USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=22 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 87 GLN :FLIP amide:sc= -0.0922 F(o=-2.4!,f=-1.3) USER MOD Set 1.2: A 90 MET CE :methyl -179:sc= -1.2 (180deg=-1.11) USER MOD Set 2.1: A 85 SER OG : rot 28:sc= 0.855 USER MOD Set 2.2: A 86 CYS SG : rot 108:sc= 0.326 USER MOD Set 3.1: A 29 THR OG1 : rot -105:sc= 1.17 USER MOD Set 3.2: A 83 THR OG1 : rot 180:sc= 0.991 USER MOD Single : A 27 ASN : amide:sc= 0.453 K(o=0.45,f=-9.7!) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 108:sc= 1.28 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 132:sc= 0.256 USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.843 USER MOD Single : A 44 SER OG : rot 73:sc= 1.2 USER MOD Single : A 46 MET CE :methyl 150:sc= -2.16! (180deg=-2.72!) USER MOD Single : A 47 THR OG1 : rot 64:sc= 0.788 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -170:sc=-0.00216 (180deg=-0.158) USER MOD Single : A 57 SER OG : rot -64:sc= 1.08 USER MOD Single : A 58 SER OG : rot 90:sc= 1.23 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+ 166:sc= 1.19 (180deg=1.02) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN :FLIP amide:sc= -0.0346 F(o=-1.5!,f=-0.035) USER MOD Single : A 96 SER OG : rot 76:sc= 1.2 USER MOD Single : A 99 SER OG : rot 74:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 377 N ASN A 27 -1.658 -6.129 11.053 1.00 44.31 N ATOM 378 CA ASN A 27 -2.376 -7.228 10.428 1.00 44.34 C ATOM 379 C ASN A 27 -1.670 -7.621 9.129 1.00 41.42 C ATOM 380 O ASN A 27 -0.591 -7.110 8.830 1.00 12.44 O ATOM 381 CB ASN A 27 -3.824 -6.798 10.146 1.00 52.44 C ATOM 382 CG ASN A 27 -4.777 -7.969 9.989 1.00 12.42 C ATOM 383 OD1 ASN A 27 -4.973 -8.492 8.892 1.00 71.43 O ATOM 384 ND2 ASN A 27 -5.380 -8.382 11.087 1.00 4.44 N ATOM 0 HA ASN A 27 -2.390 -8.090 11.095 1.00 44.34 H new ATOM 0 HB2 ASN A 27 -4.172 -6.162 10.960 1.00 52.44 H new ATOM 0 HB3 ASN A 27 -3.847 -6.195 9.238 1.00 52.44 H new ATOM 0 HD21 ASN A 27 -6.036 -9.162 11.046 1.00 4.44 H new ATOM 0 HD22 ASN A 27 -5.190 -7.922 11.977 1.00 4.44 H new ATOM 391 N CYS A 28 -2.261 -8.536 8.378 1.00 2.13 N ATOM 392 CA CYS A 28 -1.750 -8.894 7.061 1.00 14.15 C ATOM 393 C CYS A 28 -2.720 -8.423 5.980 1.00 54.41 C ATOM 394 O CYS A 28 -2.486 -8.608 4.786 1.00 31.53 O ATOM 395 CB CYS A 28 -1.543 -10.407 6.957 1.00 74.12 C ATOM 396 SG CYS A 28 -0.351 -11.075 8.140 1.00 64.14 S ATOM 0 H CYS A 28 -3.098 -9.047 8.658 1.00 2.13 H new ATOM 0 HA CYS A 28 -0.788 -8.403 6.916 1.00 14.15 H new ATOM 0 HB2 CYS A 28 -2.502 -10.904 7.104 1.00 74.12 H new ATOM 0 HB3 CYS A 28 -1.210 -10.648 5.947 1.00 74.12 H new ATOM 0 HG CYS A 28 -0.248 -12.360 7.974 1.00 64.14 H new ATOM 402 N THR A 29 -3.817 -7.819 6.421 1.00 41.51 N ATOM 403 CA THR A 29 -4.833 -7.308 5.521 1.00 34.35 C ATOM 404 C THR A 29 -4.921 -5.788 5.617 1.00 51.21 C ATOM 405 O THR A 29 -5.183 -5.238 6.688 1.00 64.33 O ATOM 406 CB THR A 29 -6.212 -7.921 5.840 1.00 5.22 C ATOM 407 OG1 THR A 29 -6.136 -9.353 5.788 1.00 72.23 O ATOM 408 CG2 THR A 29 -7.269 -7.430 4.861 1.00 62.23 C ATOM 0 H THR A 29 -4.023 -7.672 7.409 1.00 41.51 H new ATOM 0 HA THR A 29 -4.547 -7.589 4.507 1.00 34.35 H new ATOM 0 HB THR A 29 -6.498 -7.606 6.844 1.00 5.22 H new ATOM 0 HG1 THR A 29 -6.564 -9.674 4.967 1.00 72.23 H new ATOM 0 HG21 THR A 29 -8.231 -7.878 5.109 1.00 62.23 H new ATOM 0 HG22 THR A 29 -7.347 -6.345 4.924 1.00 62.23 H new ATOM 0 HG23 THR A 29 -6.987 -7.715 3.848 1.00 62.23 H new ATOM 416 N SER A 30 -4.689 -5.117 4.499 1.00 51.24 N ATOM 417 CA SER A 30 -4.805 -3.673 4.442 1.00 21.21 C ATOM 418 C SER A 30 -6.134 -3.289 3.809 1.00 3.30 C ATOM 419 O SER A 30 -6.483 -3.780 2.734 1.00 22.41 O ATOM 420 CB SER A 30 -3.654 -3.061 3.637 1.00 52.40 