USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 617 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 64 CYS SG : rot 162:sc= -0.626! USER MOD Set 1.2: A 83 TYR OH : rot -147:sc= 1.31 USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0.625 USER MOD Set 2.2: A 66 GLN : amide:sc= 1.13 K(o=1.8,f=-3.8!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -177:sc= 0.351 (180deg=0.203) USER MOD Single : A 25 ASN : amide:sc= -0.0829 X(o=-0.083,f=-0.017) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0841 USER MOD Single : A 30 ASN : amide:sc= -0.978! C(o=-0.98!,f=-6.1!) USER MOD Single : A 32 ASN : amide:sc= -0.0064 X(o=-0.0064,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot -60:sc= 0.988 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.504 K(o=-0.5,f=-1.4) USER MOD Single : A 51 ASN : amide:sc= -0.0626 X(o=-0.063,f=-0.063) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 142:sc= 0.201 USER MOD Single : A 69 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.3!) USER MOD Single : A 74 TYR OH : rot 130:sc= -0.08 USER MOD Single : A 84 CYS SG : rot -43:sc= -0.334 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0945 USER MOD Single : A 89 CYS SG : rot -83:sc= -3.15! USER MOD Single : A 90 GLN : amide:sc= -0.734 K(o=-0.73,f=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -1.46! C(o=-1.5!,f=-3.2!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 283 N THR A 19 -55.544 92.280 25.044 1.00 0.00 N ATOM 284 CA THR A 19 -55.492 91.860 23.706 1.00 0.00 C ATOM 285 C THR A 19 -55.728 93.063 22.808 1.00 0.00 C ATOM 286 O THR A 19 -56.660 93.841 23.041 1.00 0.00 O ATOM 287 CB THR A 19 -56.597 90.818 23.468 1.00 0.00 C ATOM 288 OG1 THR A 19 -56.440 89.711 24.381 1.00 0.00 O ATOM 289 CG2 THR A 19 -56.568 90.310 22.049 1.00 0.00 C ATOM 0 HA THR A 19 -54.520 91.419 23.484 1.00 0.00 H new ATOM 0 HB THR A 19 -57.558 91.302 23.643 1.00 0.00 H new ATOM 0 HG1 THR A 19 -57.149 89.053 24.223 1.00 0.00 H new ATOM 0 HG21 THR A 19 -57.360 89.575 21.910 1.00 0.00 H new ATOM 0 HG22 THR A 19 -56.720 91.142 21.361 1.00 0.00 H new ATOM 0 HG23 THR A 19 -55.603 89.846 21.848 1.00 0.00 H new ATOM 297 N TRP A 20 -54.873 93.239 21.842 1.00 0.00 N ATOM 298 CA TRP A 20 -55.035 94.290 20.867 1.00 0.00 C ATOM 299 C TRP A 20 -55.857 93.759 19.741 1.00 0.00 C ATOM 300 O TRP A 20 -55.544 92.705 19.208 1.00 0.00 O ATOM 301 CB TRP A 20 -53.686 94.758 20.346 1.00 0.00 C ATOM 302 CG TRP A 20 -52.880 95.495 21.363 1.00 0.00 C ATOM 303 CD1 TRP A 20 -52.045 94.973 22.302 1.00 0.00 C ATOM 304 CD2 TRP A 20 -52.844 96.903 21.534 1.00 0.00 C ATOM 305 NE1 TRP A 20 -51.491 95.987 23.045 1.00 0.00 N ATOM 306 CE2 TRP A 20 -51.964 97.179 22.587 1.00 0.00 C ATOM 307 CE3 TRP A 20 -53.471 97.957 20.895 1.00 0.00 C ATOM 308 CZ2 TRP A 20 -51.701 98.474 23.009 1.00 0.00 C ATOM 309 CZ3 TRP A 20 -53.212 99.234 21.318 1.00 0.00 C ATOM 310 CH2 TRP A 20 -52.331 99.484 22.365 1.00 0.00 C ATOM 0 H TRP A 20 -54.044 92.661 21.704 1.00 0.00 H new ATOM 0 HA TRP A 20 -55.529 95.144 21.331 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -53.119 93.894 20.001 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -53.843 95.403 19.481 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -51.848 93.920 22.442 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -50.832 95.867 23.815 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -54.153 97.777 20.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -51.018 98.669 23.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -53.702 100.063 20.829 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -52.146 100.503 22.670 1.00 0.00 H new ATOM 321 N TYR A 21 -56.903 94.435 19.397 1.00 0.00 N ATOM 322 CA TYR A 21 -57.761 93.968 18.350 1.00 0.00 C ATOM 323 C TYR A 21 -58.093 95.092 17.403 1.00 0.00 C ATOM 324 O TYR A 21 -57.965 96.275 17.754 1.00 0.00 O ATOM 325 CB TYR A 21 -59.076 93.384 18.932 1.00 0.00 C ATOM 326 CG TYR A 21 -60.047 94.412 19.515 1.00 0.00 C ATOM 327 CD1 TYR A 21 -59.989 94.792 20.847 1.00 0.00 C ATOM 328 CD2 TYR A 21 -61.018 95.004 18.710 1.00 0.00 C ATOM 329 CE1 TYR A 21 -60.869 95.733 21.356 1.00 0.00 C ATOM 330 CE2 TYR A 21 -61.891 95.934 19.209 1.00 0.00 C ATOM 331 CZ TYR A 21 -61.816 96.298 20.528 1.00 0.00 C ATOM 332 OH TYR A 21 -62.698 97.232 21.025 1.00 0.00 O ATOM 0 H TYR A 21 -57.188 95.316 19.825 1.00 0.00 H new ATOM 0 HA TYR A 21 -57.232 93.182 17.811 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -59.588 92.831 18.145 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -58.821 92.666 19.712 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -59.248 94.349 21.496 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -61.084 94.723 17.669 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -60.814 96.022 22.395 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -62.636 96.379 18.565 1.00 0.00 H new ATOM 0 HH TYR A 21 -63.297 97.529 20.309 1.00 0.00 H new ATOM 342 N LYS A 22 -58.489 94.734 16.214 1.00 0.00 N ATOM 343 CA LYS A 22 -59.032 95.674 15.290 1.00 0.00 C ATOM 344 C LYS A 22 -60.041 94.921 14.431 1.00 0.00 C ATOM 345 O LYS A 22 -59.903 93.689 14.243 1.00 0.00 O ATOM 346 CB LYS A 22 -57.946 96.316 14.400 1.00 0.00 C ATOM 347 CG LYS A 22 -57.467 95.447 13.263 1.00 0.00 C ATOM 348 CD LYS A 22 -56.433 96.154 12.424 1.00 0.00 C ATOM 349 CE LYS A 22 -56.220 95.412 11.130 1.00 0.00 C ATOM 350 NZ LYS A 22 -57.406 95.527 10.238 1.00 0.00 N1+ ATOM 0 H LYS A 22 -58.442 93.778 15.863 1.00 0.00 H new ATOM 0 HA LYS A 22 -59.501 96.493 15.836 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -58.336 97.247 13.988 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -57.092 96.577 15.024 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -57.045 94.525 13.662 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -58.314 95.165 12.637 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -56.756 97.174 12.218 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -55.493 96.222 12.972 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -55.341 95.808 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -56.021 94.361 11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -57.249 94.964 9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -58.249 95.174 10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -57.550 96.524 9.978 1.00 0.00 H new ATOM 364 N PRO A 23 -61.070 95.594 13.935 1.00 0.00 N ATOM 365 CA PRO A 23 -62.033 94.971 13.052 1.00 0.00 C ATOM 366 C PRO A 23 -61.406 94.731 11.677 1.00 0.00 C ATOM 367 O PRO A 23 -60.747 95.620 11.119 1.00 0.00 O ATOM 368 CB PRO A 23 -63.167 96.001 12.967 1.00 0.00 C ATOM 369 CG PRO A 23 -62.530 97.311 13.278 1.00 0.00 C ATOM 370 CD PRO A 23 -61.380 97.018 14.198 1.00 0.00 C ATOM 0 HA PRO A 23 -62.378 94.000 13.406 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -63.618 96.008 11.975 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -63.962 95.771 13.677 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -62.184 97.800 12.367 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -63.243 97.986 13.751 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -60.525 97.659 13.986 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -61.650 97.182 15.241 1.00 0.00 H new ATOM 378 N GLU A 24 -61.561 93.548 11.160 1.00 0.00 N ATOM 379 CA GLU A 24 -61.025 93.208 9.865 1.00 0.00 C ATOM 380 C GLU A 24 -61.883 92.139 9.258 1.00 0.00 C ATOM 381 O GLU A 24 -62.028 91.080 9.834 1.00 0.00 O ATOM 382 CB GLU A 24 -59.634 92.639 10.044 1.00 0.00 C ATOM 383 CG GLU A 24 -58.930 92.328 8.742 1.00 0.00 C ATOM 384 CD GLU A 24 -58.585 93.562 7.978 1.00 0.00 C ATOM 385 OE1 GLU A 24 -59.453 94.111 7.291 1.00 0.00 O ATOM 386 OE2 GLU A 24 -57.434 94.029 8.106 1.00 0.00 O1- ATOM 0 H GLU A 24 -62.062 92.788 11.620 1.00 0.00 H new ATOM 0 HA GLU A 24 -60.999 94.094 9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -59.032 93.348 10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -59.698 91.728 10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -58.020 91.765 8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -59.568 91.690 8.130 1.00 0.00 H new ATOM 393 N ASN A 25 -62.407 92.367 8.099 1.00 0.00 N ATOM 394 CA ASN A 25 -63.220 91.348 7.495 1.00 0.00 C ATOM 395 C ASN A 25 -62.468 90.761 6.337 1.00 0.00 C ATOM 396 O ASN A 25 -62.296 91.404 5.289 1.00 0.00 O ATOM 397 CB ASN A 25 -64.590 91.890 7.065 1.00 0.00 C ATOM 398 CG ASN A 25 -65.577 90.800 6.617 1.00 0.00 C ATOM 399 OD1 ASN A 25 -66.429 91.041 5.761 1.00 0.00 O ATOM 400 ND2 ASN A 25 -65.511 89.623 7.208 1.00 0.00 N ATOM 0 H ASN A 25 -62.295 93.224 7.558 1.00 0.00 H new ATOM 0 HA ASN A 25 -63.423 90.568 8.229 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -65.028 92.444 7.895 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -64.450 92.598 6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -66.174 88.889 6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -64.797 89.446 7.914 1.00 0.00 H new ATOM 407 N ALA A 26 -61.988 89.576 6.538 1.00 0.00 N ATOM 408 CA ALA A 26 -61.197 88.884 5.540 1.00 0.00 C ATOM 409 C ALA A 26 -61.405 87.413 5.696 1.00 0.00 C ATOM 410 O ALA A 26 -61.969 86.960 6.711 1.00 0.00 O ATOM 411 CB ALA A 26 -59.699 89.221 5.667 1.00 0.00 C ATOM 0 H ALA A 26 -62.128 89.048 7.399 1.00 0.00 H new ATOM 0 HA ALA A 26 -61.521 89.210 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -59.139 88.683 4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -59.555 90.293 5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -59.342 88.925 6.653 1.00 0.00 H new ATOM 417 N THR A 27 -60.967 86.673 4.735 1.00 0.00 N ATOM 418 CA THR A 27 -61.100 85.272 4.770 1.00 0.00 C ATOM 419 C THR A 27 -59.748 84.597 4.939 1.00 0.00 C ATOM 420 O THR A 27 -58.840 84.777 4.142 1.00 0.00 O ATOM 421 CB THR A 27 -61.831 84.791 3.514 1.00 0.00 C ATOM 422 OG1 THR