USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=16 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 85:sc= -1.04 USER MOD Set 1.2: A 83 TYR OH : rot -122:sc= 1.23 USER MOD Single : A 19 THR OG1 : rot 35:sc= 0.169 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -137:sc= 0.166 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.792! K(o=-0.79!,f=-4) USER MOD Single : A 32 ASN : amide:sc= -0.99 K(o=-0.99,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0345 K(o=-0.035,f=-1.3!) USER MOD Single : A 37 THR OG1 : rot -64:sc= 1.15 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.686 K(o=-0.69,f=0) USER MOD Single : A 51 ASN : amide:sc= -2.61! K(o=-2.6!,f=-0.15) USER MOD Single : A 57 THR OG1 : rot 48:sc= 0.0995 USER MOD Single : A 60 TYR OH : rot -154:sc= 0.778 USER MOD Single : A 66 GLN : amide:sc= -1.88 K(o=-1.9,f=-0.33) USER MOD Single : A 69 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.9!) USER MOD Single : A 74 TYR OH : rot 130:sc= 0 USER MOD Single : A 84 CYS SG : rot -160:sc= -2.6! USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 89 CYS SG : rot -90:sc= -1.58! USER MOD Single : A 90 GLN : amide:sc= -3.36! K(o=-3.4!,f=-0.028) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.608 X(o=-0.61,f=-0.27) USER MOD Single : A 106 LYS NZ :NH3+ -172:sc=-0.00596 (180deg=-0.0913) USER MOD ----------------------------------------------------------------- ATOM 283 N THR A 19 -55.654 92.889 25.166 1.00 0.00 N ATOM 284 CA THR A 19 -55.508 92.357 23.868 1.00 0.00 C ATOM 285 C THR A 19 -55.716 93.481 22.867 1.00 0.00 C ATOM 286 O THR A 19 -56.572 94.342 23.070 1.00 0.00 O ATOM 287 CB THR A 19 -56.563 91.270 23.659 1.00 0.00 C ATOM 288 OG1 THR A 19 -56.427 90.278 24.690 1.00 0.00 O ATOM 289 CG2 THR A 19 -56.434 90.621 22.296 1.00 0.00 C ATOM 0 HA THR A 19 -54.516 91.924 23.735 1.00 0.00 H new ATOM 0 HB THR A 19 -57.549 91.732 23.711 1.00 0.00 H new ATOM 0 HG1 THR A 19 -56.151 90.710 25.525 1.00 0.00 H new ATOM 0 HG21 THR A 19 -57.200 89.854 22.184 1.00 0.00 H new ATOM 0 HG22 THR A 19 -56.560 91.376 21.520 1.00 0.00 H new ATOM 0 HG23 THR A 19 -55.448 90.165 22.202 1.00 0.00 H new ATOM 297 N TRP A 20 -54.917 93.509 21.851 1.00 0.00 N ATOM 298 CA TRP A 20 -55.063 94.485 20.812 1.00 0.00 C ATOM 299 C TRP A 20 -55.896 93.880 19.732 1.00 0.00 C ATOM 300 O TRP A 20 -55.677 92.722 19.374 1.00 0.00 O ATOM 301 CB TRP A 20 -53.710 94.879 20.267 1.00 0.00 C ATOM 302 CG TRP A 20 -52.826 95.529 21.279 1.00 0.00 C ATOM 303 CD1 TRP A 20 -52.054 94.910 22.211 1.00 0.00 C ATOM 304 CD2 TRP A 20 -52.617 96.925 21.447 1.00 0.00 C ATOM 305 NE1 TRP A 20 -51.374 95.837 22.948 1.00 0.00 N ATOM 306 CE2 TRP A 20 -51.702 97.086 22.502 1.00 0.00 C ATOM 307 CE3 TRP A 20 -53.115 98.056 20.808 1.00 0.00 C ATOM 308 CZ2 TRP A 20 -51.274 98.335 22.930 1.00 0.00 C ATOM 309 CZ3 TRP A 20 -52.692 99.291 21.231 1.00 0.00 C ATOM 310 CH2 TRP A 20 -51.780 99.425 22.285 1.00 0.00 C ATOM 0 H TRP A 20 -54.144 92.858 21.714 1.00 0.00 H new ATOM 0 HA TRP A 20 -55.541 95.383 21.203 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -53.212 93.991 19.878 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -53.850 95.560 19.428 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -51.988 93.841 22.349 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -50.726 95.630 23.708 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -53.820 97.964 19.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -50.569 98.440 23.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -53.070 100.177 20.742 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -51.471 100.413 22.594 1.00 0.00 H new ATOM 321 N TYR A 21 -56.849 94.614 19.244 1.00 0.00 N ATOM 322 CA TYR A 21 -57.737 94.112 18.236 1.00 0.00 C ATOM 323 C TYR A 21 -57.981 95.149 17.178 1.00 0.00 C ATOM 324 O TYR A 21 -57.712 96.349 17.381 1.00 0.00 O ATOM 325 CB TYR A 21 -59.098 93.697 18.852 1.00 0.00 C ATOM 326 CG TYR A 21 -59.933 94.848 19.413 1.00 0.00 C ATOM 327 CD1 TYR A 21 -60.913 95.462 18.635 1.00 0.00 C ATOM 328 CD2 TYR A 21 -59.740 95.319 20.703 1.00 0.00 C ATOM 329 CE1 TYR A 21 -61.665 96.506 19.127 1.00 0.00 C ATOM 330 CE2 TYR A 21 -60.494 96.368 21.199 1.00 0.00 C ATOM 331 CZ TYR A 21 -61.453 96.955 20.405 1.00 0.00 C ATOM 332 OH TYR A 21 -62.216 97.996 20.901 1.00 0.00 O ATOM 0 H TYR A 21 -57.034 95.575 19.531 1.00 0.00 H new ATOM 0 HA TYR A 21 -57.261 93.239 17.789 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -59.683 93.182 18.089 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -58.914 92.979 19.651 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -61.086 95.113 17.628 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -58.990 94.860 21.330 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -62.419 96.969 18.508 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -60.331 96.725 22.205 1.00 0.00 H new ATOM 0 HH TYR A 21 -61.942 98.193 21.821 1.00 0.00 H new ATOM 342 N LYS A 22 -58.470 94.686 16.068 1.00 0.00 N ATOM 343 CA LYS A 22 -58.955 95.514 15.011 1.00 0.00 C ATOM 344 C LYS A 22 -59.963 94.684 14.233 1.00 0.00 C ATOM 345 O LYS A 22 -59.817 93.456 14.145 1.00 0.00 O ATOM 346 CB LYS A 22 -57.838 96.013 14.053 1.00 0.00 C ATOM 347 CG LYS A 22 -57.243 94.940 13.165 1.00 0.00 C ATOM 348 CD LYS A 22 -56.308 95.526 12.120 1.00 0.00 C ATOM 349 CE LYS A 22 -55.799 94.444 11.181 1.00 0.00 C ATOM 350 NZ LYS A 22 -54.985 94.997 10.076 1.00 0.00 N1+ ATOM 0 H LYS A 22 -58.544 93.688 15.869 1.00 0.00 H new ATOM 0 HA LYS A 22 -59.396 96.412 15.444 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -58.245 96.804 13.422 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -57.040 96.458 14.647 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -56.698 94.222 13.778 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -58.045 94.393 12.669 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -56.830 96.293 11.548 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -55.466 96.013 12.612 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -55.202 93.727 11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -56.646 93.897 10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -55.247 94.530 9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -55.158 96.019 9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -53.977 94.831 10.270 1.00 0.00 H new ATOM 364 N PRO A 23 -61.004 95.301 13.721 1.00 0.00 N ATOM 365 CA PRO A 23 -61.969 94.620 12.888 1.00 0.00 C ATOM 366 C PRO A 23 -61.396 94.416 11.486 1.00 0.00 C ATOM 367 O PRO A 23 -60.812 95.337 10.897 1.00 0.00 O ATOM 368 CB PRO A 23 -63.154 95.583 12.853 1.00 0.00 C ATOM 369 CG PRO A 23 -62.554 96.928 13.068 1.00 0.00 C ATOM 370 CD PRO A 23 -61.330 96.711 13.918 1.00 0.00 C ATOM 0 HA PRO A 23 -62.241 93.632 13.259 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -63.678 95.531 11.899 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -63.881 95.345 13.630 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -62.291 97.393 12.118 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -63.260 97.594 13.564 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -60.509 97.357 13.607 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -61.529 96.931 14.967 1.00 0.00 H new ATOM 378 N GLU A 24 -61.514 93.233 10.978 1.00 0.00 N ATOM 379 CA GLU A 24 -61.024 92.925 9.662 1.00 0.00 C ATOM 380 C GLU A 24 -61.867 91.813 9.112 1.00 0.00 C ATOM 381 O GLU A 24 -61.979 90.771 9.729 1.00 0.00 O ATOM 382 CB GLU A 24 -59.538 92.510 9.744 1.00 0.00 C ATOM 383 CG GLU A 24 -58.875 92.193 8.397 1.00 0.00 C ATOM 384 CD GLU A 24 -57.373 91.966 8.504 1.00 0.00 C ATOM 385 OE1 GLU A 24 -56.918 90.804 8.564 1.00 0.00 O ATOM 386 OE2 GLU A 24 -56.604 92.964 8.515 1.00 0.00 O1- ATOM 0 H GLU A 24 -61.952 92.448 11.459 1.00 0.00 H new ATOM 0 HA GLU A 24 -61.088 93.793 9.006 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -58.979 93.312 10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -59.457 91.633 10.387 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -59.340 91.304 7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -59.063 93.014 7.705 1.00 0.00 H new ATOM 393 N ASN A 25 -62.458 92.027 7.976 1.00 0.00 N ATOM 394 CA ASN A 25 -63.318 91.030 7.392 1.00 0.00 C ATOM 395 C ASN A 25 -62.598 90.388 6.245 1.00 0.00 C ATOM 396 O ASN A 25 -62.328 91.040 5.218 1.00 0.00 O ATOM 397 CB ASN A 25 -64.629 91.644 6.896 1.00 0.00 C ATOM 398 CG ASN A 25 -65.663 90.586 6.532 1.00 0.00 C ATOM 399 OD1 ASN A 25 -65.695 90.079 5.411 1.00 0.00 O ATOM 400 ND2 ASN A 25 -66.535 90.278 7.464 1.00 0.00 N ATOM 0 H ASN A 25 -62.363 92.883 7.430 1.00 0.00 H new ATOM 0 HA ASN A 25 -63.564 90.290 8.153 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -65.037 92.297 7.668 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -64.429 92.268 6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -67.270 89.598 7.270 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -66.477 90.719 8.382 1.00 0.00 H new ATOM 407 N ALA A 26 -62.238 89.159 6.409 1.00 0.00 N ATOM 408 CA ALA A 26 -61.533 88.453 5.372 1.00 0.00 C ATOM 409 C ALA A 26 -61.735 86.976 5.506 1.00 0.00 C ATOM 410 O ALA A 26 -62.241 86.493 6.535 1.00 0.00 O ATOM 411 CB ALA A 26 -60.042 88.798 5.373 1.00 0.00 C ATOM 0 H ALA A 26 -62.418 88.614 7.252 1.00 0.00 H new ATOM 0 HA ALA A 26 -61.945 88.773 4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -59.541 88.247 4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -59.916 89.868 5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -59.606 88.525 6.334 1.00 0.00 H new ATOM 417 N THR A 27 -61.372 86.270 4.483 1.00 0.00 N ATOM 418 CA THR A 27 -61.470 84.854 4.472 1.00 0.00 C ATOM 419 C THR A 27 -60.095 84.230 4.678 1.00 0.00 C ATOM 420 O THR A 27 -59.178 84.436 3.888 1.00 0.00 O ATOM 421 CB THR A 27 -62.115 84.361 3.157 1.00 0.00 