C ATOM 421 OG SER A 30 -3.719 -1.644 3.651 1.00 21.22 O ATOM 0 H SER A 30 -4.419 -5.554 3.618 1.00 51.24 H new ATOM 0 HA SER A 30 -4.757 -3.285 5.459 1.00 21.21 H new ATOM 0 HB2 SER A 30 -2.701 -3.389 4.052 1.00 52.40 H new ATOM 0 HB3 SER A 30 -3.694 -3.420 2.609 1.00 52.40 H new ATOM 0 HG SER A 30 -3.006 -1.289 4.223 1.00 21.22 H new ATOM 427 N LYS A 31 -6.884 -2.435 4.483 1.00 61.30 N ATOM 428 CA LYS A 31 -8.126 -1.938 3.931 1.00 42.12 C ATOM 429 C LYS A 31 -7.965 -0.485 3.541 1.00 5.33 C ATOM 430 O LYS A 31 -7.451 0.324 4.316 1.00 43.10 O ATOM 431 CB LYS A 31 -9.277 -2.083 4.916 1.00 65.41 C ATOM 432 CG LYS A 31 -9.508 -3.505 5.379 1.00 31.52 C ATOM 433 CD LYS A 31 -10.867 -3.639 6.029 1.00 62.55 C ATOM 434 CE LYS A 31 -11.002 -4.944 6.799 1.00 34.22 C ATOM 435 NZ LYS A 31 -12.354 -5.089 7.397 1.00 31.43 N ATOM 0 H LYS A 31 -6.654 -2.074 5.409 1.00 61.30 H new ATOM 0 HA LYS A 31 -8.364 -2.534 3.050 1.00 42.12 H new ATOM 0 HB2 LYS A 31 -9.081 -1.455 5.785 1.00 65.41 H new ATOM 0 HB3 LYS A 31 -10.190 -1.709 4.452 1.00 65.41 H new ATOM 0 HG2 LYS A 31 -9.436 -4.186 4.531 1.00 31.52 H new ATOM 0 HG3 LYS A 31 -8.731 -3.794 6.086 1.00 31.52 H new ATOM 0 HD2 LYS A 31 -11.030 -2.800 6.705 1.00 62.55 H new ATOM 0 HD3 LYS A 31 -11.642 -3.587 5.264 1.00 62.55 H new ATOM 0 HE2 LYS A 31 -10.807 -5.783 6.131 1.00 34.22 H new ATOM 0 HE3 LYS A 31 -10.249 -4.982 7.586 1.00 34.22 H new ATOM 0 HZ1 LYS A 31 -12.410 -5.990 7.914 1.00 31.43 H new ATOM 0 HZ2 LYS A 31 -12.530 -4.301 8.053 1.00 31.43 H new ATOM 0 HZ3 LYS A 31 -13.070 -5.078 6.643 1.00 31.43 H new ATOM 449 N PHE A 32 -8.422 -0.159 2.355 1.00 3.00 N ATOM 450 CA PHE A 32 -8.224 1.169 1.803 1.00 75.31 C ATOM 451 C PHE A 32 -9.405 1.567 0.933 1.00 71.30 C ATOM 452 O PHE A 32 -9.843 0.800 0.078 1.00 12.42 O ATOM 453 CB PHE A 32 -6.927 1.206 0.983 1.00 31.33 C ATOM 454 CG PHE A 32 -6.583 2.566 0.440 1.00 14.33 C ATOM 455 CD1 PHE A 32 -5.917 3.491 1.228 1.00 25.24 C ATOM 456 CD2 PHE A 32 -6.919 2.916 -0.861 1.00 30.31 C ATOM 457 CE1 PHE A 32 -5.595 4.739 0.731 1.00 65.03 C ATOM 458 CE2 PHE A 32 -6.598 4.163 -1.361 1.00 63.23 C ATOM 459 CZ PHE A 32 -5.935 5.076 -0.563 1.00 45.22 C ATOM 0 H PHE A 32 -8.937 -0.796 1.747 1.00 3.00 H new ATOM 0 HA PHE A 32 -8.147 1.881 2.625 1.00 75.31 H new ATOM 0 HB2 PHE A 32 -6.105 0.857 1.608 1.00 31.33 H new ATOM 0 HB3 PHE A 32 -7.015 0.506 0.152 1.00 31.33 H new ATOM 0 HD1 PHE A 32 -5.647 3.233 2.241 1.00 25.24 H new ATOM 0 HD2 PHE A 32 -7.437 2.206 -1.489 1.00 30.31 H new ATOM 0 HE1 PHE A 32 -5.077 5.451 1.356 1.00 65.03 H new ATOM 0 HE2 PHE A 32 -6.865 4.424 -2.374 1.00 63.23 H new ATOM 0 HZ PHE A 32 -5.683 6.052 -0.952 1.00 45.22 H new ATOM 469 N SER A 33 -9.927 2.760 1.169 1.00 54.11 N ATOM 470 CA SER A 33 -10.988 3.294 0.342 1.00 64.32 C ATOM 471 C SER A 33 -10.701 4.749 -0.003 1.00 5.43 C ATOM 472 O SER A 33 -10.356 5.547 0.868 1.00 21.35 O ATOM 473 CB SER A 33 -12.346 3.150 1.036 1.00 32.44 C ATOM 474 OG SER A 33 -12.368 3.799 2.300 1.00 52.24 O ATOM 0 H SER A 33 -9.631 3.374 1.928 1.00 54.11 H new ATOM 0 HA SER A 33 -11.029 2.722 -0.585 1.00 64.32 H new ATOM 0 HB2 SER A 33 -13.125 3.569 0.399 1.00 32.44 H new ATOM 0 HB3 SER A 33 -12.576 2.093 1.167 1.00 32.44 H new ATOM 0 HG SER A 33 -13.170 4.358 2.367 1.00 52.24 H new ATOM 480 N ARG A 34 -10.814 5.078 -1.278 1.00 11.23 N ATOM 481 CA ARG A 34 -10.572 6.436 -1.743 1.00 63.11 C ATOM 482 C ARG A 34 -11.729 6.900 -2.620 1.00 60.24 C ATOM 483 O ARG A 34 -12.302 6.113 -3.374 1.00 22.31 O ATOM 484 CB ARG A 34 -9.240 6.513 -2.507 1.00 2.11 C ATOM 485 CG ARG A 34 -8.947 7.875 -3.129 1.00 12.43 C ATOM 486 CD ARG A 34 -8.876 8.981 -2.086 1.00 10.53 C ATOM 487 NE ARG A 34 -8.848 10.305 -2.709 1.00 11.22 N ATOM 488 CZ ARG A 34 -9.230 11.434 -2.105 1.00 73.41 C ATOM 489 NH1 ARG A 34 -9.601 11.425 -0.829 1.00 2.04 N ATOM 490 NH2 ARG A 34 -9.221 12.579 -2.775 1.00 2.11 N ATOM 0 H ARG A 34 -11.073 4.421 -2.014 1.00 11.23 H new ATOM 0 HA ARG A 34 -10.504 7.099 -0.880 1.00 63.11 H new ATOM 0 HB2 ARG A 34 -8.429 6.257 -1.825 1.00 2.11 H new ATOM 0 HB3 ARG A 34 -9.244 5.760 -3.295 1.00 2.11 H new ATOM 0 HG2 ARG A 34 -8.003 7.829 -3.672 1.00 12.43 H new ATOM 0 HG3 ARG A 34 -9.722 8.114 -3.857 1.00 12.43 H new ATOM 0 HD2 ARG A 34 -9.735 8.910 -1.419 1.00 10.53 H new ATOM 0 HD3 ARG A 34 -7.985 8.847 -1.473 1.00 10.53 H new ATOM 0 HE ARG A 34 -8.514 10.370 -3.670 1.00 11.22 H new ATOM 0 HH11 ARG A 34 -9.596 10.551 -0.302 1.00 2.04 H new ATOM 0 HH12 ARG A 34 -9.891 12.292 -0.376 1.00 2.04 H new ATOM 0 HH21 ARG A 34 -8.923 12.597 -3.750 1.00 2.11 H new ATOM 0 HH22 ARG A 34 -9.512 13.441 -2.315 1.00 2.11 H new ATOM 504 N PHE A 35 -12.077 8.172 -2.502 1.00 42.41 N ATOM 505 CA PHE A 35 -13.179 8.732 -3.263 1.00 60.02 C ATOM 506 C PHE A 35 -12.688 9.248 -4.606 1.00 64.31 C ATOM 507 O PHE A 35 -11.698 9.980 -4.675 1.00 22.22 O ATOM 508 CB PHE A 35 -13.843 9.862 -2.480 1.00 12.53 C ATOM 509 CG PHE A 35 -14.246 9.462 -1.089 1.00 40.02 C ATOM 510 CD1 PHE A 35 -15.441 8.802 -0.862 1.00 12.20 C ATOM 511 CD2 PHE A 35 -13.422 9.738 -0.011 1.00 25.40 C ATOM 512 CE1 PHE A 35 -15.809 8.426 0.416 1.00 43.34 C ATOM 513 CE2 PHE A 35 -13.782 9.363 1.269 1.00 51.34 C ATOM 514 CZ PHE A 35 -14.977 8.706 1.482 1.00 32.44 C ATOM 0 H PHE A 35 -11.610 8.836 -1.885 1.00 42.41 H new ATOM 0 HA PHE A 35 -13.913 7.945 -3.437 1.00 60.02 H new ATOM 0 HB2 PHE A 35 -13.158 10.708 -2.424 1.00 12.53 H new ATOM 0 HB3 PHE A 35 -14.725 10.202 -3.023 1.00 12.53 H new ATOM 0 HD1 PHE A 35 -16.093 8.578 -1.693 1.00 12.20 H new ATOM 0 HD2 PHE A 35 -12.486 10.253 -0.173 1.00 25.40 H new ATOM 0 HE1 PHE A 35 -16.746 7.914 0.581 1.00 43.34 H new ATOM 0 HE2 PHE A 35 -13.130 9.583 2.101 1.00 51.34 H new ATOM 0 HZ PHE A 35 -15.261 8.411 2.481 1.00 32.44 H new ATOM 524 N PHE A 36 -13.374 8.854 -5.665 1.00 24.42 N ATOM 525 CA PHE A 36 -13.019 9.276 -7.010 1.00 14.53 C ATOM 526 C PHE A 36 -14.209 9.948 -7.675 1.00 75.31 C ATOM 527 O PHE A 36 -15.315 9.925 -7.137 1.00 4.42 O ATOM 528 CB PHE A 36 -12.540 8.085 -7.842 1.00 10.40 C ATOM 529 CG PHE A 36 -11.300 7.445 -7.288 1.00 14.41 C ATOM 530 CD1 PHE A 36 -10.063 8.047 -7.453 1.00 13.52 C ATOM 531 CD2 PHE A 36 -11.373 6.258 -6.582 1.00 65.13 C ATOM 532 CE1 PHE A 36 -8.922 7.473 -6.927 1.00 24.04 C ATOM 533 CE2 PHE A 36 -10.236 5.682 -6.049 1.00 3.24 C ATOM 534 CZ PHE A 36 -9.009 6.290 -6.224 1.00 51.31 C ATOM 0 H PHE A 36 -14.186 8.238 -5.619 1.00 24.42 H new ATOM 0 HA PHE A 36 -12.201 9.994 -6.946 1.00 14.53 H new ATOM 0 HB2 PHE A 36 -13.335 7.341 -7.893 1.00 10.40 H new ATOM 0 HB3 PHE A 36 -12.347 8.416 -8.863 1.00 10.40 H new ATOM 0 HD1 PHE A 36 -9.990 8.976 -7.999 1.00 13.52 H new ATOM 0 HD2 PHE A 36 -12.330 5.776 -6.446 1.00 65.13 H new ATOM 0 HE1 PHE A 36 -7.963 7.950 -7.066 1.00 24.04 H new ATOM 0 HE2 PHE A 36 -10.307 4.757 -5.496 1.00 3.24 H new ATOM 0 HZ PHE A 36 -8.119 5.840 -5.811 1.00 51.31 H new ATOM 544 N ALA A 37 -13.977 10.552 -8.833 1.00 15.03 N ATOM 545 CA ALA A 37 -15.018 11.292 -9.534 1.00 32.24 C ATOM 546 C ALA A 37 -16.137 10.373 -10.006 1.00 3.53 C ATOM 547 O ALA A 37 -17.293 10.533 -9.621 1.00 43.01 O ATOM 548 CB ALA A 37 -14.422 12.051 -10.710 1.00 32.43 C ATOM 0 H ALA A 37 -13.074 10.544 -9.308 1.00 15.03 H new ATOM 0 HA ALA A 37 -15.451 12.006 -8.833 1.00 32.24 H new ATOM 0 HB1 ALA A 37 -15.210 12.600 -11.226 1.00 32.43 H new ATOM 0 HB2 ALA A 37 -13.670 12.751 -10.347 1.00 32.43 H new ATOM 0 HB3 ALA A 37 -13.959 11.346 -11.401 1.00 32.43 H new ATOM 554 N THR A 