USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 559 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 29 THR OG1 : rot 180:sc= -0.168 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 132:sc= 1.27 USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= -0.317 (180deg=-0.357) USER MOD Single : A 33 SER OG : rot -82:sc= 0.587 USER MOD Single : A 38 THR OG1 : rot 164:sc= 0.413 USER MOD Single : A 44 SER OG : rot 86:sc= 1.22 USER MOD Single : A 46 MET CE :methyl 134:sc= -0.637 (180deg=-3.17) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -70:sc= 1.25 USER MOD Single : A 58 SER OG : rot -111:sc= 0.194 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0.033 X(o=0.033,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl 169:sc= -1.73! (180deg=-1.93) USER MOD Single : A 96 SER OG : rot 77:sc= 1.03 USER MOD Single : A 99 SER OG : rot 78:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 377 N ASN A 27 -2.483 -3.802 10.247 1.00 62.21 N ATOM 378 CA ASN A 27 -2.915 -5.165 9.981 1.00 54.10 C ATOM 379 C ASN A 27 -2.022 -5.774 8.915 1.00 51.22 C ATOM 380 O ASN A 27 -1.079 -5.133 8.449 1.00 61.10 O ATOM 381 CB ASN A 27 -4.375 -5.211 9.508 1.00 44.20 C ATOM 382 CG ASN A 27 -5.373 -4.879 10.599 1.00 52.14 C ATOM 383 OD1 ASN A 27 -5.813 -5.755 11.344 1.00 31.12 O ATOM 384 ND2 ASN A 27 -5.749 -3.616 10.698 1.00 62.33 N ATOM 0 HA ASN A 27 -2.841 -5.732 10.909 1.00 54.10 H new ATOM 0 HB2 ASN A 27 -4.504 -4.511 8.683 1.00 44.20 H new ATOM 0 HB3 ASN A 27 -4.592 -6.206 9.118 1.00 44.20 H new ATOM 0 HD21 ASN A 27 -6.425 -3.340 11.410 1.00 62.33 H new ATOM 0 HD22 ASN A 27 -5.363 -2.918 10.063 1.00 62.33 H new ATOM 391 N CYS A 28 -2.311 -7.007 8.537 1.00 1.30 N ATOM 392 CA CYS A 28 -1.626 -7.640 7.420 1.00 44.32 C ATOM 393 C CYS A 28 -2.518 -7.576 6.187 1.00 23.04 C ATOM 394 O CYS A 28 -2.265 -8.217 5.163 1.00 64.23 O ATOM 395 CB CYS A 28 -1.272 -9.082 7.770 1.00 3.32 C ATOM 396 SG CYS A 28 -0.259 -9.238 9.260 1.00 60.02 S ATOM 0 H CYS A 28 -3.016 -7.591 8.987 1.00 1.30 H new ATOM 0 HA CYS A 28 -0.696 -7.112 7.208 1.00 44.32 H new ATOM 0 HB2 CYS A 28 -2.192 -9.651 7.905 1.00 3.32 H new ATOM 0 HB3 CYS A 28 -0.740 -9.531 6.931 1.00 3.32 H new ATOM 0 HG CYS A 28 -0.007 -10.494 9.484 1.00 60.02 H new ATOM 402 N THR A 29 -3.565 -6.775 6.316 1.00 2.44 N ATOM 403 CA THR A 29 -4.512 -6.534 5.251 1.00 70.01 C ATOM 404 C THR A 29 -4.663 -5.031 5.057 1.00 73.14 C ATOM 405 O THR A 29 -4.847 -4.295 6.026 1.00 3.45 O ATOM 406 CB THR A 29 -5.885 -7.157 5.580 1.00 55.54 C ATOM 407 OG1 THR A 29 -5.729 -8.554 5.866 1.00 53.12 O ATOM 408 CG2 THR A 29 -6.864 -6.978 4.426 1.00 33.54 C ATOM 0 H THR A 29 -3.779 -6.270 7.176 1.00 2.44 H new ATOM 0 HA THR A 29 -4.141 -6.997 4.337 1.00 70.01 H new ATOM 0 HB THR A 29 -6.288 -6.644 6.453 1.00 55.54 H new ATOM 0 HG1 THR A 29 -6.603 -8.945 6.076 1.00 53.12 H new ATOM 0 HG21 THR A 29 -7.822 -7.427 4.688 1.00 33.54 H new ATOM 0 HG22 THR A 29 -7.004 -5.915 4.229 1.00 33.54 H new ATOM 0 HG23 THR A 29 -6.468 -7.463 3.534 1.00 33.54 H new ATOM 416 N SER A 30 -4.565 -4.575 3.823 1.00 23.03 N ATOM 417 CA SER A 30 -4.650 -3.155 3.537 1.00 65.13 C ATOM 418 C SER A 30 -6.057 -2.781 3.090 1.00 12.03 C ATOM 419 O SER A 30 -6.531 -3.228 2.042 1.00 3.12 O ATOM 420 CB SER A 30 -3.622 -2.762 2.466 1.00 3.40 C ATOM 421 OG SER A 30 -3.691 -1.378 2.163 1.00 13.33 O ATOM 0 H SER A 30 -4.427 -5.166 3.003 1.00 23.03 H new ATOM 0 HA SER A 30 -4.424 -2.606 4.451 1.00 65.13 H new ATOM 0 HB2 SER A 30 -2.619 -3.010 2.814 1.00 3.40 H new ATOM 0 HB3 SER A 30 -3.798 -3.343 1.561 1.00 3.40 H new ATOM 0 HG SER A 30 -2.788 -0.996 2.169 1.00 13.33 H new ATOM 427 N LYS A 31 -6.733 -1.997 3.917 1.00 52.22 N ATOM 428 CA LYS A 31 -8.027 -1.439 3.560 1.00 64.25 C ATOM 429 C LYS A 31 -7.844 -0.017 3.062 1.00 1.34 C ATOM 430 O LYS A 31 -7.474 0.877 3.823 1.00 64.22 O ATOM 431 CB LYS A 31 -8.977 -1.444 4.761 1.00 65.25 C ATOM 432 CG LYS A 31 -9.478 -2.823 5.153 1.00 12.23 C ATOM 433 CD LYS A 31 -10.332 -3.439 4.056 1.00 0.42 C ATOM 434 CE LYS A 31 -11.556 -2.588 3.742 1.00 11.15 C ATOM 435 NZ LYS A 31 -12.387 -3.195 2.668 1.00 61.33 N ATOM 0 H LYS A 31 -6.403 -1.732 4.845 1.00 52.22 H new ATOM 0 HA LYS A 31 -8.464 -2.055 2.774 1.00 64.25 H new ATOM 0 HB2 LYS A 31 -8.467 -0.999 5.615 1.00 65.25 H new ATOM 0 HB3 LYS A 31 -9.834 -0.809 4.535 1.00 65.25 H new ATOM 0 HG2 LYS A 31 -8.629 -3.473 5.363 1.00 12.23 H new ATOM 0 HG3 LYS A 31 -10.060 -2.752 6.072 1.00 12.23 H new ATOM 0 HD2 LYS A 31 -9.732 -3.559 3.154 1.00 0.42 H new ATOM 0 HD3 LYS A 31 -10.651 -4.435 4.361 1.00 0.42 H new ATOM 0 HE2 LYS A 31 -12.157 -2.468 4.643 1.00 11.15 H new ATOM 0 HE3 LYS A 31 -11.238 -1.591 3.436 1.00 11.15 H new ATOM 0 HZ1 LYS A 31 -13.220 -2.597 2.493 1.00 61.33 H new ATOM 0 HZ2 LYS A 31 -11.826 -3.271 1.796 1.00 61.33 H new ATOM 0 HZ3 LYS A 31 -12.697 -4.143 2.963 1.00 61.33 H new ATOM 449 N PHE A 32 -8.103 0.190 1.788 1.00 0.30 N ATOM 450 CA PHE A 32 -7.906 1.493 1.182 1.00 10.32 C ATOM 451 C PHE A 32 -9.199 1.974 0.542 1.00 52.00 C ATOM 452 O PHE A 32 -9.727 1.335 -0.365 1.00 44.10 O ATOM 453 CB PHE A 32 -6.775 1.424 0.149 1.00 52.12 C ATOM 454 CG PHE A 32 -6.375 2.759 -0.406 1.00 11.32 C ATOM 455 CD1 PHE A 32 -5.940 3.773 0.435 1.00 71.32 C ATOM 456 CD2 PHE A 32 -6.429 2.998 -1.767 1.00 64.21 C ATOM 457 CE1 PHE A 32 -5.574 5.004 -0.074 1.00 1.33 C ATOM 458 CE2 PHE A 32 -6.066 4.226 -2.281 1.00 3.40 C ATOM 459 CZ PHE A 32 -5.635 5.229 -1.434 1.00 62.51 C ATOM 0 H PHE A 32 -8.451 -0.526 1.151 1.00 0.30 H new ATOM 0 HA PHE A 32 -7.623 2.208 1.954 1.00 10.32 H new ATOM 0 HB2 PHE A 32 -5.904 0.957 0.609 1.00 52.12 H new ATOM 0 HB3 PHE A 32 -7.086 0.778 -0.673 1.00 52.12 H new ATOM 0 HD1 PHE A 32 -5.887 3.598 1.499 1.00 71.32 H new ATOM 0 HD2 PHE A 32 -6.759 2.216 -2.434 1.00 64.21 H new ATOM 0 HE1 PHE A 32 -5.241 5.788 0.590 1.00 1.33 H new ATOM 0 HE2 PHE A 32 -6.119 4.403 -3.345 1.00 3.40 H new ATOM 0 HZ PHE A 32 -5.346 6.189 -1.836 1.00 62.51 H new ATOM 469 N SER A 33 -9.715 3.087 1.034 1.00 63.40 N ATOM 470 CA SER A 33 -10.950 3.644 0.520 1.00 15.43 C ATOM 471 C SER A 33 -10.706 5.022 -0.083 1.00 52.43 C ATOM 472 O SER A 33 -10.048 5.873 0.516 1.00 4.02 O ATOM 473 CB SER A 33 -11.995 3.724 1.636 1.00 3.04 C ATOM 474 OG SER A 33 -12.134 2.474 2.301 1.00 23.24 O ATOM 0 H SER A 33 -9.294 3.624 1.792 1.00 63.40 H new ATOM 0 HA SER A 33 -11.327 2.990 -0.266 1.00 15.43 H new ATOM 0 HB2 SER A 33 -11.706 4.491 2.354 1.00 3.04 H new ATOM 0 HB3 SER A 33 -12.955 4.025 1.218 1.00 3.04 H new ATOM 0 HG SER A 33 -12.726 1.891 1.782 1.00 23.24 H new ATOM 480 N ARG A 34 -11.219 5.223 -1.283 1.00 23.11 N ATOM 481 CA ARG A 34 -11.088 6.492 -1.977 1.00 43.22 C ATOM 482 C ARG A 34 -12.420 6.915 -2.574 1.00 13.40 C ATOM 483 O ARG A 34 -13.248 6.074 -2.919 1.00 11.32 O ATOM 484 CB ARG A 34 -10.037 6.393 -3.082 1.00 4.42 C ATOM 485 CG ARG A 34 -8.597 6.414 -2.590 1.00 53.13 C ATOM 486 CD ARG A 34 -8.203 7.768 -2.011 1.00 53.01 C ATOM 487 NE ARG A 34 -8.865 8.045 -0.735 1.00 50.20 N ATOM 488 CZ ARG A 34 -9.260 9.258 -0.348 1.00 13.23 C ATOM 489 NH1 ARG A 34 -9.051 10.310 -1.134 1.00 32.13 N ATOM 490 NH2 ARG A 34 -9.863 9.419 0.825 1.00 55.22 N ATOM 0 H ARG A 34 -11.737 4.514 -1.803 1.00 23.11 H new ATOM 0 HA ARG A 34 -10.771 7.242 -1.252 1.00 43.22 H new ATOM 0 HB2 ARG A 34 -10.203 5.472 -3.642 1.00 4.42 H new ATOM 0 HB3 ARG A 34 -10.182 7.219 -3.778 1.00 4.42 H new ATOM 0 HG2 ARG A 34 -8.464 5.644 -1.830 1.00 53.13 H new ATOM 0 HG3 ARG A 34 -7.930 6.166 -3.416 1.00 53.13 H new ATOM 0 HD2 ARG A 34 -7.123 7.799 -1.871 1.00 53.01 H new ATOM 0 HD3 ARG A 34 -8.454 8.552 -2.725 1.00 53.01 H new ATOM 0 HE ARG A 34 -9.034 7.262 -0.104 1.00 50.20 H new ATOM 0 HH11 ARG A 34 -8.588 10.190 -2.035 1.00 32.13 H new ATOM 0 HH12 ARG A 34 -9.354 11.237 -0.836 1.00 32.13 H new ATOM 0 HH21 ARG A 34 -10.024 8.614 1.430 1.00 55.22 H new ATOM 0 HH22 ARG A 34 -10.165 10.348 1.120 1.00 55.22 H new ATOM 504 N PHE A 35 -12.630 8.214 -2.684 1.00 1.10 N ATOM 505 CA PHE A 35 -13.836 8.733 -3.303 1.00 61.34 C ATOM 506 C PHE A 35 -13.505 9.315 -4.666 