM 0 HA PHE A 68 15.781 -4.923 -5.304 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.398 -4.952 -5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 68 14.016 -6.592 -5.335 1.00 0.00 H new ATOM 0 HD1 PHE A 68 14.250 -7.588 -2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.324 -4.811 -4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.934 -7.861 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.870 -5.337 -2.314 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.778 -6.658 -0.418 1.00 0.00 H new ATOM 1056 N ASP A 69 15.049 -2.754 -4.037 1.00 0.00 N ATOM 1057 CA ASP A 69 14.880 -1.530 -3.250 1.00 0.00 C ATOM 1058 C ASP A 69 13.382 -1.289 -3.088 1.00 0.00 C ATOM 1059 O ASP A 69 12.600 -1.627 -3.982 1.00 0.00 O ATOM 1060 CB ASP A 69 15.592 -0.290 -3.833 1.00 0.00 C ATOM 1061 CG ASP A 69 17.119 -0.295 -3.784 1.00 0.00 C ATOM 1062 OD1 ASP A 69 17.714 -0.050 -2.711 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.742 -0.471 -4.858 1.00 0.00 O ATOM 0 H ASP A 69 15.020 -2.610 -5.046 1.00 0.00 H new ATOM 0 HA ASP A 69 15.364 -1.680 -2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 69 15.284 -0.177 -4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.236 0.591 -3.298 1.00 0.00 H new ATOM 1068 N VAL A 70 12.954 -0.691 -1.975 1.00 0.00 N ATOM 1069 CA VAL A 70 11.536 -0.488 -1.660 1.00 0.00 C ATOM 1070 C VAL A 70 11.371 0.927 -1.096 1.00 0.00 C ATOM 1071 O VAL A 70 12.341 1.448 -0.544 1.00 0.00 O ATOM 1072 CB VAL A 70 11.055 -1.562 -0.659 1.00 0.00 C ATOM 1073 CG1 VAL A 70 11.344 -2.969 -1.176 1.00 0.00 C ATOM 1074 CG2 VAL A 70 11.638 -1.431 0.745 1.00 0.00 C ATOM 0 H VAL A 70 13.586 -0.330 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 70 10.923 -0.589 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 70 9.982 -1.391 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.994 -3.703 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.827 -3.122 -2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.417 -3.089 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.245 -2.226 1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.724 -1.509 0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.362 -0.464 1.165 1.00 0.00 H new ATOM 1084 N PRO A 71 10.193 1.571 -1.208 1.00 0.00 N ATOM 1085 CA PRO A 71 9.994 2.912 -0.674 1.00 0.00 C ATOM 1086 C PRO A 71 10.191 2.898 0.833 1.00 0.00 C ATOM 1087 O PRO A 71 9.622 2.040 1.512 1.00 0.00 O ATOM 1088 CB PRO A 71 8.560 3.315 -1.017 1.00 0.00 C ATOM 1089 CG PRO A 71 7.859 2.007 -1.372 1.00 0.00 C ATOM 1090 CD PRO A 71 8.979 1.078 -1.837 1.00 0.00 C ATOM 0 HA PRO A 71 10.707 3.619 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.075 3.807 -0.174 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.535 4.016 -1.852 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.334 1.593 -0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.117 2.156 -2.157 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.778 0.047 -1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.070 1.089 -2.923 1.00 0.00 H new ATOM 1098 N THR A 72 10.928 3.874 1.360 1.00 0.00 N ATOM 1099 CA THR A 72 11.241 3.968 2.780 1.00 0.00 C ATOM 1100 C THR A 72 9.965 3.898 3.638 1.00 0.00 C ATOM 1101 O THR A 72 9.929 3.164 4.625 1.00 0.00 O ATOM 1102 CB THR A 72 12.072 5.236 3.013 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.136 5.270 2.087 1.00 0.00 O ATOM 1104 CG2 THR A 72 12.680 5.293 4.401 1.00 0.00 C ATOM 0 H THR A 72 11.328 4.630 0.804 1.00 0.00 H new ATOM 0 HA THR A 72 11.839 3.114 3.096 