38 -15.787 9.404 -10.831 1.00 52.42 N ATOM 555 CA THR A 38 -16.773 8.505 -11.400 1.00 50.44 C ATOM 556 C THR A 38 -16.432 7.061 -11.077 1.00 14.32 C ATOM 557 O THR A 38 -15.319 6.765 -10.638 1.00 33.34 O ATOM 558 CB THR A 38 -16.841 8.671 -12.928 1.00 25.33 C ATOM 559 OG1 THR A 38 -15.538 8.468 -13.487 1.00 12.40 O ATOM 560 CG2 THR A 38 -17.353 10.051 -13.310 1.00 0.54 C ATOM 0 H THR A 38 -14.827 9.219 -11.122 1.00 52.42 H new ATOM 0 HA THR A 38 -17.740 8.756 -10.964 1.00 50.44 H new ATOM 0 HB THR A 38 -17.536 7.930 -13.324 1.00 25.33 H new ATOM 0 HG1 THR A 38 -15.498 8.871 -14.379 1.00 12.40 H new ATOM 0 HG21 THR A 38 -17.390 10.138 -14.396 1.00 0.54 H new ATOM 0 HG22 THR A 38 -18.353 10.194 -12.900 1.00 0.54 H new ATOM 0 HG23 THR A 38 -16.684 10.812 -12.908 1.00 0.54 H new ATOM 568 N ARG A 39 -17.382 6.159 -11.303 1.00 14.11 N ATOM 569 CA ARG A 39 -17.135 4.737 -11.106 1.00 61.33 C ATOM 570 C ARG A 39 -16.090 4.253 -12.104 1.00 61.24 C ATOM 571 O ARG A 39 -15.402 3.264 -11.872 1.00 14.40 O ATOM 572 CB ARG A 39 -18.446 3.938 -11.210 1.00 63.23 C ATOM 573 CG ARG A 39 -19.245 4.161 -12.492 1.00 52.11 C ATOM 574 CD ARG A 39 -18.736 3.334 -13.669 1.00 14.54 C ATOM 575 NE ARG A 39 -19.596 3.488 -14.843 1.00 23.12 N ATOM 576 CZ ARG A 39 -19.297 3.048 -16.068 1.00 33.41 C ATOM 577 NH1 ARG A 39 -18.165 2.393 -16.297 1.00 31.53 N ATOM 578 NH2 ARG A 39 -20.154 3.242 -17.062 1.00 71.14 N ATOM 0 H ARG A 39 -18.324 6.387 -11.621 1.00 14.11 H new ATOM 0 HA ARG A 39 -16.742 4.574 -10.102 1.00 61.33 H new ATOM 0 HB2 ARG A 39 -18.213 2.876 -11.126 1.00 63.23 H new ATOM 0 HB3 ARG A 39 -19.077 4.194 -10.359 1.00 63.23 H new ATOM 0 HG2 ARG A 39 -20.291 3.914 -12.308 1.00 52.11 H new ATOM 0 HG3 ARG A 39 -19.208 5.218 -12.756 1.00 52.11 H new ATOM 0 HD2 ARG A 39 -17.720 3.640 -13.918 1.00 14.54 H new ATOM 0 HD3 ARG A 39 -18.691 2.283 -13.384 1.00 14.54 H new ATOM 0 HE ARG A 39 -20.488 3.966 -14.717 1.00 23.12 H new ATOM 0 HH11 ARG A 39 -17.512 2.221 -15.533 1.00 31.53 H new ATOM 0 HH12 ARG A 39 -17.948 2.062 -17.237 1.00 31.53 H new ATOM 0 HH21 ARG A 39 -21.036 3.725 -16.888 1.00 71.14 H new ATOM 0 HH22 ARG A 39 -19.931 2.908 -18.000 1.00 71.14 H new ATOM 592 N GLU A 40 -15.960 4.995 -13.196 1.00 70.00 N ATOM 593 CA GLU A 40 -14.936 4.742 -14.197 1.00 22.42 C ATOM 594 C GLU A 40 -13.554 4.906 -13.587 1.00 50.23 C ATOM 595 O GLU A 40 -12.663 4.075 -13.781 1.00 22.13 O ATOM 596 CB GLU A 40 -15.097 5.730 -15.340 1.00 33.13 C ATOM 597 CG GLU A 40 -16.460 5.677 -16.004 1.00 24.32 C ATOM 598 CD GLU A 40 -16.647 6.765 -17.037 1.00 14.13 C ATOM 599 OE1 GLU A 40 -16.079 6.644 -18.142 1.00 44.13 O ATOM 600 OE2 GLU A 40 -17.357 7.751 -16.745 1.00 2.33 O ATOM 0 H GLU A 40 -16.563 5.789 -13.411 1.00 70.00 H new ATOM 0 HA GLU A 40 -15.045 3.722 -14.566 1.00 22.42 H new ATOM 0 HB2 GLU A 40 -14.925 6.738 -14.964 1.00 33.13 H new ATOM 0 HB3 GLU A 40 -14.330 5.534 -16.089 1.00 33.13 H new ATOM 0 HG2 GLU A 40 -16.591 4.704 -16.478 1.00 24.32 H new ATOM 0 HG3 GLU A 40 -17.235 5.767 -15.242 1.00 24.32 H new ATOM 607 N GLU A 41 -13.393 5.996 -12.850 1.00 14.33 N ATOM 608 CA GLU A 41 -12.153 6.288 -12.143 1.00 74.55 C ATOM 609 C GLU A 41 -11.836 5.185 -11.141 1.00 63.43 C ATOM 610 O GLU A 41 -10.674 4.909 -10.851 1.00 0.05 O ATOM 611 CB GLU A 41 -12.273 7.634 -11.425 1.00 40.13 C ATOM 612 CG GLU A 41 -12.422 8.812 -12.373 1.00 24.04 C ATOM 613 CD GLU A 41 -11.152 9.113 -13.141 1.00 3.34 C ATOM 614 OE1 GLU A 41 -10.565 8.183 -13.729 1.00 34.43 O ATOM 615 OE2 GLU A 41 -10.724 10.287 -13.144 1.00 63.03 O ATOM 0 H GLU A 41 -14.118 6.703 -12.725 1.00 14.33 H new ATOM 0 HA GLU A 41 -11.339 6.339 -12.867 1.00 74.55 H new ATOM 0 HB2 GLU A 41 -13.133 7.605 -10.755 1.00 40.13 H new ATOM 0 HB3 GLU A 