1.00 23.54 C ATOM 507 O PHE A 35 -12.547 10.073 -4.807 1.00 74.14 O ATOM 508 CB PHE A 35 -14.488 9.804 -2.426 1.00 2.41 C ATOM 509 CG PHE A 35 -14.894 9.315 -1.066 1.00 33.11 C ATOM 510 CD1 PHE A 35 -15.969 8.453 -0.919 1.00 63.42 C ATOM 511 CD2 PHE A 35 -14.206 9.722 0.064 1.00 32.40 C ATOM 512 CE1 PHE A 35 -16.351 8.008 0.331 1.00 52.21 C ATOM 513 CE2 PHE A 35 -14.583 9.281 1.317 1.00 14.14 C ATOM 514 CZ PHE A 35 -15.654 8.421 1.450 1.00 24.01 C ATOM 0 H PHE A 35 -11.982 8.929 -2.353 1.00 1.10 H new ATOM 0 HA PHE A 35 -14.542 7.910 -3.419 1.00 61.34 H new ATOM 0 HB2 PHE A 35 -13.793 10.636 -2.309 1.00 2.41 H new ATOM 0 HB3 PHE A 35 -15.368 10.193 -2.939 1.00 2.41 H new ATOM 0 HD1 PHE A 35 -16.514 8.126 -1.792 1.00 63.42 H new ATOM 0 HD2 PHE A 35 -13.365 10.392 -0.035 1.00 32.40 H new ATOM 0 HE1 PHE A 35 -17.192 7.339 0.434 1.00 52.21 H new ATOM 0 HE2 PHE A 35 -14.041 9.609 2.192 1.00 14.14 H new ATOM 0 HZ PHE A 35 -15.947 8.071 2.429 1.00 24.01 H new ATOM 524 N PHE A 36 -14.289 8.952 -5.663 1.00 13.12 N ATOM 525 CA PHE A 36 -14.066 9.425 -7.020 1.00 22.13 C ATOM 526 C PHE A 36 -15.342 10.025 -7.586 1.00 74.33 C ATOM 527 O PHE A 36 -16.403 9.917 -6.973 1.00 71.50 O ATOM 528 CB PHE A 36 -13.576 8.286 -7.916 1.00 13.41 C ATOM 529 CG PHE A 36 -12.238 7.733 -7.509 1.00 72.31 C ATOM 530 CD1 PHE A 36 -11.090 8.495 -7.655 1.00 41.05 C ATOM 531 CD2 PHE A 36 -12.128 6.457 -6.978 1.00 63.40 C ATOM 532 CE1 PHE A 36 -9.858 7.995 -7.280 1.00 0.10 C ATOM 533 CE2 PHE A 36 -10.899 5.952 -6.604 1.00 53.01 C ATOM 534 CZ PHE A 36 -9.761 6.722 -6.754 1.00 3.04 C ATOM 0 H PHE A 36 -15.090 8.329 -5.560 1.00 13.12 H new ATOM 0 HA PHE A 36 -13.297 10.197 -6.991 1.00 22.13 H new ATOM 0 HB2 PHE A 36 -14.312 7.482 -7.902 1.00 13.41 H new ATOM 0 HB3 PHE A 36 -13.514 8.644 -8.944 1.00 13.41 H new ATOM 0 HD1 PHE A 36 -11.159 9.491 -8.067 1.00 41.05 H new ATOM 0 HD2 PHE A 36 -13.014 5.851 -6.856 1.00 63.40 H new ATOM 0 HE1 PHE A 36 -8.971 8.600 -7.398 1.00 0.10 H new ATOM 0 HE2 PHE A 36 -10.827 4.955 -6.194 1.00 53.01 H new ATOM 0 HZ PHE A 36 -8.799 6.329 -6.461 1.00 3.04 H new ATOM 544 N ALA A 37 -15.237 10.652 -8.751 1.00 31.24 N ATOM 545 CA ALA A 37 -16.382 11.297 -9.378 1.00 62.23 C ATOM 546 C ALA A 37 -17.395 10.271 -9.869 1.00 33.14 C ATOM 547 O ALA A 37 -18.574 10.331 -9.519 1.00 3.23 O ATOM 548 CB ALA A 37 -15.924 12.180 -10.529 1.00 31.04 C ATOM 0 H ALA A 37 -14.369 10.727 -9.281 1.00 31.24 H new ATOM 0 HA ALA A 37 -16.871 11.918 -8.627 1.00 62.23 H new ATOM 0 HB1 ALA A 37 -16.790 12.656 -10.989 1.00 31.04 H new ATOM 0 HB2 ALA A 37 -15.246 12.946 -10.153 1.00 31.04 H new ATOM 0 HB3 ALA A 37 -15.408 11.571 -11.271 1.00 31.04 H new ATOM 554 N THR A 38 -16.943 9.330 -10.682 1.00 45.12 N ATOM 555 CA THR A 38 -17.828 8.304 -11.206 1.00 33.31 C ATOM 556 C THR A 38 -17.248 6.923 -10.957 1.00 72.42 C ATOM 557 O THR A 38 -16.078 6.793 -10.596 1.00 42.21 O ATOM 558 CB THR A 38 -18.084 8.483 -12.719 1.00 43.12 C ATOM 559 OG1 THR A 38 -16.842 8.451 -13.435 1.00 23.04 O ATOM 560 CG2 THR A 38 -18.801 9.796 -13.000 1.00 62.55 C ATOM 0 H THR A 38 -15.974 9.256 -10.992 1.00 45.12 H new ATOM 0 HA THR A 38 -18.779 8.405 -10.682 1.00 33.31 H new ATOM 0 HB THR A 38 -18.719 7.663 -13.054 1.00 43.12 H new ATOM 0 HG1 THR A 38 -17.017 8.305 -14.388 1.00 23.04 H new ATOM 0 HG21 THR A 38 -18.969 9.897 -14.072 1.00 62.55 H new ATOM 0 HG22 THR A 38 -19.759 9.806 -12.480 1.00 62.55 H new ATOM 0 HG23 THR A 38 -18.189 10.627 -12.649 1.00 62.55 H new ATOM 568 N ARG A 39 -18.067 5.896 -11.152 1.00 22.44 N ATOM 569 CA ARG A 39 -17.625 4.516 -10.984 1.00 71.13 C ATOM 570 C ARG A 39 -16.480 4.209 -11.952 1.00 43.22 C ATOM 571 O ARG A 39 -15.641 3.348 -11.693 1.00 5.23 O ATOM 572 CB ARG A 39 -18.800 3.564 -11.211 1.00 21.03 C ATOM 573 CG ARG A 39 -19.287 3.527 -12.653 1.00 3.23 C ATOM 574 CD ARG A 39 -20.541 2.685 -12.803 1.00 42.24 C ATOM 575 NE ARG A 39 -21.636 3.191 -11.982 1.00 11.43 N ATOM 576 CZ ARG A 39 -22.890 3.316 -12.399 1.00 24.24 C ATOM 577 NH1 ARG A 39 -23.228 2.973 -13.640 1.00 4.33 N ATOM 578 NH2 ARG A 39 -23.803 3.792 -11.564 1.00 63.20 N ATOM 0 H ARG A 39 -19.044 5.993 -11.428 1.00 22.44 H new ATOM 0 HA ARG A 39 -17.258 4.377 -9.967 1.00 71.13 H new ATOM 0 HB2 ARG A 39 -18.505 2.559 -10.910 1.00 21.03 H new ATOM 0 HB3 ARG A 39 -19.626 3.860 -10.565 1.00 21.03 H new ATOM 0 HG2 ARG A 39 -19.488 4.542 -12.995 1.00 3.23 H new ATOM 0 HG3 ARG A 39 -18.501 3.125 -13.292 1.00 3.23 H new ATOM 0 HD2 ARG A 39 -20.847 2.672 -13.849 1.00 42.24 H new ATOM 0 HD3 ARG A 39 -20.323 1.655 -12.522 1.00 42.24 H new ATOM 0 HE ARG A 39 -21.424 3.467 -11.023 1.00 11.43 H new ATOM 0 HH11 ARG A 39 -22.521 2.611 -14.279 1.00 4.33 H new ATOM 0 HH12 ARG A 39 -24.194 3.073 -13.951 1.00 4.33 H new ATOM 0 HH21 ARG A 39 -23.538 4.057 -10.615 1.00 63.20 H new ATOM 0 HH22 ARG A 39 -24.771 3.894 -11.870 1.00 63.20 H new ATOM 592 N GLU A 40 -16.451 4.953 -13.054 1.00 41.03 N ATOM 593 CA GLU A 40 -15.394 4.851 -14.052 1.00 60.44 C ATOM 594 C GLU A 40 -14.048 5.204 -13.435 1.00 65.33 C ATOM 595 O GLU A 40 -13.073 4.456 -13.553 1.00 75.54 O ATOM 596 CB GLU A 40 -15.689 5.815 -15.195 1.00 22.34 C ATOM 597 CG GLU A 40 -17.086 5.666 -15.770 1.00 63.23 C ATOM 598 CD GLU A 40 -17.482 6.827 -16.658 1.00 41.31 C ATOM 599 OE1 GLU A 40 -17.950 7.855 -16.121 1.00 61.42 O ATOM 600 OE2 GLU A 40 -17.339 6.716 -17.891 1.00 22.42 O ATOM 0 H GLU A 40 -17.164 5.647 -13.280 1.00 41.03 H new ATOM 0 HA GLU A 40 -15.356 3.827 -14.425 1.00 60.44 H new ATOM 0 HB2 GLU A 40 -15.558 6.837 -14.840 1.00 22.34 H new ATOM 0 HB3 GLU A 40 -14.959 5.658 -15.989 1.00 22.34 H new ATOM 0 HG2 GLU A 40 -17.141 4.741 -16.343 1.00 63.23 H new ATOM 0 HG3 GLU A 40 -17.803 5.578 -14.953 1.00 63.23 H new ATOM 607 N GLU A 41 -14.021 6.356 -12.770 1.00 43.25 N ATOM 608 CA GLU A 41 -12.834 6.844 -12.075 1.00 0.23 C ATOM 609 C GLU A 41 -12.332 5.809 -11.068 1.00 63.32 C ATOM 610 O GLU A 41 -11.131 5.701 -10.810 1.00 54.22 O ATOM 611 CB GLU A 41 -13.167 8.154 -11.349 1.00 52.40 C ATOM 612 CG GLU A 41 -13.520 9.307 -12.277 1.00 64.44 C ATOM 613 CD GLU A 41 -12.311 9.893 -12.979 1.00 72.44 C ATOM 614 OE1 GLU A 41 -11.677 9.176 -13.775 1.00 42.41 O ATOM 615 OE2 GLU A 41 -12.000 11.083 -12.738 1.00 2.42 O ATOM 0 H GLU A 41 -14.825 6.979 -12.698 1.00 43.25 H new ATOM 0 HA GLU A 41 -12.048 7.020 -12.809 1.00 0.23 H new ATOM 0 HB2 GLU A 41 -14.002 7.979 -10.671 1.00 52.40 H new ATOM 0 HB3 GLU A 41 -12.314 8.444 -10.736 1.00 52.40 H new ATOM 0 HG2 GLU A 41 -14.234 8.960 -13.024 1.00 64.44 H new ATOM 0 HG3 GLU A 41 -14.015 10.090 -11.703 1.00 64.44 H new ATOM 622 N ALA A 42 -13.269 5.045 -10.520 1.00 53.01 N ATOM 623 CA ALA A 42 -12.960 4.045 -9.505 1.00 31.43 C ATOM 624 C ALA A 42 -12.331 2.797 -10.125 1.00 75.24 C ATOM 625 O ALA A 42 -11.256 2.364 -9.711 1.00 0.42 O ATOM 626 CB ALA A 42 -14.213 3.681 -8.722 1.00 35.53 C ATOM 0 H ALA A 42 -14.258 5.100 -10.764 1.00 53.01 H new ATOM 0 HA ALA A 42 -12.231 4.477 -8.819 1.00 31.43 H new ATOM 0 HB1 ALA A 42 -13.967 2.933 -7.968 1.00 35.53 H new ATOM 0 HB2 ALA A 42 -14.609 4.572 -8.234 1.00 35.53 H new ATOM 0 HB3 ALA A 42 -14.963 3.277 -9.402 1.00 35.53 H new ATOM 632 N GLU A 43 -13.000 2.236 -11.130 1.00 3.23 N ATOM 633 CA GLU A 43 -12.539 1.002 -11.766 1.00 72.54 C ATOM 634 C GLU A 43 -11.176 1.199 -12.424 1.00 44.10 C ATOM 635 O GLU A 43 -10.346 0.289 -12.437 1.00 13.34 O ATOM 636 CB GLU A 43 -13.556 0.518 -12.801 1.00 2.44 C ATOM 637 CG GLU A 43 -14.930 0.247 -12.214 1.00 54.34 C ATOM 638 CD GLU A 43 -15.876 -0.387 -13.208 1.00 54.41 C ATOM 639 OE1 GLU A 43 -16.509 0.354 -13.990 1.00 24.04 O ATOM 640 OE2 GLU A 43 -16.010 -1.628 -13.201 1.00 53.45 O ATOM 0 H GLU A 43 -13.862 2.615 -11.522 1.00 3.23 H new ATOM 0 HA GLU A 43 -12.439 0.244 -10.989 1.00 72.54 H new ATOM 0 HB2 GLU A 43 -13.646 1.266 -13.588 1.00 2.44 H new ATOM 0 HB3 GLU A 43 -13.182 -0.393 -13.268 1.00 2.44 H new ATOM 0 HG2 GLU A 43 -14.828 -0.407 -11.348 1.00 54.34 H new ATOM 0 HG3 GLU A 43 -15.359 1.183 -11.857 1.00 54.34 H new ATOM 647 N SER A 44 -10.943 2.397 -12.947 1.00 62.14 N