1.00 0.00 H new ATOM 0 HB THR A 72 11.394 6.081 2.895 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.383 6.201 1.907 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.257 6.212 4.508 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.886 5.274 5.147 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.335 4.434 4.547 1.00 0.00 H new ATOM 1112 N ALA A 73 8.877 4.548 3.203 1.00 0.00 N ATOM 1113 CA ALA A 73 7.613 4.574 3.935 1.00 0.00 C ATOM 1114 C ALA A 73 6.921 3.205 4.009 1.00 0.00 C ATOM 1115 O ALA A 73 5.988 3.041 4.804 1.00 0.00 O ATOM 1116 CB ALA A 73 6.680 5.605 3.299 1.00 0.00 C ATOM 0 H ALA A 73 8.854 5.072 2.328 1.00 0.00 H new ATOM 0 HA ALA A 73 7.844 4.852 4.963 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.736 5.626 3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.145 6.590 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.493 5.335 2.260 1.00 0.00 H new ATOM 1122 N SER A 74 7.337 2.217 3.210 1.00 0.00 N ATOM 1123 CA SER A 74 6.840 0.854 3.306 1.00 0.00 C ATOM 1124 C SER A 74 7.881 -0.146 3.814 1.00 0.00 C ATOM 1125 O SER A 74 7.476 -1.245 4.175 1.00 0.00 O ATOM 1126 CB SER A 74 6.200 0.437 1.982 1.00 0.00 C ATOM 1127 OG SER A 74 5.160 1.346 1.625 1.00 0.00 O ATOM 0 H SER A 74 8.033 2.349 2.476 1.00 0.00 H new ATOM 0 HA SER A 74 6.067 0.840 4.075 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.956 0.413 1.197 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.797 -0.572 2.067 1.00 0.00 H new ATOM 0 HG SER A 74 4.405 0.848 1.248 1.00 0.00 H new ATOM 1133 N VAL A 75 9.163 0.223 3.966 1.00 0.00 N ATOM 1134 CA VAL A 75 10.163 -0.604 4.661 1.00 0.00 C ATOM 1135 C VAL A 75 9.593 -1.046 6.006 1.00 0.00 C ATOM 1136 O VAL A 75 9.514 -2.240 6.295 1.00 0.00 O ATOM 1137 CB VAL A 75 11.491 0.159 4.873 1.00 0.00 C ATOM 1138 CG1 VAL A 75 12.525 -0.670 5.651 1.00 0.00 C ATOM 1139 CG2 VAL A 75 12.146 0.541 3.552 1.00 0.00 C ATOM 0 H VAL A 75 9.536 1.103 3.610 1.00 0.00 H new ATOM 0 HA VAL A 75 10.383 -1.473 4.041 1.00 0.00 H new ATOM 0 HB VAL A 75 11.214 1.048 5.439 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.439 -0.089 5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.123 -0.925 6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.747 -1.584 5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.076 1.075 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.359 -0.360 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.472 1.182 2.984 1.00 0.00 H new ATOM 1149 N THR A 76 9.175 -0.068 6.811 1.00 0.00 N ATOM 1150 CA THR A 76 8.688 -0.317 8.153 1.00 0.00 C ATOM 1151 C THR A 76 7.452 -1.224 8.117 1.00 0.00 C ATOM 1152 O THR A 76 7.338 -2.139 8.922 1.00 0.00 O ATOM 1153 CB THR A 76 8.473 1.046 8.846 1.00 0.00 C ATOM 1154 OG1 THR A 76 8.461 0.896 10.242 1.00 0.00 O ATOM 1155 CG2 THR A 76 7.202 1.784 8.408 1.00 0.00 C ATOM 0 H THR A 76 9.168 0.916 6.544 1.00 0.00 H new ATOM 0 HA THR A 76 9.414 -0.869 8.750 1.00 0.00 H new ATOM 0 HB THR A 76 9.317 1.660 8.532 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.325 1.770 10.664 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.128 2.731 8.943 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.244 1.975 7.336 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.329 1.171 8.634 1.00 0.00 H new ATOM 1163 N GLU A 77 6.574 -1.023 7.132 1.00 0.00 N ATOM 1164 CA GLU A 77 5.328 -1.752 6.962 1.00 0.00 C ATOM 1165 C GLU A 77 5.622 -3.242 6.765 1.00 0.00 C ATOM 1166 O GLU A 77 5.009 -4.091 7.406 1.00 0.00 O ATOM 1167 CB GLU A 77 4.592 -1.155 5.751 1.00 