C ATOM 422 OG1 THR A 27 -63.459 84.861 3.062 1.00 0.00 O ATOM 423 CG2 THR A 27 -62.105 82.844 3.049 1.00 0.00 C ATOM 0 H THR A 27 -60.995 86.670 3.624 1.00 0.00 H new ATOM 0 HA THR A 27 -62.113 84.541 5.294 1.00 0.00 H new ATOM 0 HB THR A 27 -61.521 84.745 2.328 1.00 0.00 H new ATOM 0 HG1 THR A 27 -63.866 84.549 2.227 1.00 0.00 H new ATOM 0 HG21 THR A 27 -62.568 82.543 2.109 1.00 0.00 H new ATOM 0 HG22 THR A 27 -61.077 82.484 3.078 1.00 0.00 H new ATOM 0 HG23 THR A 27 -62.663 82.416 3.882 1.00 0.00 H new ATOM 431 N PHE A 28 -59.981 83.483 5.722 1.00 0.00 N ATOM 432 CA PHE A 28 -58.780 82.810 6.067 1.00 0.00 C ATOM 433 C PHE A 28 -58.885 81.387 5.613 1.00 0.00 C ATOM 434 O PHE A 28 -59.805 80.674 5.986 1.00 0.00 O ATOM 435 CB PHE A 28 -58.533 82.878 7.591 1.00 0.00 C ATOM 436 CG PHE A 28 -57.428 81.970 8.093 1.00 0.00 C ATOM 437 CD1 PHE A 28 -57.735 80.807 8.789 1.00 0.00 C ATOM 438 CD2 PHE A 28 -56.099 82.272 7.869 1.00 0.00 C ATOM 439 CE1 PHE A 28 -56.741 79.967 9.241 1.00 0.00 C ATOM 440 CE2 PHE A 28 -55.098 81.434 8.321 1.00 0.00 C ATOM 441 CZ PHE A 28 -55.420 80.280 9.009 1.00 0.00 C ATOM 0 H PHE A 28 -60.745 83.320 6.378 1.00 0.00 H new ATOM 0 HA PHE A 28 -57.935 83.293 5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -58.291 83.906 7.861 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -59.458 82.622 8.107 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -58.769 80.558 8.978 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -55.839 83.174 7.334 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -56.997 79.065 9.776 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -54.063 81.681 8.136 1.00 0.00 H new ATOM 0 HZ PHE A 28 -54.638 79.625 9.364 1.00 0.00 H new ATOM 451 N VAL A 29 -57.998 81.010 4.770 1.00 0.00 N ATOM 452 CA VAL A 29 -57.923 79.658 4.303 1.00 0.00 C ATOM 453 C VAL A 29 -56.720 79.056 4.949 1.00 0.00 C ATOM 454 O VAL A 29 -55.608 79.466 4.665 1.00 0.00 O ATOM 455 CB VAL A 29 -57.798 79.575 2.755 1.00 0.00 C ATOM 456 CG1 VAL A 29 -57.611 78.152 2.282 1.00 0.00 C ATOM 457 CG2 VAL A 29 -59.008 80.197 2.088 1.00 0.00 C ATOM 0 H VAL A 29 -57.291 81.630 4.374 1.00 0.00 H new ATOM 0 HA VAL A 29 -58.837 79.124 4.562 1.00 0.00 H new ATOM 0 HB VAL A 29 -56.909 80.137 2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -57.528 78.138 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -56.703 77.739 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -58.467 77.551 2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -58.902 80.129 1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -59.908 79.666 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -59.086 81.244 2.380 1.00 0.00 H new ATOM 467 N ASN A 30 -56.949 78.154 5.861 1.00 0.00 N ATOM 468 CA ASN A 30 -55.879 77.516 6.608 1.00 0.00 C ATOM 469 C ASN A 30 -54.944 76.757 5.661 1.00 0.00 C ATOM 470 O ASN A 30 -55.377 76.270 4.610 1.00 0.00 O ATOM 471 CB ASN A 30 -56.470 76.588 7.675 1.00 0.00 C ATOM 472 CG ASN A 30 -55.412 75.987 8.568 1.00 0.00 C ATOM 473 OD1 ASN A 30 -54.354 76.554 8.762 1.00 0.00 O ATOM 474 ND2 ASN A 30 -55.705 74.872 9.152 1.00 0.00 N ATOM 0 H ASN A 30 -57.883 77.833 6.115 1.00 0.00 H new ATOM 0 HA ASN A 30 -55.288 78.280 7.112 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -57.181 77.146 8.284 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -57.027 75.788 7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -55.040 74.444 9.796 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -56.601 74.420 8.969 1.00 0.00 H new ATOM 481 N GLY A 31 -53.687 76.688 6.016 1.00 0.00 N ATOM 482 CA GLY A 31 -52.700 76.073 5.181 1.00 0.00 C ATOM 483 C GLY A 31 -52.595 74.577 5.368 1.00 0.00 C ATOM 484 O GLY A 31 -53.596 73.864 5.390 1.00 0.00 O ATOM 0 H GLY A 31 -53.323 77.058 6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -52.936 76.285 4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -51.730 76.525 5.386 1.00 0.00 H new ATOM 488 N ASN A 32 -51.380 74.106 5.544 1.00 0.00 N ATOM 489 CA ASN A 32 -51.099 72.665 5.581 1.00 0.00 C ATOM 490 C ASN A 32 -51.179 72.072 6.973 1.00 0.00 C ATOM 491 O ASN A 32 -51.094 70.845 7.129 1.00 0.00 O ATOM 492 CB ASN A 32 -49.721 72.343 4.981 1.00 0.00 C ATOM 493 CG ASN A 32 -49.624 72.433 3.456 1.00 0.00 C ATOM 494 OD1 ASN A 32 -48.824 71.737 2.848 1.00 0.00 O ATOM 495 ND2 ASN A 32 -50.412 73.260 2.832 1.00 0.00 N ATOM 0 H ASN A 32 -50.557 74.696 5.666 1.00 0.00 H new ATOM 0 HA ASN A 32 -51.883 72.208 4.977 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -48.988 73.024 5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -49.439 71.335 5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -50.369 73.337 1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -51.072 73.831 3.359 1.00 0.00 H new ATOM 502 N GLN A 33 -51.326 72.894 7.978 1.00 0.00 N ATOM 503 CA GLN A 33 -51.407 72.390 9.324 1.00 0.00 C ATOM 504 C GLN A 33 -52.714 72.777 9.973 1.00 0.00 C ATOM 505 O GLN A 33 -53.217 73.859 9.737 1.00 0.00 O ATOM 506 CB GLN A 33 -50.241 72.875 10.185 1.00 0.00 C ATOM 507 CG GLN A 33 -50.091 74.386 10.297 1.00 0.00 C ATOM 508 CD GLN A 33 -49.110 74.773 11.379 1.00 0.00 C ATOM 509 OE1 GLN A 33 -48.964 74.064 12.385 1.00 0.00 O ATOM 510 NE2 GLN A 33 -48.433 75.869 11.205 1.00 0.00 N ATOM 0 H GLN A 33 -51.392 73.908 7.892 1.00 0.00 H new ATOM 0 HA GLN A 33 -51.352 71.304 9.256 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -50.357 72.464 11.188 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -49.317 72.465 9.778 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -49.757 74.790 9.341 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -51.062 74.833 10.510 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -48.577 76.430 10.365 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -47.757 76.168 11.908 1.00 0.00 H new ATOM 519 N PRO A 34 -53.312 71.879 10.754 1.00 0.00 N ATOM 520 CA PRO A 34 -54.497 72.199 11.529 1.00 0.00 C ATOM 521 C PRO A 34 -54.160 73.162 12.674 1.00 0.00 C ATOM 522 O PRO A 34 -53.027 73.184 13.199 1.00 0.00 O ATOM 523 CB PRO A 34 -54.975 70.842 12.052 1.00 0.00 C ATOM 524 CG PRO A 34 -53.751 69.995 12.067 1.00 0.00 C ATOM 525 CD PRO A 34 -52.906 70.471 10.920 1.00 0.00 C ATOM 0 HA PRO A 34 -55.263 72.706 10.942 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -55.408 70.931 13.048 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -55.744 70.417 11.407 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -53.218 70.096 13.013 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -54.004 68.941 11.954 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -51.842 70.384 11.142 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -53.092 69.890 10.016 1.00 0.00 H new ATOM 533 N ILE A 35 -55.120 73.949 13.038 1.00 0.00 N ATOM 534 CA ILE A 35 -54.938 74.994 14.009 1.00 0.00 C ATOM 535 C ILE A 35 -55.805 74.699 15.233 1.00 0.00 C ATOM 536 O ILE A 35 -56.912 74.219 15.094 1.00 0.00 O ATOM 537 CB ILE A 35 -55.403 76.323 13.398 1.00 0.00 C ATOM 538 CG1 ILE A 35 -54.748 76.534 12.035 1.00 0.00 C ATOM 539 CG2 ILE A 35 -55.104 77.479 14.325 1.00 0.00 C ATOM 540 CD1 ILE A 35 -53.317 77.001 12.039 1.00 0.00 C ATOM 0 H ILE A 35 -56.068 73.888 12.668 1.00 0.00 H new ATOM 0 HA ILE A 35 -53.888 75.051 14.296 1.00 0.00 H new ATOM 0 HB ILE A 35 -56.483 76.280 13.260 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -54.798 75.595 11.484 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -55.342 77.261 11.481 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -55.443 78.409 13.868 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -55.623 77.329 15.272 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -54.030 77.534 14.504 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -52.968 77.113 11.012 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -53.249 77.960 12.552 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -52.697 76.268 12.555 1.00 0.00 H new ATOM 552 N VAL A 36 -55.319 74.961 16.404 1.00 0.00 N ATOM 553 CA VAL A 36 -56.122 74.766 17.607 1.00 0.00 C ATOM 554 C VAL A 36 -56.819 76.095 17.937 1.00 0.00 C ATOM 555 O VAL A 36 -56.160 77.091 18.206 1.00 0.00 O ATOM 556 CB VAL A 36 -55.261 74.314 18.820 1.00 0.00 C ATOM 557 CG1 VAL A 36 -56.131 74.084 20.054 1.00 0.00 C ATOM 558 CG2 VAL A 36 -54.473 73.056 18.484 1.00 0.00 C ATOM 0 H VAL A 36 -54.375 75.310 16.571 1.00 0.00 H new ATOM 0 HA VAL A 36 -56.848 73.976 17.416 1.00 0.00 H new ATOM 0 HB VAL A 36 -54.555 75.114 19.045 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -55.504 73.769 20.888 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -56.644 75.010 20.315 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -56.867 73.309 19.841 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -53.878 72.758 19.347 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -55.163 72.253 18.224 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -53.813 73.255 17.640 1.00 0.00 H new ATOM 568 N THR A 37 -58.130 76.101 17.903 1.00 0.00 N ATOM 569 CA THR A 37 -58.891 77.326 18.086 1.00 0.00 C ATOM 570 C THR A 37 -59.381 77.472 19.543 1.00 0.00 C ATOM 571 O THR A 37 -59.483 76.470 20.276 1.00 0.00 O ATOM 572 CB THR A 37 -60.080 77.376 17.087 1.00 0.00 C ATOM 573 OG1 THR A 37 -60.973 76.272 17.311 1.00 0.00 O ATOM 574 CG2 THR A 37 -59.571 77.302 15.654 1.00 0.00 C ATOM 0 H THR A 37 -58.700 75.269 17.750 1.00 0.00 H new ATOM 0 HA THR A 37 -58.232 78.170 17.880 1.00 0.00 H new ATOM 0 HB THR A 37 -60.610 78.316 17.245 1.00 0.00 H new ATOM 0 HG1 THR A 37 -60.506 75.431 17.126 1.00 0.00 H new ATOM 0 HG21 THR A 37 -60.415 77.338 14.966 1.00 0.00 H new ATOM 0 HG22 THR A 37 -58.908 78.145 15.459 1.00 0.00 H new ATOM 0 HG23 THR A 37 -59.025 76.370 15.510 1.00 0.00 H new ATOM 582 N ARG A 38 -59.696 78.694 19.956 1.00 0.00 N ATOM 583 CA ARG A 38 -60.103 78.991 21.338 1.00 