A 27 -63.171 85.291 3.545 1.00 0.00 O ATOM 423 CG2 THR A 27 -61.832 83.280 3.391 1.00 0.00 C ATOM 0 H THR A 27 -60.504 87.034 3.901 1.00 0.00 H new ATOM 0 HA THR A 27 -61.698 84.992 5.637 1.00 0.00 H new ATOM 0 HB THR A 27 -61.303 85.173 2.640 1.00 0.00 H new ATOM 0 HG1 THR A 27 -63.651 84.991 2.745 1.00 0.00 H new ATOM 0 HG21 THR A 27 -62.362 82.989 2.484 1.00 0.00 H new ATOM 0 HG22 THR A 27 -60.805 82.918 3.342 1.00 0.00 H new ATOM 0 HG23 THR A 27 -62.329 82.845 4.258 1.00 0.00 H new ATOM 431 N PHE A 28 -59.641 83.825 5.965 1.00 0.00 N ATOM 432 CA PHE A 28 -58.458 83.109 6.267 1.00 0.00 C ATOM 433 C PHE A 28 -58.616 81.706 5.774 1.00 0.00 C ATOM 434 O PHE A 28 -59.569 81.016 6.108 1.00 0.00 O ATOM 435 CB PHE A 28 -58.175 83.114 7.782 1.00 0.00 C ATOM 436 CG PHE A 28 -57.093 82.148 8.214 1.00 0.00 C ATOM 437 CD1 PHE A 28 -57.423 80.994 8.913 1.00 0.00 C ATOM 438 CD2 PHE A 28 -55.764 82.381 7.909 1.00 0.00 C ATOM 439 CE1 PHE A 28 -56.450 80.097 9.296 1.00 0.00 C ATOM 440 CE2 PHE A 28 -54.785 81.485 8.294 1.00 0.00 C ATOM 441 CZ PHE A 28 -55.130 80.341 8.988 1.00 0.00 C ATOM 0 H PHE A 28 -60.397 83.673 6.633 1.00 0.00 H new ATOM 0 HA PHE A 28 -57.611 83.588 5.775 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -57.888 84.122 8.083 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -59.096 82.872 8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -58.456 80.797 9.160 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -55.489 83.272 7.364 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -56.722 79.203 9.837 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -53.750 81.679 8.053 1.00 0.00 H new ATOM 0 HZ PHE A 28 -54.366 79.639 9.288 1.00 0.00 H new ATOM 451 N VAL A 29 -57.731 81.319 4.942 1.00 0.00 N ATOM 452 CA VAL A 29 -57.703 79.992 4.438 1.00 0.00 C ATOM 453 C VAL A 29 -56.575 79.310 5.128 1.00 0.00 C ATOM 454 O VAL A 29 -55.435 79.726 4.973 1.00 0.00 O ATOM 455 CB VAL A 29 -57.445 79.964 2.919 1.00 0.00 C ATOM 456 CG1 VAL A 29 -57.487 78.542 2.387 1.00 0.00 C ATOM 457 CG2 VAL A 29 -58.436 80.837 2.187 1.00 0.00 C ATOM 0 H VAL A 29 -56.990 81.920 4.581 1.00 0.00 H new ATOM 0 HA VAL A 29 -58.663 79.507 4.615 1.00 0.00 H new ATOM 0 HB VAL A 29 -56.446 80.363 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -57.302 78.550 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -56.721 77.945 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -58.468 78.109 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -58.232 80.800 1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -59.447 80.477 2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -58.345 81.865 2.538 1.00 0.00 H new ATOM 467 N ASN A 30 -56.876 78.325 5.920 1.00 0.00 N ATOM 468 CA ASN A 30 -55.839 77.618 6.646 1.00 0.00 C ATOM 469 C ASN A 30 -54.964 76.838 5.676 1.00 0.00 C ATOM 470 O ASN A 30 -55.435 76.397 4.625 1.00 0.00 O ATOM 471 CB ASN A 30 -56.429 76.713 7.736 1.00 0.00 C ATOM 472 CG ASN A 30 -55.365 76.042 8.557 1.00 0.00 C ATOM 473 OD1 ASN A 30 -54.265 76.542 8.701 1.00 0.00 O ATOM 474 ND2 ASN A 30 -55.689 74.932 9.117 1.00 0.00 N ATOM 0 H ASN A 30 -57.824 77.986 6.086 1.00 0.00 H new ATOM 0 HA ASN A 30 -55.214 78.351 7.156 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -57.070 77.305 8.389 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -57.060 75.954 7.273 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -55.015 74.441 9.704 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -56.621 74.542 8.974 1.00 0.00 H new ATOM 481 N GLY A 31 -53.714 76.699 6.010 1.00 0.00 N ATOM 482 CA GLY A 31 -52.782 76.060 5.151 1.00 0.00 C ATOM 483 C GLY A 31 -52.666 74.574 5.377 1.00 0.00 C ATOM 484 O GLY A 31 -53.641 73.838 5.273 1.00 0.00 O ATOM 0 H GLY A 31 -53.319 77.029 6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -53.074 76.239 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -51.802 76.517 5.289 1.00 0.00 H new ATOM 488 N ASN A 32 -51.481 74.154 5.715 1.00 0.00 N ATOM 489 CA ASN A 32 -51.128 72.748 5.821 1.00 0.00 C ATOM 490 C ASN A 32 -51.446 72.133 7.167 1.00 0.00 C ATOM 491 O ASN A 32 -51.721 70.944 7.256 1.00 0.00 O ATOM 492 CB ASN A 32 -49.635 72.564 5.476 1.00 0.00 C ATOM 493 CG ASN A 32 -49.098 71.164 5.739 1.00 0.00 C ATOM 494 OD1 ASN A 32 -49.187 70.273 4.885 1.00 0.00 O ATOM 495 ND2 ASN A 32 -48.497 70.971 6.883 1.00 0.00 N ATOM 0 H ASN A 32 -50.709 74.785 5.931 1.00 0.00 H new ATOM 0 HA ASN A 32 -51.751 72.213 5.104 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -49.485 72.806 4.424 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -49.050 73.279 6.054 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -48.083 70.063 7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -48.442 71.728 7.564 1.00 0.00 H new ATOM 502 N GLN A 33 -51.434 72.909 8.192 1.00 0.00 N ATOM 503 CA GLN A 33 -51.611 72.381 9.520 1.00 0.00 C ATOM 504 C GLN A 33 -52.940 72.787 10.108 1.00 0.00 C ATOM 505 O GLN A 33 -53.349 73.917 9.960 1.00 0.00 O ATOM 506 CB GLN A 33 -50.483 72.851 10.415 1.00 0.00 C ATOM 507 CG GLN A 33 -50.209 74.347 10.283 1.00 0.00 C ATOM 508 CD GLN A 33 -49.169 74.852 11.227 1.00 0.00 C ATOM 509 OE1 GLN A 33 -47.969 74.849 10.926 1.00 0.00 O ATOM 510 NE2 GLN A 33 -49.613 75.320 12.347 1.00 0.00 N ATOM 0 H GLN A 33 -51.303 73.920 8.147 1.00 0.00 H new ATOM 0 HA GLN A 33 -51.596 71.293 9.453 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -50.728 72.621 11.452 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -49.577 72.297 10.171 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -49.895 74.561 9.262 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -51.137 74.894 10.452 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -50.613 75.299 12.548 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -48.964 75.710 13.030 1.00 0.00 H new ATOM 519 N PRO A 34 -53.649 71.862 10.750 1.00 0.00 N ATOM 520 CA PRO A 34 -54.884 72.181 11.434 1.00 0.00 C ATOM 521 C PRO A 34 -54.590 73.052 12.654 1.00 0.00 C ATOM 522 O PRO A 34 -53.605 72.816 13.370 1.00 0.00 O ATOM 523 CB PRO A 34 -55.445 70.826 11.852 1.00 0.00 C ATOM 524 CG PRO A 34 -54.275 69.905 11.862 1.00 0.00 C ATOM 525 CD PRO A 34 -53.300 70.442 10.855 1.00 0.00 C ATOM 0 HA PRO A 34 -55.585 72.738 10.813 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -55.912 70.880 12.835 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -56.209 70.484 11.154 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -53.824 69.862 12.853 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -54.578 68.890 11.605 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -52.270 70.307 11.185 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -53.397 69.935 9.895 1.00 0.00 H new ATOM 533 N ILE A 35 -55.420 74.034 12.905 1.00 0.00 N ATOM 534 CA ILE A 35 -55.104 74.988 13.941 1.00 0.00 C ATOM 535 C ILE A 35 -56.059 74.879 15.126 1.00 0.00 C ATOM 536 O ILE A 35 -57.272 74.835 14.955 1.00 0.00 O ATOM 537 CB ILE A 35 -55.114 76.443 13.414 1.00 0.00 C ATOM 538 CG1 ILE A 35 -54.509 76.513 11.989 1.00 0.00 C ATOM 539 CG2 ILE A 35 -54.337 77.331 14.376 1.00 0.00 C ATOM 540 CD1 ILE A 35 -54.100 77.903 11.533 1.00 0.00 C ATOM 0 H ILE A 35 -56.302 74.193 12.418 1.00 0.00 H new ATOM 0 HA ILE A 35 -54.096 74.742 14.275 1.00 0.00 H new ATOM 0 HB ILE A 35 -56.143 76.797 13.354 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -53.636 75.862 11.949 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -55.236 76.114 11.282 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -54.342 78.357 14.008 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -54.803 77.296 15.361 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -53.309 76.976 14.449 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -53.688 77.849 10.525 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -54.972 78.558 11.534 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -53.346 78.301 12.212 1.00 0.00 H new ATOM 552 N VAL A 36 -55.504 74.819 16.315 1.00 0.00 N ATOM 553 CA VAL A 36 -56.287 74.761 17.546 1.00 0.00 C ATOM 554 C VAL A 36 -56.931 76.130 17.808 1.00 0.00 C ATOM 555 O VAL A 36 -56.236 77.118 18.010 1.00 0.00 O ATOM 556 CB VAL A 36 -55.405 74.363 18.767 1.00 0.00 C ATOM 557 CG1 VAL A 36 -56.232 74.279 20.039 1.00 0.00 C ATOM 558 CG2 VAL A 36 -54.697 73.042 18.515 1.00 0.00 C ATOM 0 H VAL A 36 -54.495 74.809 16.465 1.00 0.00 H new ATOM 0 HA VAL A 36 -57.057 73.999 17.421 1.00 0.00 H new ATOM 0 HB VAL A 36 -54.654 75.142 18.898 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -55.589 73.999 20.873 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -56.688 75.248 20.241 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -57.013 73.529 19.916 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -54.087 72.785 19.381 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -55.437 72.259 18.347 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -54.059 73.133 17.636 1.00 0.00 H new ATOM 568 N THR A 37 -58.234 76.174 17.787 1.00 0.00 N ATOM 569 CA THR A 37 -58.956 77.404 17.980 1.00 0.00 C ATOM 570 C THR A 37 -59.374 77.550 19.451 1.00 0.00 C ATOM 571 O THR A 37 -59.379 76.559 20.201 1.00 0.00 O ATOM 572 CB THR A 37 -60.193 77.459 17.054 1.00 0.00 C ATOM 573 OG1 THR A 37 -61.083 76.388 17.363 1.00 0.00 O ATOM 574 CG2 THR A 37 -59.773 77.333 15.598 1.00 0.00 C ATOM 0 H THR A 37 -58.827 75.358 17.636 1.00 0.00 H new ATOM 0 HA THR A 37 -58.301 78.236 17.722 1.00 0.00 H new ATOM 0 HB THR A 37 -60.691 78.416 17.210 1.00 0.00 H new ATOM 0 HG1 THR A 37 -60.625 75.532 17.228 1.00 0.00 H new ATOM 0 HG21 THR A 37 -60.656 77.374 14.960 1.00 0.00 H new ATOM 0 HG22 THR A 37 -59.101 78.152 15.341 1.00 0.00 H new ATOM 0 HG23 THR A 37 -59.260 76.383 15.448 1.00 0.00 H new ATOM 582 N ARG A 38 -59.727 78.752 19.859 1.00 0.00 N ATOM 583 CA ARG A 38 -60.068 79.045 21.247 1.00 0.00 