0.00 C ATOM 1168 CG GLU A 77 3.069 -1.287 5.823 1.00 0.00 C ATOM 1169 CD GLU A 77 2.427 -0.154 6.630 1.00 0.00 C ATOM 1170 OE1 GLU A 77 2.365 0.989 6.105 1.00 0.00 O ATOM 1171 OE2 GLU A 77 1.933 -0.419 7.745 1.00 0.00 O ATOM 0 H GLU A 77 6.722 -0.321 6.407 1.00 0.00 H new ATOM 0 HA GLU A 77 4.697 -1.660 7.846 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.852 -0.100 5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.947 -1.646 4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.658 -1.290 4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.810 -2.245 6.275 1.00 0.00 H new ATOM 1178 N ILE A 78 6.589 -3.565 5.902 1.00 0.00 N ATOM 1179 CA ILE A 78 7.008 -4.934 5.629 1.00 0.00 C ATOM 1180 C ILE A 78 7.621 -5.521 6.899 1.00 0.00 C ATOM 1181 O ILE A 78 7.250 -6.623 7.296 1.00 0.00 O ATOM 1182 CB ILE A 78 8.011 -4.969 4.458 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.443 -4.340 3.163 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.438 -6.420 4.188 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.518 -3.581 2.382 1.00 0.00 C ATOM 0 H ILE A 78 7.108 -2.869 5.367 1.00 0.00 H new ATOM 0 HA ILE A 78 6.146 -5.534 5.336 1.00 0.00 H new ATOM 0 HB ILE A 78 8.872 -4.369 4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.021 -5.123 2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.629 -3.660 3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.147 -6.443 3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.909 -6.833 5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.562 -7.015 3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.079 -3.154 1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.922 -2.781 3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.320 -4.266 2.107 1.00 0.00 H new ATOM 1197 N GLN A 79 8.551 -4.801 7.537 1.00 0.00 N ATOM 1198 CA GLN A 79 9.232 -5.275 8.739 1.00 0.00 C ATOM 1199 C GLN A 79 8.238 -5.445 9.906 1.00 0.00 C ATOM 1200 O GLN A 79 8.537 -6.161 10.861 1.00 0.00 O ATOM 1201 CB GLN A 79 10.400 -4.350 9.108 1.00 0.00 C ATOM 1202 CG GLN A 79 11.478 -4.212 8.030 1.00 0.00 C ATOM 1203 CD GLN A 79 12.531 -5.305 8.058 1.00 0.00 C ATOM 1204 OE1 GLN A 79 12.596 -6.109 7.022 1.00 0.00 O flip ATOM 1205 NE2 GLN A 79 13.344 -5.430 8.968 1.00 0.00 N flip ATOM 0 H GLN A 79 8.850 -3.875 7.232 1.00 0.00 H new ATOM 0 HA GLN A 79 9.653 -6.258 8.529 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.003 -3.360 9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.865 -4.722 10.021 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.999 -4.210 7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.970 -3.246 8.146 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.303 -4.811 9.777 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.061 -6.153 8.915 1.00 0.00 H new ATOM 1214 N GLU A 80 7.052 -4.826 9.856 1.00 0.00 N ATOM 1215 CA GLU A 80 5.981 -4.994 10.819 1.00 0.00 C ATOM 1216 C GLU A 80 4.998 -6.113 10.458 1.00 0.00 C ATOM 1217 O GLU A 80 4.299 -6.579 11.359 1.00 0.00 O ATOM 1218 CB GLU A 80 5.222 -3.663 10.925 1.00 0.00 C ATOM 1219 CG GLU A 80 5.859 -2.772 11.994 1.00 0.00 C ATOM 1220 CD GLU A 80 5.187 -1.410 12.171 1.00 0.00 C ATOM 1221 OE1 GLU A 80 3.955 -1.286 11.968 1.00 0.00 O ATOM 1222 OE2 GLU A 80 5.881 -0.475 12.631 1.00 0.00 O ATOM 0 H GLU A 80 6.813 -4.171 9.111 1.00 0.00 H new ATOM 0 HA GLU A 80 6.434 -5.282 11.767 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.234 -3.152 9.962 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.178 -3.851 