0.00 C ATOM 584 C ARG A 38 -61.386 79.805 21.325 1.00 0.00 C ATOM 585 O ARG A 38 -61.684 80.448 20.338 1.00 0.00 O ATOM 586 CB ARG A 38 -58.994 79.765 22.080 1.00 0.00 C ATOM 587 CG ARG A 38 -57.658 79.028 22.198 1.00 0.00 C ATOM 588 CD ARG A 38 -57.773 77.780 23.054 1.00 0.00 C ATOM 589 NE ARG A 38 -56.514 77.018 23.106 1.00 0.00 N ATOM 590 CZ ARG A 38 -56.216 76.089 24.030 1.00 0.00 C ATOM 591 NH1 ARG A 38 -56.985 75.934 25.102 1.00 0.00 N1+ ATOM 592 NH2 ARG A 38 -55.118 75.363 23.907 1.00 0.00 N ATOM 0 H ARG A 38 -59.679 79.512 19.347 1.00 0.00 H new ATOM 0 HA ARG A 38 -60.273 78.051 21.863 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -58.826 80.711 21.565 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -59.348 80.006 23.082 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -57.305 78.755 21.204 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -56.912 79.696 22.629 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -58.066 78.062 24.065 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -58.564 77.143 22.659 1.00 0.00 H new ATOM 0 HE ARG A 38 -55.816 77.210 22.387 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -57.809 76.522 25.228 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -56.752 75.227 25.799 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -54.497 75.508 23.111 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -54.892 74.658 24.608 1.00 0.00 H new ATOM 606 N ILE A 39 -62.144 79.766 22.399 1.00 0.00 N ATOM 607 CA ILE A 39 -63.425 80.457 22.436 1.00 0.00 C ATOM 608 C ILE A 39 -63.479 81.586 23.468 1.00 0.00 C ATOM 609 O ILE A 39 -62.928 81.482 24.574 1.00 0.00 O ATOM 610 CB ILE A 39 -64.613 79.465 22.633 1.00 0.00 C ATOM 611 CG1 ILE A 39 -64.650 78.497 21.459 1.00 0.00 C ATOM 612 CG2 ILE A 39 -65.952 80.201 22.754 1.00 0.00 C ATOM 613 CD1 ILE A 39 -65.794 77.521 21.482 1.00 0.00 C ATOM 0 H ILE A 39 -61.902 79.268 23.256 1.00 0.00 H new ATOM 0 HA ILE A 39 -63.530 80.927 21.458 1.00 0.00 H new ATOM 0 HB ILE A 39 -64.458 78.919 23.564 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -64.700 79.072 20.534 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -63.714 77.938 21.437 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -66.755 79.476 22.890 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -65.921 80.874 23.611 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -66.134 80.777 21.847 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -65.737 76.873 20.607 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -65.737 76.915 22.386 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -66.738 78.066 21.469 1.00 0.00 H new ATOM 625 N GLY A 40 -64.075 82.695 23.039 1.00 0.00 N ATOM 626 CA GLY A 40 -64.346 83.855 23.855 1.00 0.00 C ATOM 627 C GLY A 40 -63.166 84.760 23.984 1.00 0.00 C ATOM 628 O GLY A 40 -63.287 85.983 23.972 1.00 0.00 O ATOM 0 H GLY A 40 -64.391 82.806 22.076 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -65.179 84.411 23.424 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -64.659 83.530 24.847 1.00 0.00 H new ATOM 632 N SER A 41 -62.035 84.165 24.060 1.00 0.00 N ATOM 633 CA SER A 41 -60.816 84.858 24.357 1.00 0.00 C ATOM 634 C SER A 41 -59.657 84.363 23.473 1.00 0.00 C ATOM 635 O SER A 41 -59.641 83.198 23.067 1.00 0.00 O ATOM 636 CB SER A 41 -60.468 84.642 25.827 1.00 0.00 C ATOM 637 OG SER A 41 -61.595 84.851 26.679 1.00 0.00 O ATOM 0 H SER A 41 -61.917 83.162 23.916 1.00 0.00 H new ATOM 0 HA SER A 41 -60.962 85.919 24.153 1.00 0.00 H new ATOM 0 HB2 SER A 41 -60.092 83.628 25.965 1.00 0.00 H new ATOM 0 HB3 SER A 41 -59.666 85.322 26.114 1.00 0.00 H new ATOM 0 HG SER A 41 -61.332 84.702 27.611 1.00 0.00 H new ATOM 643 N PRO A 42 -58.667 85.230 23.183 1.00 0.00 N ATOM 644 CA PRO A 42 -57.490 84.870 22.410 1.00 0.00 C ATOM 645 C PRO A 42 -56.324 84.454 23.326 1.00 0.00 C ATOM 646 O PRO A 42 -55.195 84.915 23.174 1.00 0.00 O ATOM 647 CB PRO A 42 -57.151 86.181 21.685 1.00 0.00 C ATOM 648 CG PRO A 42 -57.844 87.278 22.440 1.00 0.00 C ATOM 649 CD PRO A 42 -58.614 86.646 23.567 1.00 0.00 C ATOM 0 HA PRO A 42 -57.661 84.024 21.744 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -56.074 86.345 21.664 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -57.489 86.150 20.649 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -57.118 87.993 22.827 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -58.515 87.830 21.782 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -58.113 86.785 24.525 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -59.611 87.075 23.664 1.00 0.00 H new ATOM 657 N PHE A 43 -56.602 83.567 24.253 1.00 0.00 N ATOM 658 CA PHE A 43 -55.587 83.088 25.173 1.00 0.00 C ATOM 659 C PHE A 43 -55.460 81.599 25.042 1.00 0.00 C ATOM 660 O PHE A 43 -56.425 80.914 24.700 1.00 0.00 O ATOM 661 CB PHE A 43 -55.909 83.425 26.630 1.00 0.00 C ATOM 662 CG PHE A 43 -55.981 84.889 26.945 1.00 0.00 C ATOM 663 CD1 PHE A 43 -54.837 85.614 27.210 1.00 0.00 C ATOM 664 CD2 PHE A 43 -57.192 85.530 26.983 1.00 0.00 C ATOM 665 CE1 PHE A 43 -54.911 86.960 27.507 1.00 0.00 C ATOM 666 CE2 PHE A 43 -57.280 86.875 27.276 1.00 0.00 C ATOM 667 CZ PHE A 43 -56.135 87.592 27.537 1.00 0.00 C ATOM 0 H PHE A 43 -57.526 83.159 24.393 1.00 0.00 H new ATOM 0 HA PHE A 43 -54.654 83.588 24.912 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -56.863 82.966 26.890 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -55.152 82.969 27.268 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -53.875 85.124 27.185 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -58.094 84.972 26.780 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -54.010 87.517 27.716 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -58.243 87.363 27.300 1.00 0.00 H new ATOM 0 HZ PHE A 43 -56.195 88.646 27.764 1.00 0.00 H new ATOM 677 N LEU A 44 -54.297 81.095 25.351 1.00 0.00 N ATOM 678 CA LEU A 44 -54.016 79.675 25.243 1.00 0.00 C ATOM 679 C LEU A 44 -54.625 78.884 26.406 1.00 0.00 C ATOM 680 O LEU A 44 -54.622 77.659 26.409 1.00 0.00 O ATOM 681 CB LEU A 44 -52.513 79.453 25.142 1.00 0.00 C ATOM 682 CG LEU A 44 -51.831 80.134 23.950 1.00 0.00 C ATOM 683 CD1 LEU A 44 -50.341 79.928 24.000 1.00 0.00 C ATOM 684 CD2 LEU A 44 -52.389 79.608 22.642 1.00 0.00 C ATOM 0 H LEU A 44 -53.511 81.652 25.686 1.00 0.00 H new ATOM 0 HA LEU A 44 -54.486 79.300 24.334 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -52.047 79.811 26.060 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -52.323 78.381 25.085 1.00 0.00 H new ATOM 0 HG LEU A 44 -52.035 81.203 24.010 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -49.877 80.419 23.145 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -49.946 80.354 24.922 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -50.120 78.861 23.969 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -51.892 80.104 21.809 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -52.218 78.533 22.579 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -53.460 79.808 22.597 1.00 0.00 H new ATOM 696 N ASN A 45 -55.137 79.591 27.397 1.00 0.00 N ATOM 697 CA ASN A 45 -55.776 78.946 28.552 1.00 0.00 C ATOM 698 C ASN A 45 -57.299 79.049 28.453 1.00 0.00 C ATOM 699 O ASN A 45 -58.042 78.626 29.358 1.00 0.00 O ATOM 700 CB ASN A 45 -55.280 79.540 29.886 1.00 0.00 C ATOM 701 CG ASN A 45 -53.783 79.345 30.162 1.00 0.00 C ATOM 702 OD1 ASN A 45 -53.158 80.170 30.823 1.00 0.00 O ATOM 703 ND2 ASN A 45 -53.202 78.267 29.684 1.00 0.00 N ATOM 0 H ASN A 45 -55.128 80.610 27.434 1.00 0.00 H new ATOM 0 HA ASN A 45 -55.494 77.893 28.535 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -55.501 80.607 29.896 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -55.847 79.090 30.701 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -52.211 78.101 29.859 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -53.742 77.596 29.138 1.00 0.00 H new ATOM 710 N ALA A 46 -57.761 79.591 27.342 1.00 0.00 N ATOM 711 CA ALA A 46 -59.179 79.735 27.073 1.00 0.00 C ATOM 712 C ALA A 46 -59.718 78.389 26.569 1.00 0.00 C ATOM 713 O ALA A 46 -58.929 77.557 26.099 1.00 0.00 O ATOM 714 CB ALA A 46 -59.387 80.836 26.031 1.00 0.00 C ATOM 0 H ALA A 46 -57.160 79.945 26.598 1.00 0.00 H new ATOM 0 HA ALA A 46 -59.718 80.017 27.978 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -60.452 80.947 25.826 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -58.991 81.777 26.412 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -58.867 80.569 25.111 1.00 0.00 H new ATOM 720 N PRO A 47 -61.044 78.137 26.663 1.00 0.00 N ATOM 721 CA PRO A 47 -61.641 76.864 26.222 1.00 0.00 C ATOM 722 C PRO A 47 -61.352 76.581 24.747 1.00 0.00 C ATOM 723 O PRO A 47 -61.349 77.503 23.908 1.00 0.00 O ATOM 724 CB PRO A 47 -63.153 77.069 26.441 1.00 0.00 C ATOM 725 CG PRO A 47 -63.323 78.544 26.563 1.00 0.00 C ATOM 726 CD PRO A 47 -62.069 79.042 27.208 1.00 0.00 C ATOM 0 HA PRO A 47 -61.236 76.013 26.770 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -63.731 76.672 25.607 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -63.496 76.556 27.339 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -63.470 79.004 25.586 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -64.198 78.789 27.166 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -61.868 80.082 26.953 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -62.123 78.985 28.295 1.00 0.00 H new ATOM 734 N VAL A 48 -61.077 75.332 24.444 1.00 0.00 N ATOM 735 CA VAL A 48 -60.758 74.925 23.099 1.00 0.00 C ATOM 736 C VAL A 48 -62.028 74.919 22.262 1.00 0.00 C ATOM 737 O VAL A 48 -63.040 74.306 22.640 1.00 0.00 O ATOM 738 CB VAL A 48 -60.095 73.514 23.059 1.00 0.00 C ATOM 739 CG1 VAL A 48 -59.675 73.137 21.643 1.00 0.00 C ATOM 740 CG2 VAL A 48 -58.902 73.433 23.997 1.00 0.00 C ATOM 0 H VAL A 48 -61.069 74.572 25.124 1.00 