41 -11.390 7.786 -10.804 1.00 40.13 H new ATOM 0 HG2 GLU A 41 -13.227 8.605 -13.078 1.00 24.04 H new ATOM 0 HG3 GLU A 41 -12.715 9.695 -11.805 1.00 24.04 H new ATOM 622 N ALA A 42 -12.881 4.544 -10.636 1.00 64.21 N ATOM 623 CA ALA A 42 -12.724 3.477 -9.656 1.00 3.11 C ATOM 624 C ALA A 42 -12.238 2.198 -10.328 1.00 54.55 C ATOM 625 O ALA A 42 -11.346 1.516 -9.820 1.00 42.50 O ATOM 626 CB ALA A 42 -14.030 3.235 -8.910 1.00 12.44 C ATOM 0 H ALA A 42 -13.849 4.744 -10.889 1.00 64.21 H new ATOM 0 HA ALA A 42 -11.972 3.786 -8.930 1.00 3.11 H new ATOM 0 HB1 ALA A 42 -13.891 2.435 -8.183 1.00 12.44 H new ATOM 0 HB2 ALA A 42 -14.328 4.147 -8.393 1.00 12.44 H new ATOM 0 HB3 ALA A 42 -14.807 2.950 -9.619 1.00 12.44 H new ATOM 632 N GLU A 43 -12.822 1.890 -11.480 1.00 0.12 N ATOM 633 CA GLU A 43 -12.409 0.738 -12.274 1.00 12.52 C ATOM 634 C GLU A 43 -10.966 0.916 -12.725 1.00 22.41 C ATOM 635 O GLU A 43 -10.170 -0.027 -12.709 1.00 62.53 O ATOM 636 CB GLU A 43 -13.310 0.583 -13.499 1.00 61.03 C ATOM 637 CG GLU A 43 -14.790 0.500 -13.170 1.00 42.04 C ATOM 638 CD GLU A 43 -15.650 0.450 -14.414 1.00 5.21 C ATOM 639 OE1 GLU A 43 -15.851 -0.659 -14.956 1.00 53.54 O ATOM 640 OE2 GLU A 43 -16.121 1.518 -14.860 1.00 71.13 O ATOM 0 H GLU A 43 -13.588 2.426 -11.888 1.00 0.12 H new ATOM 0 HA GLU A 43 -12.493 -0.158 -11.658 1.00 12.52 H new ATOM 0 HB2 GLU A 43 -13.144 1.427 -14.169 1.00 61.03 H new ATOM 0 HB3 GLU A 43 -13.018 -0.316 -14.041 1.00 61.03 H new ATOM 0 HG2 GLU A 43 -14.977 -0.387 -12.565 1.00 42.04 H new ATOM 0 HG3 GLU A 43 -15.075 1.362 -12.567 1.00 42.04 H new ATOM 647 N SER A 44 -10.640 2.144 -13.113 1.00 11.30 N ATOM 648 CA SER A 44 -9.295 2.486 -13.548 1.00 63.13 C ATOM 649 C SER A 44 -8.305 2.327 -12.397 1.00 25.22 C ATOM 650 O SER A 44 -7.161 1.917 -12.600 1.00 43.25 O ATOM 651 CB SER A 44 -9.268 3.925 -14.071 1.00 33.32 C ATOM 652 OG SER A 44 -10.232 4.113 -15.098 1.00 30.03 O ATOM 0 H SER A 44 -11.297 2.924 -13.134 1.00 11.30 H new ATOM 0 HA SER A 44 -9.003 1.809 -14.351 1.00 63.13 H new ATOM 0 HB2 SER A 44 -9.465 4.617 -13.252 1.00 33.32 H new ATOM 0 HB3 SER A 44 -8.274 4.158 -14.453 1.00 33.32 H new ATOM 0 HG SER A 44 -11.130 4.126 -14.705 1.00 30.03 H new ATOM 658 N PHE A 45 -8.758 2.632 -11.187 1.00 63.42 N ATOM 659 CA PHE A 45 -7.917 2.516 -10.012 1.00 51.11 C ATOM 660 C PHE A 45 -7.644 1.047 -9.712 1.00 25.52 C ATOM 661 O PHE A 45 -6.497 0.641 -9.578 1.00 5.52 O ATOM 662 CB PHE A 45 -8.583 3.202 -8.814 1.00 30.23 C ATOM 663 CG PHE A 45 -7.698 3.314 -7.603 1.00 13.24 C ATOM 664 CD1 PHE A 45 -6.477 3.966 -7.680 1.00 32.35 C ATOM 665 CD2 PHE A 45 -8.091 2.775 -6.390 1.00 44.12 C ATOM 666 CE1 PHE A 45 -5.664 4.076 -6.567 1.00 74.42 C ATOM 667 CE2 PHE A 45 -7.285 2.883 -5.274 1.00 4.23 C ATOM 668 CZ PHE A 45 -6.069 3.535 -5.362 1.00 0.50 C ATOM 0 H PHE A 45 -9.705 2.961 -10.998 1.00 63.42 H new ATOM 0 HA PHE A 45 -6.966 3.013 -10.203 1.00 51.11 H new ATOM 0 HB2 PHE A 45 -8.902 4.201 -9.112 1.00 30.23 H new ATOM 0 HB3 PHE A 45 -9.482 2.647 -8.544 1.00 30.23 H new ATOM 0 HD1 PHE A 45 -6.157 4.393 -8.619 1.00 32.35 H new ATOM 0 HD2 PHE A 45 -9.039 2.264 -6.316 1.00 44.12 H new ATOM 0 HE1 PHE A 45 -4.714 4.584 -6.640 1.00 74.42 H new ATOM 0 HE2 PHE A 45 -7.604 2.459 -4.334 1.00 4.23 H new ATOM 0 HZ PHE A 45 -5.437 3.621 -4.491 1.00 0.50 H new ATOM 678 N MET A 46 -8.703 0.245 -9.660 1.00 11.00 N ATOM 679 CA MET A 46 -8.580 -1.183 -9.353 1.00 14.30 C ATOM 680 C MET A 46 -7.629 -1.883 -10.326 1.00 10.34 C ATOM 681 O MET A 46 -6.977 -2.866 -9.972 1.00 31.41 O ATOM 682 CB MET A 46 -9.961 -1.850 -9.381 1.00 5.25 C ATOM 683 CG MET A 46 -9.939 -3.332 -9.028 1.00 24.02 C ATOM 684 SD MET A 46 -9.165 -3.659 -7.431 1.00 71.14 S ATOM 685 CE MET A 46 -10.164 -2.644 -6.345 1.00 32.03 C ATOM 0 H MET A 46 -9.660 0.557 -9.826 1.00 11.00 H new ATOM 0 HA MET A 46 -8.160 -1.278 -8.352 1.00 14.30 H new ATOM 0 HB2 MET A 46 -10.619 -1.330 -8.684 1.00 5.25 H new ATOM 0 HB3 MET A 46 -10.391 -1.730 -10.375 1.00 5.25 H new ATOM 0 HG2 MET A 46 -10.960 -3.713 -9.017 1.00 24.02 H new ATOM 0 HG3 MET A 46 -9.404 -3.878 -9.805 1.00 24.02 H new ATOM 0 HE1 MET A 46 -10.200 -3.097 -5.354 1.00 32.03 H new ATOM 0 HE2 MET A 46 -9.727 -1.648 -6.273 1.00 32.03 H new ATOM 0 HE3 MET A 46 -11.175 -2.568 -6.746 1.00 32.03 H new ATOM 695 N THR A 47 -7.544 -1.357 -11.542 1.00 63.54 N ATOM 696 CA THR A 47 -6.647 -1.895 -12.556 1.00 10.45 C ATOM 697 C THR A 47 -5.192 -1.911 -12.065 1.00 44.32 C ATOM 698 O THR A 47 -4.514 -2.936 -12.132 1.00 53.13 O ATOM 699 CB THR A 47 -6.742 -1.073 -13.860 1.00 74.22 C ATOM 700 OG1 THR A 47 -8.088 -1.099 -14.360 1.00 54.42 O ATOM 701 CG2 THR A 47 -5.790 -1.611 -14.924 1.00 13.53 C ATOM 0 H THR A 47 -8.090 -0.553 -11.851 1.00 63.54 H new ATOM 0 HA THR A 47 -6.958 -2.921 -12.753 1.00 10.45 H new ATOM 0 HB THR A 47 -6.456 -0.046 -13.631 1.00 74.22 H new ATOM 0 HG1 THR A 47 -8.684 -0.662 -13.717 1.00 54.42 H new ATOM 0 HG21 THR A 47 -5.880 -1.011 -15.830 1.00 13.53 H new ATOM 0 HG22 THR A 47 -4.766 -1.559 -14.555 1.00 13.53 H new ATOM 0 HG23 THR A 47 -6.043 -2.647 -15.148 1.00 13.53 H new ATOM 709 N LYS A 48 -4.730 -0.780 -11.537 1.00 10.42 N ATOM 710 CA LYS A 48 -3.343 -0.661 -11.097 1.00 20.11 C ATOM 711 C LYS A 48 -3.102 -1.440 -9.807 1.00 72.23 C ATOM 712 O LYS A 48 -1.985 -1.880 -9.547 1.00 72.51 O ATOM 713 CB LYS A 48 -2.929 0.804 -10.948 1.00 43.52 C ATOM 714 CG LYS A 48 -3.833 1.608 -10.045 1.00 50.55 C ATOM 715 CD LYS A 48 -3.504 3.084 -10.102 1.00 71.41 C ATOM 716 CE LYS A 48 -2.176 3.397 -9.438 1.00 62.11 C ATOM 717 NZ LYS A 48 -1.828 4.834 -9.567 1.00 71.11 N ATOM 0 H LYS A 48 -5.291 0.061 -11.404 1.00 10.42 H new ATOM 0 HA LYS A 48 -2.714 -1.102 -11.870 1.00 20.11 H new ATOM 0 HB2 LYS A 48 -1.912 0.846 -10.558 1.00 43.52 H new ATOM 0 HB3 LYS A 48 -2.911 1.268 -11.934 1.00 43.52 H new ATOM 0 HG2 LYS A 48 -4.872 1.454 -10.338 1.00 50.55 H new ATOM 0 HG3 LYS A 48 -3.735 1.252 -9.020 1.00 50.55 H new ATOM 0 HD2 LYS A 48 -3.475 3.409 -11.142 1.00 71.41 H new ATOM 0 HD3 LYS A 48 -4.296 3.651 -9.613 1.00 71.41 H new ATOM 0 HE2 LYS A 48 -2.223 3.126 -8.383 1.00 62.11 H new ATOM 0 HE3 LYS A 48 -1.391 2.790 -9.888 1.00 62.11 H new ATOM 0 HZ1 LYS A 48 -0.915 5.013 -9.102 1.00 71.11 H new ATOM 0 HZ2 LYS A 48 -1.759 5.086 -10.574 1.00 71.11 H new ATOM 0 HZ3 LYS A 48 -2.565 5.412 -9.115 1.00 71.11 H new ATOM 731 N LEU A 49 -4.147 -1.608 -9.001 1.00 1.02 N ATOM 732 CA LEU A 49 -4.047 -2.423 -7.788 1.00 73.41 C ATOM 733 C LEU A 49 -3.678 -3.860 -8.141 1.00 72.01 C ATOM 734 O LEU A 49 -2.861 -4.478 -7.465 1.00 43.45 O ATOM 735 CB LEU A 49 -5.362 -2.416 -6.991 1.00 24.34 C ATOM 736 CG LEU A 49 -5.588 -1.222 -6.055 1.00 62.11 C ATOM 737 CD1 LEU A 49 -4.463 -1.104 -5.051 1.00 54.21 C ATOM 738 CD2 LEU A 49 -5.730 0.067 -6.834 1.00 73.33 C ATOM 0 H LEU A 49 -5.066 -1.196 -9.161 1.00 1.02 H new ATOM 0 HA LEU A 49 -3.265 -1.986 -7.167 1.00 73.41 H new ATOM 0 HB2 LEU A 49 -6.190 -2.456 -7.699 1.00 24.34 H new ATOM 0 HB3 LEU A 49 -5.406 -3.329 -6.397 1.00 24.34 H new ATOM 0 HG LEU A 49 -6.519 -1.399 -5.516 1.00 62.11 H new ATOM 0 HD11 LEU A 49 -4.646 -0.250 -4.399 1.00 54.21 H new ATOM 0 HD12 LEU A 49 -4.412 -2.014 -4.453 1.00 54.21 H new ATOM 0 HD13 LEU A 49 -3.519 -0.963 -5.577 1.00 54.21 H new ATOM 0 HD21 LEU A 49 -5.889 0.894 -6.142 1.00 73.33 H new ATOM 0 HD22 LEU A 49 -4.822 0.245 -7.411 1.00 73.33 H new ATOM 0 HD23 LEU A 49 -6.581 -0.009 -7.511 1.00 73.33 H new ATOM 750 N LYS A 50 -4.282 -4.385 -9.204 1.00 73.31 N