11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.838 -3.299 12.948 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.907 -2.615 11.740 1.00 0.00 H new ATOM 1229 N LYS A 81 4.902 -6.528 9.189 1.00 0.00 N ATOM 1230 CA LYS A 81 3.892 -7.474 8.685 1.00 0.00 C ATOM 1231 C LYS A 81 4.467 -8.832 8.300 1.00 0.00 C ATOM 1232 O LYS A 81 3.697 -9.783 8.159 1.00 0.00 O ATOM 1233 CB LYS A 81 3.234 -6.882 7.428 1.00 0.00 C ATOM 1234 CG LYS A 81 2.133 -5.858 7.697 1.00 0.00 C ATOM 1235 CD LYS A 81 0.840 -6.525 8.197 1.00 0.00 C ATOM 1236 CE LYS A 81 -0.398 -5.842 7.614 1.00 0.00 C ATOM 1237 NZ LYS A 81 -0.557 -4.461 8.106 1.00 0.00 N ATOM 0 H LYS A 81 5.542 -6.207 8.462 1.00 0.00 H new ATOM 0 HA LYS A 81 3.183 -7.626 9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.006 -6.411 6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.815 -7.697 6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.480 -5.138 8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.924 -5.301 6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.841 -7.579 7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.803 -6.482 9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.327 -5.832 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.285 -6.421 7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.409 -4.038 7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.651 -4.470 9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.277 -3.899 7.839 1.00 0.00 H new ATOM 1251 N TRP A 82 5.768 -8.941 8.059 1.00 0.00 N ATOM 1252 CA TRP A 82 6.390 -10.191 7.684 1.00 0.00 C ATOM 1253 C TRP A 82 6.312 -11.204 8.846 1.00 0.00 C ATOM 1254 O TRP A 82 5.976 -10.840 9.975 1.00 0.00 O ATOM 1255 CB TRP A 82 7.813 -9.867 7.239 1.00 0.00 C ATOM 1256 CG TRP A 82 8.577 -11.070 6.838 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.475 -11.678 7.631 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.496 -11.864 5.621 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.958 -12.801 6.999 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.363 -12.983 5.773 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.803 -11.749 4.400 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.542 -13.937 4.765 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 8.013 -12.676 3.363 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.895 -13.753 3.531 1.00 0.00 C ATOM 0 H TRP A 82 6.418 -8.158 8.120 1.00 0.00 H new ATOM 0 HA TRP A 82 5.871 -10.674 6.856 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.777 -9.169 6.402 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.337 -9.364 8.051 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.772 -11.338 8.612 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.668 -13.420 7.391 1.00 0.00 H new ATOM 0 HE3 TRP A 82 7.102 -10.940 4.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 10.168 -14.801 4.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 7.489 -12.557 2.426 1.00 0.00 H new ATOM 0 HH2 TRP A 82 9.076 -14.438 2.716 1.00 0.00 H new ATOM 1275 N HIS A 83 6.613 -12.481 8.577 1.00 0.00 N ATOM 1276 CA HIS A 83 6.953 -13.477 9.585 1.00 0.00 C ATOM 1277 C HIS A 83 8.062 -14.375 9.036 1.00 0.00 C ATOM 1278 O HIS A 83 7.844 -15.121 8.077 1.00 0.00 O ATOM 1279 CB HIS A 83 5.738 -14.307 10.017 1.00 0.00 C ATOM 1280 CG HIS A 83 5.008 -13.753 11.215 1.00 0.00 C ATOM 1281 ND1 HIS A 83 5.576 -13.381 12.416 1.00 0.00 N ATOM 1282 CD2 HIS A 83 3.651 -13.651 11.347 1.00 0.00 C ATOM 1283 CE1 HIS A 83 4.571 -13.066 13.255 1.00 0.00 C ATOM 1284 NE2 HIS A 83 