C ATOM 584 C ARG A 38 -61.384 79.778 21.298 1.00 0.00 C ATOM 585 O ARG A 38 -61.762 80.420 20.333 1.00 0.00 O ATOM 586 CB ARG A 38 -58.971 79.891 21.898 1.00 0.00 C ATOM 587 CG ARG A 38 -57.592 79.255 21.862 1.00 0.00 C ATOM 588 CD ARG A 38 -57.520 77.988 22.682 1.00 0.00 C ATOM 589 NE ARG A 38 -56.223 77.321 22.530 1.00 0.00 N ATOM 590 CZ ARG A 38 -55.806 76.290 23.269 1.00 0.00 C ATOM 591 NH1 ARG A 38 -56.489 75.921 24.358 1.00 0.00 N1+ ATOM 592 NH2 ARG A 38 -54.680 75.670 22.952 1.00 0.00 N ATOM 0 H ARG A 38 -59.787 79.560 19.239 1.00 0.00 H new ATOM 0 HA ARG A 38 -60.154 78.108 21.797 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -58.927 80.857 21.396 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -59.243 80.083 22.936 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -57.325 79.032 20.829 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -56.856 79.968 22.235 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -57.688 78.224 23.733 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -58.317 77.310 22.376 1.00 0.00 H new ATOM 0 HE ARG A 38 -55.594 77.670 21.807 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -57.332 76.428 24.627 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -56.167 75.133 24.919 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -54.136 75.981 22.147 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -54.356 74.882 23.513 1.00 0.00 H new ATOM 606 N ILE A 39 -62.076 79.688 22.407 1.00 0.00 N ATOM 607 CA ILE A 39 -63.393 80.276 22.509 1.00 0.00 C ATOM 608 C ILE A 39 -63.507 81.404 23.544 1.00 0.00 C ATOM 609 O ILE A 39 -62.937 81.342 24.637 1.00 0.00 O ATOM 610 CB ILE A 39 -64.492 79.191 22.724 1.00 0.00 C ATOM 611 CG1 ILE A 39 -64.556 78.303 21.487 1.00 0.00 C ATOM 612 CG2 ILE A 39 -65.847 79.817 23.006 1.00 0.00 C ATOM 613 CD1 ILE A 39 -65.686 77.303 21.475 1.00 0.00 C ATOM 0 H ILE A 39 -61.752 79.215 23.251 1.00 0.00 H new ATOM 0 HA ILE A 39 -63.564 80.754 21.545 1.00 0.00 H new ATOM 0 HB ILE A 39 -64.230 78.591 23.596 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -64.645 78.939 20.606 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -63.613 77.764 21.397 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -66.588 79.031 23.150 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -65.785 80.428 23.907 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -66.141 80.443 22.163 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -65.646 76.720 20.555 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -65.591 76.636 22.332 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -66.639 77.830 21.529 1.00 0.00 H new ATOM 625 N GLY A 40 -64.210 82.458 23.129 1.00 0.00 N ATOM 626 CA GLY A 40 -64.553 83.595 23.956 1.00 0.00 C ATOM 627 C GLY A 40 -63.485 84.639 23.969 1.00 0.00 C ATOM 628 O GLY A 40 -63.731 85.823 23.771 1.00 0.00 O ATOM 0 H GLY A 40 -64.564 82.538 22.176 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -65.482 84.036 23.594 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -64.737 83.256 24.975 1.00 0.00 H new ATOM 632 N SER A 41 -62.323 84.193 24.187 1.00 0.00 N ATOM 633 CA SER A 41 -61.163 85.020 24.318 1.00 0.00 C ATOM 634 C SER A 41 -59.972 84.381 23.598 1.00 0.00 C ATOM 635 O SER A 41 -59.875 83.150 23.524 1.00 0.00 O ATOM 636 CB SER A 41 -60.875 85.250 25.803 1.00 0.00 C ATOM 637 OG SER A 41 -62.013 85.840 26.435 1.00 0.00 O ATOM 0 H SER A 41 -62.123 83.198 24.287 1.00 0.00 H new ATOM 0 HA SER A 41 -61.341 85.988 23.850 1.00 0.00 H new ATOM 0 HB2 SER A 41 -60.630 84.304 26.285 1.00 0.00 H new ATOM 0 HB3 SER A 41 -60.007 85.900 25.917 1.00 0.00 H new ATOM 0 HG SER A 41 -61.822 85.983 27.386 1.00 0.00 H new ATOM 643 N PRO A 42 -59.074 85.188 23.030 1.00 0.00 N ATOM 644 CA PRO A 42 -57.902 84.679 22.360 1.00 0.00 C ATOM 645 C PRO A 42 -56.740 84.435 23.329 1.00 0.00 C ATOM 646 O PRO A 42 -55.916 85.304 23.552 1.00 0.00 O ATOM 647 CB PRO A 42 -57.561 85.780 21.363 1.00 0.00 C ATOM 648 CG PRO A 42 -58.076 87.044 21.977 1.00 0.00 C ATOM 649 CD PRO A 42 -59.140 86.661 22.977 1.00 0.00 C ATOM 0 HA PRO A 42 -58.081 83.711 21.892 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -56.486 85.836 21.192 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -58.029 85.594 20.396 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -57.269 87.590 22.466 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -58.488 87.702 21.212 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -58.946 87.104 23.954 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -60.125 87.004 22.661 1.00 0.00 H new ATOM 657 N PHE A 43 -56.737 83.283 23.948 1.00 0.00 N ATOM 658 CA PHE A 43 -55.683 82.892 24.872 1.00 0.00 C ATOM 659 C PHE A 43 -55.399 81.432 24.702 1.00 0.00 C ATOM 660 O PHE A 43 -56.255 80.685 24.258 1.00 0.00 O ATOM 661 CB PHE A 43 -56.079 83.111 26.339 1.00 0.00 C ATOM 662 CG PHE A 43 -56.166 84.534 26.815 1.00 0.00 C ATOM 663 CD1 PHE A 43 -55.039 85.175 27.304 1.00 0.00 C ATOM 664 CD2 PHE A 43 -57.367 85.213 26.811 1.00 0.00 C ATOM 665 CE1 PHE A 43 -55.110 86.467 27.776 1.00 0.00 C ATOM 666 CE2 PHE A 43 -57.445 86.510 27.276 1.00 0.00 C ATOM 667 CZ PHE A 43 -56.314 87.137 27.761 1.00 0.00 C ATOM 0 H PHE A 43 -57.466 82.580 23.830 1.00 0.00 H new ATOM 0 HA PHE A 43 -54.814 83.510 24.645 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -57.048 82.639 26.503 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -55.358 82.587 26.967 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -54.093 84.655 27.315 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -58.256 84.724 26.440 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -54.224 86.954 28.157 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -58.389 87.034 27.261 1.00 0.00 H new ATOM 0 HZ PHE A 43 -56.373 88.151 28.128 1.00 0.00 H new ATOM 677 N LEU A 44 -54.219 81.020 25.083 1.00 0.00 N ATOM 678 CA LEU A 44 -53.842 79.622 25.043 1.00 0.00 C ATOM 679 C LEU A 44 -54.489 78.900 26.218 1.00 0.00 C ATOM 680 O LEU A 44 -54.684 77.695 26.200 1.00 0.00 O ATOM 681 CB LEU A 44 -52.323 79.486 25.103 1.00 0.00 C ATOM 682 CG LEU A 44 -51.558 80.244 24.018 1.00 0.00 C ATOM 683 CD1 LEU A 44 -50.074 80.080 24.209 1.00 0.00 C ATOM 684 CD2 LEU A 44 -51.970 79.774 22.634 1.00 0.00 C ATOM 0 H LEU A 44 -53.488 81.640 25.431 1.00 0.00 H new ATOM 0 HA LEU A 44 -54.187 79.175 24.111 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -51.981 79.835 26.077 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -52.066 78.429 25.035 1.00 0.00 H new ATOM 0 HG LEU A 44 -51.806 81.302 24.104 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -49.544 80.626 23.428 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -49.787 80.472 25.185 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -49.815 79.023 24.153 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -51.411 80.329 21.880 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -51.758 78.710 22.533 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -53.037 79.946 22.494 1.00 0.00 H new ATOM 696 N ASN A 45 -54.829 79.675 27.238 1.00 0.00 N ATOM 697 CA ASN A 45 -55.492 79.165 28.443 1.00 0.00 C ATOM 698 C ASN A 45 -57.007 79.216 28.293 1.00 0.00 C ATOM 699 O ASN A 45 -57.743 78.956 29.241 1.00 0.00 O ATOM 700 CB ASN A 45 -55.059 79.958 29.702 1.00 0.00 C ATOM 701 CG ASN A 45 -55.406 81.444 29.645 1.00 0.00 C ATOM 702 OD1 ASN A 45 -54.619 82.245 29.160 1.00 0.00 O ATOM 703 ND2 ASN A 45 -56.549 81.818 30.142 1.00 0.00 N ATOM 0 H ASN A 45 -54.655 80.680 27.259 1.00 0.00 H new ATOM 0 HA ASN A 45 -55.186 78.126 28.568 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -55.534 79.517 30.579 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -53.982 79.851 29.835 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -56.810 82.804 30.134 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -57.184 81.125 30.539 1.00 0.00 H new ATOM 710 N ALA A 46 -57.463 79.533 27.104 1.00 0.00 N ATOM 711 CA ALA A 46 -58.881 79.599 26.818 1.00 0.00 C ATOM 712 C ALA A 46 -59.340 78.234 26.297 1.00 0.00 C ATOM 713 O ALA A 46 -58.499 77.444 25.808 1.00 0.00 O ATOM 714 CB ALA A 46 -59.156 80.699 25.789 1.00 0.00 C ATOM 0 H ALA A 46 -56.865 79.752 26.308 1.00 0.00 H new ATOM 0 HA ALA A 46 -59.437 79.842 27.724 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -60.225 80.742 25.579 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -58.825 81.659 26.185 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -58.614 80.480 24.869 1.00 0.00 H new ATOM 720 N PRO A 47 -60.647 77.909 26.418 1.00 0.00 N ATOM 721 CA PRO A 47 -61.204 76.635 25.934 1.00 0.00 C ATOM 722 C PRO A 47 -60.963 76.436 24.434 1.00 0.00 C ATOM 723 O PRO A 47 -60.870 77.407 23.672 1.00 0.00 O ATOM 724 CB PRO A 47 -62.714 76.760 26.217 1.00 0.00 C ATOM 725 CG PRO A 47 -62.945 78.216 26.445 1.00 0.00 C ATOM 726 CD PRO A 47 -61.686 78.734 27.060 1.00 0.00 C ATOM 0 HA PRO A 47 -60.739 75.779 26.423 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -63.305 76.393 25.377 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -63.002 76.173 27.089 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -63.163 78.729 25.508 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -63.798 78.379 27.104 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -61.543 79.795 26.857 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -61.686 78.614 28.143 1.00 0.00 H new ATOM 734 N VAL A 48 -60.859 75.197 24.029 1.00 0.00 N ATOM 735 CA VAL A 48 -60.583 74.850 22.657 1.00 0.00 C ATOM 736 C VAL A 48 -61.875 74.796 21.879 1.00 0.00 C ATOM 737 O VAL A 48 -62.799 74.070 22.244 1.00 0.00 O ATOM 738 CB VAL A 48 -59.871 73.477 22.560 1.00 0.00 C ATOM 739 CG1 VAL A 48 -59.556 73.081 21.115 1.00 0.00 C ATOM 740 CG2 VAL A 48 -58.620 73.471 23.391 1.00 0.00 C ATOM 0 H VAL A 48 -60.964 74.392 24.647 1.00 0.00 