0.00 H new ATOM 0 HA VAL A 48 -60.040 75.637 22.692 1.00 0.00 H new ATOM 0 HB VAL A 48 -60.846 72.800 23.397 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -59.216 72.148 21.651 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -60.551 73.126 20.994 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -58.957 73.867 21.270 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -58.464 72.436 23.944 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -58.157 74.173 23.703 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -59.228 73.632 25.018 1.00 0.00 H new ATOM 750 N GLY A 49 -61.981 75.610 21.152 1.00 0.00 N ATOM 751 CA GLY A 49 -63.112 75.671 20.266 1.00 0.00 C ATOM 752 C GLY A 49 -63.109 74.529 19.305 1.00 0.00 C ATOM 753 O GLY A 49 -64.109 74.242 18.646 1.00 0.00 O ATOM 0 H GLY A 49 -61.167 76.140 20.840 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -64.034 75.657 20.848 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -63.096 76.612 19.716 1.00 0.00 H new ATOM 757 N GLY A 50 -61.993 73.878 19.233 1.00 0.00 N ATOM 758 CA GLY A 50 -61.834 72.775 18.363 1.00 0.00 C ATOM 759 C GLY A 50 -60.593 72.951 17.561 1.00 0.00 C ATOM 760 O GLY A 50 -59.832 73.905 17.786 1.00 0.00 O ATOM 0 H GLY A 50 -61.165 74.104 19.783 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -61.781 71.850 18.937 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -62.697 72.691 17.703 1.00 0.00 H new ATOM 764 N ASN A 51 -60.341 72.070 16.677 1.00 0.00 N ATOM 765 CA ASN A 51 -59.207 72.215 15.819 1.00 0.00 C ATOM 766 C ASN A 51 -59.705 72.544 14.460 1.00 0.00 C ATOM 767 O ASN A 51 -60.623 71.899 13.957 1.00 0.00 O ATOM 768 CB ASN A 51 -58.356 70.947 15.754 1.00 0.00 C ATOM 769 CG ASN A 51 -57.776 70.500 17.071 1.00 0.00 C ATOM 770 OD1 ASN A 51 -57.617 69.303 17.306 1.00 0.00 O ATOM 771 ND2 ASN A 51 -57.441 71.424 17.924 1.00 0.00 N ATOM 0 H ASN A 51 -60.900 71.232 16.517 1.00 0.00 H new ATOM 0 HA ASN A 51 -58.570 73.005 16.217 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -58.966 70.139 15.350 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -57.539 71.112 15.052 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -57.032 71.165 18.822 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -57.588 72.407 17.695 1.00 0.00 H new ATOM 778 N LEU A 52 -59.155 73.551 13.891 1.00 0.00 N ATOM 779 CA LEU A 52 -59.492 73.936 12.572 1.00 0.00 C ATOM 780 C LEU A 52 -58.737 73.058 11.616 1.00 0.00 C ATOM 781 O LEU A 52 -57.507 72.963 11.709 1.00 0.00 O ATOM 782 CB LEU A 52 -59.101 75.367 12.307 1.00 0.00 C ATOM 783 CG LEU A 52 -59.561 75.884 10.971 1.00 0.00 C ATOM 784 CD1 LEU A 52 -61.028 76.201 11.001 1.00 0.00 C ATOM 785 CD2 LEU A 52 -58.735 77.043 10.503 1.00 0.00 C ATOM 0 H LEU A 52 -58.449 74.139 14.334 1.00 0.00 H new ATOM 0 HA LEU A 52 -60.570 73.836 12.443 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -59.515 75.999 13.093 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -58.016 75.455 12.366 1.00 0.00 H new ATOM 0 HG LEU A 52 -59.413 75.093 10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -61.340 76.573 10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -61.590 75.299 11.242 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -61.221 76.961 11.758 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -59.102 77.384 9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -58.807 77.856 11.225 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -57.694 76.733 10.408 1.00 0.00 H new ATOM 797 N PRO A 53 -59.440 72.393 10.716 1.00 0.00 N ATOM 798 CA PRO A 53 -58.821 71.541 9.731 1.00 0.00 C ATOM 799 C PRO A 53 -57.886 72.307 8.797 1.00 0.00 C ATOM 800 O PRO A 53 -58.081 73.511 8.532 1.00 0.00 O ATOM 801 CB PRO A 53 -59.978 70.973 8.931 1.00 0.00 C ATOM 802 CG PRO A 53 -61.196 71.729 9.318 1.00 0.00 C ATOM 803 CD PRO A 53 -60.911 72.397 10.614 1.00 0.00 C ATOM 0 HA PRO A 53 -58.207 70.781 10.214 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -59.790 71.069 7.862 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -60.103 69.910 9.138 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -61.450 72.465 8.555 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -62.050 71.059 9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -61.307 73.412 10.633 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -61.368 71.861 11.446 1.00 0.00 H new ATOM 811 N ALA A 54 -56.873 71.632 8.320 1.00 0.00 N ATOM 812 CA ALA A 54 -55.940 72.207 7.393 1.00 0.00 C ATOM 813 C ALA A 54 -56.630 72.445 6.056 1.00 0.00 C ATOM 814 O ALA A 54 -57.106 71.503 5.411 1.00 0.00 O ATOM 815 CB ALA A 54 -54.745 71.291 7.226 1.00 0.00 C ATOM 0 H ALA A 54 -56.673 70.663 8.566 1.00 0.00 H new ATOM 0 HA ALA A 54 -55.586 73.163 7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -54.042 71.735 6.521 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -54.254 71.154 8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -55.077 70.325 6.847 1.00 0.00 H new ATOM 821 N GLY A 55 -56.703 73.684 5.655 1.00 0.00 N ATOM 822 CA GLY A 55 -57.355 74.029 4.417 1.00 0.00 C ATOM 823 C GLY A 55 -58.741 74.588 4.618 1.00 0.00 C ATOM 824 O GLY A 55 -59.453 74.834 3.653 1.00 0.00 O ATOM 0 H GLY A 55 -56.318 74.477 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -56.748 74.761 3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -57.414 73.143 3.785 1.00 0.00 H new ATOM 828 N ALA A 56 -59.131 74.776 5.863 1.00 0.00 N ATOM 829 CA ALA A 56 -60.458 75.278 6.191 1.00 0.00 C ATOM 830 C ALA A 56 -60.654 76.728 5.767 1.00 0.00 C ATOM 831 O ALA A 56 -59.716 77.530 5.806 1.00 0.00 O ATOM 832 CB ALA A 56 -60.710 75.138 7.660 1.00 0.00 C ATOM 0 H ALA A 56 -58.543 74.587 6.675 1.00 0.00 H new ATOM 0 HA ALA A 56 -61.176 74.678 5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -61.705 75.516 7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -60.645 74.087 7.942 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -59.964 75.709 8.213 1.00 0.00 H new ATOM 838 N THR A 57 -61.864 77.043 5.381 1.00 0.00 N ATOM 839 CA THR A 57 -62.245 78.358 4.934 1.00 0.00 C ATOM 840 C THR A 57 -62.989 79.118 6.045 1.00 0.00 C ATOM 841 O THR A 57 -64.133 78.821 6.356 1.00 0.00 O ATOM 842 CB THR A 57 -63.136 78.226 3.681 1.00 0.00 C ATOM 843 OG1 THR A 57 -64.089 77.162 3.888 1.00 0.00 O ATOM 844 CG2 THR A 57 -62.304 77.926 2.445 1.00 0.00 C ATOM 0 H THR A 57 -62.633 76.373 5.369 1.00 0.00 H new ATOM 0 HA THR A 57 -61.348 78.926 4.686 1.00 0.00 H new ATOM 0 HB THR A 57 -63.654 79.172 3.523 1.00 0.00 H new ATOM 0 HG1 THR A 57 -64.509 77.266 4.767 1.00 0.00 H new ATOM 0 HG21 THR A 57 -62.959 77.838 1.578 1.00 0.00 H new ATOM 0 HG22 THR A 57 -61.591 78.734 2.281 1.00 0.00 H new ATOM 0 HG23 THR A 57 -61.764 76.990 2.588 1.00 0.00 H new ATOM 852 N ILE A 58 -62.324 80.056 6.647 1.00 0.00 N ATOM 853 CA ILE A 58 -62.866 80.842 7.746 1.00 0.00 C ATOM 854 C ILE A 58 -63.177 82.260 7.308 1.00 0.00 C ATOM 855 O ILE A 58 -62.391 82.876 6.632 1.00 0.00 O ATOM 856 CB ILE A 58 -61.828 80.911 8.910 1.00 0.00 C ATOM 857 CG1 ILE A 58 -61.676 79.560 9.593 1.00 0.00 C ATOM 858 CG2 ILE A 58 -62.179 81.994 9.933 1.00 0.00 C ATOM 859 CD1 ILE A 58 -62.884 79.159 10.400 1.00 0.00 C ATOM 0 H ILE A 58 -61.370 80.312 6.394 1.00 0.00 H new ATOM 0 HA ILE A 58 -63.785 80.357 8.075 1.00 0.00 H new ATOM 0 HB ILE A 58 -60.872 81.181 8.462 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -61.484 78.798 8.837 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -60.804 79.587 10.247 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -61.429 82.004 10.724 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -62.201 82.966 9.441 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -63.158 81.784 10.364 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -62.708 78.186 10.860 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -63.064 79.901 11.178 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -63.755 79.099 9.747 1.00 0.00 H new ATOM 871 N VAL A 59 -64.317 82.758 7.679 1.00 0.00 N ATOM 872 CA VAL A 59 -64.601 84.159 7.490 1.00 0.00 C ATOM 873 C VAL A 59 -64.487 84.816 8.853 1.00 0.00 C ATOM 874 O VAL A 59 -65.257 84.487 9.775 1.00 0.00 O ATOM 875 CB VAL A 59 -66.026 84.401 6.928 1.00 0.00 C ATOM 876 CG1 VAL A 59 -66.275 85.888 6.698 1.00 0.00 C ATOM 877 CG2 VAL A 59 -66.238 83.618 5.649 1.00 0.00 C ATOM 0 H VAL A 59 -65.068 82.222 8.114 1.00 0.00 H new ATOM 0 HA VAL A 59 -63.899 84.574 6.766 1.00 0.00 H new ATOM 0 HB VAL A 59 -66.745 84.048 7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -67.281 86.032 6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -66.175 86.424 7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -65.547 86.273 5.984 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -67.244 83.802 5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -65.508 83.934 4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -66.115 82.554 5.849 1.00 0.00 H new ATOM 887 N TYR A 60 -63.549 85.706 9.004 1.00 0.00 N ATOM 888 CA TYR A 60 -63.360 86.355 10.274 1.00 0.00 C ATOM 889 C TYR A 60 -63.748 87.798 10.176 1.00 0.00 C ATOM 890 O TYR A 60 -63.839 88.344 9.070 1.00 0.00 O ATOM 891 CB TYR A 60 -61.927 86.186 10.833 1.00 0.00 C ATOM 892 CG TYR A 60 -60.822 86.777 9.982 1.00 0.00 C ATOM 893 CD1 TYR A 60 -60.178 86.024 9.014 1.00 0.00 C ATOM 894 CD2 TYR A 60 -60.426 88.092 10.154 1.00 0.00 C ATOM 895 CE1 TYR A 60 -59.170 86.569 8.246 1.00 0.00 C ATOM 896 CE2 TYR A 60 -59.424 88.641 9.394 1.00 0.00 C ATOM 897 CZ TYR A 60 -58.798 87.882 8.443 1.00 0.00 C ATOM 898 OH TYR A 60 -57.814 88.448 7.668 1.00 0.00 O ATOM 0 H TYR A 60 -62.905 85.999 8.269 1.00 0.00 H new ATOM 0 HA TYR A 60 -64.015 85.862 10.992 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -61.885 86.643 11.821 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -61.730 85.122 10.966 