3.378 -13.210 12.646 1.00 0.00 N ATOM 0 H HIS A 83 6.625 -12.853 7.627 1.00 0.00 H new ATOM 0 HA HIS A 83 7.302 -12.960 10.479 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.042 -14.375 9.181 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.066 -15.322 10.242 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.920 -13.872 10.584 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.703 -12.742 14.277 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.459 -13.033 13.051 1.00 0.00 H new ATOM 1292 N ASP A 84 9.262 -14.266 9.605 1.00 0.00 N ATOM 1293 CA ASP A 84 10.433 -15.071 9.264 1.00 0.00 C ATOM 1294 C ASP A 84 10.302 -16.443 9.901 1.00 0.00 C ATOM 1295 O ASP A 84 10.217 -16.563 11.121 1.00 0.00 O ATOM 1296 CB ASP A 84 11.740 -14.386 9.692 1.00 0.00 C ATOM 1297 CG ASP A 84 11.883 -14.156 11.205 1.00 0.00 C ATOM 1298 OD1 ASP A 84 11.150 -13.284 11.736 1.00 0.00 O ATOM 1299 OD2 ASP A 84 12.744 -14.808 11.845 1.00 0.00 O ATOM 0 H ASP A 84 9.452 -13.589 10.344 1.00 0.00 H new ATOM 0 HA ASP A 84 10.476 -15.179 8.180 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.580 -14.991 9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.813 -13.424 9.184 1.00 0.00 H new ATOM 1304 N SER A 85 10.242 -17.475 9.065 1.00 0.00 N ATOM 1305 CA SER A 85 9.893 -18.843 9.425 1.00 0.00 C ATOM 1306 C SER A 85 10.020 -19.736 8.186 1.00 0.00 C ATOM 1307 O SER A 85 10.247 -19.259 7.072 1.00 0.00 O ATOM 1308 CB SER A 85 8.431 -18.874 9.908 1.00 0.00 C ATOM 1309 OG SER A 85 8.303 -18.778 11.313 1.00 0.00 O ATOM 0 H SER A 85 10.445 -17.374 8.071 1.00 0.00 H new ATOM 0 HA SER A 85 10.558 -19.199 10.212 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.885 -18.053 9.444 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.964 -19.799 9.570 1.00 0.00 H new ATOM 0 HG SER A 85 8.861 -18.043 11.643 1.00 0.00 H new ATOM 1315 N ARG A 86 9.754 -21.031 8.385 1.00 0.00 N ATOM 1316 CA ARG A 86 9.575 -22.113 7.422 1.00 0.00 C ATOM 1317 C ARG A 86 10.841 -22.284 6.594 1.00 0.00 C ATOM 1318 O ARG A 86 11.682 -23.145 6.856 1.00 0.00 O ATOM 1319 CB ARG A 86 8.296 -21.951 6.547 1.00 0.00 C ATOM 1320 CG ARG A 86 7.125 -21.108 7.081 1.00 0.00 C ATOM 1321 CD ARG A 86 6.306 -21.777 8.178 1.00 0.00 C ATOM 1322 NE ARG A 86 5.372 -22.734 7.580 1.00 0.00 N ATOM 1323 CZ ARG A 86 4.612 -23.617 8.222 1.00 0.00 C ATOM 1324 NH1 ARG A 86 4.638 -23.698 9.549 1.00 0.00 N ATOM 1325 NH2 ARG A 86 3.824 -24.403 7.498 1.00 0.00 N ATOM 0 H ARG A 86 9.647 -21.382 9.337 1.00 0.00 H new ATOM 0 HA ARG A 86 9.408 -23.033 7.982 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.603 -21.521 5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.913 -22.950 6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.518 -20.166 7.463 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.463 -20.863 6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.967 -22.288 8.879 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.758 -21.025 8.746 1.00 0.00 H new ATOM 0 HE ARG A 86 5.296 -22.722 6.563 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.245 -23.079 10.086 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.051 -24.379 10.030 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.814 -24.319 6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.228 -25.091 7.958 1.00 0.00 H new ATOM 1339 N ARG A 87 10.987 -21.442 5.581 1.00 0.00 N ATOM 1340 CA ARG A 87 11.899 -21.575 4.464 1.00 0.00 C ATOM 1341 C ARG A 87 12.452 -20.203 4.071 1.00 0.00 C ATOM 1342 O ARG A 87 13.224 -20.126 3.112 1.00 