H new ATOM 0 HA VAL A 48 -59.925 75.612 22.239 1.00 0.00 H new ATOM 0 HB VAL A 48 -60.563 72.732 22.952 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -59.058 72.112 21.104 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -60.483 73.019 20.544 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -58.903 73.830 20.667 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -58.134 72.499 23.310 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -57.942 74.246 23.034 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -58.875 73.664 24.433 1.00 0.00 H new ATOM 750 N GLY A 49 -61.924 75.545 20.811 1.00 0.00 N ATOM 751 CA GLY A 49 -63.098 75.575 19.970 1.00 0.00 C ATOM 752 C GLY A 49 -63.058 74.481 18.951 1.00 0.00 C ATOM 753 O GLY A 49 -64.019 74.246 18.220 1.00 0.00 O ATOM 0 H GLY A 49 -61.162 76.147 20.498 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -63.992 75.471 20.585 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -63.166 76.541 19.469 1.00 0.00 H new ATOM 757 N GLY A 50 -61.941 73.831 18.897 1.00 0.00 N ATOM 758 CA GLY A 50 -61.741 72.755 18.006 1.00 0.00 C ATOM 759 C GLY A 50 -60.497 72.973 17.225 1.00 0.00 C ATOM 760 O GLY A 50 -59.812 73.981 17.409 1.00 0.00 O ATOM 0 H GLY A 50 -61.134 74.043 19.484 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -61.674 71.819 18.561 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -62.593 72.666 17.332 1.00 0.00 H new ATOM 764 N ASN A 51 -60.191 72.068 16.390 1.00 0.00 N ATOM 765 CA ASN A 51 -59.047 72.171 15.534 1.00 0.00 C ATOM 766 C ASN A 51 -59.497 72.384 14.125 1.00 0.00 C ATOM 767 O ASN A 51 -60.120 71.511 13.514 1.00 0.00 O ATOM 768 CB ASN A 51 -58.096 70.963 15.668 1.00 0.00 C ATOM 769 CG ASN A 51 -58.820 69.637 15.819 1.00 0.00 C ATOM 770 OD1 ASN A 51 -59.187 68.982 14.844 1.00 0.00 O ATOM 771 ND2 ASN A 51 -58.995 69.221 17.052 1.00 0.00 N ATOM 0 H ASN A 51 -60.728 71.210 16.266 1.00 0.00 H new ATOM 0 HA ASN A 51 -58.461 73.035 15.847 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -57.452 70.918 14.790 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -57.448 71.115 16.531 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -59.450 68.325 17.228 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -58.676 69.794 17.834 1.00 0.00 H new ATOM 778 N LEU A 52 -59.235 73.570 13.652 1.00 0.00 N ATOM 779 CA LEU A 52 -59.593 74.005 12.331 1.00 0.00 C ATOM 780 C LEU A 52 -58.878 73.172 11.323 1.00 0.00 C ATOM 781 O LEU A 52 -57.661 73.058 11.378 1.00 0.00 O ATOM 782 CB LEU A 52 -59.207 75.463 12.133 1.00 0.00 C ATOM 783 CG LEU A 52 -59.593 76.052 10.789 1.00 0.00 C ATOM 784 CD1 LEU A 52 -61.084 76.261 10.716 1.00 0.00 C ATOM 785 CD2 LEU A 52 -58.845 77.327 10.511 1.00 0.00 C ATOM 0 H LEU A 52 -58.750 74.285 14.194 1.00 0.00 H new ATOM 0 HA LEU A 52 -60.671 73.899 12.207 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -59.672 76.056 12.920 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -58.128 75.558 12.258 1.00 0.00 H new ATOM 0 HG LEU A 52 -59.311 75.341 10.013 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -61.345 76.684 9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -61.592 75.305 10.844 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -61.395 76.945 11.506 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -59.146 77.721 9.540 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -59.072 78.059 11.286 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -57.774 77.126 10.505 1.00 0.00 H new ATOM 797 N PRO A 53 -59.616 72.594 10.392 1.00 0.00 N ATOM 798 CA PRO A 53 -59.054 71.751 9.382 1.00 0.00 C ATOM 799 C PRO A 53 -58.035 72.485 8.504 1.00 0.00 C ATOM 800 O PRO A 53 -58.149 73.704 8.259 1.00 0.00 O ATOM 801 CB PRO A 53 -60.239 71.323 8.537 1.00 0.00 C ATOM 802 CG PRO A 53 -61.470 71.727 9.261 1.00 0.00 C ATOM 803 CD PRO A 53 -61.083 72.734 10.263 1.00 0.00 C ATOM 0 HA PRO A 53 -58.514 70.917 9.832 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -60.200 71.794 7.555 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -60.225 70.245 8.375 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -62.205 72.138 8.569 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -61.932 70.865 9.742 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -61.358 73.738 9.941 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -61.583 72.557 11.215 1.00 0.00 H new ATOM 811 N ALA A 54 -57.035 71.770 8.062 1.00 0.00 N ATOM 812 CA ALA A 54 -56.041 72.318 7.178 1.00 0.00 C ATOM 813 C ALA A 54 -56.668 72.540 5.813 1.00 0.00 C ATOM 814 O ALA A 54 -57.119 71.592 5.171 1.00 0.00 O ATOM 815 CB ALA A 54 -54.866 71.374 7.085 1.00 0.00 C ATOM 0 H ALA A 54 -56.886 70.791 8.305 1.00 0.00 H new ATOM 0 HA ALA A 54 -55.680 73.272 7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -54.115 71.792 6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -54.431 71.235 8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -55.202 70.412 6.698 1.00 0.00 H new ATOM 821 N GLY A 55 -56.739 73.776 5.396 1.00 0.00 N ATOM 822 CA GLY A 55 -57.356 74.092 4.132 1.00 0.00 C ATOM 823 C GLY A 55 -58.739 74.684 4.299 1.00 0.00 C ATOM 824 O GLY A 55 -59.395 75.027 3.310 1.00 0.00 O ATOM 0 H GLY A 55 -56.379 74.580 5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -56.725 74.796 3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -57.421 73.188 3.526 1.00 0.00 H new ATOM 828 N ALA A 56 -59.185 74.814 5.541 1.00 0.00 N ATOM 829 CA ALA A 56 -60.515 75.331 5.819 1.00 0.00 C ATOM 830 C ALA A 56 -60.585 76.822 5.613 1.00 0.00 C ATOM 831 O ALA A 56 -59.622 77.557 5.891 1.00 0.00 O ATOM 832 CB ALA A 56 -60.988 74.946 7.207 1.00 0.00 C ATOM 0 H ALA A 56 -58.645 74.568 6.371 1.00 0.00 H new ATOM 0 HA ALA A 56 -61.193 74.868 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -61.986 75.351 7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -61.018 73.860 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -60.301 75.350 7.951 1.00 0.00 H new ATOM 838 N THR A 57 -61.705 77.250 5.121 1.00 0.00 N ATOM 839 CA THR A 57 -61.939 78.613 4.793 1.00 0.00 C ATOM 840 C THR A 57 -62.716 79.301 5.937 1.00 0.00 C ATOM 841 O THR A 57 -63.839 78.899 6.266 1.00 0.00 O ATOM 842 CB THR A 57 -62.764 78.645 3.501 1.00 0.00 C ATOM 843 OG1 THR A 57 -62.322 77.571 2.646 1.00 0.00 O ATOM 844 CG2 THR A 57 -62.521 79.924 2.772 1.00 0.00 C ATOM 0 H THR A 57 -62.501 76.641 4.933 1.00 0.00 H new ATOM 0 HA THR A 57 -60.997 79.143 4.655 1.00 0.00 H new ATOM 0 HB THR A 57 -63.820 78.549 3.751 1.00 0.00 H new ATOM 0 HG1 THR A 57 -62.843 77.578 1.816 1.00 0.00 H new ATOM 0 HG21 THR A 57 -63.111 79.938 1.856 1.00 0.00 H new ATOM 0 HG22 THR A 57 -62.811 80.764 3.404 1.00 0.00 H new ATOM 0 HG23 THR A 57 -61.463 80.006 2.524 1.00 0.00 H new ATOM 852 N ILE A 58 -62.108 80.287 6.554 1.00 0.00 N ATOM 853 CA ILE A 58 -62.690 81.026 7.665 1.00 0.00 C ATOM 854 C ILE A 58 -62.929 82.476 7.299 1.00 0.00 C ATOM 855 O ILE A 58 -62.033 83.156 6.848 1.00 0.00 O ATOM 856 CB ILE A 58 -61.744 80.995 8.905 1.00 0.00 C ATOM 857 CG1 ILE A 58 -61.703 79.615 9.536 1.00 0.00 C ATOM 858 CG2 ILE A 58 -62.143 82.044 9.951 1.00 0.00 C ATOM 859 CD1 ILE A 58 -62.974 79.253 10.267 1.00 0.00 C ATOM 0 H ILE A 58 -61.175 80.609 6.297 1.00 0.00 H new ATOM 0 HA ILE A 58 -63.639 80.545 7.900 1.00 0.00 H new ATOM 0 HB ILE A 58 -60.745 81.240 8.545 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -61.515 78.874 8.759 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -60.866 79.566 10.232 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -61.460 81.990 10.799 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -62.093 83.038 9.507 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -63.160 81.850 10.291 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -62.877 78.255 10.694 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -63.152 79.973 11.066 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -63.812 79.270 9.570 1.00 0.00 H new ATOM 871 N VAL A 59 -64.115 82.933 7.502 1.00 0.00 N ATOM 872 CA VAL A 59 -64.414 84.327 7.361 1.00 0.00 C ATOM 873 C VAL A 59 -64.404 84.922 8.757 1.00 0.00 C ATOM 874 O VAL A 59 -65.204 84.519 9.606 1.00 0.00 O ATOM 875 CB VAL A 59 -65.802 84.556 6.721 1.00 0.00 C ATOM 876 CG1 VAL A 59 -66.101 86.039 6.603 1.00 0.00 C ATOM 877 CG2 VAL A 59 -65.883 83.883 5.363 1.00 0.00 C ATOM 0 H VAL A 59 -64.911 82.355 7.771 1.00 0.00 H new ATOM 0 HA VAL A 59 -63.677 84.794 6.708 1.00 0.00 H new ATOM 0 HB VAL A 59 -66.555 84.108 7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -67.083 86.177 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -66.092 86.492 7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -65.344 86.514 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -66.868 84.056 4.929 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -65.119 84.298 4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -65.720 82.811 5.478 1.00 0.00 H new ATOM 887 N TYR A 60 -63.502 85.833 9.008 1.00 0.00 N ATOM 888 CA TYR A 60 -63.396 86.434 10.314 1.00 0.00 C ATOM 889 C TYR A 60 -63.738 87.900 10.248 1.00 0.00 C ATOM 890 O TYR A 60 -63.768 88.491 9.151 1.00 0.00 O ATOM 891 CB TYR A 60 -61.999 86.220 10.934 1.00 0.00 C ATOM 892 CG TYR A 60 -60.834 86.836 10.167 1.00 0.00 C ATOM 893 CD1 TYR A 60 -60.426 88.139 10.419 1.00 0.00 C ATOM 894 CD2 TYR A 60 -60.129 86.106 9.218 1.00 0.00 C ATOM 895 CE1 TYR A 60 -59.358 88.695 9.756 1.00 0.00 C ATOM 896 CE2 TYR A 60 -59.056 86.663 8.544 1.00 0.00 C ATOM 897 CZ TYR A 60 -58.676 87.958 8.821 1.00 0.00 C ATOM 898 OH TYR A 60 -57.599 88.517 8.166 1.00 0.00 O ATOM 0 H TYR A 60 -62.828 86.177 8.324 1.00 0.00 H new ATOM 0 HA TYR A 60 -64.115 85.938 10.966 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -62.003 86.631 11.944 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -61.823 85.148 11.027 