ATOM 648 CA SER A 44 -9.674 2.728 -13.587 1.00 13.45 C ATOM 649 C SER A 44 -8.519 2.652 -12.589 1.00 14.35 C ATOM 650 O SER A 44 -7.380 2.375 -12.959 1.00 34.30 O ATOM 651 CB SER A 44 -9.743 4.129 -14.198 1.00 71.30 C ATOM 652 OG SER A 44 -10.840 4.245 -15.094 1.00 65.01 O ATOM 0 H SER A 44 -11.620 3.160 -12.940 1.00 62.14 H new ATOM 0 HA SER A 44 -9.493 1.999 -14.377 1.00 13.45 H new ATOM 0 HB2 SER A 44 -9.838 4.870 -13.405 1.00 71.30 H new ATOM 0 HB3 SER A 44 -8.814 4.345 -14.726 1.00 71.30 H new ATOM 0 HG SER A 44 -11.648 4.481 -14.593 1.00 65.01 H new ATOM 658 N PHE A 45 -8.818 2.890 -11.317 1.00 25.43 N ATOM 659 CA PHE A 45 -7.793 2.883 -10.286 1.00 14.04 C ATOM 660 C PHE A 45 -7.459 1.453 -9.871 1.00 10.22 C ATOM 661 O PHE A 45 -6.301 1.123 -9.620 1.00 51.43 O ATOM 662 CB PHE A 45 -8.264 3.698 -9.076 1.00 30.55 C ATOM 663 CG PHE A 45 -7.228 3.854 -7.999 1.00 0.21 C ATOM 664 CD1 PHE A 45 -6.134 4.681 -8.188 1.00 51.55 C ATOM 665 CD2 PHE A 45 -7.352 3.178 -6.796 1.00 10.34 C ATOM 666 CE1 PHE A 45 -5.181 4.829 -7.199 1.00 3.43 C ATOM 667 CE2 PHE A 45 -6.400 3.320 -5.803 1.00 21.13 C ATOM 668 CZ PHE A 45 -5.314 4.148 -6.004 1.00 1.15 C ATOM 0 H PHE A 45 -9.759 3.089 -10.978 1.00 25.43 H new ATOM 0 HA PHE A 45 -6.888 3.340 -10.687 1.00 14.04 H new ATOM 0 HB2 PHE A 45 -8.571 4.687 -9.415 1.00 30.55 H new ATOM 0 HB3 PHE A 45 -9.146 3.219 -8.650 1.00 30.55 H new ATOM 0 HD1 PHE A 45 -6.024 5.217 -9.119 1.00 51.55 H new ATOM 0 HD2 PHE A 45 -8.202 2.533 -6.632 1.00 10.34 H new ATOM 0 HE1 PHE A 45 -4.332 5.477 -7.360 1.00 3.43 H new ATOM 0 HE2 PHE A 45 -6.506 2.784 -4.872 1.00 21.13 H new ATOM 0 HZ PHE A 45 -4.570 4.263 -5.229 1.00 1.15 H new ATOM 678 N MET A 46 -8.475 0.602 -9.839 1.00 61.11 N ATOM 679 CA MET A 46 -8.319 -0.765 -9.353 1.00 53.35 C ATOM 680 C MET A 46 -7.510 -1.627 -10.323 1.00 14.15 C ATOM 681 O MET A 46 -6.818 -2.554 -9.907 1.00 31.23 O ATOM 682 CB MET A 46 -9.694 -1.393 -9.109 1.00 12.02 C ATOM 683 CG MET A 46 -9.634 -2.817 -8.577 1.00 74.40 C ATOM 684 SD MET A 46 -8.687 -2.957 -7.045 1.00 72.31 S ATOM 685 CE MET A 46 -9.589 -1.837 -5.980 1.00 5.51 C ATOM 0 H MET A 46 -9.420 0.834 -10.145 1.00 61.11 H new ATOM 0 HA MET A 46 -7.766 -0.722 -8.415 1.00 53.35 H new ATOM 0 HB2 MET A 46 -10.245 -0.774 -8.401 1.00 12.02 H new ATOM 0 HB3 MET A 46 -10.256 -1.387 -10.043 1.00 12.02 H new ATOM 0 HG2 MET A 46 -10.648 -3.178 -8.405 1.00 74.40 H new ATOM 0 HG3 MET A 46 -9.189 -3.463 -9.333 1.00 74.40 H new ATOM 0 HE1 MET A 46 -9.755 -2.310 -5.012 1.00 5.51 H new ATOM 0 HE2 MET A 46 -9.013 -0.922 -5.843 1.00 5.51 H new ATOM 0 HE3 MET A 46 -10.549 -1.596 -6.436 1.00 5.51 H new ATOM 695 N THR A 47 -7.587 -1.311 -11.611 1.00 63.10 N ATOM 696 CA THR A 47 -6.907 -2.093 -12.643 1.00 20.42 C ATOM 697 C THR A 47 -5.414 -2.250 -12.350 1.00 14.43 C ATOM 698 O THR A 47 -4.889 -3.366 -12.338 1.00 43.42 O ATOM 699 CB THR A 47 -7.090 -1.441 -14.025 1.00 60.42 C ATOM 700 OG1 THR A 47 -8.483 -1.207 -14.261 1.00 65.21 O ATOM 701 CG2 THR A 47 -6.524 -2.322 -15.129 1.00 41.20 C ATOM 0 H THR A 47 -8.116 -0.515 -11.969 1.00 63.10 H new ATOM 0 HA THR A 47 -7.361 -3.084 -12.642 1.00 20.42 H new ATOM 0 HB THR A 47 -6.547 -0.496 -14.034 1.00 60.42 H new ATOM 0 HG1 THR A 47 -8.600 -0.790 -15.140 1.00 65.21 H new ATOM 0 HG21 THR A 47 -6.668 -1.835 -16.093 1.00 41.20 H new ATOM 0 HG22 THR A 47 -5.459 -2.480 -14.958 1.00 41.20 H new ATOM 0 HG23 THR A 47 -7.039 -3.283 -15.128 1.00 41.20 H new ATOM 709 N LYS A 48 -4.741 -1.137 -12.099 1.00 22.53 N ATOM 710 CA LYS A 48 -3.307 -1.163 -11.832 1.00 22.13 C ATOM 711 C LYS A 48 -3.013 -1.722 -10.441 1.00 34.15 C ATOM 712 O LYS A 48 -1.958 -2.314 -10.209 1.00 40.34 O ATOM 713 CB LYS A 48 -2.708 0.227 -12.014 1.00 5.31 C ATOM 714 CG LYS A 48 -3.406 1.311 -11.223 1.00 33.01 C ATOM 715 CD LYS A 48 -3.185 2.664 -11.867 1.00 4.42 C ATOM 716 CE LYS A 48 -1.705 2.973 -12.036 1.00 51.11 C ATOM 717 NZ LYS A 48 -1.477 4.090 -12.990 1.00 41.21 N ATOM 0 H LYS A 48 -5.161 -0.208 -12.074 1.00 22.53 H new ATOM 0 HA LYS A 48 -2.836 -1.831 -12.553 1.00 22.13 H new ATOM 0 HB2 LYS A 48 -1.658 0.199 -11.723 1.00 5.31 H new ATOM 0 HB3 LYS A 48 -2.738 0.488 -13.072 1.00 5.31 H new ATOM 0 HG2 LYS A 48 -4.474 1.098 -11.167 1.00 33.01 H new ATOM 0 HG3 LYS A 48 -3.029 1.323 -10.200 1.00 33.01 H new ATOM 0 HD2 LYS A 48 -3.675 2.688 -12.840 1.00 4.42 H new ATOM 0 HD3 LYS A 48 -3.651 3.438 -11.257 1.00 4.42 H new ATOM 0 HE2 LYS A 48 -1.275 3.229 -11.068 1.00 51.11 H new ATOM 0 HE3 LYS A 48 -1.186 2.082 -12.390 1.00 51.11 H new ATOM 0 HZ1 LYS A 48 -0.456 4.269 -13.077 1.00 41.21 H new ATOM 0 HZ2 LYS A 48 -1.865 3.836 -13.921 1.00 41.21 H new ATOM 0 HZ3 LYS A 48 -1.950 4.947 -12.640 1.00 41.21 H new ATOM 731 N LEU A 49 -3.958 -1.550 -9.524 1.00 20.21 N ATOM 732 CA LEU A 49 -3.836 -2.109 -8.178 1.00 40.14 C ATOM 733 C LEU A 49 -3.785 -3.632 -8.231 1.00 5.11 C ATOM 734 O LEU A 49 -3.058 -4.262 -7.464 1.00 64.04 O ATOM 735 CB LEU A 49 -5.001 -1.649 -7.295 1.00 22.30 C ATOM 736 CG LEU A 49 -4.749 -0.380 -6.465 1.00 52.14 C ATOM 737 CD1 LEU A 49 -3.759 -0.662 -5.346 1.00 34.33 C ATOM 738 CD2 LEU A 49 -4.238 0.757 -7.342 1.00 10.11 C ATOM 0 H LEU A 49 -4.819 -1.028 -9.686 1.00 20.21 H new ATOM 0 HA LEU A 49 -2.905 -1.745 -7.743 1.00 40.14 H new ATOM 0 HB2 LEU A 49 -5.869 -1.478 -7.931 1.00 22.30 H new ATOM 0 HB3 LEU A 49 -5.259 -2.460 -6.615 1.00 22.30 H new ATOM 0 HG LEU A 49 -5.699 -0.074 -6.027 1.00 52.14 H new ATOM 0 HD11 LEU A 49 -3.593 0.248 -4.769 1.00 34.33 H new ATOM 0 HD12 LEU A 49 -4.159 -1.438 -4.693 1.00 34.33 H new ATOM 0 HD13 LEU A 49 -2.814 -0.999 -5.772 1.00 34.33 H new ATOM 0 HD21 LEU A 49 -4.068 1.642 -6.728 1.00 10.11 H new ATOM 0 HD22 LEU A 49 -3.303 0.459 -7.816 1.00 10.11 H new ATOM 0 HD23 LEU A 49 -4.977 0.984 -8.110 1.00 10.11 H new ATOM 750 N LYS A 50 -4.553 -4.210 -9.149 1.00 32.12 N ATOM 751 CA LYS A 50 -4.554 -5.650 -9.379 1.00 53.10 C ATOM 752 C LYS A 50 -3.157 -6.146 -9.741 1.00 20.43 C ATOM 753 O LYS A 50 -2.707 -7.186 -9.254 1.00 32.41 O ATOM 754 CB LYS A 50 -5.516 -5.970 -10.515 1.00 62.32 C ATOM 755 CG LYS A 50 -6.973 -5.738 -10.179 1.00 14.21 C ATOM 756 CD LYS A 50 -7.742 -5.376 -11.429 1.00 3.43 C ATOM 757 CE LYS A 50 -9.203 -5.776 -11.341 1.00 22.32 C ATOM 758 NZ LYS A 50 -9.933 -5.469 -12.599 1.00 63.15 N ATOM 0 H LYS A 50 -5.192 -3.694 -9.754 1.00 32.12 H new ATOM 0 HA LYS A 50 -4.869 -6.151 -8.464 1.00 53.10 H new ATOM 0 HB2 LYS A 50 -5.253 -5.362 -11.381 1.00 62.32 H new ATOM 0 HB3 LYS A 50 -5.383 -7.012 -10.806 1.00 62.32 H new ATOM 0 HG2 LYS A 50 -7.398 -6.635 -9.728 1.00 14.21 H new ATOM 0 HG3 LYS A 50 -7.062 -4.939 -9.443 1.00 14.21 H new ATOM 0 HD2 LYS A 50 -7.671 -4.302 -11.598 1.00 3.43 H new ATOM 0 HD3 LYS A 50 -7.285 -5.865 -12.289 1.00 3.43 H new ATOM 0 HE2 LYS A 50 -9.276 -6.843 -11.129 1.00 22.32 H new ATOM 0 HE3 LYS A 50 -9.674 -5.252 -10.509 1.00 22.32 H new ATOM 0 HZ1 LYS A 50 -10.928 -5.756 -12.502 1.00 63.15 H new ATOM 0 HZ2 LYS A 50 -9.884 -4.448 -12.788 1.00 63.15 H new ATOM 0 HZ3 LYS A 50 -9.498 -5.989 -13.388 1.00 63.15 H new ATOM 772 N GLU A 51 -2.479 -5.390 -10.599 1.00 53.33 N ATOM 773 CA GLU A 51 -1.141 -5.743 -11.053 1.00 35.45 C ATOM 774 C GLU A 51 -0.147 -5.625 -9.901 1.00 3.24 C ATOM 775 O GLU A 51 0.673 -6.518 -9.669 1.00 63.45 O ATOM 776 CB GLU A 51 -0.725 -4.827 -12.206 1.00 32.12 C ATOM 777 CG GLU A 51 -1.743 -4.768 -13.333 1.00 73.31 C ATOM 778 CD GLU A 51 -1.325 -3.828 -14.445 1.00 15.13 C ATOM 779 OE1 GLU A 51 -1.534 -2.606 -14.310 1.00 50.22 O ATOM 780 OE2 GLU A 51 -0.783 -4.311 -15.463 1.00 61.33 O ATOM 0 H GLU A 51 -2.839 -4.522 -10.996 1.00 53.33 H new ATOM 0 HA GLU A 51 -1.146 -6.775 -11.405 1.00 35.45 H new ATOM 0 HB2 GLU A 51 -0.564 -3.821 -11.820 1.00 32.12 H new ATOM 0 HB3 GLU A 51 0.229 -5.171 -12.606 1.00 32.12 H new ATOM 0 HG2 GLU A 51 -1.886 -5.768 -13.742 1.00 73.31 H new ATOM 0 HG3 GLU A 51 -2.705 -4.447 -12.933 1.00 73.31 H new ATOM 787 N LEU A 52 -0.249 -4.525 -9.164 1.00 55.42 N ATOM 788 CA LEU A 52 0.626 -4.268 -8.027 1.00 43.12 C ATOM 789 C LEU A 52 0.451 -5.332 -6.946 1.00 21.44 C ATOM 790 