ATOM 751 CA LYS A 50 -3.965 -5.730 -9.676 1.00 23.43 C ATOM 752 C LYS A 50 -2.513 -5.819 -10.131 1.00 2.32 C ATOM 753 O LYS A 50 -1.820 -6.797 -9.851 1.00 33.21 O ATOM 754 CB LYS A 50 -4.901 -6.137 -10.815 1.00 23.53 C ATOM 755 CG LYS A 50 -6.019 -7.075 -10.380 1.00 40.23 C ATOM 756 CD LYS A 50 -6.921 -6.444 -9.335 1.00 44.32 C ATOM 757 CE LYS A 50 -7.937 -7.444 -8.810 1.00 5.13 C ATOM 758 NZ LYS A 50 -8.795 -7.988 -9.894 1.00 45.21 N ATOM 0 H LYS A 50 -4.992 -3.901 -9.754 1.00 73.31 H new ATOM 0 HA LYS A 50 -4.108 -6.419 -8.844 1.00 23.43 H new ATOM 0 HB2 LYS A 50 -5.340 -5.240 -11.251 1.00 23.53 H new ATOM 0 HB3 LYS A 50 -4.317 -6.620 -11.599 1.00 23.53 H new ATOM 0 HG2 LYS A 50 -6.614 -7.357 -11.249 1.00 40.23 H new ATOM 0 HG3 LYS A 50 -5.587 -7.992 -9.979 1.00 40.23 H new ATOM 0 HD2 LYS A 50 -6.317 -6.068 -8.509 1.00 44.32 H new ATOM 0 HD3 LYS A 50 -7.439 -5.588 -9.767 1.00 44.32 H new ATOM 0 HE2 LYS A 50 -7.416 -8.263 -8.314 1.00 5.13 H new ATOM 0 HE3 LYS A 50 -8.564 -6.963 -8.059 1.00 5.13 H new ATOM 0 HZ1 LYS A 50 -9.578 -8.531 -9.477 1.00 45.21 H new ATOM 0 HZ2 LYS A 50 -9.180 -7.204 -10.459 1.00 45.21 H new ATOM 0 HZ3 LYS A 50 -8.229 -8.610 -10.506 1.00 45.21 H new ATOM 772 N GLU A 51 -2.062 -4.781 -10.821 1.00 54.42 N ATOM 773 CA GLU A 51 -0.684 -4.702 -11.283 1.00 24.44 C ATOM 774 C GLU A 51 0.275 -4.714 -10.096 1.00 31.35 C ATOM 775 O GLU A 51 1.239 -5.479 -10.059 1.00 14.44 O ATOM 776 CB GLU A 51 -0.485 -3.430 -12.095 1.00 13.21 C ATOM 777 CG GLU A 51 -1.455 -3.300 -13.250 1.00 1.11 C ATOM 778 CD GLU A 51 -1.138 -4.237 -14.392 1.00 52.22 C ATOM 779 OE1 GLU A 51 -0.353 -3.840 -15.280 1.00 51.40 O ATOM 780 OE2 GLU A 51 -1.672 -5.367 -14.409 1.00 51.13 O ATOM 0 H GLU A 51 -2.635 -3.976 -11.075 1.00 54.42 H new ATOM 0 HA GLU A 51 -0.474 -5.567 -11.912 1.00 24.44 H new ATOM 0 HB2 GLU A 51 -0.595 -2.567 -11.438 1.00 13.21 H new ATOM 0 HB3 GLU A 51 0.534 -3.409 -12.481 1.00 13.21 H new ATOM 0 HG2 GLU A 51 -2.466 -3.499 -12.893 1.00 1.11 H new ATOM 0 HG3 GLU A 51 -1.442 -2.273 -13.615 1.00 1.11 H new ATOM 787 N LEU A 52 -0.028 -3.874 -9.117 1.00 54.04 N ATOM 788 CA LEU A 52 0.803 -3.723 -7.934 1.00 20.21 C ATOM 789 C LEU A 52 0.792 -4.983 -7.072 1.00 51.43 C ATOM 790 O LEU A 52 1.835 -5.413 -6.585 1.00 72.44 O ATOM 791 CB LEU A 52 0.319 -2.517 -7.124 1.00 24.00 C ATOM 792 CG LEU A 52 0.578 -1.157 -7.772 1.00 44.41 C ATOM 793 CD1 LEU A 52 0.017 -0.042 -6.907 1.00 74.02 C ATOM 794 CD2 LEU A 52 2.068 -0.953 -8.009 1.00 62.33 C ATOM 0 H LEU A 52 -0.856 -3.279 -9.121 1.00 54.04 H new ATOM 0 HA LEU A 52 1.832 -3.560 -8.256 1.00 20.21 H new ATOM 0 HB2 LEU A 52 -0.752 -2.622 -6.950 1.00 24.00 H new ATOM 0 HB3 LEU A 52 0.804 -2.536 -6.148 1.00 24.00 H new ATOM 0 HG LEU A 52 0.072 -1.132 -8.737 1.00 44.41 H new ATOM 0 HD11 LEU A 52 0.210 0.920 -7.383 1.00 74.02 H new ATOM 0 HD12 LEU A 52 -1.058 -0.179 -6.789 1.00 74.02 H new ATOM 0 HD13 LEU A 52 0.496 -0.065 -5.928 1.00 74.02 H new ATOM 0 HD21 LEU A 52 2.233 0.020 -8.471 1.00 62.33 H new ATOM 0 HD22 LEU A 52 2.597 -0.997 -7.057 1.00 62.33 H new ATOM 0 HD23 LEU A 52 2.442 -1.736 -8.669 1.00 62.33 H new ATOM 806 N ALA A 53 -0.384 -5.579 -6.910 1.00 34.24 N ATOM 807 CA ALA A 53 -0.546 -6.744 -6.042 1.00 54.21 C ATOM 808 C ALA A 53 0.340 -7.900 -6.484 1.00 14.44 C ATOM 809 O ALA A 53 0.972 -8.558 -5.655 1.00 21.42 O ATOM 810 CB ALA A 53 -2.003 -7.185 -6.006 1.00 51.43 C ATOM 0 H ALA A 53 -1.243 -5.275 -7.369 1.00 34.24 H new ATOM 0 HA ALA A 53 -0.238 -6.450 -5.039 1.00 54.21 H new ATOM 0 HB1 ALA A 53 -2.104 -8.053 -5.355 1.00 51.43 H new ATOM 0 HB2 ALA A 53 -2.620 -6.371 -5.625 1.00 51.43 H new ATOM 0 HB3 ALA A 53 -2.329 -7.446 -7.013 1.00 51.43 H new ATOM 816 N ALA A 54 0.395 -8.131 -7.790 1.00 34.35 N ATOM 