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -60.959 88.728 11.151 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -60.423 85.089 9.003 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -59.056 89.710 9.971 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -58.520 86.086 7.805 1.00 0.00 H new ATOM 0 HH TYR A 60 -56.902 87.839 8.044 1.00 0.00 H new ATOM 908 N ASP A 61 -63.986 88.495 11.393 1.00 0.00 N ATOM 909 CA ASP A 61 -64.332 89.900 11.437 1.00 0.00 C ATOM 910 C ASP A 61 -63.400 90.680 12.341 1.00 0.00 C ATOM 911 O ASP A 61 -63.544 91.901 12.492 1.00 0.00 O ATOM 912 CB ASP A 61 -65.796 90.128 11.859 1.00 0.00 C ATOM 913 CG ASP A 61 -66.127 89.762 13.324 1.00 0.00 C ATOM 914 OD1 ASP A 61 -65.737 90.504 14.267 1.00 0.00 O ATOM 915 OD2 ASP A 61 -66.849 88.758 13.557 1.00 0.00 O1- ATOM 0 H ASP A 61 -63.955 88.033 12.302 1.00 0.00 H new ATOM 0 HA ASP A 61 -64.216 90.273 10.419 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -66.043 91.178 11.699 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -66.441 89.545 11.202 1.00 0.00 H new ATOM 920 N GLU A 62 -62.406 90.030 12.882 1.00 0.00 N ATOM 921 CA GLU A 62 -61.549 90.697 13.823 1.00 0.00 C ATOM 922 C GLU A 62 -60.198 90.027 13.851 1.00 0.00 C ATOM 923 O GLU A 62 -60.103 88.829 13.611 1.00 0.00 O ATOM 924 CB GLU A 62 -62.206 90.600 15.190 1.00 0.00 C ATOM 925 CG GLU A 62 -61.555 91.368 16.310 1.00 0.00 C ATOM 926 CD GLU A 62 -62.321 91.186 17.596 1.00 0.00 C ATOM 927 OE1 GLU A 62 -62.569 92.174 18.303 1.00 0.00 O ATOM 928 OE2 GLU A 62 -62.752 90.050 17.898 1.00 0.00 O1- ATOM 0 H GLU A 62 -62.172 89.056 12.692 1.00 0.00 H new ATOM 0 HA GLU A 62 -61.406 91.740 13.541 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -63.237 90.942 15.097 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -62.244 89.549 15.475 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -60.528 91.028 16.442 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -61.510 92.427 16.054 1.00 0.00 H new ATOM 935 N VAL A 63 -59.169 90.794 14.095 1.00 0.00 N ATOM 936 CA VAL A 63 -57.844 90.253 14.291 1.00 0.00 C ATOM 937 C VAL A 63 -57.408 90.726 15.651 1.00 0.00 C ATOM 938 O VAL A 63 -57.647 91.887 16.007 1.00 0.00 O ATOM 939 CB VAL A 63 -56.800 90.750 13.253 1.00 0.00 C ATOM 940 CG1 VAL A 63 -55.522 89.954 13.331 1.00 0.00 C ATOM 941 CG2 VAL A 63 -57.336 90.758 11.853 1.00 0.00 C ATOM 0 H VAL A 63 -59.222 91.810 14.164 1.00 0.00 H new ATOM 0 HA VAL A 63 -57.892 89.169 14.183 1.00 0.00 H new ATOM 0 HB VAL A 63 -56.577 91.784 13.516 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -54.814 90.328 12.591 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -55.092 90.053 14.328 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -55.735 88.904 13.131 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -56.565 91.114 11.170 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -57.632 89.748 11.571 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -58.201 91.418 11.799 1.00 0.00 H new ATOM 951 N CYS A 64 -56.847 89.855 16.413 1.00 0.00 N ATOM 952 CA CYS A 64 -56.406 90.165 17.743 1.00 0.00 C ATOM 953 C CYS A 64 -54.980 89.702 17.957 1.00 0.00 C ATOM 954 O CYS A 64 -54.536 88.777 17.327 1.00 0.00 O ATOM 955 CB CYS A 64 -57.326 89.497 18.747 1.00 0.00 C ATOM 956 SG CYS A 64 -59.039 90.021 18.615 1.00 0.00 S ATOM 0 H CYS A 64 -56.675 88.889 16.133 1.00 0.00 H new ATOM 0 HA CYS A 64 -56.437 91.246 17.882 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -57.274 88.417 18.612 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -56.967 89.710 19.754 1.00 0.00 H new ATOM 0 HG CYS A 64 -59.805 89.154 19.208 1.00 0.00 H new ATOM 962 N ILE A 65 -54.273 90.375 18.809 1.00 0.00 N ATOM 963 CA ILE A 65 -52.921 90.008 19.162 1.00 0.00 C ATOM 964 C ILE A 65 -52.868 89.724 20.655 1.00 0.00 C ATOM 965 O ILE A 65 -53.233 90.593 21.469 1.00 0.00 O ATOM 966 CB ILE A 65 -51.911 91.135 18.793 1.00 0.00 C ATOM 967 CG1 ILE A 65 -51.968 91.410 17.279 1.00 0.00 C ATOM 968 CG2 ILE A 65 -50.494 90.754 19.228 1.00 0.00 C ATOM 969 CD1 ILE A 65 -51.038 92.500 16.792 1.00 0.00 C ATOM 0 H ILE A 65 -54.615 91.207 19.290 1.00 0.00 H new ATOM 0 HA ILE A 65 -52.637 89.119 18.599 1.00 0.00 H new ATOM 0 HB ILE A 65 -52.187 92.046 19.323 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -51.732 90.488 16.748 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -52.990 91.679 17.012 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -49.804 91.554 18.961 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -50.473 90.602 20.307 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -50.194 89.834 18.726 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -51.151 92.620 15.714 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -51.285 93.438 17.289 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -50.008 92.228 17.021 1.00 0.00 H new ATOM 981 N GLN A 66 -52.462 88.513 21.005 1.00 0.00 N ATOM 982 CA GLN A 66 -52.388 88.072 22.388 1.00 0.00 C ATOM 983 C GLN A 66 -51.611 86.764 22.464 1.00 0.00 C ATOM 984 O GLN A 66 -51.601 85.994 21.497 1.00 0.00 O ATOM 985 CB GLN A 66 -53.808 87.861 22.953 1.00 0.00 C ATOM 986 CG GLN A 66 -53.856 87.423 24.405 1.00 0.00 C ATOM 987 CD GLN A 66 -53.192 88.408 25.323 1.00 0.00 C ATOM 988 OE1 GLN A 66 -51.998 88.318 25.585 1.00 0.00 O ATOM 989 NE2 GLN A 66 -53.941 89.346 25.798 1.00 0.00 N ATOM 0 H GLN A 66 -52.173 87.804 20.331 1.00 0.00 H new ATOM 0 HA GLN A 66 -51.880 88.835 22.978 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -54.367 88.791 22.850 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -54.318 87.114 22.345 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -54.895 87.292 24.708 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -53.370 86.453 24.505 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -54.930 89.382 25.553 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -53.543 90.051 26.418 1.00 0.00 H new ATOM 998 N ALA A 67 -50.931 86.538 23.590 1.00 0.00 N ATOM 999 CA ALA A 67 -50.201 85.296 23.871 1.00 0.00 C ATOM 1000 C ALA A 67 -49.118 85.038 22.821 1.00 0.00 C ATOM 1001 O ALA A 67 -48.804 83.882 22.496 1.00 0.00 O ATOM 1002 CB ALA A 67 -51.183 84.116 23.954 1.00 0.00 C ATOM 0 H ALA A 67 -50.870 87.222 24.345 1.00 0.00 H new ATOM 0 HA ALA A 67 -49.700 85.401 24.833 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -50.633 83.199 24.163 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -51.903 84.297 24.752 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -51.711 84.015 23.006 1.00 0.00 H new ATOM 1008 N GLY A 68 -48.563 86.117 22.283 1.00 0.00 N ATOM 1009 CA GLY A 68 -47.512 86.022 21.278 1.00 0.00 C ATOM 1010 C GLY A 68 -48.037 85.574 19.927 1.00 0.00 C ATOM 1011 O GLY A 68 -47.274 85.302 19.006 1.00 0.00 O ATOM 0 H GLY A 68 -48.825 87.072 22.527 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -47.027 86.992 21.172 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -46.751 85.321 21.619 1.00 0.00 H new ATOM 1015 N HIS A 69 -49.332 85.475 19.817 1.00 0.00 N ATOM 1016 CA HIS A 69 -49.973 85.022 18.614 1.00 0.00 C ATOM 1017 C HIS A 69 -50.896 86.082 18.071 1.00 0.00 C ATOM 1018 O HIS A 69 -51.341 86.968 18.805 1.00 0.00 O ATOM 1019 CB HIS A 69 -50.771 83.731 18.871 1.00 0.00 C ATOM 1020 CG HIS A 69 -49.949 82.502 19.146 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -49.396 82.203 20.378 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -49.614 81.476 18.337 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -48.770 81.048 20.302 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -48.889 80.594 19.082 1.00 0.00 N ATOM 0 H HIS A 69 -49.980 85.709 20.569 1.00 0.00 H new ATOM 0 HA HIS A 69 -49.193 84.817 17.881 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -51.436 83.899 19.719 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -51.403 83.537 18.004 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -49.463 82.785 21.213 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -49.872 81.372 17.293 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -48.247 80.558 21.110 1.00 0.00 H new ATOM 1033 N ILE A 70 -51.157 86.005 16.802 1.00 0.00 N ATOM 1034 CA ILE A 70 -52.148 86.822 16.167 1.00 0.00 C ATOM 1035 C ILE A 70 -53.336 85.921 15.913 1.00 0.00 C ATOM 1036 O ILE A 70 -53.164 84.784 15.443 1.00 0.00 O ATOM 1037 CB ILE A 70 -51.641 87.452 14.846 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -50.442 88.358 15.126 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -52.745 88.218 14.142 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -49.966 89.184 13.943 1.00 0.00 C ATOM 0 H ILE A 70 -50.681 85.363 16.168 1.00 0.00 H new ATOM 0 HA ILE A 70 -52.407 87.665 16.808 1.00 0.00 H new ATOM 0 HB ILE A 70 -51.326 86.648 14.181 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -50.700 89.034 15.941 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -49.614 87.741 15.475 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -52.358 88.648 13.218 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -53.567 87.541 13.910 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -53.105 89.016 14.791 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -49.113 89.792 14.244 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -49.670 88.520 13.131 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -50.773 89.834 13.604 1.00 0.00 H new ATOM 1052 N TRP A 71 -54.497 86.397 16.223 1.00 0.00 N ATOM 1053 CA TRP A 71 -55.686 85.600 16.221 1.00 0.00 C ATOM 1054 C TRP A 71 -56.715 86.246 15.364 1.00 0.00 C ATOM 1055 O TRP A 71 -56.703 87.452 15.183 1.00 0.00 O ATOM 1056 CB TRP A 71 -56.273 85.525 17.635 1.00 0.00 C ATOM 1057 CG TRP A 71 -55.354 85.009 18.693 1.00 0.00 C ATOM 1058 CD1 TRP A 71 -54.366 85.697 19.322 1.00 0.00 C ATOM 1059 CD2 TRP A 71 -55.377 83.715 19.282 1.00 0.00 C ATOM 1060 NE1 TRP A 71 -53.755 84.901 20.245 1.00 0.00 N ATOM 1061 CE2 TRP A 71 -54.357 83.679 20.247 1.00 0.00 C ATOM 1062 CE3 TRP A 71 -56.155 82.582 19.083 1.00 0.00 C ATOM 1063 CZ2 TRP A 71 -54.096 82.553 21.013 1.00 0.00 C ATOM 1064 CZ3 TRP A 71 -55.899 81.466 19.844 1.00 0.00 C ATOM 1065 CH2 TRP A 71 -54.878 81.457 20.798 1.00 0.00 C ATOM 0 H TRP A 71 -54.652 87.369 16.490 1.00 0.00 H new ATOM 0 HA TRP A 71 -55.428 84.606 15.855 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -56.605 86.522 17.924 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -57.158 84.890 17.607 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -54.103 86.725 19.120 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -52.973 85.176 20.839 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -56.944 82.578 18.