O LEU A 52 1.424 -5.762 -6.321 1.00 43.42 O ATOM 791 CB LEU A 52 0.343 -2.878 -7.450 1.00 3.32 C ATOM 792 CG LEU A 52 0.639 -1.708 -8.390 1.00 30.15 C ATOM 793 CD1 LEU A 52 0.259 -0.390 -7.734 1.00 63.35 C ATOM 794 CD2 LEU A 52 2.109 -1.699 -8.787 1.00 63.11 C ATOM 0 H LEU A 52 -0.936 -3.791 -9.336 1.00 55.42 H new ATOM 0 HA LEU A 52 1.658 -4.308 -8.376 1.00 43.12 H new ATOM 0 HB2 LEU A 52 -0.706 -2.831 -7.157 1.00 3.32 H new ATOM 0 HB3 LEU A 52 0.934 -2.752 -6.543 1.00 3.32 H new ATOM 0 HG LEU A 52 0.039 -1.832 -9.292 1.00 30.15 H new ATOM 0 HD11 LEU A 52 0.476 0.432 -8.416 1.00 63.35 H new ATOM 0 HD12 LEU A 52 -0.805 -0.394 -7.498 1.00 63.35 H new ATOM 0 HD13 LEU A 52 0.833 -0.261 -6.817 1.00 63.35 H new ATOM 0 HD21 LEU A 52 2.300 -0.860 -9.456 1.00 63.11 H new ATOM 0 HD22 LEU A 52 2.726 -1.600 -7.894 1.00 63.11 H new ATOM 0 HD23 LEU A 52 2.354 -2.631 -9.296 1.00 63.11 H new ATOM 806 N ALA A 53 -0.791 -5.762 -6.741 1.00 53.22 N ATOM 807 CA ALA A 53 -1.107 -6.767 -5.733 1.00 64.31 C ATOM 808 C ALA A 53 -0.401 -8.087 -6.020 1.00 54.14 C ATOM 809 O ALA A 53 -0.030 -8.815 -5.102 1.00 43.22 O ATOM 810 CB ALA A 53 -2.611 -6.982 -5.661 1.00 2.53 C ATOM 0 H ALA A 53 -1.600 -5.427 -7.264 1.00 53.22 H new ATOM 0 HA ALA A 53 -0.750 -6.399 -4.771 1.00 64.31 H new ATOM 0 HB1 ALA A 53 -2.835 -7.735 -4.905 1.00 2.53 H new ATOM 0 HB2 ALA A 53 -3.100 -6.045 -5.396 1.00 2.53 H new ATOM 0 HB3 ALA A 53 -2.977 -7.321 -6.630 1.00 2.53 H new ATOM 816 N ALA A 54 -0.220 -8.397 -7.295 1.00 22.31 N ATOM 817 CA ALA A 54 0.447 -9.628 -7.688 1.00 63.25 C ATOM 818 C ALA A 54 1.932 -9.565 -7.363 1.00 61.44 C ATOM 819 O ALA A 54 2.497 -10.504 -6.800 1.00 55.40 O ATOM 820 CB ALA A 54 0.240 -9.889 -9.170 1.00 22.33 C ATOM 0 H ALA A 54 -0.525 -7.814 -8.074 1.00 22.31 H new ATOM 0 HA ALA A 54 0.009 -10.451 -7.123 1.00 63.25 H new ATOM 0 HB1 ALA A 54 0.745 -10.814 -9.451 1.00 22.33 H new ATOM 0 HB2 ALA A 54 -0.826 -9.980 -9.378 1.00 22.33 H new ATOM 0 HB3 ALA A 54 0.653 -9.061 -9.746 1.00 22.33 H new ATOM 826 N ALA A 55 2.548 -8.439 -7.696 1.00 34.25 N ATOM 827 CA ALA A 55 3.978 -8.254 -7.496 1.00 65.04 C ATOM 828 C ALA A 55 4.347 -8.267 -6.017 1.00 53.33 C ATOM 829 O ALA A 55 5.401 -8.777 -5.635 1.00 31.22 O ATOM 830 CB ALA A 55 4.428 -6.953 -8.139 1.00 24.30 C ATOM 0 H ALA A 55 2.075 -7.635 -8.109 1.00 34.25 H new ATOM 0 HA ALA A 55 4.493 -9.089 -7.971 1.00 65.04 H new ATOM 0 HB1 ALA A 55 5.499 -6.822 -7.985 1.00 24.30 H new ATOM 0 HB2 ALA A 55 4.216 -6.983 -9.208 1.00 24.30 H new ATOM 0 HB3 ALA A 55 3.892 -6.119 -7.686 1.00 24.30 H new ATOM 836 N ALA A 56 3.473 -7.717 -5.187 1.00 54.13 N ATOM 837 CA ALA A 56 3.752 -7.594 -3.764 1.00 3.44 C ATOM 838 C ALA A 56 3.368 -8.854 -2.996 1.00 52.43 C ATOM 839 O ALA A 56 3.753 -9.016 -1.842 1.00 63.11 O ATOM 840 CB ALA A 56 3.025 -6.389 -3.193 1.00 12.12 C ATOM 0 H ALA A 56 2.566 -7.349 -5.474 1.00 54.13 H new ATOM 0 HA ALA A 56 4.827 -7.457 -3.650 1.00 3.44 H new ATOM 0 HB1 ALA A 56 3.240 -6.305 -2.128 1.00 12.12 H new ATOM 0 HB2 ALA A 56 3.361 -5.486 -3.703 1.00 12.12 H new ATOM 0 HB3 ALA A 56 1.951 -6.509 -3.338 1.00 12.12 H new ATOM 846 N SER A 57 2.614 -9.747 -3.629 1.00 50.13 N ATOM 847 CA SER A 57 2.159 -10.951 -2.956 1.00 52.54 C ATOM 848 C SER A 57 3.298 -11.946 -2.796 1.00 32.20 C ATOM 849 O SER A 57 4.116 -12.127 -3.698 1.00 74.34 O ATOM 850 CB SER A 57 0.999 -11.597 -3.716 1.00 4.03 C ATOM 851 OG SER A 57 1.426 -12.154 -4.950 1.00 40.41 O ATOM 0 H SER A 57 2.309 -9.658 -4.598 1.00 50.13 H new ATOM 0 HA SER A 57 1.807 -10.664 -1.965 1.00 52.54 H new ATOM 0 HB2 SER A 57 0.550 -12.377 -3.101 1.00 4.03 H new ATOM 0 HB3 SER A 57 0.225 -10.852 -3.901 1.00 4.03 H new ATOM 0 HG SER A 57 1.655 -11.433 -5.573 1.00 40.41 H new ATOM 857 N SER A 58 3.339 -12.585 -1.640 1.00 31.14 N ATOM 858 CA SER A 58 4.364 -13.572 -1.334 1.00 41.21 C ATOM 859 C SER A 58 4.254 -14.786 -2.257 1.00 3.13 C ATOM 860 O SER A 58 5.241 -15.469 -2.527 1.00 34.23 O ATOM 861 CB SER A 58 4.215 -14.019 0.121 1.00 12.31 C ATOM 862 OG SER A 58 3.672 -12.977 0.918 1.00 14.22 O ATOM 0 H SER A 58 2.666 -12.436 -0.888 1.00 31.14 H new ATOM 0 HA SER A 58 5.342 -13.115 -1.488 1.00 41.21 H new ATOM 0 HB2 SER A 58 3.569 -14.896 0.172 1.00 12.31 H new ATOM 0 HB3 SER A 58 5.187 -14.316 0.516 1.00 12.31 H new ATOM 0 HG SER A 58 4.357 -12.646 1.536 1.00 14.22 H new ATOM 868 N ALA A 59 3.047 -15.039 -2.751 1.00 73.01 N ATOM 869 CA ALA A 59 2.773 -16.238 -3.533 1.00 52.23 C ATOM 870 C ALA A 59 2.950 -16.010 -5.031 1.00 43.14 C ATOM 871 O ALA A 59 2.755 -16.933 -5.821 1.00 44.30 O ATOM 872 CB ALA A 59 1.367 -16.736 -3.242 1.00 21.44 C ATOM 0 H ALA A 59 2.241 -14.427 -2.623 1.00 73.01 H new ATOM 0 HA ALA A 59 3.501 -16.993 -3.236 1.00 52.23 H new ATOM 0 HB1 ALA A 59 1.169 -17.632 -3.830 1.00 21.44 H new ATOM 0 HB2 ALA A 59 1.276 -16.971 -2.181 1.00 21.44 H new ATOM 0 HB3 ALA A 59 0.645 -15.963 -3.506 1.00 21.44 H new ATOM 878 N ASP A 60 3.285 -14.776 -5.419 1.00 44.14 N ATOM 879 CA ASP A 60 3.545 -14.420 -6.828 1.00 52.30 C ATOM 880 C ASP A 60 2.281 -14.425 -7.695 1.00 71.44 C ATOM 881 O ASP A 60 2.232 -13.750 -8.725 1.00 30.44 O ATOM 882 CB ASP A 60 4.595 -15.346 -7.455 1.00 13.32 C ATOM 883 CG ASP A 60 5.994 -14.768 -7.401 1.00 72.12 C ATOM 884 OD1 ASP A 60 6.701 -14.995 -6.398 1.00 22.30 O ATOM 885 OD2 ASP A 60 6.399 -14.099 -8.377 1.00 63.43 O ATOM 0 H ASP A 60 3.385 -13.994 -4.772 1.00 44.14 H new ATOM 0 HA ASP A 60 3.926 -13.399 -6.804 1.00 52.30 H new ATOM 0 HB2 ASP A 60 4.583 -16.305 -6.937 1.00 13.32 H new ATOM 0 HB3 ASP A 60 4.327 -15.541 -8.493 1.00 13.32 H new ATOM 890 N GLU A 61 1.284 -15.206 -7.304 1.00 31.31 N ATOM 891 CA GLU A 61 0.014 -15.256 -8.021 1.00 62.32 C ATOM 892 C GLU A 61 -0.717 -13.926 -7.903 1.00 52.31 C ATOM 893 O GLU A 61 -1.047 -13.284 -8.904 1.00 5.31 O ATOM 894 CB GLU A 61 -0.865 -16.376 -7.459 1.00 71.54 C ATOM 895 CG GLU A 61 -0.261 -17.764 -7.595 1.00 4.22 C ATOM 896 CD GLU A 61 -0.200 -18.233 -9.034 1.00 41.34 C ATOM 897 OE1 GLU A 61 0.768 -17.887 -9.739 1.00 40.23 O ATOM 898 OE2 GLU A 61 -1.122 -18.961 -9.464 1.00 43.30 O ATOM 0 H GLU A 61 1.329 -15.818 -6.489 1.00 31.31 H new ATOM 0 HA GLU A 61 0.221 -15.454 -9.073 1.00 62.32 H new ATOM 0 HB2 GLU A 61 -1.059 -16.177 -6.405 1.00 71.54 H new ATOM 0 HB3 GLU A 61 -1.828 -16.359 -7.969 1.00 71.54 H new ATOM 0 HG2 GLU A 61 0.745 -17.762 -7.174 1.00 4.22 H new ATOM 0 HG3 GLU A 61 -0.849 -18.471 -7.011 1.00 4.22 H new ATOM 905 N GLY A 62 -0.944 -13.517 -6.668 1.00 32.33 N ATOM 906 CA GLY A 62 -1.666 -12.299 -6.394 1.00 44.21 C ATOM 907 C GLY A 62 -2.130 -12.259 -4.958 1.00 45.55 C ATOM 908 O GLY A 62 -2.196 -13.297 -4.297 1.00 1.40 O ATOM 0 H GLY A 62 -0.634 -14.019 -5.836 1.00 32.33 H new ATOM 0 HA2 GLY A 62 -1.028 -11.439 -6.598 1.00 44.21 H new ATOM 0 HA3 GLY A 62 -2.525 -12.223 -7.060 1.00 44.21 H new ATOM 912 N ALA A 63 -2.420 -11.072 -4.459 1.00 3.23 N ATOM 913 CA ALA A 63 -2.895 -10.924 -3.098 1.00 74.14 C ATOM 914 C ALA A 63 -4.403 -11.080 -3.042 1.00 22.21 C ATOM 915 O ALA A 63 -5.095 -10.833 -4.034 1.00 12.34 O ATOM 916 CB ALA A 63 -2.479 -9.575 -2.538 1.00 71.01 C ATOM 0 H ALA A 63 -2.335 -10.197 -4.976 1.00 3.23 H new ATOM 0 HA ALA A 63 -2.446 -11.707 -2.487 1.00 74.14 H new ATOM 0 HB1 ALA A 63 -2.843 -9.478 -1.515 1.00 71.01 H new ATOM 0 HB2 ALA A 63 -1.392 -9.498 -2.545 1.00 71.01 H new ATOM 0 HB3 ALA A 63 -2.904 -8.780 -3.151 1.00 71.01 H new ATOM 922 N SER A 64 -4.906 -11.501 -1.891 1.00 15.12 N ATOM 923 CA SER A 64 -6.336 -11.625 -1.688 1.00 51.35 C ATOM 924 C SER A 64 -6.985 -10.252 -1.739 1.00 74.42 C ATOM 925 O SER A 64 -6.951 -9.501 -0.763 1.00 3.42 O ATOM 926 CB SER A 64 -6.618 -12.293 -0.347 1.00 13.25 C ATOM 927 OG SER A 64 -5.929 -13.528 -0.246 1.00 3.31 O ATOM 0 H SER A 64 -4.341 -11.762 -1.083 1.00 15.12 H new ATOM 0 HA SER A 64 -6.756 -12.244 -2.481 1.00 51.35 H new ATOM 0 HB2 SER A 64 -6.312 -11.633 0.465 1.00 13.25 H new ATOM 0 HB3 SER A 64 -7.690 -12.459 -0.236 1.00 13.25 H new ATOM 0 HG SER A 64 -6.122 -13.940 0.622 1.00 3.31 H new ATOM 933 N VAL A 65 -7.534 -9.912 -2.892 1.00 24.02 