USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 279 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 Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -179:sc= -1.19 USER MOD Single : A 35 THR OG1 : rot 92:sc= 1.06 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 147:sc= -1.22 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= -0.0816 (180deg=-0.716) USER MOD Single : A 61 THR OG1 : rot 81:sc= 0.189 USER MOD ----------------------------------------------------------------- ATOM 355 N ILE A 28 1.025 -7.461 -0.277 1.00 0.00 N ATOM 356 CA ILE A 28 0.450 -6.195 -0.696 1.00 0.00 C ATOM 357 C ILE A 28 1.259 -5.046 -0.090 1.00 0.00 C ATOM 358 O ILE A 28 1.120 -4.741 1.094 1.00 0.00 O ATOM 359 CB ILE A 28 -1.041 -6.144 -0.354 1.00 0.00 C ATOM 360 CG1 ILE A 28 -1.822 -7.190 -1.153 1.00 0.00 C ATOM 361 CG2 ILE A 28 -1.601 -4.735 -0.553 1.00 0.00 C ATOM 362 CD1 ILE A 28 -2.853 -7.896 -0.270 1.00 0.00 C ATOM 0 HA ILE A 28 0.509 -6.090 -1.779 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.159 -6.391 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.325 -6.711 -1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.132 -7.923 -1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.662 -4.726 -0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.070 -4.038 0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.471 -4.435 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.394 -8.634 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.345 -8.395 0.555 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.556 -7.163 0.126 1.00 0.00 H new ATOM 374 N ASP A 29 2.086 -4.441 -0.928 1.00 0.00 N ATOM 375 CA ASP A 29 2.918 -3.332 -0.490 1.00 0.00 C ATOM 376 C ASP A 29 2.065 -2.347 0.312 1.00 0.00 C ATOM 377 O ASP A 29 0.949 -2.018 -0.087 1.00 0.00 O ATOM 378 CB ASP A 29 3.510 -2.582 -1.684 1.00 0.00 C ATOM 379 CG ASP A 29 3.952 -3.468 -2.851 1.00 0.00 C ATOM 380 OD1 ASP A 29 4.425 -4.589 -2.564 1.00 0.00 O ATOM 381 OD2 ASP A 29 3.806 -3.005 -4.002 1.00 0.00 O ATOM 0 H ASP A 29 2.199 -4.697 -1.909 1.00 0.00 H new ATOM 0 HA ASP A 29 3.727 -3.737 0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.771 -1.869 -2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.368 -2.004 -1.341 1.00 0.00 H new ATOM 386 N GLN A 30 2.624 -1.904 1.429 1.00 0.00 N ATOM 387 CA GLN A 30 1.929 -0.963 2.291 1.00 0.00 C ATOM 388 C GLN A 30 1.899 0.425 1.646 1.00 0.00 C ATOM 389 O GLN A 30 0.911 1.147 1.766 1.00 0.00 O ATOM 390 CB GLN A 30 2.574 -0.910 3.677 1.00 0.00 C ATOM 391 CG GLN A 30 1.774 -0.007 4.619 1.00 0.00 C ATOM 392 CD GLN A 30 0.686 -0.799 5.346 1.00 0.00 C ATOM 393 OE1 GLN A 30 0.907 -1.395 6.388 1.00 0.00 O ATOM 394 NE2 GLN A 30 -0.498 -0.773 4.741 1.00 0.00 N ATOM 0 H GLN A 30 3.550 -2.179 1.757 1.00 0.00 H new ATOM 0 HA GLN A 30 0.902 -1.306 2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.633 -1.916 4.094 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.596 -0.540 3.593 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.444 0.449 5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.320 0.805 4.051 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.615 -0.254 3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.290 -1.272 5.148 1.00 0.00 H new ATOM 403 N SER A 31 2.993 0.755 0.977 1.00 0.00 N ATOM 404 CA SER A 31 3.105 2.043 0.314 1.00 0.00 C ATOM 405 C SER A 31 2.022 2.174 -0.759 1.00 0.00 C ATOM 406 O SER A 31 1.497 3.263 -0.986 1.00 0.00 O ATOM 407 CB SER A 31 4.491 2.225 -0.307 1.00 0.00 C ATOM 408 OG SER A 31 5.117 3.429 0.128 1.00 0.00 O ATOM 0 H SER A 31 3.810 0.153 0.880 1.00 0.00 H new ATOM 0 HA SER A 31 2.966 2.825 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.120 1.374 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.403 2.234 -1.393 1.00 0.00 H new ATOM 0 HG SER A 31 6.000 3.508 -0.289 1.00 0.00 H new ATOM 414 N SER A 32 1.720 1.050 -1.391 1.00 0.00 N ATOM 415 CA SER A 32 0.709 1.025 -2.435 1.00 0.00 C ATOM 416 C SER A 32 -0.674 1.271 -1.829 1.00 0.00 C ATOM 417 O SER A 32 -1.432 2.105 -2.322 1.00 0.00 O ATOM 418 CB SER A 32 0.729 -0.305 -3.190 1.00 0.00 C ATOM 419 OG SER A 32 2.026 -0.613 -3.695 1.00 0.00 O ATOM 0 H SER A 32 2.158 0.149 -1.200 1.00 0.00 H new ATOM 0 HA SER A 32 0.933 1.819 -3.148 