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -53.306 82.545 21.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -56.499 80.579 19.702 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -54.705 80.562 21.378 1.00 0.00 H new ATOM 1076 N ILE A 72 -57.587 85.463 14.848 1.00 0.00 N ATOM 1077 CA ILE A 72 -58.709 85.962 14.121 1.00 0.00 C ATOM 1078 C ILE A 72 -59.973 85.649 14.888 1.00 0.00 C ATOM 1079 O ILE A 72 -60.119 84.550 15.440 1.00 0.00 O ATOM 1080 CB ILE A 72 -58.794 85.393 12.701 1.00 0.00 C ATOM 1081 CG1 ILE A 72 -58.818 83.856 12.735 1.00 0.00 C ATOM 1082 CG2 ILE A 72 -57.621 85.919 11.874 1.00 0.00 C ATOM 1083 CD1 ILE A 72 -59.208 83.218 11.431 1.00 0.00 C ATOM 0 H ILE A 72 -57.548 84.446 14.915 1.00 0.00 H new ATOM 0 HA ILE A 72 -58.586 87.040 14.016 1.00 0.00 H new ATOM 0 HB ILE A 72 -59.722 85.720 12.232 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -57.831 83.494 13.023 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -59.514 83.531 13.508 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -57.679 85.516 10.863 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -57.663 87.007 11.834 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -56.683 85.609 12.335 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -59.200 82.133 11.540 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -60.208 83.547 11.150 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -58.499 83.510 10.657 1.00 0.00 H new ATOM 1095 N GLY A 73 -60.845 86.604 14.956 1.00 0.00 N ATOM 1096 CA GLY A 73 -62.060 86.449 15.681 1.00 0.00 C ATOM 1097 C GLY A 73 -63.235 86.285 14.773 1.00 0.00 C ATOM 1098 O GLY A 73 -63.479 87.125 13.890 1.00 0.00 O ATOM 0 H GLY A 73 -60.732 87.514 14.509 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -61.984 85.581 16.336 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -62.214 87.318 16.321 1.00 0.00 H new ATOM 1102 N TYR A 74 -63.936 85.211 14.956 1.00 0.00 N ATOM 1103 CA TYR A 74 -65.124 84.923 14.208 1.00 0.00 C ATOM 1104 C TYR A 74 -66.133 84.291 15.143 1.00 0.00 C ATOM 1105 O TYR A 74 -65.802 83.994 16.296 1.00 0.00 O ATOM 1106 CB TYR A 74 -64.816 84.033 12.979 1.00 0.00 C ATOM 1107 CG TYR A 74 -64.094 82.735 13.279 1.00 0.00 C ATOM 1108 CD1 TYR A 74 -64.792 81.552 13.456 1.00 0.00 C ATOM 1109 CD2 TYR A 74 -62.712 82.702 13.370 1.00 0.00 C ATOM 1110 CE1 TYR A 74 -64.133 80.369 13.718 1.00 0.00 C ATOM 1111 CE2 TYR A 74 -62.042 81.527 13.631 1.00 0.00 C ATOM 1112 CZ TYR A 74 -62.757 80.361 13.805 1.00 0.00 C ATOM 1113 OH TYR A 74 -62.094 79.181 14.066 1.00 0.00 O ATOM 0 H TYR A 74 -63.696 84.495 15.642 1.00 0.00 H new ATOM 0 HA TYR A 74 -65.545 85.844 13.805 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -65.755 83.799 12.477 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -64.214 84.609 12.276 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -65.870 81.556 13.388 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -62.150 83.614 13.234 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -64.691 79.455 13.854 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -60.964 81.519 13.699 1.00 0.00 H new ATOM 0 HH TYR A 74 -61.375 79.058 13.412 1.00 0.00 H new ATOM 1203 N ARG A 81 -67.618 83.024 20.540 1.00 0.00 N ATOM 1204 CA ARG A 81 -66.566 83.726 19.836 1.00 0.00 C ATOM 1205 C ARG A 81 -65.429 82.757 19.658 1.00 0.00 C ATOM 1206 O ARG A 81 -64.991 82.167 20.618 1.00 0.00 O ATOM 1207 CB ARG A 81 -66.068 84.920 20.674 1.00 0.00 C ATOM 1208 CG ARG A 81 -65.224 85.930 19.892 1.00 0.00 C ATOM 1209 CD ARG A 81 -65.974 86.499 18.684 1.00 0.00 C ATOM 1210 NE ARG A 81 -65.237 87.597 18.037 1.00 0.00 N ATOM 1211 CZ ARG A 81 -65.537 88.145 16.846 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -66.572 87.711 16.131 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 81 -64.806 89.138 16.390 1.00 0.00 N ATOM 0 HA ARG A 81 -66.935 84.098 18.880 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -66.930 85.435 21.098 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -65.479 84.542 21.510 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -64.932 86.746 20.553 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -64.306 85.449 19.554 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -66.148 85.704 17.959 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -66.952 86.859 19.003 1.00 0.00 H new ATOM 0 HE ARG A 81 -64.430 87.974 18.534 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -67.153 86.951 16.484 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -66.784 88.139 15.230 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -64.019 89.486 16.938 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -65.025 89.560 15.488 1.00 0.00 H new ATOM 1227 N VAL A 82 -64.971 82.560 18.473 1.00 0.00 N ATOM 1228 CA VAL A 82 -63.874 81.653 18.283 1.00 0.00 C ATOM 1229 C VAL A 82 -62.701 82.389 17.717 1.00 0.00 C ATOM 1230 O VAL A 82 -62.835 83.177 16.775 1.00 0.00 O ATOM 1231 CB VAL A 82 -64.226 80.436 17.387 1.00 0.00 C ATOM 1232 CG1 VAL A 82 -63.076 79.449 17.321 1.00 0.00 C ATOM 1233 CG2 VAL A 82 -65.465 79.745 17.887 1.00 0.00 C ATOM 0 H VAL A 82 -65.326 83.003 17.626 1.00 0.00 H new ATOM 0 HA VAL A 82 -63.628 81.248 19.265 1.00 0.00 H new ATOM 0 HB VAL A 82 -64.413 80.814 16.382 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -63.354 78.608 16.686 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -62.197 79.942 16.906 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -62.849 79.087 18.324 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -65.692 78.895 17.243 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -65.300 79.395 18.906 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -66.301 80.444 17.874 1.00 0.00 H new ATOM 1243 N TYR A 83 -61.585 82.166 18.315 1.00 0.00 N ATOM 1244 CA TYR A 83 -60.355 82.754 17.905 1.00 0.00 C ATOM 1245 C TYR A 83 -59.416 81.699 17.402 1.00 0.00 C ATOM 1246 O TYR A 83 -59.202 80.685 18.055 1.00 0.00 O ATOM 1247 CB TYR A 83 -59.712 83.552 19.032 1.00 0.00 C ATOM 1248 CG TYR A 83 -60.383 84.871 19.302 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -61.358 85.007 20.279 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -60.028 85.987 18.573 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -61.956 86.231 20.511 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -60.620 87.201 18.796 1.00 0.00 C ATOM 1253 CZ TYR A 83 -61.580 87.326 19.761 1.00 0.00 C ATOM 1254 OH TYR A 83 -62.164 88.554 19.982 1.00 0.00 O ATOM 0 H TYR A 83 -61.498 81.553 19.126 1.00 0.00 H new ATOM 0 HA TYR A 83 -60.571 83.449 17.094 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -59.728 82.954 19.943 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -58.665 83.731 18.786 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -61.653 84.148 20.864 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -59.268 85.901 17.811 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -62.713 86.330 21.275 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -60.329 88.060 18.210 1.00 0.00 H new ATOM 0 HH TYR A 83 -62.222 89.046 19.136 1.00 0.00 H new ATOM 1264 N CYS A 84 -58.903 81.913 16.243 1.00 0.00 N ATOM 1265 CA CYS A 84 -57.952 81.016 15.658 1.00 0.00 C ATOM 1266 C CYS A 84 -56.641 81.752 15.506 1.00 0.00 C ATOM 1267 O CYS A 84 -56.630 82.872 14.996 1.00 0.00 O ATOM 1268 CB CYS A 84 -58.445 80.533 14.283 1.00 0.00 C ATOM 1269 SG CYS A 84 -57.348 79.358 13.450 1.00 0.00 S ATOM 0 H CYS A 84 -59.129 82.721 15.663 1.00 0.00 H new ATOM 0 HA CYS A 84 -57.824 80.143 16.298 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -59.424 80.069 14.406 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -58.582 81.400 13.637 1.00 0.00 H new ATOM 0 HG CYS A 84 -56.116 79.754 13.572 1.00 0.00 H new ATOM 1275 N PRO A 85 -55.535 81.188 15.990 1.00 0.00 N ATOM 1276 CA PRO A 85 -54.242 81.788 15.799 1.00 0.00 C ATOM 1277 C PRO A 85 -53.816 81.581 14.354 1.00 0.00 C ATOM 1278 O PRO A 85 -53.933 80.488 13.815 1.00 0.00 O ATOM 1279 CB PRO A 85 -53.325 81.050 16.779 1.00 0.00 C ATOM 1280 CG PRO A 85 -53.998 79.746 17.055 1.00 0.00 C ATOM 1281 CD PRO A 85 -55.466 79.919 16.739 1.00 0.00 C ATOM 0 HA PRO A 85 -54.221 82.862 15.983 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -52.335 80.897 16.350 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -53.190 81.623 17.696 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -53.565 78.954 16.444 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -53.861 79.456 18.097 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -55.845 79.087 16.146 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -56.066 79.962 17.648 1.00 0.00 H new ATOM 1289 N VAL A 86 -53.396 82.627 13.717 1.00 0.00 N ATOM 1290 CA VAL A 86 -53.055 82.550 12.309 1.00 0.00 C ATOM 1291 C VAL A 86 -51.591 82.781 12.049 1.00 0.00 C ATOM 1292 O VAL A 86 -51.107 82.519 10.949 1.00 0.00 O ATOM 1293 CB VAL A 86 -53.895 83.530 11.470 1.00 0.00 C ATOM 1294 CG1 VAL A 86 -55.340 83.102 11.480 1.00 0.00 C ATOM 1295 CG2 VAL