N ATOM 934 CA VAL A 65 -8.133 -8.607 -3.091 1.00 11.23 C ATOM 935 C VAL A 65 -9.656 -8.688 -3.037 1.00 74.50 C ATOM 936 O VAL A 65 -10.293 -9.376 -3.836 1.00 24.02 O ATOM 937 CB VAL A 65 -7.677 -7.962 -4.425 1.00 54.34 C ATOM 938 CG1 VAL A 65 -7.915 -8.893 -5.608 1.00 24.35 C ATOM 939 CG2 VAL A 65 -8.373 -6.623 -4.644 1.00 12.44 C ATOM 0 H VAL A 65 -7.577 -10.525 -3.706 1.00 24.02 H new ATOM 0 HA VAL A 65 -7.789 -7.970 -2.276 1.00 11.23 H new ATOM 0 HB VAL A 65 -6.604 -7.786 -4.355 1.00 54.34 H new ATOM 0 HG11 VAL A 65 -7.583 -8.407 -6.526 1.00 24.35 H new ATOM 0 HG12 VAL A 65 -7.354 -9.816 -5.463 1.00 24.35 H new ATOM 0 HG13 VAL A 65 -8.978 -9.122 -5.683 1.00 24.35 H new ATOM 0 HG21 VAL A 65 -8.038 -6.189 -5.586 1.00 12.44 H new ATOM 0 HG22 VAL A 65 -9.452 -6.775 -4.678 1.00 12.44 H new ATOM 0 HG23 VAL A 65 -8.127 -5.947 -3.825 1.00 12.44 H new ATOM 949 N ALA A 66 -10.224 -8.015 -2.058 1.00 61.22 N ATOM 950 CA ALA A 66 -11.662 -7.866 -1.959 1.00 13.44 C ATOM 951 C ALA A 66 -12.026 -6.412 -2.200 1.00 13.24 C ATOM 952 O ALA A 66 -11.854 -5.566 -1.323 1.00 13.44 O ATOM 953 CB ALA A 66 -12.158 -8.336 -0.598 1.00 45.23 C ATOM 0 H ALA A 66 -9.704 -7.557 -1.310 1.00 61.22 H new ATOM 0 HA ALA A 66 -12.146 -8.485 -2.714 1.00 13.44 H new ATOM 0 HB1 ALA A 66 -13.240 -8.216 -0.544 1.00 45.23 H new ATOM 0 HB2 ALA A 66 -11.902 -9.387 -0.460 1.00 45.23 H new ATOM 0 HB3 ALA A 66 -11.687 -7.742 0.186 1.00 45.23 H new ATOM 959 N TYR A 67 -12.482 -6.110 -3.401 1.00 11.13 N ATOM 960 CA TYR A 67 -12.773 -4.735 -3.762 1.00 13.14 C ATOM 961 C TYR A 67 -14.267 -4.526 -3.968 1.00 14.10 C ATOM 962 O TYR A 67 -14.968 -5.411 -4.463 1.00 30.30 O ATOM 963 CB TYR A 67 -11.992 -4.320 -5.020 1.00 24.13 C ATOM 964 CG TYR A 67 -12.245 -5.181 -6.243 1.00 52.10 C ATOM 965 CD1 TYR A 67 -13.332 -4.940 -7.077 1.00 21.22 C ATOM 966 CD2 TYR A 67 -11.396 -6.234 -6.565 1.00 14.00 C ATOM 967 CE1 TYR A 67 -13.562 -5.718 -8.195 1.00 73.32 C ATOM 968 CE2 TYR A 67 -11.619 -7.017 -7.681 1.00 62.32 C ATOM 969 CZ TYR A 67 -12.707 -6.759 -8.492 1.00 74.01 C ATOM 970 OH TYR A 67 -12.935 -7.537 -9.607 1.00 41.11 O ATOM 0 H TYR A 67 -12.658 -6.792 -4.138 1.00 11.13 H new ATOM 0 HA TYR A 67 -12.453 -4.101 -2.935 1.00 13.14 H new ATOM 0 HB2 TYR A 67 -12.244 -3.288 -5.262 1.00 24.13 H new ATOM 0 HB3 TYR A 67 -10.926 -4.343 -4.792 1.00 24.13 H new ATOM 0 HD1 TYR A 67 -14.008 -4.130 -6.846 1.00 21.22 H new ATOM 0 HD2 TYR A 67 -10.547 -6.444 -5.931 1.00 14.00 H new ATOM 0 HE1 TYR A 67 -14.408 -5.512 -8.834 1.00 73.32 H new ATOM 0 HE2 TYR A 67 -10.946 -7.827 -7.918 1.00 62.32 H new ATOM 0 HH TYR A 67 -12.241 -8.226 -9.673 1.00 41.11 H new ATOM 980 N LYS A 68 -14.745 -3.362 -3.564 1.00 44.54 N ATOM 981 CA LYS A 68 -16.130 -2.987 -3.777 1.00 12.20 C ATOM 982 C LYS A 68 -16.224 -1.565 -4.284 1.00 4.42 C ATOM 983 O LYS A 68 -15.341 -0.740 -4.039 1.00 34.32 O ATOM 984 CB LYS A 68 -16.951 -3.130 -2.496 1.00 63.41 C ATOM 985 CG LYS A 68 -17.230 -4.572 -2.119 1.00 54.54 C ATOM 986 CD LYS A 68 -18.138 -4.677 -0.905 1.00 21.00 C ATOM 987 CE LYS A 68 -19.509 -4.083 -1.187 1.00 5.35 C ATOM 988 NZ LYS A 68 -20.438 -4.255 -0.040 1.00 71.13 N ATOM 0 H LYS A 68 -14.188 -2.656 -3.083 1.00 44.54 H new ATOM 0 HA LYS A 68 -16.540 -3.665 -4.526 1.00 12.20 H new ATOM 0 HB2 LYS A 68 -16.421 -2.644 -1.677 1.00 63.41 H new ATOM 0 HB3 LYS A 68 -17.898 -2.604 -2.619 1.00 63.41 H new ATOM 0 HG2 LYS A 68 -17.692 -5.085 -2.963 1.00 54.54 H new ATOM 0 HG3 LYS A 68 -16.289 -5.082 -1.913 1.00 54.54 H new ATOM 0 HD2 LYS A 68 -18.245 -5.723 -0.618 1.00 21.00 H new ATOM 0 HD3 LYS A 68 -17.682 -4.159 -0.061 1.00 21.00 H new ATOM 0 HE2 LYS A 68 -19.405 -3.022 -1.413 1.00 5.35 H new ATOM 0 HE3 LYS A 68 -19.934 -4.557 -2.072 1.00 5.35 H new ATOM 0 HZ1 LYS A 68 -21.361 -3.836 -0.275 1.00 71.13 H new ATOM 0 HZ2 LYS A 68 -20.559 -5.268 0.160 1.00 71.13 H new ATOM 0 HZ3 LYS A 68 -20.046 -3.781 0.799 1.00 71.13 H new ATOM 1002 N ILE A 69 -17.297 -1.296 -4.994 1.00 5.40 N ATOM 1003 CA ILE A 69 -17.546 0.026 -5.541 1.00 41.10 C ATOM 1004 C ILE A 69 -18.972 0.452 -5.237 1.00 73.02 C ATOM 1005 O ILE A 69 -19.929 -0.160 -5.717 1.00 22.14 O ATOM 1006 CB ILE A 69 -17.309 0.071 -7.068 1.00 5.43 C ATOM 1007 CG1 ILE A 69 -15.875 -0.355 -7.396 1.00 1.11 C ATOM 1008 CG2 ILE A 69 -17.591 1.470 -7.609 1.00 11.12 C ATOM 1009 CD1 ILE A 69 -15.573 -0.388 -8.878 1.00 42.31 C ATOM 0 H ILE A 69 -18.021 -1.982 -5.210 1.00 5.40 H new ATOM 0 HA ILE A 69 -16.843 0.714 -5.071 1.00 41.10 H new ATOM 0 HB ILE A 69 -17.995 -0.627 -7.548 1.00 5.43 H new ATOM 0 HG12 ILE A 69 -15.182 0.330 -6.908 1.00 1.11 H new ATOM 0 HG13 ILE A 69 -15.694 -1.344 -6.976 1.00 1.11 H new ATOM 0 HG21 ILE A 69 -17.420 1.485 -8.685 1.00 11.12 H new ATOM 0 HG22 ILE A 69 -18.627 1.738 -7.403 1.00 11.12 H new ATOM 0 HG23 ILE A 69 -16.928 2.187 -7.126 1.00 11.12 H new ATOM 0 HD11 ILE A 69 -14.539 -0.698 -9.032 1.00 42.31 H new ATOM 0 HD12 ILE A 69 -16.241 -1.095 -9.370 1.00 42.31 H new ATOM 0 HD13 ILE A 69 -15.720 0.605 -9.302 1.00 42.31 H new ATOM 1021 N LYS A 70 -19.113 1.485 -4.428 1.00 1.32 N ATOM 1022 CA LYS A 70 -20.427 1.977 -4.061 1.00 55.20 C ATOM 1023 C LYS A 70 -20.740 3.251 -4.815 1.00 30.25 C ATOM 1024 O LYS A 70 -20.030 4.252 -4.689 1.00 51.00 O ATOM 1025 CB LYS A 70 -20.518 2.231 -2.559 1.00 53.21 C ATOM 1026 CG LYS A 70 -21.860 2.791 -2.109 1.00 13.13 C ATOM 1027 CD LYS A 70 -22.987 1.795 -2.325 1.00 63.41 C ATOM 1028 CE LYS A 70 -24.348 2.454 -2.167 1.00 20.23 C ATOM 1029 NZ LYS A 70 -25.460 1.478 -2.315 1.00 23.01 N ATOM 0 H LYS A 70 -18.335 1.999 -4.013 1.00 1.32 H new ATOM 0 HA LYS A 70 -21.157 1.213 -4.327 1.00 55.20 H new ATOM 0 HB2 LYS A 70 -20.329 1.297 -2.030 1.00 53.21 H new ATOM 0 HB3 LYS A 70 -19.730 2.926 -2.269 1.00 53.21 H new ATOM 0 HG2 LYS A 70 -21.807 3.057 -1.053 1.00 13.13 H new ATOM 0 HG3 LYS A 70 -22.074 3.708 -2.659 1.00 13.13 H new ATOM 0 HD2 LYS A 70 -22.905 1.361 -3.321 1.00 63.41 H new ATOM 0 HD3 LYS A 70 -22.893 0.976 -1.612 1.00 63.41 H new ATOM 0 HE2 LYS A 70 -24.410 2.928 -1.187 1.00 20.23 H new ATOM 0 HE3 LYS A 70 -24.457 3.243 -2.911 1.00 20.23 H new ATOM 0 HZ1 LYS A 70 -26.370 1.968 -2.200 1.00 23.01 H new ATOM 0 HZ2 LYS A 70 -25.417 1.044 -3.259 1.00 23.01 H new ATOM 0 HZ3 LYS A 70 -25.372 0.738 -1.589 1.00 23.01 H new ATOM 1043 N ASP A 71 -21.801 3.204 -5.593 1.00 45.44 N ATOM 1044 CA ASP A 71 -22.251 4.360 -6.344 1.00 53.12 C ATOM 1045 C ASP A 71 -23.036 5.294 -5.436 1.00 54.54 C ATOM 1046 O ASP A 71 -24.069 4.910 -4.882 1.00 61.11 O ATOM 1047 CB ASP A 71 -23.120 3.932 -7.526 1.00 52.40 C ATOM 1048 CG ASP A 71 -22.316 3.347 -8.669 1.00 52.24 C ATOM 1049 OD1 ASP A 71 -21.793 4.127 -9.490 1.00 11.03 O ATOM 1050 OD2 ASP A 71 -22.223 2.107 -8.766 1.00 72.44 O ATOM 0 H ASP A 71 -22.373 2.370 -5.723 1.00 45.44 H new ATOM 0 HA ASP A 71 -21.376 4.883 -6.730 1.00 53.12 H new ATOM 0 HB2 ASP A 71 -23.848 3.195 -7.187 1.00 52.40 H new ATOM 0 HB3 ASP A 71 -23.682 4.793 -7.887 1.00 52.40 H new ATOM 1055 N LEU A 72 -22.540 6.509 -5.273 1.00 3.43 N ATOM 1056 CA LEU A 72 -23.191 7.492 -4.421 1.00 24.32 C ATOM 1057 C LEU A 72 -23.766 8.619 -5.268 1.00 73.53 C ATOM 1058 O LEU A 72 -23.727 8.560 -6.499 1.00 73.55 O ATOM 1059 CB LEU A 72 -22.195 8.050 -3.397 1.00 50.51 C ATOM 1060 CG LEU A 72 -21.613 7.022 -2.423 1.00 74.24 C ATOM 1061 CD1 LEU A 72 -20.529 7.651 -1.564 1.00 50.34 C ATOM 1062 CD2 LEU A 72 -22.712 6.434 -1.547 1.00 14.52 C ATOM 0 H LEU A 72 -21.685 6.840 -5.721 1.00 3.43 H new ATOM 0 HA LEU A 72 -24.006 7.007 -3.884 1.00 24.32 H new ATOM 0 HB2 LEU A 72 -21.373 8.523 -3.935 1.00 50.51 H new ATOM 0 HB3 LEU A 72 -22.691 8.832 -2.821 1.00 50.51 H new ATOM 0 HG LEU A 72 -21.166 6.216 -3.004 1.00 74.24 H new ATOM 0 HD11 LEU A 72 -20.128 6.904 -0.879 1.00 50.34 H new ATOM 0 HD12 LEU A 72 -19.728 8.023 -2.203 1.00 50.34 H new ATOM 0 HD13 LEU A 72 -20.951 8.478 -0.993 1.00 50.34 H new ATOM 0 HD21 LEU A 72 -22.280 5.705 -0.861 1.00 14.52 H new ATOM 0 HD22 LEU A 72 -23.188 7.231 -0.977 1.00 14.52 H new ATOM 0 HD23 LEU A 72 -23.455 5.944 -2.176 1.00 14.52 H new ATOM 1074 N GLU A 73 -24.304 