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -60.469 84.996 8.858 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -60.916 88.698 10.902 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -58.675 85.971 7.495 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -59.130 89.669 9.546 1.00 0.00 H new ATOM 0 HH TYR A 60 -57.389 89.180 8.162 1.00 0.00 H new ATOM 908 N ASP A 61 -63.972 88.410 11.310 1.00 0.00 N ATOM 909 CA ASP A 61 -64.398 89.791 11.347 1.00 0.00 C ATOM 910 C ASP A 61 -63.535 90.611 12.288 1.00 0.00 C ATOM 911 O ASP A 61 -63.766 91.808 12.474 1.00 0.00 O ATOM 912 CB ASP A 61 -65.882 89.904 11.744 1.00 0.00 C ATOM 913 CG ASP A 61 -66.213 89.374 13.137 1.00 0.00 C ATOM 914 OD1 ASP A 61 -66.631 88.189 13.265 1.00 0.00 O ATOM 915 OD2 ASP A 61 -66.109 90.125 14.130 1.00 0.00 O1- ATOM 0 H ASP A 61 -63.867 87.974 12.226 1.00 0.00 H new ATOM 0 HA ASP A 61 -64.280 90.194 10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -66.180 90.951 11.688 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -66.482 89.363 11.012 1.00 0.00 H new ATOM 920 N GLU A 62 -62.492 90.005 12.814 1.00 0.00 N ATOM 921 CA GLU A 62 -61.665 90.662 13.795 1.00 0.00 C ATOM 922 C GLU A 62 -60.308 89.993 13.829 1.00 0.00 C ATOM 923 O GLU A 62 -60.183 88.834 13.441 1.00 0.00 O ATOM 924 CB GLU A 62 -62.321 90.498 15.157 1.00 0.00 C ATOM 925 CG GLU A 62 -61.648 91.222 16.299 1.00 0.00 C ATOM 926 CD GLU A 62 -62.216 90.781 17.623 1.00 0.00 C ATOM 927 OE1 GLU A 62 -61.575 90.004 18.321 1.00 0.00 O ATOM 928 OE2 GLU A 62 -63.352 91.175 17.973 1.00 0.00 O1- ATOM 0 H GLU A 62 -62.199 89.057 12.576 1.00 0.00 H new ATOM 0 HA GLU A 62 -61.551 91.717 13.546 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -63.352 90.846 15.088 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -62.358 89.435 15.396 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -60.576 91.029 16.276 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -61.781 92.298 16.182 1.00 0.00 H new ATOM 935 N VAL A 63 -59.306 90.719 14.248 1.00 0.00 N ATOM 936 CA VAL A 63 -57.991 90.171 14.472 1.00 0.00 C ATOM 937 C VAL A 63 -57.522 90.690 15.821 1.00 0.00 C ATOM 938 O VAL A 63 -57.686 91.874 16.116 1.00 0.00 O ATOM 939 CB VAL A 63 -56.952 90.606 13.399 1.00 0.00 C ATOM 940 CG1 VAL A 63 -55.698 89.775 13.488 1.00 0.00 C ATOM 941 CG2 VAL A 63 -57.519 90.580 12.002 1.00 0.00 C ATOM 0 H VAL A 63 -59.378 91.717 14.446 1.00 0.00 H new ATOM 0 HA VAL A 63 -58.061 89.084 14.426 1.00 0.00 H new ATOM 0 HB VAL A 63 -56.693 91.642 13.616 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -54.990 90.102 12.726 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -55.251 89.896 14.475 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -55.945 88.725 13.328 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -56.753 90.892 11.292 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -57.846 89.569 11.761 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -58.368 91.260 11.941 1.00 0.00 H new ATOM 951 N CYS A 64 -56.995 89.820 16.627 1.00 0.00 N ATOM 952 CA CYS A 64 -56.478 90.156 17.930 1.00 0.00 C ATOM 953 C CYS A 64 -55.048 89.675 18.076 1.00 0.00 C ATOM 954 O CYS A 64 -54.630 88.757 17.394 1.00 0.00 O ATOM 955 CB CYS A 64 -57.337 89.544 19.038 1.00 0.00 C ATOM 956 SG CYS A 64 -58.910 90.371 19.341 1.00 0.00 S ATOM 0 H CYS A 64 -56.908 88.830 16.397 1.00 0.00 H new ATOM 0 HA CYS A 64 -56.505 91.242 18.025 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -57.536 88.502 18.787 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -56.761 89.545 19.963 1.00 0.00 H new ATOM 0 HG CYS A 64 -59.804 89.921 18.511 1.00 0.00 H new ATOM 962 N ILE A 65 -54.301 90.321 18.929 1.00 0.00 N ATOM 963 CA ILE A 65 -52.939 89.920 19.231 1.00 0.00 C ATOM 964 C ILE A 65 -52.807 89.678 20.721 1.00 0.00 C ATOM 965 O ILE A 65 -53.120 90.578 21.538 1.00 0.00 O ATOM 966 CB ILE A 65 -51.898 90.981 18.774 1.00 0.00 C ATOM 967 CG1 ILE A 65 -51.947 91.136 17.254 1.00 0.00 C ATOM 968 CG2 ILE A 65 -50.488 90.599 19.232 1.00 0.00 C ATOM 969 CD1 ILE A 65 -50.974 92.148 16.704 1.00 0.00 C ATOM 0 H ILE A 65 -54.614 91.146 19.441 1.00 0.00 H new ATOM 0 HA ILE A 65 -52.730 89.004 18.679 1.00 0.00 H new ATOM 0 HB ILE A 65 -52.150 91.936 19.235 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -51.746 90.168 16.795 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -52.957 91.424 16.962 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -49.779 91.358 18.899 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -50.464 90.532 20.320 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -50.215 89.635 18.803 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -51.073 92.196 15.620 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -51.187 93.128 17.132 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -49.957 91.853 16.962 1.00 0.00 H new ATOM 981 N GLN A 66 -52.382 88.477 21.074 1.00 0.00 N ATOM 982 CA GLN A 66 -52.206 88.088 22.449 1.00 0.00 C ATOM 983 C GLN A 66 -51.522 86.731 22.492 1.00 0.00 C ATOM 984 O GLN A 66 -51.616 85.959 21.524 1.00 0.00 O ATOM 985 CB GLN A 66 -53.562 88.009 23.153 1.00 0.00 C ATOM 986 CG GLN A 66 -53.481 87.952 24.662 1.00 0.00 C ATOM 987 CD GLN A 66 -52.823 89.184 25.287 1.00 0.00 C ATOM 988 OE1 GLN A 66 -52.224 89.099 26.344 1.00 0.00 O ATOM 989 NE2 GLN A 66 -52.898 90.319 24.628 1.00 0.00 N ATOM 0 H GLN A 66 -52.150 87.744 20.404 1.00 0.00 H new ATOM 0 HA GLN A 66 -51.592 88.829 22.962 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -54.158 88.876 22.866 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -54.092 87.126 22.796 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -54.487 87.842 25.068 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -52.921 87.064 24.954 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -53.406 90.363 23.745 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -52.448 91.155 25.000 1.00 0.00 H new ATOM 998 N ALA A 67 -50.791 86.466 23.577 1.00 0.00 N ATOM 999 CA ALA A 67 -50.101 85.185 23.804 1.00 0.00 C ATOM 1000 C ALA A 67 -49.036 84.936 22.731 1.00 0.00 C ATOM 1001 O ALA A 67 -48.699 83.783 22.410 1.00 0.00 O ATOM 1002 CB ALA A 67 -51.111 84.026 23.873 1.00 0.00 C ATOM 0 H ALA A 67 -50.657 87.138 24.333 1.00 0.00 H new ATOM 0 HA ALA A 67 -49.591 85.239 24.766 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -50.579 83.090 24.041 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -51.808 84.199 24.692 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -51.662 83.967 22.934 1.00 0.00 H new ATOM 1008 N GLY A 68 -48.526 86.027 22.164 1.00 0.00 N ATOM 1009 CA GLY A 68 -47.493 85.961 21.153 1.00 0.00 C ATOM 1010 C GLY A 68 -48.036 85.548 19.811 1.00 0.00 C ATOM 1011 O GLY A 68 -47.287 85.306 18.868 1.00 0.00 O ATOM 0 H GLY A 68 -48.821 86.975 22.397 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -47.011 86.935 21.064 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -46.725 85.253 21.466 1.00 0.00 H new ATOM 1015 N HIS A 69 -49.324 85.432 19.729 1.00 0.00 N ATOM 1016 CA HIS A 69 -49.968 84.989 18.537 1.00 0.00 C ATOM 1017 C HIS A 69 -50.928 86.023 18.017 1.00 0.00 C ATOM 1018 O HIS A 69 -51.429 86.860 18.769 1.00 0.00 O ATOM 1019 CB HIS A 69 -50.684 83.650 18.770 1.00 0.00 C ATOM 1020 CG HIS A 69 -49.764 82.476 18.979 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -49.047 82.254 20.140 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -49.445 81.458 18.155 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -48.336 81.159 20.010 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -48.560 80.655 18.818 1.00 0.00 N ATOM 0 H HIS A 69 -49.962 85.645 20.496 1.00 0.00 H new ATOM 0 HA HIS A 69 -49.198 84.840 17.780 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -51.333 83.746 19.641 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -51.327 83.443 17.915 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -49.068 82.849 20.968 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -49.820 81.305 17.154 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -47.677 80.742 20.757 1.00 0.00 H new ATOM 1033 N ILE A 70 -51.151 85.980 16.744 1.00 0.00 N ATOM 1034 CA ILE A 70 -52.152 86.783 16.122 1.00 0.00 C ATOM 1035 C ILE A 70 -53.342 85.882 15.899 1.00 0.00 C ATOM 1036 O ILE A 70 -53.188 84.758 15.390 1.00 0.00 O ATOM 1037 CB ILE A 70 -51.674 87.382 14.784 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -50.432 88.244 15.013 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -52.777 88.195 14.144 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -49.975 89.026 13.804 1.00 0.00 C ATOM 0 H ILE A 70 -50.637 85.379 16.099 1.00 0.00 H new ATOM 0 HA ILE A 70 -52.398 87.632 16.760 1.00 0.00 H new ATOM 0 HB ILE A 70 -51.415 86.569 14.106 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -50.636 88.942 15.825 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -49.616 87.601 15.343 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -52.422 88.610 13.201 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -53.639 87.555 13.957 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -53.065 89.007 14.812 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -49.089 89.607 14.060 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -49.735 88.337 12.994 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -50.771 89.699 13.484 1.00 0.00 H new ATOM 1052 N TRP A 71 -54.490 86.344 16.271 1.00 0.00 N ATOM 1053 CA TRP A 71 -55.676 85.544 16.271 1.00 0.00 C ATOM 1054 C TRP A 71 -56.715 86.201 15.440 1.00 0.00 C ATOM 1055 O TRP A 71 -56.852 87.407 15.470 1.00 0.00 O ATOM 1056 CB TRP A 71 -56.250 85.444 17.683 1.00 0.00 C ATOM 1057 CG TRP A 71 -55.340 84.890 18.724 1.00 0.00 C ATOM 1058 CD1 TRP A 71 -54.308 85.530 19.332 1.00 0.00 C ATOM 1059 CD2 TRP A 71 -55.426 83.606 19.323 1.00 0.00 C ATOM 1060 NE1 TRP A 71 -53.727 84.709 20.256 1.00 0.00 N ATOM 1061 CE2 TRP A 71 -54.399 83.521 20.277 1.00 0.00 C ATOM 1062 CE3 TRP A 71 -56.268 82.517 19.141 1.00 0.00 C ATOM 1063 CZ2 TRP A 71 -54.197 82.387 21.051 1.00 0.00 C ATOM 1064 CZ3 TRP A 71 -56.070 81.393 19.910 1.00 0.00 C ATOM 1065 CH2 TRP A 71 -55.045 81.335 20.852 1.00 0.00 C ATOM 0 H TRP A 71 -54.636 87.302 16.589 1.00 0.00 H new ATOM 0 HA TRP A 71 -55.416 84.558 15.887 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -56.564 86.440 17.997 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -57.146 84.824 17.646 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -53.993 86.540 19.116 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -52.922 84.945 20.836 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -57.063 82.551 18.