0.00 O ATOM 1343 CB ARG A 87 11.094 -22.224 3.321 1.00 0.00 C ATOM 1344 CG ARG A 87 11.919 -22.981 2.276 1.00 0.00 C ATOM 1345 CD ARG A 87 11.101 -23.188 0.995 1.00 0.00 C ATOM 1346 NE ARG A 87 9.977 -24.118 1.184 1.00 0.00 N ATOM 1347 CZ ARG A 87 10.059 -25.450 1.148 1.00 0.00 C ATOM 1348 NH1 ARG A 87 11.225 -26.054 0.965 1.00 0.00 N ATOM 1349 NH2 ARG A 87 8.960 -26.168 1.318 1.00 0.00 N ATOM 0 H ARG A 87 10.430 -20.590 5.518 1.00 0.00 H new ATOM 0 HA ARG A 87 12.762 -22.194 4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.371 -22.914 3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.525 -21.445 2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.828 -22.424 2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.228 -23.946 2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.718 -22.226 0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.754 -23.568 0.209 1.00 0.00 H new ATOM 0 HE ARG A 87 9.058 -23.711 1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.074 -25.500 0.850 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.273 -27.073 0.940 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.066 -25.703 1.474 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.007 -27.187 1.293 1.00 0.00 H new ATOM 1363 N TRP A 88 12.032 -19.117 4.732 1.00 0.00 N ATOM 1364 CA TRP A 88 12.300 -17.756 4.290 1.00 0.00 C ATOM 1365 C TRP A 88 12.733 -16.926 5.486 1.00 0.00 C ATOM 1366 O TRP A 88 12.033 -16.861 6.501 1.00 0.00 O ATOM 1367 CB TRP A 88 11.050 -17.158 3.631 1.00 0.00 C ATOM 1368 CG TRP A 88 10.668 -17.772 2.322 1.00 0.00 C ATOM 1369 CD1 TRP A 88 9.938 -18.893 2.153 1.00 0.00 C ATOM 1370 CD2 TRP A 88 10.993 -17.313 0.980 1.00 0.00 C ATOM 1371 NE1 TRP A 88 9.795 -19.161 0.810 1.00 0.00 N ATOM 1372 CE2 TRP A 88 10.501 -18.263 0.043 1.00 0.00 C ATOM 1373 CE3 TRP A 88 11.666 -16.192 0.459 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 10.794 -18.184 -1.323 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 11.988 -16.105 -0.905 1.00 0.00 C ATOM 1376 CH2 TRP A 88 11.584 -17.122 -1.785 1.00 0.00 C ATOM 0 H TRP A 88 11.492 -19.166 5.596 1.00 0.00 H new ATOM 0 HA TRP A 88 13.099 -17.758 3.549 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.212 -17.258 4.320 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.213 -16.091 3.480 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.527 -19.492 2.952 1.00 0.00 H new ATOM 0 HE1 TRP A 88 9.237 -19.927 0.432 1.00 0.00 H new ATOM 0 HE3 TRP A 88 11.940 -15.384 1.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 10.418 -18.928 -2.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 12.545 -15.258 -1.277 1.00 0.00 H new ATOM 0 HH2 TRP A 88 11.883 -17.086 -2.822 1.00 0.00 H new ATOM 1387 N GLN A 89 13.889 -16.282 5.372 1.00 0.00 N ATOM 1388 CA GLN A 89 14.320 -15.244 6.286 1.00 0.00 C ATOM 1389 C GLN A 89 14.332 -13.939 5.499 1.00 0.00 C ATOM 1390 O GLN A 89 14.702 -13.896 4.322 1.00 0.00 O ATOM 1391 CB GLN A 89 15.691 -15.574 6.897 1.00 0.00 C ATOM 1392 CG GLN A 89 15.614 -16.366 8.215 1.00 0.00 C ATOM 1393 CD GLN A 89 15.429 -17.877 8.076 1.00 0.00 C ATOM 1394 OE1 GLN A 89 16.375 -18.645 8.251 1.00 0.00 O ATOM 1395 NE2 GLN A 89 14.221 -18.352 7.815 1.00 0.00 N ATOM 0 H GLN A 89 14.560 -16.473 4.628 1.00 0.00 H new ATOM 0 HA GLN A 89 13.639 -15.159 7.133 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.271 -16.147 6.174 1.00 0.00 H new ATOM 0 HB3 GLN A 89 16.232 -14.644 7.075 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.527 -16.182 8.781 