9.635 -4.616 1.00 4.24 N ATOM 1075 CA GLU A 73 -24.888 10.759 -5.325 1.00 53.03 C ATOM 1076 C GLU A 73 -23.841 11.846 -5.559 1.00 24.24 C ATOM 1077 O GLU A 73 -23.504 12.606 -4.650 1.00 23.55 O ATOM 1078 CB GLU A 73 -26.079 11.321 -4.545 1.00 72.34 C ATOM 1079 CG GLU A 73 -27.001 12.185 -5.386 1.00 45.41 C ATOM 1080 CD GLU A 73 -27.565 11.427 -6.568 1.00 73.44 C ATOM 1081 OE1 GLU A 73 -28.544 10.671 -6.381 1.00 34.45 O ATOM 1082 OE2 GLU A 73 -27.025 11.567 -7.682 1.00 61.43 O ATOM 0 H GLU A 73 -24.348 9.704 -3.599 1.00 4.24 H new ATOM 0 HA GLU A 73 -25.243 10.410 -6.294 1.00 53.03 H new ATOM 0 HB2 GLU A 73 -26.652 10.494 -4.126 1.00 72.34 H new ATOM 0 HB3 GLU A 73 -25.708 11.909 -3.706 1.00 72.34 H new ATOM 0 HG2 GLU A 73 -27.819 12.552 -4.766 1.00 45.41 H new ATOM 0 HG3 GLU A 73 -26.455 13.058 -5.742 1.00 45.41 H new ATOM 1089 N GLY A 74 -23.302 11.890 -6.770 1.00 31.22 N ATOM 1090 CA GLY A 74 -22.322 12.902 -7.117 1.00 52.11 C ATOM 1091 C GLY A 74 -20.907 12.367 -7.073 1.00 22.23 C ATOM 1092 O GLY A 74 -19.990 12.962 -7.638 1.00 41.02 O ATOM 0 H GLY A 74 -23.527 11.239 -7.523 1.00 31.22 H new ATOM 0 HA2 GLY A 74 -22.534 13.283 -8.116 1.00 52.11 H new ATOM 0 HA3 GLY A 74 -22.412 13.743 -6.430 1.00 52.11 H new ATOM 1096 N GLN A 75 -20.741 11.229 -6.415 1.00 40.21 N ATOM 1097 CA GLN A 75 -19.432 10.615 -6.244 1.00 1.54 C ATOM 1098 C GLN A 75 -19.586 9.112 -6.048 1.00 1.04 C ATOM 1099 O GLN A 75 -20.701 8.605 -6.005 1.00 41.11 O ATOM 1100 CB GLN A 75 -18.714 11.224 -5.034 1.00 50.02 C ATOM 1101 CG GLN A 75 -19.461 11.022 -3.725 1.00 15.45 C ATOM 1102 CD GLN A 75 -18.756 11.654 -2.542 1.00 5.25 C ATOM 1103 OE1 GLN A 75 -19.000 12.813 -2.208 1.00 62.44 O ATOM 1104 NE2 GLN A 75 -17.874 10.903 -1.899 1.00 74.32 N ATOM 0 H GLN A 75 -21.506 10.707 -5.986 1.00 40.21 H new ATOM 0 HA GLN A 75 -18.838 10.802 -7.138 1.00 1.54 H new ATOM 0 HB2 GLN A 75 -17.721 10.782 -4.949 1.00 50.02 H new ATOM 0 HB3 GLN A 75 -18.574 12.292 -5.203 1.00 50.02 H new ATOM 0 HG2 GLN A 75 -20.462 11.445 -3.814 1.00 15.45 H new ATOM 0 HG3 GLN A 75 -19.582 9.954 -3.542 1.00 15.45 H new ATOM 0 HE21 GLN A 75 -17.699 9.946 -2.206 1.00 74.32 H new ATOM 0 HE22 GLN A 75 -17.370 11.282 -1.097 1.00 74.32 H new ATOM 1113 N VAL A 76 -18.472 8.406 -5.939 1.00 15.12 N ATOM 1114 CA VAL A 76 -18.490 6.973 -5.661 1.00 34.54 C ATOM 1115 C VAL A 76 -17.428 6.619 -4.633 1.00 2.52 C ATOM 1116 O VAL A 76 -16.479 7.379 -4.425 1.00 45.41 O ATOM 1117 CB VAL A 76 -18.251 6.127 -6.929 1.00 1.14 C ATOM 1118 CG1 VAL A 76 -19.351 6.348 -7.956 1.00 73.44 C ATOM 1119 CG2 VAL A 76 -16.886 6.429 -7.527 1.00 51.44 C ATOM 0 H VAL A 76 -17.537 8.802 -6.039 1.00 15.12 H new ATOM 0 HA VAL A 76 -19.483 6.743 -5.276 1.00 34.54 H new ATOM 0 HB VAL A 76 -18.274 5.077 -6.639 1.00 1.14 H new ATOM 0 HG11 VAL A 76 -19.154 5.738 -8.838 1.00 73.44 H new ATOM 0 HG12 VAL A 76 -20.312 6.065 -7.527 1.00 73.44 H new ATOM 0 HG13 VAL A 76 -19.377 7.400 -8.241 1.00 73.44 H new ATOM 0 HG21 VAL A 76 -16.738 5.822 -8.420 1.00 51.44 H new ATOM 0 HG22 VAL A 76 -16.831 7.485 -7.793 1.00 51.44 H new ATOM 0 HG23 VAL A 76 -16.110 6.197 -6.798 1.00 51.44 H new ATOM 1129 N GLU A 77 -17.590 5.474 -3.990 1.00 0.52 N ATOM 1130 CA GLU A 77 -16.617 5.003 -3.021 1.00 74.34 C ATOM 1131 C GLU A 77 -15.911 3.753 -3.537 1.00 63.12 C ATOM 1132 O GLU A 77 -16.537 2.711 -3.744 1.00 33.42 O ATOM 1133 CB GLU A 77 -17.284 4.710 -1.674 1.00 70.43 C ATOM 1134 CG GLU A 77 -16.304 4.250 -0.608 1.00 21.21 C ATOM 1135 CD GLU A 77 -16.971 3.949 0.717 1.00 71.11 C ATOM 1136 OE1 GLU A 77 -17.116 4.880 1.538 1.00 14.11 O ATOM 1137 OE2 GLU A 77 -17.338 2.782 0.953 1.00 2.14 O ATOM 0 H GLU A 77 -18.388 4.853 -4.123 1.00 0.52 H new ATOM 0 HA GLU A 77 -15.878 5.791 -2.876 1.00 74.34 H new ATOM 0 HB2 GLU A 77 -17.794 5.608 -1.326 1.00 70.43 H new ATOM 0 HB3 GLU A 77 -18.046 3.943 -1.813 1.00 70.43 H new ATOM 0 HG2 GLU A 77 -15.786 3.357 -0.959 1.00 21.21 H new ATOM 0 HG3 GLU A 77 -15.547 5.021 -0.461 1.00 21.21 H new ATOM 1144 N LEU A 78 -14.611 3.875 -3.763 1.00 43.33 N ATOM 1145 CA LEU A 78 -13.787 2.744 -4.151 1.00 2.44 C ATOM 1146 C LEU A 78 -13.180 2.143 -2.892 1.00 24.50 C ATOM 1147 O LEU A 78 -12.408 2.801 -2.188 1.00 54.30 O ATOM 1148 CB LEU A 78 -12.701 3.196 -5.148 1.00 65.05 C ATOM 1149 CG LEU A 78 -11.852 2.088 -5.807 1.00 35.54 C ATOM 1150 CD1 LEU A 78 -10.771 1.577 -4.864 1.00 24.43 C ATOM 1151 CD2 LEU A 78 -12.732 0.934 -6.267 1.00 33.31 C ATOM 0 H LEU A 78 -14.102 4.755 -3.683 1.00 43.33 H new ATOM 0 HA LEU A 78 -14.387 1.985 -4.653 1.00 2.44 H new ATOM 0 HB2 LEU A 78 -13.185 3.769 -5.939 1.00 65.05 H new ATOM 0 HB3 LEU A 78 -12.026 3.877 -4.629 1.00 65.05 H new ATOM 0 HG LEU A 78 -11.363 2.527 -6.677 1.00 35.54 H new ATOM 0 HD11 LEU A 78 -10.193 0.798 -5.361 1.00 24.43 H new ATOM 0 HD12 LEU A 78 -10.110 2.399 -4.588 1.00 24.43 H new ATOM 0 HD13 LEU A 78 -11.235 1.168 -3.967 1.00 24.43 H new ATOM 0 HD21 LEU A 78 -12.112 0.165 -6.728 1.00 33.31 H new ATOM 0 HD22 LEU A 78 -13.256 0.512 -5.409 1.00 33.31 H new ATOM 0 HD23 LEU A 78 -13.459 1.298 -6.993 1.00 33.31 H new ATOM 1163 N ASP A 79 -13.550 0.908 -2.603 1.00 72.23 N ATOM 1164 CA ASP A 79 -13.120 0.248 -1.380 1.00 43.30 C ATOM 1165 C ASP A 79 -12.254 -0.959 -1.705 1.00 54.24 C ATOM 1166 O ASP A 79 -12.704 -1.897 -2.361 1.00 53.22 O ATOM 1167 CB ASP A 79 -14.339 -0.176 -0.556 1.00 41.14 C ATOM 1168 CG ASP A 79 -13.966 -0.690 0.819 1.00 25.52 C ATOM 1169 OD1 ASP A 79 -13.656 0.141 1.697 1.00 63.01 O ATOM 1170 OD2 ASP A 79 -13.995 -1.921 1.030 1.00 32.55 O ATOM 0 H ASP A 79 -14.150 0.339 -3.200 1.00 72.23 H new ATOM 0 HA ASP A 79 -12.527 0.949 -0.793 1.00 43.30 H new ATOM 0 HB2 ASP A 79 -15.014 0.673 -0.451 1.00 41.14 H new ATOM 0 HB3 ASP A 79 -14.884 -0.952 -1.094 1.00 41.14 H new ATOM 1175 N ALA A 80 -11.007 -0.923 -1.265 1.00 61.42 N ATOM 1176 CA ALA A 80 -10.066 -1.993 -1.545 1.00 62.44 C ATOM 1177 C ALA A 80 -9.637 -2.710 -0.269 1.00 44.12 C ATOM 1178 O ALA A 80 -9.538 -2.103 0.799 1.00 65.10 O ATOM 1179 CB ALA A 80 -8.853 -1.438 -2.273 1.00 54.32 C ATOM 0 H ALA A 80 -10.622 -0.159 -0.709 1.00 61.42 H new ATOM 0 HA ALA A 80 -10.565 -2.724 -2.181 1.00 62.44 H new ATOM 0 HB1 ALA A 80 -8.151 -2.246 -2.480 1.00 54.32 H new ATOM 0 HB2 ALA A 80 -9.169 -0.983 -3.212 1.00 54.32 H new ATOM 0 HB3 ALA A 80 -8.367 -0.686 -1.651 1.00 54.32 H new ATOM 1185 N ALA A 81 -9.392 -4.003 -0.394 1.00 73.13 N ATOM 1186 CA ALA A 81 -8.916 -4.820 0.708 1.00 35.21 C ATOM 1187 C ALA A 81 -7.916 -5.842 0.197 1.00 42.55 C ATOM 1188 O ALA A 81 -8.292 -6.803 -0.471 1.00 13.11 O ATOM 1189 CB ALA A 81 -10.076 -5.520 1.399 1.00 43.12 C ATOM 0 H ALA A 81 -9.518 -4.517 -1.266 1.00 73.13 H new ATOM 0 HA ALA A 81 -8.426 -4.173 1.435 1.00 35.21 H new ATOM 0 HB1 ALA A 81 -9.697 -6.127 2.221 1.00 43.12 H new ATOM 0 HB2 ALA A 81 -10.771 -4.775 1.788 1.00 43.12 H new ATOM 0 HB3 ALA A 81 -10.593 -6.160 0.684 1.00 43.12 H new ATOM 1195 N PHE A 82 -6.647 -5.619 0.488 1.00 45.52 N ATOM 1196 CA PHE A 82 -5.596 -6.520 0.037 1.00 3.20 C ATOM 1197 C PHE A 82 -5.011 -7.298 1.211 1.00 42.14 C ATOM 1198 O PHE A 82 -4.364 -6.723 2.086 1.00 11.22 O ATOM 1199 CB PHE A 82 -4.485 -5.744 -0.673 1.00 13.31 C ATOM 1200 CG PHE A 82 -4.932 -5.026 -1.914 1.00 51.30 C ATOM 1201 CD1 PHE A 82 -4.886 -5.653 -3.148 1.00 75.04 C ATOM 1202 CD2 PHE A 82 -5.392 -3.720 -1.848 1.00 13.13 C ATOM 1203 CE1 PHE A 82 -5.290 -4.992 -4.292 1.00 72.30 C ATOM 1204 CE2 PHE A 82 -5.798 -3.056 -2.987 1.00 65.05 C ATOM 1205 CZ PHE A 82 -5.747 -3.693 -4.211 1.00 11.34 C ATOM 0 H PHE A 82 -6.317 -4.823 1.034 1.00 45.52 H new ATOM 0 HA PHE A 82 -6.040 -7.224 -0.667 1.00 3.20 H new ATOM 0 HB2 PHE A 82 -4.064 -5.017 0.022 1.00 13.31 H new ATOM 0 HB3 PHE A 82 -3.685 -6.436 -0.935 1.00 13.31 H new ATOM 0 HD1 PHE A 82 -4.530 -6.670 -3.217 1.00 75.04 H new ATOM 0 HD2 PHE A 82 -5.433 -3.216 -0.894 1.00 13.13 H new ATOM 0 HE1 PHE A 82 -5.248 -5.492 -5.249 1.00 72.30 H new ATOM 0 HE2 PHE A 82 -6.155 -2.039 -2.921 1.00 65.05 H new ATOM 0 HZ PHE A 82 -6.065 -3.175 -5.104 1.00 11.34 H new ATOM 1215 N THR A 83 -5.249 -8.599 