A 86 -53.762 84.958 11.997 1.00 0.00 C ATOM 0 H VAL A 86 -53.277 83.549 14.137 1.00 0.00 H new ATOM 0 HA VAL A 86 -53.288 81.530 12.003 1.00 0.00 H new ATOM 0 HB VAL A 86 -53.522 83.514 10.446 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -55.930 83.799 10.885 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -55.426 82.101 11.057 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -55.711 83.096 12.505 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -54.366 85.629 11.386 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -54.108 84.998 13.030 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -52.718 85.267 11.952 1.00 0.00 H new ATOM 1305 N ARG A 87 -50.896 83.282 13.052 1.00 0.00 N ATOM 1306 CA ARG A 87 -49.485 83.585 12.962 1.00 0.00 C ATOM 1307 C ARG A 87 -49.023 84.056 14.321 1.00 0.00 C ATOM 1308 O ARG A 87 -49.841 84.193 15.240 1.00 0.00 O ATOM 1309 CB ARG A 87 -49.226 84.656 11.870 1.00 0.00 C ATOM 1310 CG ARG A 87 -49.889 85.990 12.119 1.00 0.00 C ATOM 1311 CD ARG A 87 -49.996 86.823 10.846 1.00 0.00 C ATOM 1312 NE ARG A 87 -48.709 87.038 10.177 1.00 0.00 N ATOM 1313 CZ ARG A 87 -48.486 87.965 9.241 1.00 0.00 C ATOM 1314 NH1 ARG A 87 -49.436 88.837 8.912 1.00 0.00 N1+ ATOM 1315 NH2 ARG A 87 -47.303 88.022 8.658 1.00 0.00 N ATOM 0 H ARG A 87 -51.303 83.492 13.963 1.00 0.00 H new ATOM 0 HA ARG A 87 -48.922 82.698 12.673 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -48.151 84.812 11.782 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -49.571 84.268 10.912 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -50.885 85.828 12.531 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -49.321 86.543 12.867 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -50.678 86.329 10.154 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -50.435 87.790 11.090 1.00 0.00 H new ATOM 0 HE ARG A 87 -47.929 86.438 10.445 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -50.344 88.801 9.376 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -49.256 89.541 8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -46.571 87.363 8.923 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -47.121 88.725 7.942 1.00 0.00 H new ATOM 1329 N THR A 88 -47.763 84.267 14.468 1.00 0.00 N ATOM 1330 CA THR A 88 -47.194 84.736 15.694 1.00 0.00 C ATOM 1331 C THR A 88 -46.964 86.252 15.644 1.00 0.00 C ATOM 1332 O THR A 88 -47.042 86.855 14.566 1.00 0.00 O ATOM 1333 CB THR A 88 -45.882 84.000 15.914 1.00 0.00 C ATOM 1334 OG1 THR A 88 -45.231 83.852 14.636 1.00 0.00 O ATOM 1335 CG2 THR A 88 -46.134 82.628 16.519 1.00 0.00 C ATOM 0 H THR A 88 -47.079 84.117 13.726 1.00 0.00 H new ATOM 0 HA THR A 88 -47.877 84.540 16.521 1.00 0.00 H new ATOM 0 HB THR A 88 -45.255 84.566 16.602 1.00 0.00 H new ATOM 0 HG1 THR A 88 -44.380 83.380 14.755 1.00 0.00 H new ATOM 0 HG21 THR A 88 -45.183 82.116 16.669 1.00 0.00 H new ATOM 0 HG22 THR A 88 -46.641 82.740 17.477 1.00 0.00 H new ATOM 0 HG23 THR A 88 -46.759 82.042 15.845 1.00 0.00 H new ATOM 1343 N CYS A 89 -46.731 86.855 16.792 1.00 0.00 N ATOM 1344 CA CYS A 89 -46.446 88.271 16.893 1.00 0.00 C ATOM 1345 C CYS A 89 -45.549 88.539 18.077 1.00 0.00 C ATOM 1346 O CYS A 89 -45.937 88.299 19.238 1.00 0.00 O ATOM 1347 CB CYS A 89 -47.722 89.087 17.032 1.00 0.00 C ATOM 1348 SG CYS A 89 -47.455 90.859 17.220 1.00 0.00 S ATOM 0 H CYS A 89 -46.734 86.371 17.690 1.00 0.00 H new ATOM 0 HA CYS A 89 -45.943 88.572 15.974 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -48.345 88.917 16.154 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -48.280 88.722 17.894 1.00 0.00 H new ATOM 0 HG CYS A 89 -47.196 91.129 18.465 1.00 0.00 H new ATOM 1354 N GLN A 90 -44.361 89.024 17.805 1.00 0.00 N ATOM 1355 CA GLN A 90 -43.423 89.332 18.848 1.00 0.00 C ATOM 1356 C GLN A 90 -43.720 90.719 19.397 1.00 0.00 C ATOM 1357 O GLN A 90 -43.434 91.743 18.750 1.00 0.00 O ATOM 1358 CB GLN A 90 -41.988 89.259 18.340 1.00 0.00 C ATOM 1359 CG GLN A 90 -40.972 89.159 19.460 1.00 0.00 C ATOM 1360 CD GLN A 90 -39.553 88.936 18.988 1.00 0.00 C ATOM 1361 OE1 GLN A 90 -38.762 88.297 19.677 1.00 0.00 O ATOM 1362 NE2 GLN A 90 -39.211 89.450 17.842 1.00 0.00 N ATOM 0 H GLN A 90 -44.023 89.214 16.861 1.00 0.00 H new ATOM 0 HA GLN A 90 -43.529 88.593 19.642 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -41.884 88.396 17.683 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -41.775 90.144 17.740 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -41.007 90.074 20.051 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -41.256 88.341 20.122 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -39.893 89.975 17.295 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -38.261 89.327 17.491 1.00 0.00 H new ATOM 1371 N GLY A 91 -44.335 90.753 20.547 1.00 0.00 N ATOM 1372 CA GLY A 91 -44.676 92.000 21.162 1.00 0.00 C ATOM 1373 C GLY A 91 -46.055 92.458 20.753 1.00 0.00 C ATOM 1374 O GLY A 91 -46.780 91.735 20.046 1.00 0.00 O ATOM 0 H GLY A 91 -44.610 89.926 21.077 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -44.632 91.896 22.246 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -43.942 92.757 20.884 1.00 0.00 H new ATOM 1378 N VAL A 92 -46.427 93.618 21.194 1.00 0.00 N ATOM 1379 CA VAL A 92 -47.712 94.190 20.867 1.00 0.00 C ATOM 1380 C VAL A 92 -47.531 95.416 19.985 1.00 0.00 C ATOM 1381 O VAL A 92 -46.470 96.050 20.026 1.00 0.00 O ATOM 1382 CB VAL A 92 -48.538 94.546 22.135 1.00 0.00 C ATOM 1383 CG1 VAL A 92 -48.984 93.286 22.835 1.00 0.00 C ATOM 1384 CG2 VAL A 92 -47.745 95.427 23.087 1.00 0.00 C ATOM 0 H VAL A 92 -45.850 94.206 21.796 1.00 0.00 H new ATOM 0 HA VAL A 92 -48.277 93.435 20.320 1.00 0.00 H new ATOM 0 HB VAL A 92 -49.416 95.108 21.817 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -49.562 93.547 23.722 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -49.603 92.694 22.160 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -48.110 92.705 23.130 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -48.353 95.656 23.962 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -46.841 94.904 23.400 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -47.471 96.354 22.582 1.00 0.00 H new ATOM 1394 N PRO A 93 -48.551 95.774 19.179 1.00 0.00 N ATOM 1395 CA PRO A 93 -48.469 96.921 18.269 1.00 0.00 C ATOM 1396 C PRO A 93 -48.305 98.245 19.062 1.00 0.00 C ATOM 1397 O PRO A 93 -48.572 98.273 20.265 1.00 0.00 O ATOM 1398 CB PRO A 93 -49.801 96.881 17.518 1.00 0.00 C ATOM 1399 CG PRO A 93 -50.719 96.120 18.398 1.00 0.00 C ATOM 1400 CD PRO A 93 -49.874 95.122 19.123 1.00 0.00 C ATOM 0 HA PRO A 93 -47.610 96.874 17.599 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -50.178 97.886 17.331 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -49.692 96.396 16.548 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -51.225 96.784 19.099 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -51.494 95.623 17.815 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -50.263 94.915 20.120 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -49.831 94.170 18.593 1.00 0.00 H new ATOM 1408 N PRO A 94 -47.906 99.373 18.418 1.00 0.00 N ATOM 1409 CA PRO A 94 -47.749 99.490 16.966 1.00 0.00 C ATOM 1410 C PRO A 94 -46.470 98.852 16.444 1.00 0.00 C ATOM 1411 O PRO A 94 -46.231 98.813 15.240 1.00 0.00 O ATOM 1412 CB PRO A 94 -47.744 100.993 16.737 1.00 0.00 C ATOM 1413 CG PRO A 94 -47.143 101.552 17.973 1.00 0.00 C ATOM 1414 CD PRO A 94 -47.537 100.628 19.096 1.00 0.00 C ATOM 0 HA PRO A 94 -48.540 98.964 16.432 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -47.160 101.259 15.856 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -48.753 101.374 16.578 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -46.058 101.613 17.884 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -47.505 102.563 18.157 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -46.714 100.476 19.794 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -48.372 101.031 19.669 1.00 0.00 H new ATOM 1422 N ASN A 95 -45.638 98.382 17.334 1.00 0.00 N ATOM 1423 CA ASN A 95 -44.508 97.608 16.907 1.00 0.00 C ATOM 1424 C ASN A 95 -44.765 96.183 17.189 1.00 0.00 C ATOM 1425 O ASN A 95 -44.337 95.636 18.200 1.00 0.00 O ATOM 1426 CB ASN A 95 -43.174 98.072 17.502 1.00 0.00 C ATOM 1427 CG ASN A 95 -42.631 99.305 16.818 1.00 0.00 C ATOM 1428 OD1 ASN A 95 -41.898 99.201 15.830 1.00 0.00 O ATOM 1429 ND2 ASN A 95 -42.939 100.466 17.331 1.00 0.00 N ATOM 0 H ASN A 95 -45.719 98.519 18.342 1.00 0.00 H new ATOM 0 HA ASN A 95 -44.396 97.759 15.833 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -43.306 98.279 18.564 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -42.445 97.266 17.422 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -42.571 101.321 16.915 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -43.547 100.517 18.148 1.00 0.00 H new ATOM 1436 N GLN A 96 -45.542 95.606 16.327 1.00 0.00 N ATOM 1437 CA GLN A 96 -45.830 94.219 16.380 1.00 0.00 C ATOM 1438 C GLN A 96 -44.926 93.555 15.382 1.00 0.00 C ATOM 1439 O GLN A 96 -44.526 94.189 14.396 1.00 0.00 O ATOM 1440 CB GLN A 96 -47.297 93.923 16.016 1.00 0.00 C ATOM 1441 CG GLN A 96 -47.656 94.202 14.568 1.00 0.00 C ATOM 1442 CD GLN A 96 -47.991 95.635 14.273 1.00 0.00 C ATOM 1443 OE1 GLN A 96 -47.117 96.430 13.967 1.00 0.00 O ATOM 1444 NE2 GLN A 96 -49.246 95.967 14.323 1.00 0.00 N ATOM 0 H GLN A 96 -45.997 96.098 15.558 1.00 0.00 H new ATOM 0 HA GLN A 96 -45.671 93.848 17.392 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -47.508 92.876 16.234 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -47.945 94.519 16.659 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -46.821 93.900 13.936 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -48.507 93.579 14.292 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -49.947 95.273 