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.399 -1.104 -2.526 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.019 -0.264 -4.016 1.00 0.00 H new ATOM 0 HG SER A 32 1.994 -1.462 -4.183 1.00 0.00 H new ATOM 425 N VAL A 33 -0.961 0.530 -0.769 1.00 0.00 N ATOM 426 CA VAL A 33 -2.240 0.657 -0.091 1.00 0.00 C ATOM 427 C VAL A 33 -2.493 2.130 0.239 1.00 0.00 C ATOM 428 O VAL A 33 -3.624 2.605 0.146 1.00 0.00 O ATOM 429 CB VAL A 33 -2.270 -0.246 1.143 1.00 0.00 C ATOM 430 CG1 VAL A 33 -3.670 -0.284 1.761 1.00 0.00 C ATOM 431 CG2 VAL A 33 -1.781 -1.655 0.804 1.00 0.00 C ATOM 0 H VAL A 33 -0.330 -0.161 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.051 0.325 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.589 0.175 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.664 -0.933 2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.964 0.723 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.380 -0.669 1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.813 -2.276 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.424 -2.089 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.757 -1.605 0.433 1.00 0.00 H new ATOM 441 N ASP A 34 -1.422 2.811 0.617 1.00 0.00 N ATOM 442 CA ASP A 34 -1.514 4.220 0.961 1.00 0.00 C ATOM 443 C ASP A 34 -1.673 5.043 -0.318 1.00 0.00 C ATOM 444 O ASP A 34 -2.367 6.059 -0.325 1.00 0.00 O ATOM 445 CB ASP A 34 -0.248 4.696 1.676 1.00 0.00 C ATOM 446 CG ASP A 34 -0.363 6.063 2.353 1.00 0.00 C ATOM 447 OD1 ASP A 34 -0.860 6.990 1.678 1.00 0.00 O ATOM 448 OD2 ASP A 34 0.049 6.150 3.530 1.00 0.00 O ATOM 0 H ASP A 34 -0.486 2.414 0.693 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.371 4.351 1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.026 3.957 2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.567 4.733 0.953 1.00 0.00 H new ATOM 453 N THR A 35 -1.017 4.575 -1.371 1.00 0.00 N ATOM 454 CA THR A 35 -1.077 5.256 -2.653 1.00 0.00 C ATOM 455 C THR A 35 -2.525 5.357 -3.136 1.00 0.00 C ATOM 456 O THR A 35 -2.863 6.250 -3.912 1.00 0.00 O ATOM 457 CB THR A 35 -0.162 4.511 -3.627 1.00 0.00 C ATOM 458 OG1 THR A 35 1.134 4.632 -3.047 1.00 0.00 O ATOM 459 CG2 THR A 35 -0.036 5.224 -4.974 1.00 0.00 C ATOM 0 H THR A 35 -0.442 3.733 -1.362 1.00 0.00 H new ATOM 0 HA THR A 35 -0.722 6.283 -2.572 1.00 0.00 H new ATOM 0 HB THR A 35 -0.545 3.503 -3.785 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.305 3.862 -2.465 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.624 4.653 -5.627 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.020 5.307 -5.435 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.378 6.221 -4.821 1.00 0.00 H new ATOM 467 N LEU A 36 -3.341 4.430 -2.658 1.00 0.00 N ATOM 468 CA LEU A 36 -4.745 4.403 -3.032 1.00 0.00 C ATOM 469 C LEU A 36 -5.566 5.127 -1.963 1.00 0.00 C ATOM 470 O LEU A 36 -6.715 5.498 -2.202 1.00 0.00 O ATOM 471 CB LEU A 36 -5.203 2.967 -3.291 1.00 0.00 C ATOM 472 CG LEU A 36 -4.843 2.385 -4.659 1.00 0.00 C ATOM 473 CD1 LEU A 36 -4.711 0.862 -4.590 1.00 0.00 C ATOM 474 CD2 LEU A 36 -5.849 2.825 -5.725 1.00 0.00 C ATOM 0 H LEU A 36 -3.057 3.691 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.900 4.936 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.774 2.325 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.286 2.925 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.870 2.780 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.455 0.474 -5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.927 0.596 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.657 0.429 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.569 2.397 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.845 2.479 -5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.850 3.913 -5.798 1.00 0.00 H new ATOM 486 N LEU A 37 -4.945 5.308 -0.806 1.00 0.00 N ATOM 487 CA LEU A 37 -5.605 5.981 0.300 1.00 0.00 C ATOM 488 C LEU A 37 -5.819 7.452 -0.059 1.00 0.00 C ATOM 489 O LEU A 37 -6.926 7.972 0.071 1.00 0.00 O ATOM 490 CB LEU A 37 -4.822 5.772 1.598 1.00 0.00 C ATOM 491 CG LEU A 37 -5.054 4.439 2.314 1.00 0.00 C ATOM 492 CD1 LEU A 37 -4.000 4.210 3.400 1.00 0.00 C ATOM 493 CD2 LEU A 37 -6.477 4.356 2.869 1.00 0.00 C ATOM 0 H LEU A 37 -3.992 5.000 -0.611 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.590 5.549 