1.227 1.00 34.31 N ATOM 1216 CA THR A 83 -4.717 -9.459 2.270 1.00 14.01 C ATOM 1217 C THR A 83 -3.399 -10.084 1.822 1.00 62.13 C ATOM 1218 O THR A 83 -3.374 -10.938 0.935 1.00 72.42 O ATOM 1219 CB THR A 83 -5.718 -10.573 2.633 1.00 10.13 C ATOM 1220 OG1 THR A 83 -7.012 -10.001 2.862 1.00 23.23 O ATOM 1221 CG2 THR A 83 -5.269 -11.328 3.877 1.00 22.32 C ATOM 0 H THR A 83 -5.810 -9.084 0.526 1.00 34.31 H new ATOM 0 HA THR A 83 -4.544 -8.844 3.153 1.00 14.01 H new ATOM 0 HB THR A 83 -5.765 -11.276 1.801 1.00 10.13 H new ATOM 0 HG1 THR A 83 -7.648 -10.711 3.091 1.00 23.23 H new ATOM 0 HG21 THR A 83 -5.994 -12.108 4.110 1.00 22.32 H new ATOM 0 HG22 THR A 83 -4.294 -11.781 3.696 1.00 22.32 H new ATOM 0 HG23 THR A 83 -5.198 -10.636 4.716 1.00 22.32 H new ATOM 1229 N PHE A 84 -2.301 -9.632 2.419 1.00 31.42 N ATOM 1230 CA PHE A 84 -0.978 -10.156 2.084 1.00 64.00 C ATOM 1231 C PHE A 84 -0.536 -11.185 3.108 1.00 43.32 C ATOM 1232 O PHE A 84 0.438 -11.911 2.905 1.00 62.01 O ATOM 1233 CB PHE A 84 0.046 -9.026 2.005 1.00 31.21 C ATOM 1234 CG PHE A 84 -0.206 -8.067 0.882 1.00 31.44 C ATOM 1235 CD1 PHE A 84 0.278 -8.332 -0.387 1.00 63.21 C ATOM 1236 CD2 PHE A 84 -0.930 -6.905 1.095 1.00 64.22 C ATOM 1237 CE1 PHE A 84 0.045 -7.454 -1.426 1.00 62.24 C ATOM 1238 CE2 PHE A 84 -1.166 -6.027 0.061 1.00 71.21 C ATOM 1239 CZ PHE A 84 -0.678 -6.302 -1.202 1.00 72.22 C ATOM 0 H PHE A 84 -2.299 -8.906 3.136 1.00 31.42 H new ATOM 0 HA PHE A 84 -1.043 -10.637 1.108 1.00 64.00 H new ATOM 0 HB2 PHE A 84 0.044 -8.478 2.947 1.00 31.21 H new ATOM 0 HB3 PHE A 84 1.041 -9.456 1.889 1.00 31.21 H new ATOM 0 HD1 PHE A 84 0.843 -9.235 -0.566 1.00 63.21 H new ATOM 0 HD2 PHE A 84 -1.313 -6.686 2.081 1.00 64.22 H new ATOM 0 HE1 PHE A 84 0.428 -7.669 -2.413 1.00 62.24 H new ATOM 0 HE2 PHE A 84 -1.732 -5.124 0.237 1.00 71.21 H new ATOM 0 HZ PHE A 84 -0.863 -5.614 -2.014 1.00 72.22 H new ATOM 1249 N SER A 85 -1.261 -11.204 4.217 1.00 21.42 N ATOM 1250 CA SER A 85 -1.040 -12.142 5.327 1.00 52.13 C ATOM 1251 C SER A 85 0.196 -11.758 6.151 1.00 1.14 C ATOM 1252 O SER A 85 0.226 -11.951 7.368 1.00 23.33 O ATOM 1253 CB SER A 85 -0.929 -13.587 4.823 1.00 43.35 C ATOM 1254 OG SER A 85 -2.068 -13.950 4.052 1.00 20.05 O ATOM 0 H SER A 85 -2.035 -10.560 4.381 1.00 21.42 H new ATOM 0 HA SER A 85 -1.910 -12.078 5.981 1.00 52.13 H new ATOM 0 HB2 SER A 85 -0.028 -13.697 4.220 1.00 43.35 H new ATOM 0 HB3 SER A 85 -0.829 -14.264 5.671 1.00 43.35 H new ATOM 0 HG SER A 85 -1.972 -14.874 3.741 1.00 20.05 H new ATOM 1260 N CYS A 86 1.198 -11.205 5.489 1.00 54.20 N ATOM 1261 CA CYS A 86 2.384 -10.709 6.159 1.00 10.12 C ATOM 1262 C CYS A 86 2.347 -9.188 6.194 1.00 32.12 C ATOM 1263 O CYS A 86 1.784 -8.556 5.297 1.00 30.30 O ATOM 1264 CB CYS A 86 3.637 -11.193 5.430 1.00 60.14 C ATOM 1265 SG CYS A 86 3.730 -12.988 5.236 1.00 51.30 S ATOM 0 H CYS A 86 1.211 -11.088 4.476 1.00 54.20 H new ATOM 0 HA CYS A 86 2.409 -11.089 7.180 1.00 10.12 H new ATOM 0 HB2 CYS A 86 3.673 -10.729 4.444 1.00 60.14 H new ATOM 0 HB3 CYS A 86 4.517 -10.851 5.975 1.00 60.14 H new ATOM 0 HG CYS A 86 4.823 -13.300 4.606 1.00 51.30 H new ATOM 1271 N GLN A 87 2.934 -8.599 7.225 1.00 31.14 N ATOM 1272 CA GLN A 87 2.914 -7.152 7.378 1.00 25.32 C ATOM 1273 C GLN A 87 3.916 -6.484 6.445 1.00 4.22 C ATOM 1274 O GLN A 87 3.680 -5.375 5.968 1.00 3.12 O ATOM 1275 CB GLN A 87 3.181 -6.753 8.829 1.00 2.12 C ATOM 1276 CG GLN A 87 3.198 -5.251 9.047 1.00 74.13 C ATOM 1277 CD GLN A 87 2.854 -4.881 10.470 1.00 70.50 C ATOM 1278 OE1 GLN A 87 3.731 -4.744 11.317 1.00 33.54 O ATOM 1279 NE2 GLN A 87 1.569 -4.731 10.744 1.00 54.43 N ATOM 0 H GLN A 87 3.428 -9.098 7.965 1.00 31.14 H new ATOM 0 HA GLN A 87 1.917 -6.805 7.105 1.00 25.32 H new ATOM 0 HB2 GLN A 87 2.417 -7.197 9.467 1.00 2.12 H new ATOM 0 HB3 GLN A 87 4.138 -7.169 9.142 1.00 2.12 H new ATOM 0 HG2 GLN A 87 4.185 -4.860 8.799 1.00 74.13 H new ATOM 0 HG3 GLN A 87 2.488 -4.778 8.368 1.00 74.13 H new ATOM 0 HE21 GLN A 87 0.873 -4.854 10.009 1.00 54.43 H new ATOM 0 HE22 GLN A 87 1.274 -4.492 11.691 1.00 54.43 H new ATOM 1288 N ALA A 88 5.021 -7.167 6.167 1.00 65.32 N ATOM 1289 CA ALA A 88 6.033 -6.630 5.264 1.00 34.40 C ATOM 1290 C ALA A 88 5.443 -6.473 3.871 1.00 24.23 C ATOM 1291 O ALA A 88 5.539 -5.410 3.262 1.00 73.22 O ATOM 1292 CB ALA A 88 7.269 -7.518 5.229 1.00 32.30 C ATOM 0 H ALA A 88 5.238 -8.087 6.551 1.00 65.32 H new ATOM 0 HA ALA A 88 6.344 -5.652 5.633 1.00 34.40 H new ATOM 0 HB1 ALA A 88 8.005 -7.091 4.547 1.00 32.30 H new ATOM 0 HB2 ALA A 88 7.697 -7.585 6.229 1.00 32.30 H new ATOM 0 HB3 ALA A 88 6.991 -8.515 4.885 1.00 32.30 H new ATOM 1298 N GLU A 89 4.810 -7.538 3.393 1.00 41.43 N ATOM 1299 CA GLU A 89 4.077 -7.519 2.144 1.00 65.52 C ATOM 1300 C GLU A 89 3.029 -6.404 2.115 1.00 14.14 C ATOM 1301 O GLU A 89 2.716 -5.862 1.057 1.00 14.33 O ATOM 1302 CB GLU A 89 3.418 -8.883 1.943 1.00 31.04 C ATOM 1303 CG GLU A 89 4.319 -9.908 1.275 1.00 43.24 C ATOM 1304 CD GLU A 89 5.464 -10.407 2.138 1.00 33.01 C ATOM 1305 OE1 GLU A 89 6.365 -9.615 2.477 1.00 73.31 O ATOM 1306 OE2 GLU A 89 5.482 -11.614 2.458 1.00 74.04 O ATOM 0 H GLU A 89 4.794 -8.441 3.867 1.00 41.43 H new ATOM 0 HA GLU A 89 4.774 -7.317 1.331 1.00 65.52 H new ATOM 0 HB2 GLU A 89 3.101 -9.269 2.912 1.00 31.04 H new ATOM 0 HB3 GLU A 89 2.519 -8.756 1.340 1.00 31.04 H new ATOM 0 HG2 GLU A 89 3.712 -10.761 0.972 1.00 43.24 H new ATOM 0 HG3 GLU A 89 4.732 -9.471 0.366 1.00 43.24 H new ATOM 1313 N MET A 90 2.501 -6.057 3.280 1.00 73.03 N ATOM 1314 CA MET A 90 1.505 -5.001 3.379 1.00 45.20 C ATOM 1315 C MET A 90 2.159 -3.624 3.237 1.00 73.32 C ATOM 1316 O MET A 90 1.722 -2.804 2.430 1.00 61.42 O ATOM 1317 CB MET A 90 0.745 -5.114 4.709 1.00 61.50 C ATOM 1318 CG MET A 90 -0.478 -4.214 4.817 1.00 73.21 C ATOM 1319 SD MET A 90 -0.080 -2.511 5.275 1.00 63.42 S ATOM 1320 CE MET A 90 0.608 -2.749 6.910 1.00 31.43 C ATOM 0 H MET A 90 2.746 -6.492 4.170 1.00 73.03 H new ATOM 0 HA MET A 90 0.791 -5.117 2.563 1.00 45.20 H new ATOM 0 HB2 MET A 90 0.432 -6.149 4.847 1.00 61.50 H new ATOM 0 HB3 MET A 90 1.428 -4.876 5.524 1.00 61.50 H new ATOM 0 HG2 MET A 90 -1.004 -4.212 3.862 1.00 73.21 H new ATOM 0 HG3 MET A 90 -1.162 -4.631 5.556 1.00 73.21 H new ATOM 0 HE1 MET A 90 1.077 -1.824 7.245 1.00 31.43 H new ATOM 0 HE2 MET A 90 -0.187 -3.024 7.603 1.00 31.43 H new ATOM 0 HE3 MET A 90 1.353 -3.544 6.879 1.00 31.43 H new ATOM 1330 N ILE A 91 3.225 -3.383 3.999 1.00 4.15 N ATOM 1331 CA ILE A 91 3.875 -2.077 4.005 1.00 24.34 C ATOM 1332 C ILE A 91 4.615 -1.792 2.699 1.00 51.24 C ATOM 1333 O ILE A 91 4.652 -0.648 2.249 1.00 34.14 O ATOM 1334 CB ILE A 91 4.839 -1.899 5.202 1.00 52.31 C ATOM 1335 CG1 ILE A 91 5.735 -3.124 5.387 1.00 51.22 C ATOM 1336 CG2 ILE A 91 4.051 -1.623 6.472 1.00 24.15 C ATOM 1337 CD1 ILE A 91 6.831 -2.928 6.413 1.00 60.05 C ATOM 0 H ILE A 91 3.654 -4.072 4.617 1.00 4.15 H new ATOM 0 HA ILE A 91 3.067 -1.352 4.109 1.00 24.34 H new ATOM 0 HB ILE A 91 5.484 -1.046 4.990 1.00 52.31 H new ATOM 0 HG12 ILE A 91 5.119 -3.972 5.685 1.00 51.22 H new ATOM 0 HG13 ILE A 91 6.188 -3.380 4.429 1.00 51.22 H new ATOM 0 HG21 ILE A 91 4.740 -1.499 7.308 1.00 24.15 H new ATOM 0 HG22 ILE A 91 3.466 -0.712 6.346 1.00 24.15 H new ATOM 0 HG23 ILE A 91 3.382 -2.459 6.674 1.00 24.15 H new ATOM 0 HD11 ILE A 91 7.425 -3.839 6.489 1.00 60.05 H new ATOM 0 HD12 ILE A 91 7.472 -2.101 6.107 1.00 60.05 H new ATOM 0 HD13 ILE A 91 6.386 -2.703 7.382 1.00 60.05 H new ATOM 1349 N ILE A 92 5.190 -2.819 2.071 1.00 35.21 N ATOM 1350 CA ILE A 92 5.863 -2.625 0.790 1.00 35.53 C ATOM 1351 C ILE A 92 4.848 -2.231 -0.281 1.00 11.03 C ATOM 1352 O ILE A 92 5.160 -1.488 -1.216 1.00 61.42 O ATOM 1353 CB ILE A 92 6.652 -3.873 0.329 1.00 73.23 C ATOM 1354 CG1 ILE A 92 5.725 -5.075 0.126 1.00 23.50 C ATOM 1355 CG2 ILE A 92 7.751 -4.198 1.332 1.00 62.34 C ATOM 1356 CD1 ILE A 92 6.423 -6.298 -0.432 1.00 41.31 C ATOM 0 H ILE A 92 5.203 -3.777 2.422 1.00 35.21 H new ATOM 0 HA ILE A 92 6.587 -1.823 0.933 1.00 35.53 H new ATOM 0 HB ILE A 92 7.112 -3.649 -0.634 1.00 73.23 H new ATOM 0 HG12 ILE A 92 5.267 -5.334 