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -53.402 82.338 21.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -56.721 80.541 19.781 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -54.918 80.437 21.439 1.00 0.00 H new ATOM 1076 N ILE A 72 -57.429 85.439 14.711 1.00 0.00 N ATOM 1077 CA ILE A 72 -58.552 85.955 14.010 1.00 0.00 C ATOM 1078 C ILE A 72 -59.798 85.668 14.829 1.00 0.00 C ATOM 1079 O ILE A 72 -59.950 84.567 15.379 1.00 0.00 O ATOM 1080 CB ILE A 72 -58.688 85.383 12.590 1.00 0.00 C ATOM 1081 CG1 ILE A 72 -58.738 83.852 12.630 1.00 0.00 C ATOM 1082 CG2 ILE A 72 -57.529 85.891 11.712 1.00 0.00 C ATOM 1083 CD1 ILE A 72 -59.200 83.216 11.346 1.00 0.00 C ATOM 0 H ILE A 72 -57.260 84.442 14.578 1.00 0.00 H new ATOM 0 HA ILE A 72 -58.414 87.029 13.884 1.00 0.00 H new ATOM 0 HB ILE A 72 -59.624 85.727 12.150 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -57.745 83.473 12.873 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -59.403 83.542 13.436 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -57.629 85.483 10.706 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -57.557 86.980 11.667 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -56.580 85.570 12.141 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -59.207 82.132 11.459 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -60.206 83.563 11.110 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -58.522 83.493 10.538 1.00 0.00 H new ATOM 1095 N GLY A 73 -60.632 86.649 14.959 1.00 0.00 N ATOM 1096 CA GLY A 73 -61.822 86.515 15.731 1.00 0.00 C ATOM 1097 C GLY A 73 -63.012 86.367 14.842 1.00 0.00 C ATOM 1098 O GLY A 73 -63.239 87.194 13.942 1.00 0.00 O ATOM 0 H GLY A 73 -60.506 87.567 14.532 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -61.741 85.648 16.386 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -61.946 87.388 16.372 1.00 0.00 H new ATOM 1102 N TYR A 74 -63.746 85.314 15.039 1.00 0.00 N ATOM 1103 CA TYR A 74 -64.921 85.066 14.265 1.00 0.00 C ATOM 1104 C TYR A 74 -66.010 84.483 15.126 1.00 0.00 C ATOM 1105 O TYR A 74 -65.770 84.102 16.272 1.00 0.00 O ATOM 1106 CB TYR A 74 -64.611 84.175 13.041 1.00 0.00 C ATOM 1107 CG TYR A 74 -63.932 82.856 13.331 1.00 0.00 C ATOM 1108 CD1 TYR A 74 -64.658 81.682 13.452 1.00 0.00 C ATOM 1109 CD2 TYR A 74 -62.553 82.789 13.453 1.00 0.00 C ATOM 1110 CE1 TYR A 74 -64.023 80.476 13.687 1.00 0.00 C ATOM 1111 CE2 TYR A 74 -61.914 81.599 13.690 1.00 0.00 C ATOM 1112 CZ TYR A 74 -62.647 80.442 13.806 1.00 0.00 C ATOM 1113 OH TYR A 74 -62.006 79.244 14.030 1.00 0.00 O ATOM 0 H TYR A 74 -63.546 84.603 15.742 1.00 0.00 H new ATOM 0 HA TYR A 74 -65.282 86.019 13.877 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -65.546 83.972 12.520 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -63.981 84.742 12.356 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -65.734 81.709 13.362 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -61.969 83.693 13.359 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -64.599 79.567 13.777 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -60.839 81.571 13.785 1.00 0.00 H new ATOM 0 HH TYR A 74 -61.273 79.140 13.388 1.00 0.00 H new ATOM 1203 N ARG A 81 -67.476 83.083 20.159 1.00 0.00 N ATOM 1204 CA ARG A 81 -66.373 83.840 19.619 1.00 0.00 C ATOM 1205 C ARG A 81 -65.205 82.920 19.502 1.00 0.00 C ATOM 1206 O ARG A 81 -64.648 82.529 20.493 1.00 0.00 O ATOM 1207 CB ARG A 81 -65.992 85.003 20.552 1.00 0.00 C ATOM 1208 CG ARG A 81 -65.188 86.115 19.873 1.00 0.00 C ATOM 1209 CD ARG A 81 -65.897 86.625 18.617 1.00 0.00 C ATOM 1210 NE ARG A 81 -65.339 87.890 18.115 1.00 0.00 N ATOM 1211 CZ ARG A 81 -65.548 88.390 16.886 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -66.227 87.695 15.991 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 81 -65.081 89.576 16.559 1.00 0.00 N ATOM 0 HA ARG A 81 -66.658 84.254 18.652 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -66.903 85.432 20.970 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -65.413 84.609 21.387 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -65.042 86.939 20.571 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -64.198 85.742 19.609 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -65.828 85.868 17.835 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -66.956 86.763 18.835 1.00 0.00 H new ATOM 0 HE ARG A 81 -64.748 88.429 18.749 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -66.595 86.775 16.232 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -66.383 88.079 15.059 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -64.556 90.123 17.241 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -65.244 89.948 15.623 1.00 0.00 H new ATOM 1227 N VAL A 82 -64.858 82.549 18.340 1.00 0.00 N ATOM 1228 CA VAL A 82 -63.760 81.662 18.197 1.00 0.00 C ATOM 1229 C VAL A 82 -62.575 82.428 17.700 1.00 0.00 C ATOM 1230 O VAL A 82 -62.689 83.273 16.800 1.00 0.00 O ATOM 1231 CB VAL A 82 -64.060 80.448 17.280 1.00 0.00 C ATOM 1232 CG1 VAL A 82 -62.909 79.459 17.293 1.00 0.00 C ATOM 1233 CG2 VAL A 82 -65.343 79.761 17.696 1.00 0.00 C ATOM 0 H VAL A 82 -65.308 82.837 17.471 1.00 0.00 H new ATOM 0 HA VAL A 82 -63.551 81.239 19.179 1.00 0.00 H new ATOM 0 HB VAL A 82 -64.181 80.823 16.264 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -63.145 78.617 16.642 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -62.003 79.950 16.937 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -62.751 79.098 18.309 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -65.532 78.913 17.038 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -65.251 79.409 18.724 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -66.172 80.465 17.627 1.00 0.00 H new ATOM 1243 N TYR A 83 -61.487 82.195 18.335 1.00 0.00 N ATOM 1244 CA TYR A 83 -60.244 82.780 17.992 1.00 0.00 C ATOM 1245 C TYR A 83 -59.331 81.718 17.448 1.00 0.00 C ATOM 1246 O TYR A 83 -59.131 80.670 18.073 1.00 0.00 O ATOM 1247 CB TYR A 83 -59.611 83.486 19.190 1.00 0.00 C ATOM 1248 CG TYR A 83 -60.228 84.813 19.525 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -61.295 84.924 20.405 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -59.716 85.969 18.968 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -61.830 86.160 20.709 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -60.243 87.195 19.264 1.00 0.00 C ATOM 1253 CZ TYR A 83 -61.295 87.291 20.133 1.00 0.00 C ATOM 1254 OH TYR A 83 -61.811 88.530 20.433 1.00 0.00 O ATOM 0 H TYR A 83 -61.435 81.568 19.138 1.00 0.00 H new ATOM 0 HA TYR A 83 -60.410 83.538 17.227 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -59.685 82.835 20.061 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -58.549 83.633 18.991 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -61.711 84.035 20.856 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -58.882 85.903 18.285 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -62.662 86.239 21.393 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -59.830 88.085 18.813 1.00 0.00 H new ATOM 0 HH TYR A 83 -62.106 88.970 19.608 1.00 0.00 H new ATOM 1264 N CYS A 84 -58.826 81.965 16.291 1.00 0.00 N ATOM 1265 CA CYS A 84 -57.927 81.065 15.636 1.00 0.00 C ATOM 1266 C CYS A 84 -56.579 81.747 15.475 1.00 0.00 C ATOM 1267 O CYS A 84 -56.502 82.826 14.877 1.00 0.00 O ATOM 1268 CB CYS A 84 -58.508 80.672 14.268 1.00 0.00 C ATOM 1269 SG CYS A 84 -57.477 79.593 13.253 1.00 0.00 S ATOM 0 H CYS A 84 -59.026 82.812 15.759 1.00 0.00 H new ATOM 0 HA CYS A 84 -57.796 80.160 16.228 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -59.466 80.179 14.430 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -58.710 81.584 13.705 1.00 0.00 H new ATOM 0 HG CYS A 84 -57.854 79.675 12.011 1.00 0.00 H new ATOM 1275 N PRO A 85 -55.507 81.178 16.043 1.00 0.00 N ATOM 1276 CA PRO A 85 -54.180 81.732 15.887 1.00 0.00 C ATOM 1277 C PRO A 85 -53.699 81.480 14.469 1.00 0.00 C ATOM 1278 O PRO A 85 -53.614 80.346 14.022 1.00 0.00 O ATOM 1279 CB PRO A 85 -53.329 80.975 16.913 1.00 0.00 C ATOM 1280 CG PRO A 85 -54.055 79.697 17.159 1.00 0.00 C ATOM 1281 CD PRO A 85 -55.513 79.951 16.858 1.00 0.00 C ATOM 0 HA PRO A 85 -54.133 82.809 16.049 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -52.325 80.790 16.531 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -53.219 81.549 17.833 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -53.663 78.903 16.524 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -53.925 79.373 18.192 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -55.959 79.116 16.317 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -56.091 80.084 17.773 1.00 0.00 H new ATOM 1289 N VAL A 86 -53.432 82.529 13.761 1.00 0.00 N ATOM 1290 CA VAL A 86 -53.082 82.410 12.363 1.00 0.00 C ATOM 1291 C VAL A 86 -51.617 82.634 12.107 1.00 0.00 C ATOM 1292 O VAL A 86 -51.127 82.327 11.017 1.00 0.00 O ATOM 1293 CB VAL A 86 -53.930 83.349 11.485 1.00 0.00 C ATOM 1294 CG1 VAL A 86 -55.374 82.910 11.530 1.00 0.00 C ATOM 1295 CG2 VAL A 86 -53.806 84.800 11.950 1.00 0.00 C ATOM 0 H VAL A 86 -53.447 83.484 14.119 1.00 0.00 H new ATOM 0 HA VAL A 86 -53.304 81.380 12.086 1.00 0.00 H new ATOM 0 HB VAL A 86 -53.562 83.294 10.460 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -55.976 83.574 10.909 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -55.456 81.890 11.156 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -55.734 82.949 12.558 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -54.415 85.440 11.312 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -54.150 84.882 12.981 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -52.764 85.114 11.889 1.00 0.00 H new ATOM 1305 N ARG A 87 -50.925 83.181 13.098 1.00 0.00 N ATOM 1306 CA ARG A 87 -49.500 83.451 13.010 1.00 0.00 C ATOM 1307 C ARG A 87 -49.006 83.984 14.326 1.00 0.00 C ATOM 1308 O ARG A 87 -49.798 84.157 15.260 1.00 0.00 O ATOM 1309 CB ARG A 87 -49.181 84.404 11.841 1.00 0.00 C ATOM 1310 CG ARG A 87 -49.853 85.767 11.868 1.00 0.00 C ATOM 1311 CD ARG A 87 -49.898 86.334 10.459 1.00 0.00 C ATOM 1312 NE ARG A 87 -50.315 87.740 10.394 1.00 0.00 N ATOM 1313 CZ ARG A 87 -49.749 88.662 9.590 1.00 0.00 C ATOM 1314 NH1 ARG A 87 -48.680 88.356 8.845 1.00 0.00 N1+ ATOM 1315 NH2 ARG A 87 -50.247 89.885 9.541 1.00 0.00 N ATOM 0 H ARG A 87 -51.341 83.451 13.989 1.00 0.00 H new ATOM 0 HA ARG A 87 -48.973 82.520 12.800 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -48.102 84.557 11.812 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -49.458 83.907 10.911 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -50.863 85.679 12.269 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -49.306 86.442 12.526 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -48.910 86.237 10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -50.583 85.735 9.859 1.00 0.00 H new ATOM 0 HE ARG A 87 -51.082 88.038 10.996 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -48.285 87.416 8.882 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -48.261 89.062 8.240 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -51.057 90.129 10.111 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -49.821 90.585 8.934 1.00 0.00 H new ATOM 1329 N THR A 88 -47.734 84.202 14.422 1.00 0.00 N ATOM 1330 CA THR A 88 -47.125 84.697 15.618 1.00 0.00 C ATOM 1331 C THR A 88 -46.963 86.216 15.558 1.00 0.00 C ATOM 1332 O THR A 88 -47.152 86.832 14.498 1.00 0.00 O ATOM 1333 CB THR A 88 -45.750 84.039 15.775 1.00 0.00 C ATOM 1334 OG1 THR A 88 -45.070 84.099 14.505 1.00 0.00 O ATOM 1335 CG2 THR A 88 -45.886 82.586 16.216 1.00 0.00 C ATOM 0 H THR A 88 -47.076 84.039 13.659 1.00 0.00 H new ATOM 0 HA THR A 88 -47.761 84.457 16.470 1.00 0.00 H new ATOM 0 HB THR A 88 -45.183 84.570 16.539 1.00 0.00 H new ATOM 0 HG1 THR A 88 -44.186 83.683 14.587 1.00 0.00 H new ATOM 0 HG21 THR A 88 -44.895 82.143 16.320 1.00 0.00 H new ATOM 0 HG22 THR A 88 -46.405 82.543 17.174 1.00 0.00 H new ATOM 0 HG23 THR A 88 -46.455 82.031 15.470 1.00 0.00 H new ATOM 1343 N CYS A 89 -46.665 86.800 16.678 1.00 0.00 N ATOM 1344 CA CYS A 89 -46.371 88.193 16.789 1.00 0.00 C ATOM 1345 C CYS A 89 -45.424 88.389 17.941 1.00 0.00 C ATOM 1346 O CYS A 89 -45.665 87.872 19.038 1.00 0.00 O ATOM 1347 CB CYS A 89 -47.647 89.013 17.013 1.00 0.00 C ATOM 1348 SG CYS A 89 -47.370 90.782 17.283 1.00 0.00 S ATOM 0 H CYS A 89 -46.619 86.303 17.567 1.00 0.00 H new ATOM 0 HA CYS A 89 -45.916 88.538 15.861 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -48.299 88.889 16.149 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -48.178 88.606 17.874 1.00 0.00 H new ATOM 0 HG CYS A 89 -47.230 91.010 18.555 1.00 0.00 H new ATOM 1354 N GLN A 90 -44.330 89.065 17.708 1.00 0.00 N ATOM 1355 CA GLN A 90 -43.436 89.350 18.790 1.00 0.00 C ATOM 1356 C GLN A 90 -43.900 90.633 19.432 1.00 0.00 C ATOM 1357 O GLN A 90 -43.864 91.698 18.804 1.00 0.00 O ATOM 1358 CB GLN A 90 -41.982 89.495 18.343 1.00 0.00 C ATOM 1359 CG GLN A 90 -41.003 89.339 19.512 1.00 0.00 C ATOM 1360 CD GLN A 90 -39.551 89.619 19.160 1.00 0.00 C ATOM 1361 OE1 GLN A 90 -38.639 89.009 19.717 1.00 0.00 O ATOM 1362 NE2 GLN A 90 -39.317 90.573 18.316 1.00 0.00 N ATOM 0 H GLN A 90 -44.043 89.421 16.796 1.00 0.00 H new ATOM 0 HA GLN A 90 -43.458 88.513 19.488 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -41.760 88.746 17.582 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -41.841 90.472 17.880 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -41.305 90.012 20.315 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -41.080 88.324 19.901 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -40.094 91.061 17.870 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -38.356 90.836 18.098 1.00 0.00 H new ATOM 1371 N GLY A 91 -44.405 90.513 20.620 1.00 0.00 N ATOM 1372 CA GLY A 91 -44.864 91.651 21.340 1.00 0.00 C ATOM 1373 C GLY A 91 -46.258 92.028 20.950 1.00 0.00 C ATOM 1374 O GLY A 91 -47.038 91.187 20.460 1.00 0.00 O ATOM 0 H GLY A 91 -44.509 89.626 21.113 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -44.829 91.443 22.409 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -44.195 92.492 21.157 1.00 0.00 H new ATOM 1378 N VAL A 92 -46.577 93.268 21.147 1.00 0.00 N ATOM 1379 CA VAL A 92 -47.873 93.797 20.844 1.00 0.00 C ATOM 1380 C VAL A 92 -47.715 95.110 20.115 1.00 0.00 C ATOM 1381 O VAL A 92 -46.671 95.765 20.244 1.00 0.00 O ATOM 1382 CB VAL A 92 -48.738 94.001 22.125 1.00 0.00 C ATOM 1383 CG1 VAL A 92 -49.217 92.673 22.679 1.00 0.00 C ATOM 1384 CG2 VAL A 92 -47.968 94.769 23.190 1.00 0.00 C ATOM 0 H VAL A 92 -45.931 93.958 21.531 1.00 0.00 H new ATOM 0 HA VAL A 92 -48.393 93.075 20.214 1.00 0.00 H new ATOM 0 HB VAL A 92 -49.610 94.589 21.840 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -49.818 92.847 23.572 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -49.821 92.162 21.929 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -48.357 92.054 22.935 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -48.596 94.897 24.072 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -47.070 94.214 23.461 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -47.686 95.747 22.801 1.00 0.00 H new ATOM 1394 N PRO A 93 -48.719 95.515 19.321 1.00 0.00 N ATOM 1395 CA PRO A 93 -48.672 96.771 18.594 1.00 0.00 C ATOM 1396 C PRO A 93 -48.614 97.983 19.557 1.00 0.00 C ATOM 1397 O PRO A 93 -48.846 97.833 20.759 1.00 0.00 O ATOM 1398 CB PRO A 93 -49.945 96.768 17.739 1.00 0.00 C ATOM 1399 CG PRO A 93 -50.839 95.772 18.366 1.00 0.00 C ATOM 1400 CD PRO A 93 -49.971 94.782 19.084 1.00 0.00 C ATOM 0 HA PRO A 93 -47.776 96.863 17.980 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -50.408 97.755 17.721 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -49.723 96.501 16.706 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -51.526 96.256 19.061 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -51.448 95.273 17.612 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -50.426 94.456 20.019 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -49.803 93.888 18.483 1.00 0.00 H new ATOM 1408 N PRO A 94 -48.315 99.207 19.066 1.00 0.00 N ATOM 1409 CA PRO A 94 -48.125 99.524 17.633 1.00 0.00 C ATOM 1410 C PRO A 94 -46.884 98.904 16.978 1.00 0.00 C ATOM 1411 O PRO A 94 -46.687 99.049 15.776 1.00 0.00 O ATOM 1412 CB PRO A 94 -48.031 101.041 17.616 1.00 0.00 C ATOM 1413 CG PRO A 94 -47.544 101.405 18.969 1.00 0.00 C ATOM 1414 CD PRO A 94 -48.149 100.408 19.905 1.00 0.00 C ATOM 0 HA PRO A 94 -48.944 99.105 17.048 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -47.345 101.386 16.842 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -49.000 101.495 17.409 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -46.455 101.372 19.014 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -47.844 102.419 19.232 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -47.501 100.214 20.760 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -49.103 100.756 20.301 1.00 0.00 H new ATOM 1422 N ASN A 95 -46.054 98.238 17.736 1.00 0.00 N ATOM 1423 CA ASN A 95 -44.929 97.536 17.153 1.00 0.00 C ATOM 1424 C ASN A 95 -45.175 96.063 17.233 1.00 0.00 C ATOM 1425 O ASN A 95 -44.724 95.393 18.153 1.00 0.00 O ATOM 1426 CB ASN A 95 -43.600 97.876 17.831 1.00 0.00 C ATOM 1427 CG ASN A 95 -43.263 99.340 17.778 1.00 0.00 C ATOM 1428 OD1 ASN A 95 -42.654 99.814 16.815 1.00 0.00 O ATOM 1429 ND2 ASN A 95 -43.617 100.060 18.811 1.00 0.00 N ATOM 0 H ASN A 95 -46.129 98.163 18.750 1.00 0.00 H new ATOM 0 HA ASN A 95 -44.845 97.857 16.115 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -43.639 97.557 18.872 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -42.801 97.309 17.354 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -43.390 101.054 18.842 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -44.120 99.627 19.586 1.00 0.00 H new ATOM 1436 N GLN A 96 -45.952 95.570 16.321 1.00 0.00 N ATOM 1437 CA GLN A 96 -46.225 94.171 16.277 1.00 0.00 C ATOM 1438 C GLN A 96 -45.278 93.571 15.276 1.00 0.00 C ATOM 1439 O GLN A 96 -44.898 94.224 14.296 1.00 0.00 O ATOM 1440 CB GLN A 96 -47.688 93.915 15.864 1.00 0.00 C ATOM 1441 CG GLN A 96 -47.975 94.219 14.415 1.00 0.00 C ATOM 1442 CD GLN A 96 -49.416 94.537 14.153 1.00 0.00 C ATOM 1443 OE1 GLN A 96 -49.833 95.680 14.253 1.00 0.00 O ATOM 1444 NE2 GLN A 96 -50.171 93.550 13.770 1.00 0.00 N ATOM 0 H GLN A 96 -46.410 96.120 15.594 1.00 0.00 H new ATOM 0 HA GLN A 96 -46.086 93.719 17.259 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -47.934 92.872 16.062 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -48.343 94.521 16.489 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -47.360 95.062 14.099 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -47.682 93.364 13.806 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -49.784 92.609 13.699 