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.759 5.862 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.074 6.580 2.285 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.945 3.635 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.187 3.256 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.008 4.196 2.947 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.053 5.015 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.616 3.399 3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.638 5.167 3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.192 4.442 2.051 1.00 0.00 H new ATOM 505 N SER A 38 -4.741 8.083 -0.503 1.00 0.00 N ATOM 506 CA SER A 38 -4.797 9.485 -0.881 1.00 0.00 C ATOM 507 C SER A 38 -5.762 9.672 -2.053 1.00 0.00 C ATOM 508 O SER A 38 -6.622 10.551 -2.020 1.00 0.00 O ATOM 509 CB SER A 38 -3.408 10.012 -1.247 1.00 0.00 C ATOM 510 OG SER A 38 -3.474 11.265 -1.923 1.00 0.00 O ATOM 0 H SER A 38 -3.824 7.649 -0.609 1.00 0.00 H new ATOM 0 HA SER A 38 -5.159 10.056 -0.026 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.811 10.119 -0.342 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.899 9.285 -1.880 1.00 0.00 H new ATOM 0 HG SER A 38 -2.567 11.569 -2.138 1.00 0.00 H new ATOM 516 N PHE A 39 -5.587 8.832 -3.063 1.00 0.00 N ATOM 517 CA PHE A 39 -6.432 8.894 -4.243 1.00 0.00 C ATOM 518 C PHE A 39 -7.897 9.110 -3.859 1.00 0.00 C ATOM 519 O PHE A 39 -8.557 10.001 -4.390 1.00 0.00 O ATOM 520 CB PHE A 39 -6.298 7.549 -4.961 1.00 0.00 C ATOM 521 CG PHE A 39 -5.151 7.495 -5.972 1.00 0.00 C ATOM 522 CD1 PHE A 39 -3.926 7.983 -5.639 1.00 0.00 C ATOM 523 CD2 PHE A 39 -5.357 6.960 -7.206 1.00 0.00 C ATOM 524 CE1 PHE A 39 -2.862 7.932 -6.578 1.00 0.00 C ATOM 525 CE2 PHE A 39 -4.293 6.910 -8.144 1.00 0.00 C ATOM 526 CZ PHE A 39 -3.068 7.397 -7.811 1.00 0.00 C ATOM 0 H PHE A 39 -4.872 8.105 -3.088 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.124 9.726 -4.877 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.151 6.765 -4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.233 7.329 -5.476 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.762 8.409 -4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.330 6.574 -7.472 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.889 8.318 -6.313 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.457 6.485 -9.123 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.259 7.359 -8.525 1.00 0.00 H new ATOM 536 N GLY A 40 -8.362 8.278 -2.938 1.00 0.00 N ATOM 537 CA GLY A 40 -9.737 8.367 -2.476 1.00 0.00 C ATOM 538 C GLY A 40 -10.377 6.980 -2.391 1.00 0.00 C ATOM 539 O GLY A 40 -11.422 6.737 -2.993 1.00 0.00 O ATOM 0 H GLY A 40 -7.811 7.540 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.765 8.845 -1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.313 8.996 -3.155 1.00 0.00 H new ATOM 543 N PHE A 41 -9.723 6.106 -1.640 1.00 0.00 N ATOM 544 CA PHE A 41 -10.215 4.749 -1.470 1.00 0.00 C ATOM 545 C PHE A 41 -9.990 4.261 -0.037 1.00 0.00 C ATOM 546 O PHE A 41 -9.062 4.706 0.636 1.00 0.00 O ATOM 547 CB PHE A 41 -9.421 3.861 -2.430 1.00 0.00 C ATOM 548 CG PHE A 41 -9.437 4.344 -3.881 1.00 0.00 C ATOM 549 CD1 PHE A 41 -10.622 4.547 -4.518 1.00 0.00 C ATOM 550 CD2 PHE A 41 -8.266 4.571 -4.535 1.00 0.00 C ATOM 551 CE1 PHE A 41 -10.636 4.996 -5.865 1.00 0.00 C ATOM 552 CE2 PHE A 41 -8.280 5.019 -5.882 1.00 0.00 C ATOM 553 CZ PHE A 41 -9.465 5.222 -6.519 1.00 0.00 C ATOM 0 H PHE A 41 -8.857 6.311 -1.142 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.285 4.712 -1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.388 3.806 -2.087 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.824 2.849 -2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.552 4.367 -3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.325 4.410 -4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.577 5.158 -6.370 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.350 5.199 -6.401 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.476 5.563 -7.544 1.00 0.00 H new ATOM 563 N ALA A 42 -10.856 3.351 0.386 1.00 0.00 N ATOM 564 CA ALA A 42 -10.763 2.797 1.726 1.00 0.00 C ATOM 565 C ALA A 42 -9.456 2.015 1.861 1.00 0.00 C ATOM 566 O ALA A 42 -8.949 1.473 0.880 1.00 0.00 O ATOM 567 CB ALA A 42 -11.993 1.931 