1.080 1.00 23.50 H new ATOM 0 HG13 ILE A 92 4.918 -4.790 -0.548 1.00 23.50 H new ATOM 0 HG21 ILE A 92 8.300 -5.078 0.998 1.00 62.34 H new ATOM 0 HG22 ILE A 92 8.434 -3.352 1.410 1.00 62.34 H new ATOM 0 HG23 ILE A 92 7.306 -4.397 2.307 1.00 62.34 H new ATOM 0 HD11 ILE A 92 5.702 -7.107 -0.548 1.00 41.31 H new ATOM 0 HD12 ILE A 92 6.858 -6.058 -1.402 1.00 41.31 H new ATOM 0 HD13 ILE A 92 7.212 -6.610 0.252 1.00 41.31 H new ATOM 1368 N PHE A 93 3.625 -2.720 -0.123 1.00 15.24 N ATOM 1369 CA PHE A 93 2.533 -2.350 -1.006 1.00 74.21 C ATOM 1370 C PHE A 93 2.161 -0.889 -0.768 1.00 43.24 C ATOM 1371 O PHE A 93 2.006 -0.117 -1.713 1.00 4.34 O ATOM 1372 CB PHE A 93 1.332 -3.263 -0.758 1.00 32.43 C ATOM 1373 CG PHE A 93 0.254 -3.151 -1.798 1.00 41.13 C ATOM 1374 CD1 PHE A 93 0.507 -3.496 -3.116 1.00 21.35 C ATOM 1375 CD2 PHE A 93 -1.016 -2.717 -1.453 1.00 14.23 C ATOM 1376 CE1 PHE A 93 -0.487 -3.408 -4.070 1.00 71.33 C ATOM 1377 CE2 PHE A 93 -2.012 -2.631 -2.405 1.00 41.30 C ATOM 1378 CZ PHE A 93 -1.747 -2.978 -3.714 1.00 61.13 C ATOM 0 H PHE A 93 3.366 -3.377 0.613 1.00 15.24 H new ATOM 0 HA PHE A 93 2.844 -2.468 -2.044 1.00 74.21 H new ATOM 0 HB2 PHE A 93 1.677 -4.296 -0.717 1.00 32.43 H new ATOM 0 HB3 PHE A 93 0.907 -3.030 0.218 1.00 32.43 H new ATOM 0 HD1 PHE A 93 1.492 -3.837 -3.400 1.00 21.35 H new ATOM 0 HD2 PHE A 93 -1.229 -2.444 -0.430 1.00 14.23 H new ATOM 0 HE1 PHE A 93 -0.277 -3.676 -5.095 1.00 71.33 H new ATOM 0 HE2 PHE A 93 -2.999 -2.292 -2.125 1.00 41.30 H new ATOM 0 HZ PHE A 93 -2.526 -2.913 -4.459 1.00 61.13 H new ATOM 1388 N GLU A 94 2.066 -0.520 0.506 1.00 52.53 N ATOM 1389 CA GLU A 94 1.794 0.859 0.907 1.00 11.31 C ATOM 1390 C GLU A 94 2.818 1.818 0.317 1.00 64.15 C ATOM 1391 O GLU A 94 2.455 2.808 -0.318 1.00 13.53 O ATOM 1392 CB GLU A 94 1.819 0.983 2.431 1.00 34.43 C ATOM 1393 CG GLU A 94 0.692 0.253 3.132 1.00 52.41 C ATOM 1394 CD GLU A 94 -0.643 0.928 2.912 1.00 23.35 C ATOM 1395 OE1 GLU A 94 -0.692 2.175 2.962 1.00 55.44 O ATOM 1396 OE2 GLU A 94 -1.647 0.221 2.702 1.00 74.41 O ATOM 0 H GLU A 94 2.175 -1.165 1.288 1.00 52.53 H new ATOM 0 HA GLU A 94 0.806 1.121 0.529 1.00 11.31 H new ATOM 0 HB2 GLU A 94 2.770 0.599 2.800 1.00 34.43 H new ATOM 0 HB3 GLU A 94 1.775 2.039 2.699 1.00 34.43 H new ATOM 0 HG2 GLU A 94 0.644 -0.773 2.769 1.00 52.41 H new ATOM 0 HG3 GLU A 94 0.901 0.203 4.201 1.00 52.41 H new ATOM 1403 N LEU A 95 4.094 1.522 0.532 1.00 10.30 N ATOM 1404 CA LEU A 95 5.173 2.370 0.036 1.00 44.03 C ATOM 1405 C LEU A 95 5.056 2.582 -1.468 1.00 13.15 C ATOM 1406 O LEU A 95 5.244 3.694 -1.965 1.00 65.45 O ATOM 1407 CB LEU A 95 6.533 1.759 0.376 1.00 44.33 C ATOM 1408 CG LEU A 95 6.830 1.614 1.869 1.00 71.12 C ATOM 1409 CD1 LEU A 95 8.164 0.920 2.081 1.00 72.55 C ATOM 1410 CD2 LEU A 95 6.818 2.972 2.554 1.00 72.42 C ATOM 0 H LEU A 95 4.408 0.700 1.047 1.00 10.30 H new ATOM 0 HA LEU A 95 5.089 3.340 0.526 1.00 44.03 H new ATOM 0 HB2 LEU A 95 6.596 0.774 -0.087 1.00 44.33 H new ATOM 0 HB3 LEU A 95 7.312 2.374 -0.074 1.00 44.33 H new ATOM 0 HG LEU A 95 6.048 1.000 2.316 1.00 71.12 H new ATOM 0 HD11 LEU A 95 8.359 0.825 3.149 1.00 72.55 H new ATOM 0 HD12 LEU A 95 8.135 -0.071 1.628 1.00 72.55 H new ATOM 0 HD13 LEU A 95 8.957 1.507 1.618 1.00 72.55 H new ATOM 0 HD21 LEU A 95 7.032 2.846 3.615 1.00 72.42 H new ATOM 0 HD22 LEU A 95 7.577 3.613 2.105 1.00 72.42 H new ATOM 0 HD23 LEU A 95 5.837 3.432 2.433 1.00 72.42 H new ATOM 1422 N SER A 96 4.736 1.514 -2.189 1.00 55.32 N ATOM 1423 CA SER A 96 4.544 1.599 -3.629 1.00 12.21 C ATOM 1424 C SER A 96 3.361 2.503 -3.975 1.00 31.30 C ATOM 1425 O SER A 96 3.477 3.385 -4.826 1.00 72.13 O ATOM 1426 CB SER A 96 4.327 0.202 -4.216 1.00 0.21 C ATOM 1427 OG SER A 96 5.411 -0.657 -3.897 1.00 53.10 O ATOM 0 H SER A 96 4.604 0.581 -1.799 1.00 55.32 H new ATOM 0 HA SER A 96 5.443 2.035 -4.065 1.00 12.21 H new ATOM 0 HB2 SER A 96 3.399 -0.219 -3.829 1.00 0.21 H new ATOM 0 HB3 SER A 96 4.219 0.271 -5.298 1.00 0.21 H new ATOM 0 HG SER A 96 5.333 -0.950 -2.965 1.00 53.10 H new ATOM 1433 N LEU A 97 2.238 2.295 -3.298 1.00 60.24 N ATOM 1434 CA LEU A 97 1.028 3.071 -3.559 1.00 44.14 C ATOM 1435 C LEU A 97 1.250 4.550 -3.277 1.00 24.23 C ATOM 1436 O LEU A 97 0.935 5.407 -4.098 1.00 73.43 O ATOM 1437 CB LEU A 97 -0.131 2.581 -2.688 1.00 15.21 C ATOM 1438 CG LEU A 97 -0.486 1.102 -2.820 1.00 14.24 C ATOM 1439 CD1 LEU A 97 -1.723 0.787 -1.993 1.00 63.12 C ATOM 1440 CD2 LEU A 97 -0.699 0.726 -4.279 1.00 40.31 C ATOM 0 H LEU A 97 2.138 1.595 -2.563 1.00 60.24 H new ATOM 0 HA LEU A 97 0.783 2.935 -4.612 1.00 44.14 H new ATOM 0 HB2 LEU A 97 0.112 2.785 -1.645 1.00 15.21 H new ATOM 0 HB3 LEU A 97 -1.016 3.170 -2.930 1.00 15.21 H new ATOM 0 HG LEU A 97 0.346 0.508 -2.441 1.00 14.24 H new ATOM 0 HD11 LEU A 97 -1.968 -0.270 -2.094 1.00 63.12 H new ATOM 0 HD12 LEU A 97 -1.528 1.016 -0.945 1.00 63.12 H new ATOM 0 HD13 LEU A 97 -2.560 1.389 -2.347 1.00 63.12 H new ATOM 0 HD21 LEU A 97 -0.951 -0.332 -4.349 1.00 40.31 H new ATOM 0 HD22 LEU A 97 -1.513 1.321 -4.693 1.00 40.31 H new ATOM 0 HD23 LEU A 97 0.214 0.920 -4.842 1.00 40.31 H new ATOM 1452 N ARG A 98 1.820 4.832 -2.117 1.00 1.41 N ATOM 1453 CA ARG A 98 1.924 6.200 -1.625 1.00 4.10 C ATOM 1454 C ARG A 98 2.872 7.028 -2.485 1.00 75.43 C ATOM 1455 O ARG A 98 2.614 8.202 -2.748 1.00 3.01 O ATOM 1456 CB ARG A 98 2.374 6.203 -0.163 1.00 34.35 C ATOM 1457 CG ARG A 98 1.420 5.451 0.757 1.00 74.20 C ATOM 1458 CD ARG A 98 1.925 5.411 2.190 1.00 34.31 C ATOM 1459 NE ARG A 98 1.173 4.455 3.004 1.00 33.11 N ATOM 1460 CZ ARG A 98 1.185 4.422 4.336 1.00 23.20 C ATOM 1461 NH1 ARG A 98 1.843 5.341 5.034 1.00 30.24 N ATOM 1462 NH2 ARG A 98 0.509 3.475 4.970 1.00 45.00 N ATOM 0 H ARG A 98 2.220 4.130 -1.495 1.00 1.41 H new ATOM 0 HA ARG A 98 0.938 6.659 -1.688 1.00 4.10 H new ATOM 0 HB2 ARG A 98 3.365 5.755 -0.093 1.00 34.35 H new ATOM 0 HB3 ARG A 98 2.465 7.233 0.181 1.00 34.35 H new ATOM 0 HG2 ARG A 98 0.440 5.928 0.731 1.00 74.20 H new ATOM 0 HG3 ARG A 98 1.289 4.433 0.390 1.00 74.20 H new ATOM 0 HD2 ARG A 98 2.981 5.142 2.196 1.00 34.31 H new ATOM 0 HD3 ARG A 98 1.847 6.405 2.631 1.00 34.31 H new ATOM 0 HE ARG A 98 0.600 3.766 2.518 1.00 33.11 H new ATOM 0 HH11 ARG A 98 2.348 6.084 4.551 1.00 30.24 H new ATOM 0 HH12 ARG A 98 1.844 5.304 6.053 1.00 30.24 H new ATOM 0 HH21 ARG A 98 -0.015 2.779 4.439 1.00 45.00 H new ATOM 0 HH22 ARG A 98 0.512 3.442 5.989 1.00 45.00 H new ATOM 1476 N SER A 99 3.948 6.406 -2.945 1.00 30.41 N ATOM 1477 CA SER A 99 4.939 7.099 -3.758 1.00 43.45 C ATOM 1478 C SER A 99 4.427 7.316 -5.183 1.00 23.12 C ATOM 1479 O SER A 99 4.767 8.304 -5.835 1.00 34.51 O ATOM 1480 CB SER A 99 6.243 6.299 -3.780 1.00 60.12 C ATOM 1481 OG SER A 99 6.648 5.960 -2.462 1.00 23.11 O ATOM 0 H SER A 99 4.158 5.423 -2.770 1.00 30.41 H new ATOM 0 HA SER A 99 5.125 8.077 -3.315 1.00 43.45 H new ATOM 0 HB2 SER A 99 6.109 5.392 -4.369 1.00 60.12 H new ATOM 0 HB3 SER A 99 7.025 6.882 -4.267 1.00 60.12 H new ATOM 0 HG SER A 99 6.109 5.209 -2.137 1.00 23.11 H new ATOM 1487 N LEU A 100 3.594 6.399 -5.655 1.00 72.03 N ATOM 1488 CA LEU A 100 3.066 6.475 -7.012 1.00 63.23 C ATOM 1489 C LEU A 100 1.892 7.446 -7.080 1.00 52.50 C ATOM 1490 O LEU A 100 1.657 8.091 -8.106 1.00 15.25 O ATOM 1491 CB LEU A 100 2.623 5.089 -7.477 1.00 21.44 C ATOM 1492 CG LEU A 100 2.360 4.955 -8.977 1.00 42.44 C ATOM 1493 CD1 LEU A 100 3.645 5.165 -9.762 1.00 30.31 C ATOM 1494 CD2 LEU A 100 1.751 3.596 -9.293 1.00 3.42 C ATOM 0 H LEU A 100 3.269 5.594 -5.120 1.00 72.03 H new ATOM 0 HA LEU A 100 3.855 6.840 -7.670 1.00 63.23 H new ATOM 0 HB2 LEU A 100 3.389 4.367 -7.193 1.00 21.44 H new ATOM 0 HB3 LEU A 100 1.714 4.817 -6.940 1.00 21.44 H new ATOM 0 HG LEU A 100 1.648 5.725 -9.274 1.00 42.44 H new ATOM 0 HD11 LEU A 100 3.440 5.066 -10.828 1.00 30.31 H new ATOM 0 HD12 LEU A 100 4.037 6.162 -9.559 1.00 30.31 H new ATOM 0 HD13 LEU A 100 4.380 4.418 -9.463 1.00 30.31 H new ATOM 0 HD21 LEU A 100 1.571 3.519 -10.365 1.00 3.42 H new ATOM 0 HD22 LEU A 100 2.438 2.809 -8.983 1.00 3.42 H new ATOM 0 HD23 LEU A 100 0.808 3.487 -8.758 1.00 3.42 H new