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.788 -15.971 8.806 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.441 -17.711 7.671 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.070 -19.359 7.758 1.00 0.00 H new ATOM 1404 N LEU A 90 13.884 -12.884 6.168 1.00 0.00 N ATOM 1405 CA LEU A 90 13.957 -11.508 5.708 1.00 0.00 C ATOM 1406 C LEU A 90 15.161 -10.852 6.338 1.00 0.00 C ATOM 1407 O LEU A 90 15.802 -11.396 7.241 1.00 0.00 O ATOM 1408 CB LEU A 90 12.683 -10.751 6.138 1.00 0.00 C ATOM 1409 CG LEU A 90 11.690 -10.437 5.015 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.866 -9.118 4.280 1.00 0.00 C ATOM 1411 CD2 LEU A 90 11.580 -11.550 3.980 1.00 0.00 C ATOM 0 H LEU A 90 13.442 -12.970 7.083 1.00 0.00 H new ATOM 0 HA LEU A 90 14.041 -11.485 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 90 12.170 -11.341 6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.980 -9.814 6.609 1.00 0.00 H new ATOM 0 HG LEU A 90 10.767 -10.347 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.098 -9.024 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.776 -8.293 4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.851 -9.090 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.860 -11.264 3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.554 -11.717 3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.247 -12.467 4.466 1.00 0.00 H new ATOM 1423 N SER A 91 15.413 -9.642 5.878 1.00 0.00 N ATOM 1424 CA SER A 91 16.384 -8.700 6.419 1.00 0.00 C ATOM 1425 C SER A 91 16.132 -7.370 5.709 1.00 0.00 C ATOM 1426 O SER A 91 15.307 -7.294 4.788 1.00 0.00 O ATOM 1427 CB SER A 91 17.822 -9.212 6.197 1.00 0.00 C ATOM 1428 OG SER A 91 18.139 -10.285 7.070 1.00 0.00 O ATOM 0 H SER A 91 14.919 -9.264 5.070 1.00 0.00 H new ATOM 0 HA SER A 91 16.273 -8.581 7.497 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.936 -9.538 5.163 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.527 -8.396 6.353 1.00 0.00 H new ATOM 0 HG SER A 91 17.312 -10.669 7.430 1.00 0.00 H new ATOM 1434 N VAL A 92 16.828 -6.320 6.123 1.00 0.00 N ATOM 1435 CA VAL A 92 16.852 -5.043 5.438 1.00 0.00 C ATOM 1436 C VAL A 92 18.326 -4.704 5.189 1.00 0.00 C ATOM 1437 O VAL A 92 19.209 -5.271 5.835 1.00 0.00 O ATOM 1438 CB VAL A 92 16.030 -4.037 6.271 1.00 0.00 C ATOM 1439 CG1 VAL A 92 16.675 -3.646 7.605 1.00 0.00 C ATOM 1440 CG2 VAL A 92 15.658 -2.786 5.473 1.00 0.00 C ATOM 0 H VAL A 92 17.404 -6.337 6.965 1.00 0.00 H new ATOM 0 HA VAL A 92 16.376 -5.034 4.457 1.00 0.00 H new ATOM 0 HB VAL A 92 15.116 -4.578 6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 92 16.032 -2.937 8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.807 -4.536 8.220 1.00 0.00 H new ATOM 0 HG13 VAL A 92 17.646 -3.187 7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.081 -2.110 6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.566 -2.284 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.062 -3.071 4.606 1.00 0.00 H new ATOM 1450 N ALA A 93 18.604 -3.844 4.213 1.00 0.00 N ATOM 1451 CA ALA A 93 19.948 -3.331 3.995 1.00 0.00 C ATOM 1452 C ALA A 93 20.289 -2.306 5.085 1.00 0.00 C ATOM 1453 O ALA A 93 19.437 -1.942 5.903 1.00 0.00 O ATOM 1454 CB ALA A 93 19.998 -2.712 2.597 1.00 0.00 C ATOM 0 H ALA A 93 17.909 -3.487 3.557 1.00 0.00 H new ATOM 0 HA ALA A 93 20.689 -4.128 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 93 20.997 -2.319 2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 93 19.761 -3.473 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.271 -1.902 2.531 1.00 0.00 H new