2.007 1.00 0.00 C ATOM 0 H ALA A 42 -11.625 2.984 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.748 3.593 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.923 1.515 3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.893 2.541 1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.040 1.119 1.281 1.00 0.00 H new ATOM 573 N GLU A 43 -8.947 1.980 3.084 1.00 0.00 N ATOM 574 CA GLU A 43 -7.708 1.273 3.359 1.00 0.00 C ATOM 575 C GLU A 43 -7.867 -0.217 3.050 1.00 0.00 C ATOM 576 O GLU A 43 -6.896 -0.893 2.713 1.00 0.00 O ATOM 577 CB GLU A 43 -7.264 1.488 4.807 1.00 0.00 C ATOM 578 CG GLU A 43 -5.759 1.256 4.960 1.00 0.00 C ATOM 579 CD GLU A 43 -5.471 0.236 6.064 1.00 0.00 C ATOM 580 OE1 GLU A 43 -5.574 -0.972 5.761 1.00 0.00 O ATOM 581 OE2 GLU A 43 -5.154 0.689 7.185 1.00 0.00 O ATOM 0 H GLU A 43 -9.370 2.430 3.896 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.930 1.677 2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.513 2.502 5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.809 0.809 5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.344 0.903 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.264 2.199 5.193 1.00 0.00 H new ATOM 588 N ASP A 44 -9.100 -0.686 3.177 1.00 0.00 N ATOM 589 CA ASP A 44 -9.399 -2.084 2.916 1.00 0.00 C ATOM 590 C ASP A 44 -9.390 -2.330 1.406 1.00 0.00 C ATOM 591 O ASP A 44 -8.685 -3.214 0.922 1.00 0.00 O ATOM 592 CB ASP A 44 -10.784 -2.459 3.447 1.00 0.00 C ATOM 593 CG ASP A 44 -11.117 -1.906 4.834 1.00 0.00 C ATOM 594 OD1 ASP A 44 -11.251 -0.667 4.933 1.00 0.00 O ATOM 595 OD2 ASP A 44 -11.229 -2.734 5.763 1.00 0.00 O ATOM 0 H ASP A 44 -9.903 -0.123 3.457 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.644 -2.689 3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.535 -2.104 2.741 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.863 -3.546 3.477 1.00 0.00 H new ATOM 600 N VAL A 45 -10.179 -1.531 0.703 1.00 0.00 N ATOM 601 CA VAL A 45 -10.270 -1.650 -0.742 1.00 0.00 C ATOM 602 C VAL A 45 -8.871 -1.531 -1.348 1.00 0.00 C ATOM 603 O VAL A 45 -8.550 -2.218 -2.317 1.00 0.00 O ATOM 604 CB VAL A 45 -11.251 -0.612 -1.292 1.00 0.00 C ATOM 605 CG1 VAL A 45 -10.946 -0.293 -2.757 1.00 0.00 C ATOM 606 CG2 VAL A 45 -12.697 -1.080 -1.122 1.00 0.00 C ATOM 0 H VAL A 45 -10.762 -0.798 1.108 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.663 -2.628 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.127 0.305 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.657 0.447 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.934 0.104 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.029 -1.202 -3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.373 -0.324 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.842 -2.017 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.908 -1.233 -0.064 1.00 0.00 H new ATOM 616 N ALA A 46 -8.075 -0.654 -0.753 1.00 0.00 N ATOM 617 CA ALA A 46 -6.717 -0.437 -1.223 1.00 0.00 C ATOM 618 C ALA A 46 -5.943 -1.754 -1.159 1.00 0.00 C ATOM 619 O ALA A 46 -5.095 -2.022 -2.009 1.00 0.00 O ATOM 620 CB ALA A 46 -6.061 0.667 -0.391 1.00 0.00 C ATOM 0 H ALA A 46 -8.344 -0.086 0.050 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.718 -0.107 -2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.042 0.831 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.633 1.589 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.040 0.369 0.657 1.00 0.00 H new ATOM 626 N ARG A 47 -6.261 -2.542 -0.142 1.00 0.00 N ATOM 627 CA ARG A 47 -5.606 -3.826 0.044 1.00 0.00 C ATOM 628 C ARG A 47 -6.297 -4.901 -0.797 1.00 0.00 C ATOM 629 O ARG A 47 -5.688 -5.916 -1.134 1.00 0.00 O ATOM 630 CB ARG A 47 -5.626 -4.247 1.515 1.00 0.00 C ATOM 631 CG ARG A 47 -4.428 -3.666 2.268 1.00 0.00 C ATOM 632 CD ARG A 47 -4.612 -3.801 3.781 1.00 0.00 C ATOM 633 NE ARG A 47 -3.313 -4.093 4.425 1.00 0.00 N ATOM 634 CZ ARG A 47 -2.722 -5.296 4.414 1.00 0.00 C ATOM 635 NH1 ARG A 47 -3.312 -6.326 3.792 1.00 0.00 N ATOM 636 NH2 ARG A 47 -1.542 -5.469 5.026 1.00 0.00 N ATOM 0 H ARG A 47 -6.964 -2.316 0.562 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.570 -3.719 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.552 -3.909 1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.612 -5.335 