14.583 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -49.530 96.921 14.102 1.00 0.00 H new ATOM 1453 N ILE A 97 -44.580 92.333 15.613 1.00 0.00 N ATOM 1454 CA ILE A 97 -43.747 91.625 14.675 1.00 0.00 C ATOM 1455 C ILE A 97 -44.429 90.326 14.284 1.00 0.00 C ATOM 1456 O ILE A 97 -44.246 89.299 14.947 1.00 0.00 O ATOM 1457 CB ILE A 97 -42.334 91.346 15.253 1.00 0.00 C ATOM 1458 CG1 ILE A 97 -41.708 92.662 15.722 1.00 0.00 C ATOM 1459 CG2 ILE A 97 -41.445 90.673 14.202 1.00 0.00 C ATOM 1460 CD1 ILE A 97 -40.382 92.535 16.413 1.00 0.00 C ATOM 0 H ILE A 97 -44.855 91.798 16.437 1.00 0.00 H new ATOM 0 HA ILE A 97 -43.612 92.251 13.793 1.00 0.00 H new ATOM 0 HB ILE A 97 -42.423 90.668 16.102 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -41.587 93.315 14.858 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -42.405 93.155 16.399 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -40.459 90.485 14.626 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -41.894 89.728 13.897 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -41.349 91.326 13.335 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -40.027 93.524 16.704 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -40.493 91.913 17.301 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -39.662 92.076 15.736 1.00 0.00 H new ATOM 1472 N PRO A 98 -45.307 90.372 13.278 1.00 0.00 N ATOM 1473 CA PRO A 98 -46.015 89.195 12.811 1.00 0.00 C ATOM 1474 C PRO A 98 -45.094 88.191 12.112 1.00 0.00 C ATOM 1475 O PRO A 98 -44.319 88.546 11.214 1.00 0.00 O ATOM 1476 CB PRO A 98 -47.047 89.760 11.831 1.00 0.00 C ATOM 1477 CG PRO A 98 -46.457 91.037 11.356 1.00 0.00 C ATOM 1478 CD PRO A 98 -45.717 91.589 12.529 1.00 0.00 C ATOM 0 HA PRO A 98 -46.457 88.636 13.636 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -47.224 89.074 11.003 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -48.008 89.925 12.319 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -45.788 90.871 10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -47.231 91.727 11.019 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -44.855 92.180 12.219 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -46.349 92.240 13.134 1.00 0.00 H new ATOM 1486 N GLY A 99 -45.174 86.955 12.538 1.00 0.00 N ATOM 1487 CA GLY A 99 -44.398 85.906 11.932 1.00 0.00 C ATOM 1488 C GLY A 99 -45.094 85.359 10.707 1.00 0.00 C ATOM 1489 O GLY A 99 -46.072 85.964 10.219 1.00 0.00 O ATOM 0 H GLY A 99 -45.772 86.651 13.306 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -43.415 86.288 11.656 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -44.238 85.104 12.653 1.00 0.00 H new ATOM 1493 N VAL A 100 -44.628 84.232 10.223 1.00 0.00 N ATOM 1494 CA VAL A 100 -45.191 83.602 9.041 1.00 0.00 C ATOM 1495 C VAL A 100 -46.648 83.190 9.291 1.00 0.00 C ATOM 1496 O VAL A 100 -46.999 82.699 10.374 1.00 0.00 O ATOM 1497 CB VAL A 100 -44.331 82.372 8.580 1.00 0.00 C ATOM 1498 CG1 VAL A 100 -44.278 81.282 9.639 1.00 0.00 C ATOM 1499 CG2 VAL A 100 -44.810 81.813 7.249 1.00 0.00 C ATOM 0 H VAL A 100 -43.847 83.721 10.635 1.00 0.00 H new ATOM 0 HA VAL A 100 -45.174 84.334 8.233 1.00 0.00 H new ATOM 0 HB VAL A 100 -43.315 82.741 8.439 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -43.672 80.451 9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -43.836 81.682 10.551 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -45.288 80.930 9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -44.188 80.963 6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -45.847 81.489 7.342 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -44.739 82.585 6.483 1.00 0.00 H new ATOM 1509 N ALA A 101 -47.488 83.464 8.324 1.00 0.00 N ATOM 1510 CA ALA A 101 -48.882 83.128 8.404 1.00 0.00 C ATOM 1511 C ALA A 101 -49.086 81.666 8.153 1.00 0.00 C ATOM 1512 O ALA A 101 -48.380 81.057 7.334 1.00 0.00 O ATOM 1513 CB ALA A 101 -49.693 83.946 7.431 1.00 0.00 C ATOM 0 H ALA A 101 -47.220 83.929 7.456 1.00 0.00 H new ATOM 0 HA ALA A 101 -49.226 83.360 9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -50.745 83.671 7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -49.576 85.005 7.660 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -49.346 83.754 6.416 1.00 0.00 H new ATOM 1519 N TRP A 102 -50.041 81.101 8.842 1.00 0.00 N ATOM 1520 CA TRP A 102 -50.348 79.697 8.731 1.00 0.00 C ATOM 1521 C TRP A 102 -51.391 79.442 7.653 1.00 0.00 C ATOM 1522 O TRP A 102 -51.865 78.321 7.484 1.00 0.00 O ATOM 1523 CB TRP A 102 -50.776 79.143 10.098 1.00 0.00 C ATOM 1524 CG TRP A 102 -49.680 79.231 11.129 1.00 0.00 C ATOM 1525 CD1 TRP A 102 -48.339 79.253 10.892 1.00 0.00 C ATOM 1526 CD2 TRP A 102 -49.828 79.273 12.548 1.00 0.00 C ATOM 1527 NE1 TRP A 102 -47.650 79.342 12.070 1.00 0.00 N ATOM 1528 CE2 TRP A 102 -48.538 79.345 13.103 1.00 0.00 C ATOM 1529 CE3 TRP A 102 -50.919 79.265 13.399 1.00 0.00 C ATOM 1530 CZ2 TRP A 102 -48.319 79.408 14.473 1.00 0.00 C ATOM 1531 CZ3 TRP A 102 -50.705 79.321 14.751 1.00 0.00 C ATOM 1532 CH2 TRP A 102 -49.417 79.392 15.281 1.00 0.00 C ATOM 0 H TRP A 102 -50.634 81.605 9.502 1.00 0.00 H new ATOM 0 HA TRP A 102 -49.449 79.164 8.422 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -51.648 79.693 10.452 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -51.080 78.103 9.985 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -47.885 79.207 9.913 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -46.636 79.397 12.160 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -51.923 79.215 13.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -47.321 79.467 14.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -51.552 79.310 15.421 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -49.287 79.435 16.352 1.00 0.00 H new ATOM 1543 N GLY A 103 -51.697 80.477 6.897 1.00 0.00 N ATOM 1544 CA GLY A 103 -52.642 80.368 5.832 1.00 0.00 C ATOM 1545 C GLY A 103 -52.655 81.601 4.978 1.00 0.00 C ATOM 1546 O GLY A 103 -51.673 82.354 4.951 1.00 0.00 O ATOM 0 H GLY A 103 -51.294 81.407 7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -52.400 79.501 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -53.637 80.199 6.243 1.00 0.00 H new ATOM 1550 N VAL A 104 -53.756 81.817 4.306 1.00 0.00 N ATOM 1551 CA VAL A 104 -53.937 82.950 3.409 1.00 0.00 C ATOM 1552 C VAL A 104 -54.963 83.881 4.020 1.00 0.00 C ATOM 1553 O VAL A 104 -55.817 83.439 4.780 1.00 0.00 O ATOM 1554 CB VAL A 104 -54.533 82.500 2.050 1.00 0.00 C ATOM 1555 CG1 VAL A 104 -54.430 83.582 0.986 1.00 0.00 C ATOM 1556 CG2 VAL A 104 -53.978 81.173 1.570 1.00 0.00 C ATOM 0 H VAL A 104 -54.571 81.206 4.361 1.00 0.00 H new ATOM 0 HA VAL A 104 -52.965 83.420 3.261 1.00 0.00 H new ATOM 0 HB VAL A 104 -55.595 82.336 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -54.861 83.218 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -54.973 84.468 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -53.382 83.837 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -54.433 80.912 0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -52.898 81.253 1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -54.203 80.398 2.303 1.00 0.00 H new ATOM 1566 N PHE A 105 -54.898 85.137 3.674 1.00 0.00 N ATOM 1567 CA PHE A 105 -55.832 86.107 4.109 1.00 0.00 C ATOM 1568 C PHE A 105 -56.387 86.795 2.885 1.00 0.00 C ATOM 1569 O PHE A 105 -55.697 87.601 2.250 1.00 0.00 O ATOM 1570 CB PHE A 105 -55.141 87.135 4.973 1.00 0.00 C ATOM 1571 CG PHE A 105 -54.541 86.604 6.237 1.00 0.00 C ATOM 1572 CD1 PHE A 105 -55.343 86.264 7.307 1.00 0.00 C ATOM 1573 CD2 PHE A 105 -53.169 86.459 6.358 1.00 0.00 C ATOM 1574 CE1 PHE A 105 -54.792 85.789 8.473 1.00 0.00 C ATOM 1575 CE2 PHE A 105 -52.614 85.983 7.521 1.00 0.00 C ATOM 1576 CZ PHE A 105 -53.425 85.647 8.578 1.00 0.00 C ATOM 0 H PHE A 105 -54.170 85.512 3.065 1.00 0.00 H new ATOM 0 HA PHE A 105 -56.625 85.630 4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -54.354 87.609 4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -55.860 87.913 5.230 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -56.415 86.372 7.227 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -52.529 86.723 5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -55.429 85.528 9.305 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -51.543 85.873 7.604 1.00 0.00 H new ATOM 0 HZ PHE A 105 -52.991 85.271 9.493 1.00 0.00 H new ATOM 1586 N LYS A 106 -57.567 86.437 2.513 1.00 0.00 N ATOM 1587 CA LYS A 106 -58.232 87.059 1.411 1.00 0.00 C ATOM 1588 C LYS A 106 -58.924 88.282 1.946 1.00 0.00 C ATOM 1589 O LYS A 106 -59.959 88.127 2.608 1.00 0.00 O ATOM 1590 CB LYS A 106 -59.266 86.129 0.768 1.00 0.00 C ATOM 1591 CG LYS A 106 -58.738 84.782 0.323 1.00 0.00 C ATOM 1592 CD LYS A 106 -59.819 83.992 -0.411 1.00 0.00 C ATOM 1593 CE LYS A 106 -59.318 82.647 -0.898 1.00 0.00 C ATOM 1594 NZ LYS A 106 -60.374 81.865 -1.576 1.00 0.00 N1+ ATOM 1595 OXT LYS A 106 -58.428 89.402 1.735 1.00 0.00 O ATOM 0 H LYS A 106 -58.106 85.699 2.966 1.00 0.00 H new ATOM 0 HA LYS A 106 -57.502 87.308 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -60.076 85.966 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -59.698 86.635 -0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -57.877 84.922 -0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -58.393 84.217 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -60.670 83.841 0.253 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -60.177 84.573 -1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -58.485 82.799 -1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -58.934 82.077 -0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -59.983 80.954 -1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -61.159 81.695 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -60.724 82.395 -2.400 1.00 0.00 H new