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -51.151 93.717 13.540 1.00 0.00 H new ATOM 1453 N ILE A 97 -44.863 92.392 15.518 1.00 0.00 N ATOM 1454 CA ILE A 97 -43.998 91.715 14.589 1.00 0.00 C ATOM 1455 C ILE A 97 -44.655 90.422 14.161 1.00 0.00 C ATOM 1456 O ILE A 97 -44.483 89.376 14.800 1.00 0.00 O ATOM 1457 CB ILE A 97 -42.571 91.492 15.160 1.00 0.00 C ATOM 1458 CG1 ILE A 97 -41.949 92.859 15.475 1.00 0.00 C ATOM 1459 CG2 ILE A 97 -41.695 90.728 14.156 1.00 0.00 C ATOM 1460 CD1 ILE A 97 -40.615 92.809 16.154 1.00 0.00 C ATOM 0 H ILE A 97 -45.100 91.856 16.353 1.00 0.00 H new ATOM 0 HA ILE A 97 -43.858 92.348 13.713 1.00 0.00 H new ATOM 0 HB ILE A 97 -42.634 90.894 16.069 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -41.845 93.417 14.544 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -42.640 93.418 16.106 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -40.700 90.583 14.577 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -42.145 89.758 13.946 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -41.618 91.300 13.231 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -40.260 93.824 16.334 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -40.710 92.284 17.105 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -39.903 92.282 15.519 1.00 0.00 H new ATOM 1472 N PRO A 98 -45.479 90.500 13.110 1.00 0.00 N ATOM 1473 CA PRO A 98 -46.260 89.379 12.649 1.00 0.00 C ATOM 1474 C PRO A 98 -45.434 88.352 11.888 1.00 0.00 C ATOM 1475 O PRO A 98 -44.684 88.692 10.952 1.00 0.00 O ATOM 1476 CB PRO A 98 -47.312 90.021 11.744 1.00 0.00 C ATOM 1477 CG PRO A 98 -46.690 91.276 11.237 1.00 0.00 C ATOM 1478 CD PRO A 98 -45.688 91.708 12.269 1.00 0.00 C ATOM 0 HA PRO A 98 -46.686 88.817 13.480 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -47.581 89.357 10.923 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -48.228 90.232 12.296 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -46.206 91.107 10.275 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -47.445 92.047 11.083 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -44.757 92.036 11.806 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -46.062 92.544 12.860 1.00 0.00 H new ATOM 1486 N GLY A 99 -45.563 87.119 12.304 1.00 0.00 N ATOM 1487 CA GLY A 99 -44.870 86.032 11.679 1.00 0.00 C ATOM 1488 C GLY A 99 -45.565 85.574 10.422 1.00 0.00 C ATOM 1489 O GLY A 99 -46.574 86.177 9.997 1.00 0.00 O ATOM 0 H GLY A 99 -46.154 86.844 13.088 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -43.852 86.339 11.440 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -44.796 85.199 12.378 1.00 0.00 H new ATOM 1493 N VAL A 100 -45.044 84.525 9.832 1.00 0.00 N ATOM 1494 CA VAL A 100 -45.594 83.977 8.619 1.00 0.00 C ATOM 1495 C VAL A 100 -46.976 83.375 8.895 1.00 0.00 C ATOM 1496 O VAL A 100 -47.185 82.704 9.910 1.00 0.00 O ATOM 1497 CB VAL A 100 -44.632 82.923 7.968 1.00 0.00 C ATOM 1498 CG1 VAL A 100 -44.408 81.704 8.864 1.00 0.00 C ATOM 1499 CG2 VAL A 100 -45.119 82.507 6.591 1.00 0.00 C ATOM 0 H VAL A 100 -44.225 84.028 10.182 1.00 0.00 H new ATOM 0 HA VAL A 100 -45.705 84.788 7.899 1.00 0.00 H new ATOM 0 HB VAL A 100 -43.665 83.413 7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -43.735 81.006 8.367 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -43.967 82.023 9.808 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -45.362 81.214 9.056 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -44.430 81.776 6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -46.112 82.065 6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -45.165 83.381 5.942 1.00 0.00 H new ATOM 1509 N ALA A 101 -47.915 83.685 8.035 1.00 0.00 N ATOM 1510 CA ALA A 101 -49.260 83.203 8.161 1.00 0.00 C ATOM 1511 C ALA A 101 -49.341 81.713 7.957 1.00 0.00 C ATOM 1512 O ALA A 101 -48.626 81.141 7.127 1.00 0.00 O ATOM 1513 CB ALA A 101 -50.161 83.903 7.180 1.00 0.00 C ATOM 0 H ALA A 101 -47.762 84.284 7.223 1.00 0.00 H new ATOM 0 HA ALA A 101 -49.591 83.421 9.176 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -51.178 83.527 7.288 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -50.148 84.975 7.375 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -49.810 83.715 6.165 1.00 0.00 H new ATOM 1519 N TRP A 102 -50.198 81.093 8.709 1.00 0.00 N ATOM 1520 CA TRP A 102 -50.452 79.677 8.597 1.00 0.00 C ATOM 1521 C TRP A 102 -51.612 79.433 7.646 1.00 0.00 C ATOM 1522 O TRP A 102 -52.181 78.356 7.611 1.00 0.00 O ATOM 1523 CB TRP A 102 -50.727 79.089 9.984 1.00 0.00 C ATOM 1524 CG TRP A 102 -49.564 79.239 10.923 1.00 0.00 C ATOM 1525 CD1 TRP A 102 -48.238 79.311 10.592 1.00 0.00 C ATOM 1526 CD2 TRP A 102 -49.621 79.310 12.342 1.00 0.00 C ATOM 1527 NE1 TRP A 102 -47.479 79.442 11.721 1.00 0.00 N ATOM 1528 CE2 TRP A 102 -48.302 79.442 12.812 1.00 0.00 C ATOM 1529 CE3 TRP A 102 -50.659 79.282 13.261 1.00 0.00 C ATOM 1530 CZ2 TRP A 102 -48.001 79.544 14.165 1.00 0.00 C ATOM 1531 CZ3 TRP A 102 -50.366 79.379 14.596 1.00 0.00 C ATOM 1532 CH2 TRP A 102 -49.047 79.512 15.042 1.00 0.00 C ATOM 0 H TRP A 102 -50.752 81.557 9.430 1.00 0.00 H new ATOM 0 HA TRP A 102 -49.574 79.177 8.188 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -51.600 79.579 10.414 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -50.972 78.032 9.883 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -47.848 79.270 9.586 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -46.463 79.526 11.745 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -51.682 79.185 12.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -46.982 79.644 14.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -51.169 79.352 15.318 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -48.852 79.591 16.101 1.00 0.00 H new ATOM 1543 N GLY A 103 -51.921 80.446 6.850 1.00 0.00 N ATOM 1544 CA GLY A 103 -52.976 80.355 5.894 1.00 0.00 C ATOM 1545 C GLY A 103 -53.084 81.609 5.056 1.00 0.00 C ATOM 1546 O GLY A 103 -52.247 82.521 5.168 1.00 0.00 O ATOM 0 H GLY A 103 -51.439 81.345 6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -52.804 79.497 5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -53.920 80.180 6.410 1.00 0.00 H new ATOM 1550 N VAL A 104 -54.105 81.667 4.248 1.00 0.00 N ATOM 1551 CA VAL A 104 -54.330 82.773 3.340 1.00 0.00 C ATOM 1552 C VAL A 104 -55.302 83.754 3.975 1.00 0.00 C ATOM 1553 O VAL A 104 -56.082 83.378 4.850 1.00 0.00 O ATOM 1554 CB VAL A 104 -54.914 82.280 1.962 1.00 0.00 C ATOM 1555 CG1 VAL A 104 -54.478 80.884 1.595 1.00 0.00 C ATOM 1556 CG2 VAL A 104 -56.404 82.476 1.842 1.00 0.00 C ATOM 0 H VAL A 104 -54.819 80.940 4.195 1.00 0.00 H new ATOM 0 HA VAL A 104 -53.372 83.256 3.149 1.00 0.00 H new ATOM 0 HB VAL A 104 -54.468 82.935 1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -54.915 80.607 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -53.391 80.850 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -54.812 80.185 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -56.741 82.116 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -56.909 81.918 2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -56.641 83.536 1.938 1.00 0.00 H new ATOM 1566 N PHE A 105 -55.250 84.979 3.540 1.00 0.00 N ATOM 1567 CA PHE A 105 -56.170 85.985 3.972 1.00 0.00 C ATOM 1568 C PHE A 105 -56.746 86.651 2.741 1.00 0.00 C ATOM 1569 O PHE A 105 -56.060 87.427 2.076 1.00 0.00 O ATOM 1570 CB PHE A 105 -55.469 87.035 4.837 1.00 0.00 C ATOM 1571 CG PHE A 105 -54.874 86.520 6.114 1.00 0.00 C ATOM 1572 CD1 PHE A 105 -53.507 86.446 6.267 1.00 0.00 C ATOM 1573 CD2 PHE A 105 -55.680 86.121 7.158 1.00 0.00 C ATOM 1574 CE1 PHE A 105 -52.954 85.987 7.438 1.00 0.00 C ATOM 1575 CE2 PHE A 105 -55.134 85.657 8.333 1.00 0.00 C ATOM 1576 CZ PHE A 105 -53.766 85.591 8.472 1.00 0.00 C ATOM 0 H PHE A 105 -54.558 85.310 2.867 1.00 0.00 H new ATOM 0 HA PHE A 105 -56.955 85.525 4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -54.678 87.498 4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -56.186 87.819 5.080 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -52.862 86.752 5.457 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -56.754 86.173 7.053 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -51.880 85.938 7.545 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -55.777 85.346 9.143 1.00 0.00 H new ATOM 0 HZ PHE A 105 -53.332 85.229 9.392 1.00 0.00 H new ATOM 1586 N LYS A 106 -57.952 86.308 2.394 1.00 0.00 N ATOM 1587 CA LYS A 106 -58.606 86.906 1.251 1.00 0.00 C ATOM 1588 C LYS A 106 -59.322 88.175 1.686 1.00 0.00 C ATOM 1589 O LYS A 106 -60.461 88.078 2.205 1.00 0.00 O ATOM 1590 CB LYS A 106 -59.603 85.943 0.599 1.00 0.00 C ATOM 1591 CG LYS A 106 -59.018 84.595 0.206 1.00 0.00 C ATOM 1592 CD LYS A 106 -60.052 83.738 -0.504 1.00 0.00 C ATOM 1593 CE LYS A 106 -59.492 82.376 -0.899 1.00 0.00 C ATOM 1594 NZ LYS A 106 -58.368 82.471 -1.855 1.00 0.00 N1+ ATOM 1595 OXT LYS A 106 -58.746 89.275 1.543 1.00 0.00 O ATOM 0 H LYS A 106 -58.512 85.612 2.886 1.00 0.00 H new ATOM 0 HA LYS A 106 -57.843 87.143 0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -60.432 85.778 1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -60.018 86.417 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -58.156 84.744 -0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -58.660 84.077 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -60.916 83.600 0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -60.403 84.258 -1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -59.157 81.853 -0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -60.288 81.776 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -58.117 81.519 -2.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -58.649 83.061 -2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -57.546 82.899 -1.383 1.00 0.00 H new