1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.517 -4.181 1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.304 -2.615 2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.030 -2.880 4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.323 -4.598 3.999 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.837 -3.331 4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.210 -6.194 3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.863 -7.242 3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.094 -4.685 5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.092 -6.385 5.018 1.00 0.00 H new ATOM 650 N LYS A 48 -7.558 -4.643 -1.111 1.00 0.00 N ATOM 651 CA LYS A 48 -8.337 -5.577 -1.905 1.00 0.00 C ATOM 652 C LYS A 48 -7.966 -5.418 -3.381 1.00 0.00 C ATOM 653 O LYS A 48 -7.850 -6.405 -4.106 1.00 0.00 O ATOM 654 CB LYS A 48 -9.831 -5.401 -1.625 1.00 0.00 C ATOM 655 CG LYS A 48 -10.152 -5.698 -0.159 1.00 0.00 C ATOM 656 CD LYS A 48 -11.511 -6.388 -0.023 1.00 0.00 C ATOM 657 CE LYS A 48 -12.638 -5.361 0.096 1.00 0.00 C ATOM 658 NZ LYS A 48 -12.989 -5.139 1.517 1.00 0.00 N ATOM 0 H LYS A 48 -8.059 -3.800 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.102 -6.604 -1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.133 -4.382 -1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.406 -6.066 -2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.374 -6.332 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.153 -4.769 0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.687 -7.027 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.509 -7.034 0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.330 -4.420 -0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.514 -5.709 -0.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.756 -4.439 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.303 -6.035 1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.156 -4.786 2.029 1.00 0.00 H new ATOM 672 N ALA A 49 -7.790 -4.167 -3.783 1.00 0.00 N ATOM 673 CA ALA A 49 -7.434 -3.867 -5.159 1.00 0.00 C ATOM 674 C ALA A 49 -6.009 -4.353 -5.431 1.00 0.00 C ATOM 675 O ALA A 49 -5.714 -4.847 -6.518 1.00 0.00 O ATOM 676 CB ALA A 49 -7.596 -2.366 -5.412 1.00 0.00 C ATOM 0 H ALA A 49 -7.887 -3.350 -3.180 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.097 -4.388 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.329 -2.140 -6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.632 -2.077 -5.233 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.943 -1.811 -4.739 1.00 0.00 H new ATOM 682 N LEU A 50 -5.162 -4.197 -4.424 1.00 0.00 N ATOM 683 CA LEU A 50 -3.775 -4.614 -4.540 1.00 0.00 C ATOM 684 C LEU A 50 -3.665 -6.103 -4.207 1.00 0.00 C ATOM 685 O LEU A 50 -2.568 -6.658 -4.181 1.00 0.00 O ATOM 686 CB LEU A 50 -2.874 -3.724 -3.682 1.00 0.00 C ATOM 687 CG LEU A 50 -2.824 -2.245 -4.073 1.00 0.00 C ATOM 688 CD1 LEU A 50 -2.278 -1.393 -2.925 1.00 0.00 C ATOM 689 CD2 LEU A 50 -2.028 -2.045 -5.364 1.00 0.00 C ATOM 0 H LEU A 50 -5.410 -3.787 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.424 -4.489 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.207 -3.795 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.861 -4.124 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.842 -1.909 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.253 -0.346 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.922 -1.502 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.270 -1.723 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.008 -0.985 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.008 -2.403 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.499 -2.604 -6.172 1.00 0.00 H new ATOM 701 N LYS A 51 -4.818 -6.708 -3.961 1.00 0.00 N ATOM 702 CA LYS A 51 -4.865 -8.122 -3.631 1.00 0.00 C ATOM 703 C LYS A 51 -5.053 -8.935 -4.913 1.00 0.00 C ATOM 704 O LYS A 51 -4.408 -9.966 -5.100 1.00 0.00 O ATOM 705 CB LYS A 51 -5.935 -8.390 -2.571 1.00 0.00 C ATOM 706 CG LYS A 51 -6.482 -9.814 -2.690 1.00 0.00 C ATOM 707 CD LYS A 51 -7.068 -10.289 -1.359 1.00 0.00 C ATOM 708 CE LYS A 51 -5.984 -10.901 -0.470 1.00 0.00 C ATOM 709 NZ LYS A 51 -6.242 -10.586 0.953 1.00 0.00 N ATOM 0 H LYS A 51 -5.726 -6.245 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.922 -8.440 -3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.513 -8.241 -1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.749 -7.674 -2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.250 -9.849 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.685 -10.489 -3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.535 -9.450 -0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.850 -11.025 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.957 -11.982 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.006 -10.517 -0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.497 -11.009 1.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.245 -9.554 1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.166 -10.973 1.232 1.00 0.00 H new ATOM 723 N ALA A 52 -5.940 -8.441 -5.764 1.00 0.00 N ATOM 724 CA ALA A 52 -6.222 -9.109 -7.024 1.00 0.00 C ATOM 725 C ALA A 52 -5.277 -8.574 -8.102 1.00 0.00 C ATOM 726 O ALA A 52 -4.796 -9.332 -8.943 1.00 0.00 O ATOM 727 CB ALA A 52 -7.694 -8.911 -7.389 1.00 0.00 C ATOM 0 H ALA A 52 -6.473 -7.586 -5.606 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.050 -10.182 -6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.905 -9.412 -8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.323 -9.334 -6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.904 -7.846 -7.488 1.00 0.00 H new ATOM 733 N SER A 53 -5.039 -7.272 -8.042 1.00 0.00 N ATOM 734 CA SER A 53 -4.160 -6.626 -9.003 1.00 0.00 C ATOM 735 C SER A 53 -2.727 -7.128 -8.820 1.00 0.00 C ATOM 736 O SER A 53 -2.069 -7.506 -9.788 1.00 0.00 O ATOM 737 CB SER A 53 -4.212 -5.104 -8.861 1.00 0.00 C ATOM 738 OG SER A 53 -3.420 -4.643 -7.770 1.00 0.00 O ATOM 0 H SER A 53 -5.439 -6.647 -7.343 1.00 0.00 H new ATOM 0 HA SER A 53 -4.502 -6.881 -10.006 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.862 -4.641 -9.784 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.245 -4.788 -8.718 1.00 0.00 H new ATOM 0 HG SER A 53 -3.036 -3.769 -7.991 1.00 0.00 H new ATOM 744 N GLY A 54 -2.284 -7.116 -7.571 1.00 0.00 N ATOM 745 CA GLY A 54 -0.940 -7.565 -7.249 1.00 0.00 C ATOM 746 C GLY A 54 0.077 -6.441 -7.454 1.00 0.00 C ATOM 747 O GLY A 54 0.639 -6.298 -8.539 1.00 0.00 O ATOM 0 H GLY A 54 -2.832 -6.802 -6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.905 -7.908 -6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.677 -8.417 -7.876 1.00 0.00 H new ATOM 751 N GLY A 55 0.284 -5.673 -6.395 1.00 0.00 N ATOM 752 CA GLY A 55 1.224 -4.566 -6.445 1.00 0.00 C ATOM 753 C GLY A 55 1.086 -3.789 -7.756 1.00 0.00 C ATOM 754 O GLY A 55 2.084 -3.374 -8.343 1.00 0.00 O ATOM 0 H GLY A 55 -0.183 -5.795 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.050 -3.898 -5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.242 -4.944 -6.347 1.00 0.00 H new ATOM 758 N ASP A 56 -0.158 -3.614 -8.175 1.00 0.00 N ATOM 759 CA ASP A 56 -0.439 -2.894 -9.406 1.00 0.00 C ATOM 760 C ASP A 56 -1.513 -1.837 -9.139 1.00 0.00 C ATOM 761 O ASP A 56 -2.706 -2.130 -9.196 1.00 0.00 O ATOM 762 CB ASP A 56 -0.965 -3.838 -10.489 1.00 0.00 C ATOM 763 CG ASP A 56 0.052 -4.857 -11.007 1.00 0.00 C ATOM 764 OD1 ASP A 56 1.230 -4.463 -11.147 1.00 0.00 O ATOM 765 OD2 ASP A 56 -0.372 -6.007 -11.252 1.00 0.00 O ATOM 0 H ASP A 56 -0.983 -3.958 -7.684 1.00 0.00 H new ATOM 0 HA ASP A 56 0.489 -2.435 -9.747 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.827 -4.376 -10.094 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.319 -3.241 -11.329 1.00 0.00 H new ATOM 770 N ILE A 57 -1.050 -0.629 -8.853 1.00 0.00 N ATOM 771 CA ILE A 57 -1.955 0.474 -8.577 1.00 0.00 C ATOM 772 C ILE A 57 -2.855 0.705 -9.792 1.00 0.00 C ATOM 773 O ILE A 57 -4.076 0.776 -9.661 1.00 0.00 O ATOM 774 CB ILE A 57 -1.172 1.715 -8.146 1.00 0.00 C ATOM 775 CG1 ILE A 57 -0.633 1.557 -6.723 1.00 0.00 C ATOM 776 CG2 ILE A 57 -2.020 2.979 -8.301 1.00 0.00 C ATOM 777 CD1 ILE A 57 -1.733 1.808 -5.689 1.00 0.00 C ATOM 0 H ILE A 57 -0.060 -0.390 -8.806 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.607 0.231 -7.738 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.311 1.822 -8.806 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.229 0.553 -6.593 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.189 2.255 -6.562 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.440 3.847 -7.988 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.312 3.095 -9.345 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.913 2.896 -7.681 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.323 1.689 -4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.118 2.821 -5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.542 1.093 -5.837 1.00 0.00 H new ATOM 789 N GLU A 58 -2.217 0.817 -10.948 1.00 0.00 N ATOM 790 CA GLU A 58 -2.945 1.039 -12.186 1.00 0.00 C ATOM 791 C GLU A 58 -4.116 0.060 -12.296 1.00 0.00 C ATOM 792 O GLU A 58 -5.188 0.421 -12.779 1.00 0.00 O ATOM 793 CB GLU A 58 -2.016 0.921 -13.396 1.00 0.00 C ATOM 794 CG GLU A 58 -1.425 2.283 -13.768 1.00 0.00 C ATOM 795 CD GLU A 58 -1.831 2.688 -15.186 1.00 0.00 C ATOM 796 OE1 GLU A 58 -1.566 1.882 -16.104 1.00 0.00 O ATOM 797 OE2 GLU A 58 -2.396 3.795 -15.320 1.00 0.00 O ATOM 0 H GLU A 58 -1.204 0.758 -11.053 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.345 2.053 -12.173 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.212 0.220 -13.174 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.567 0.516 -14.244 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.766 3.037 -13.059 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.338 2.244 -13.694 1.00 0.00 H new ATOM 804 N LYS A 59 -3.871 -1.160 -11.841 1.00 0.00 N ATOM 805 CA LYS A 59 -4.891 -2.193 -11.883 1.00 0.00 C ATOM 806 C LYS A 59 -5.760 -2.097 -10.627 1.00 0.00 C ATOM 807 O LYS A 59 -6.947 -2.417 -10.663 1.00 0.00 O ATOM 808 CB LYS A 59 -4.253 -3.569 -12.085 1.00 0.00 C ATOM 809 CG LYS A 59 -3.870 -3.786 -13.550 1.00 0.00 C ATOM 810 CD LYS A 59 -4.488 -5.075 -14.094 1.00 0.00 C ATOM 811 CE LYS A 59 -5.995 -4.915 -14.302 1.00 0.00 C ATOM 812 NZ LYS A 59 -6.744 -5.631 -13.244 1.00 0.00 N ATOM 0 H LYS A 59 -2.980 -1.456 -11.441 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.549 -2.044 -12.739 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.367 -3.659 -11.457 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.948 -4.346 -11.768 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.206 -2.938 -14.147 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.785 -3.832 -13.643 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.013 -5.340 -15.039 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.298 -5.894 -13.401 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.259 -3.858 -14.291 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.276 -5.303 -15.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.671 -5.925 -13.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.207 -6.471 -12.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.881 -5.001 -12.428 1.00 0.00 H new ATOM 826 N ALA A 60 -5.134 -1.654 -9.546 1.00 0.00 N ATOM 827 CA ALA A 60 -5.835 -1.512 -8.281 1.00 0.00 C ATOM 828 C ALA A 60 -6.905 -0.426 -8.415 1.00 0.00 C ATOM 829 O ALA A 60 -8.023 -0.587 -7.929 1.00 0.00 O ATOM 830 CB ALA A 60 -4.829 -1.204 -7.171 1.00 0.00 C ATOM 0 H ALA A 60 -4.149 -1.389 -9.520 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.339 -2.441 -8.016 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.355 -1.098 -6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.108 -2.018 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.305 -0.276 -7.402 1.00 0.00 H new ATOM 836 N THR A 61 -6.524 0.656 -9.078 1.00 0.00 N ATOM 837 CA THR A 61 -7.436 1.768 -9.282 1.00 0.00 C ATOM 838 C THR A 61 -8.655 1.317 -10.090 1.00 0.00 C ATOM 839 O THR A 61 -9.755 1.837 -9.904 1.00 0.00 O ATOM 840 CB THR A 61 -6.656 2.905 -9.946 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.649 3.237 -8.993 1.00 0.00 O ATOM 842 CG2 THR A 61 -7.483 4.186 -10.076 1.00 0.00 C ATOM 0 H THR A 61 -5.596 0.786 -9.481 1.00 0.00 H new ATOM 0 HA THR A 61 -7.830 2.134 -8.334 1.00 0.00 H new ATOM 0 HB THR A 61 -6.322 2.587 -10.934 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.908 2.600 -9.065 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.882 4.960 -10.553 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.367 3.988 -10.682 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.789 4.523 -9.086 1.00 0.00 H new ATOM 850 N ASP A 62 -8.419 0.354 -10.969 1.00 0.00 N ATOM 851 CA ASP A 62 -9.484 -0.173 -11.805 1.00 0.00 C ATOM 852 C ASP A 62 -10.314 -1.172 -10.996 1.00 0.00 C ATOM 853 O ASP A 62 -11.542 -1.172 -11.075 1.00 0.00 O ATOM 854 CB ASP A 62 -8.917 -0.906 -13.022 1.00 0.00 C ATOM 855 CG ASP A 62 -9.925 -1.177 -14.141 1.00 0.00 C ATOM 856 OD1 ASP A 62 -10.617 -0.211 -14.528 1.00 0.00 O ATOM 857 OD2 ASP A 62 -9.980 -2.345 -14.584 1.00 0.00 O ATOM 0 H ASP A 62 -7.506 -0.075 -11.120 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.095 0.665 -12.141 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.094 -0.320 -13.429 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.499 -1.857 -12.692 1.00 0.00 H new ATOM 862 N TRP A 63 -9.611 -2.001 -10.238 1.00 0.00 N ATOM 863 CA TRP A 63 -10.268 -3.003 -9.416 1.00 0.00 C ATOM 864 C TRP A 63 -11.349 -2.303 -8.591 1.00 0.00 C ATOM 865 O TRP A 63 -12.448 -2.830 -8.427 1.00 0.00 O ATOM 866 CB TRP A 63 -9.252 -3.756 -8.555 1.00 0.00 C ATOM 867 CG TRP A 63 -9.850 -4.921 -7.763 1.00 0.00 C ATOM 868 CD1 TRP A 63 -9.906 -6.213 -8.112 1.00 0.00 C ATOM 869 CD2 TRP A 63 -10.480 -4.846 -6.466 1.00 0.00 C ATOM 870 NE1 TRP A 63 -10.522 -6.974 -7.139 1.00 0.00 N ATOM 871 CE2 TRP A 63 -10.882 -6.115 -6.106 1.00 0.00 C ATOM 872 CE3 TRP A 63 -10.701 -3.741 -5.625 1.00 0.00 C ATOM 873 CZ2 TRP A 63 -11.531 -6.401 -4.899 1.00 0.00 C ATOM 874 CZ3 TRP A 63 -11.351 -4.043 -4.422 1.00 0.00 C ATOM 875 CH2 TRP A 63 -11.763 -5.316 -4.045 1.00 0.00 C ATOM 0 H TRP A 63 -8.593 -1.999 -10.176 1.00 0.00 H new ATOM 0 HA TRP A 63 -10.743 -3.762 -10.038 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.458 -4.136 -9.197 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.791 -3.055 -7.859 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -9.518 -6.610 -9.039 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -10.683 -7.981 -7.172 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -10.394 -2.739 -5.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -11.836 -7.404 -4.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -11.546 -3.230 -3.739 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -12.260 -5.467 -3.098 1.00 0.00 H new ATOM 886 N VAL A 64 -11.000 -1.125 -8.094 1.00 0.00 N ATOM 887 CA VAL A 64 -11.928 -0.348 -7.290 1.00 0.00 C ATOM 888 C VAL A 64 -13.157 0.000 -8.131 1.00 0.00 C ATOM 889 O VAL A 64 -14.263 0.109 -7.604 1.00 0.00 O ATOM 890 CB VAL A 64 -11.222 0.886 -6.724 1.00 0.00 C ATOM 891 CG1 VAL A 64 -12.154 1.676 -5.803 1.00 0.00 C ATOM 892 CG2 VAL A 64 -9.934 0.496 -5.997 1.00 0.00 C ATOM 0 H VAL A 64 -10.088 -0.690 -8.233 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.273 -0.930 -6.435 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.952 1.531 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.628 2.548 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.030 2.001 -6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.469 1.042 -4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.452 1.392 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.171 -0.179 -5.174 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.260 -0.003 -6.693 1.00 0.00 H new ATOM 902 N PHE A 65 -12.923 0.164 -9.425 1.00 0.00 N ATOM 903 CA PHE A 65 -13.998 0.497 -10.344 1.00 0.00 C ATOM 904 C PHE A 65 -14.595 -0.765 -10.969 1.00 0.00 C ATOM 905 O PHE A 65 -15.635 -0.705 -11.624 1.00 0.00 O ATOM 906 CB PHE A 65 -13.389 1.361 -11.450 1.00 0.00 C ATOM 907 CG PHE A 65 -12.425 2.435 -10.942 1.00 0.00 C ATOM 908 CD1 PHE A 65 -12.496 2.856 -9.651 1.00 0.00 C ATOM 909 CD2 PHE A 65 -11.498 2.969 -11.781 1.00 0.00 C ATOM 910 CE1 PHE A 65 -11.601 3.852 -9.179 1.00 0.00 C ATOM 911 CE2 PHE A 65 -10.604 3.966 -11.310 1.00 0.00 C ATOM 912 CZ PHE A 65 -10.674 4.387 -10.018 1.00 0.00 C ATOM 0 H PHE A 65 -12.004 0.072 -9.859 1.00 0.00 H new ATOM 0 HA PHE A 65 -14.794 1.018 -9.813 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.860 0.715 -12.151 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.194 1.843 -12.005 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -13.233 2.433 -8.985 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.442 2.634 -12.806 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.656 4.185 -8.153 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.868 4.390 -11.977 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.994 5.145 -9.659 1.00 0.00 H new