817 CA ALA A 54 1.163 -9.239 -8.343 1.00 23.14 C ATOM 818 C ALA A 54 2.656 -9.080 -8.072 1.00 62.34 C ATOM 819 O ALA A 54 3.364 -10.061 -7.861 1.00 32.22 O ATOM 820 CB ALA A 54 0.912 -9.364 -9.839 1.00 64.51 C ATOM 0 H ALA A 54 -0.085 -7.563 -8.488 1.00 34.35 H new ATOM 0 HA ALA A 54 0.829 -10.150 -7.847 1.00 23.14 H new ATOM 0 HB1 ALA A 54 1.493 -10.196 -10.237 1.00 64.51 H new ATOM 0 HB2 ALA A 54 -0.148 -9.544 -10.016 1.00 64.51 H new ATOM 0 HB3 ALA A 54 1.212 -8.442 -10.337 1.00 64.51 H new ATOM 826 N ALA A 55 3.129 -7.843 -8.077 1.00 51.20 N ATOM 827 CA ALA A 55 4.544 -7.571 -7.864 1.00 61.31 C ATOM 828 C ALA A 55 4.887 -7.490 -6.379 1.00 32.32 C ATOM 829 O ALA A 55 5.981 -7.874 -5.964 1.00 41.42 O ATOM 830 CB ALA A 55 4.940 -6.279 -8.562 1.00 65.10 C ATOM 0 H ALA A 55 2.556 -7.013 -8.226 1.00 51.20 H new ATOM 0 HA ALA A 55 5.108 -8.401 -8.290 1.00 61.31 H new ATOM 0 HB1 ALA A 55 6.000 -6.086 -8.396 1.00 65.10 H new ATOM 0 HB2 ALA A 55 4.751 -6.371 -9.632 1.00 65.10 H new ATOM 0 HB3 ALA A 55 4.353 -5.453 -8.159 1.00 65.10 H new ATOM 836 N ALA A 56 3.953 -6.989 -5.583 1.00 64.24 N ATOM 837 CA ALA A 56 4.200 -6.768 -4.162 1.00 24.14 C ATOM 838 C ALA A 56 4.106 -8.057 -3.350 1.00 51.10 C ATOM 839 O ALA A 56 5.018 -8.384 -2.585 1.00 43.21 O ATOM 840 CB ALA A 56 3.235 -5.729 -3.613 1.00 61.45 C ATOM 0 H ALA A 56 3.018 -6.728 -5.895 1.00 64.24 H new ATOM 0 HA ALA A 56 5.221 -6.399 -4.067 1.00 24.14 H new ATOM 0 HB1 ALA A 56 3.431 -5.575 -2.552 1.00 61.45 H new ATOM 0 HB2 ALA A 56 3.370 -4.789 -4.147 1.00 61.45 H new ATOM 0 HB3 ALA A 56 2.211 -6.078 -3.745 1.00 61.45 H new ATOM 846 N SER A 57 3.016 -8.787 -3.518 1.00 24.11 N ATOM 847 CA SER A 57 2.765 -9.959 -2.699 1.00 71.11 C ATOM 848 C SER A 57 3.279 -11.227 -3.367 1.00 31.44 C ATOM 849 O SER A 57 3.653 -11.220 -4.541 1.00 40.14 O ATOM 850 CB SER A 57 1.269 -10.085 -2.394 1.00 1.24 C ATOM 851 OG SER A 57 0.497 -10.212 -3.578 1.00 71.23 O ATOM 0 H SER A 57 2.294 -8.589 -4.211 1.00 24.11 H new ATOM 0 HA SER A 57 3.308 -9.833 -1.762 1.00 71.11 H new ATOM 0 HB2 SER A 57 1.100 -10.952 -1.756 1.00 1.24 H new ATOM 0 HB3 SER A 57 0.937 -9.209 -1.836 1.00 1.24 H new ATOM 0 HG SER A 57 0.575 -9.392 -4.109 1.00 71.23 H new ATOM 857 N SER A 58 3.299 -12.308 -2.600 1.00 42.11 N ATOM 858 CA SER A 58 3.697 -13.610 -3.107 1.00 12.25 C ATOM 859 C SER A 58 2.484 -14.365 -3.635 1.00 63.31 C ATOM 860 O SER A 58 2.555 -15.558 -3.928 1.00 24.21 O ATOM 861 CB SER A 58 4.380 -14.416 -2.002 1.00 20.32 C ATOM 862 OG SER A 58 5.515 -13.726 -1.498 1.00 32.11 O ATOM 0 H SER A 58 3.041 -12.306 -1.613 1.00 42.11 H new ATOM 0 HA SER A 58 4.402 -13.467 -3.926 1.00 12.25 H new ATOM 0 HB2 SER A 58 3.674 -14.602 -1.193 1.00 20.32 H new ATOM 0 HB3 SER A 58 4.683 -15.388 -2.390 1.00 20.32 H new ATOM 0 HG SER A 58 5.243 -13.149 -0.754 1.00 32.11 H new ATOM 868 N ALA A 59 1.368 -13.659 -3.742 1.00 64.24 N ATOM 869 CA ALA A 59 0.152 -14.227 -4.292 1.00 43.35 C ATOM 870 C ALA A 59 0.190 -14.127 -5.806 1.00 43.10 C ATOM 871 O ALA A 59 -0.108 -13.081 -6.385 1.00 3.55 O ATOM 872 CB ALA A 59 -1.070 -13.528 -3.722 1.00 41.22 C ATOM 0 H ALA A 59 1.282 -12.685 -3.452 1.00 64.24 H new ATOM 0 HA ALA A 59 0.085 -15.279 -4.014 1.00 43.35 H new ATOM 0 HB1 ALA A 59 -1.972 -13.968 -4.147 1.00 41.22 H new ATOM 0 HB2 ALA A 59 -1.084 -13.646 -2.638 1.00 41.22 H new ATOM 0 HB3 ALA A 59 -1.032 -12.468 -3.971 1.00 41.22 H new ATOM 878 N ASP A 60 0.571 -15.224 -6.435 1.00 54.30 N ATOM 879 CA ASP A 60 0.847 -15.255 -7.868 1.00 44.10 C ATOM 880 C ASP A 60 -0.406 -15.002 -8.704 1.00 13.02 C ATOM 881 O ASP A 60 -0.330 -14.423 -9.788 1.00 13.41 O ATOM 882 CB ASP A 60 1.477 -16.597 -8.240 1.00 45.43 C ATOM 883 CG ASP A 60 1.702 -16.762 -9.727 1.00 32.44 C ATOM 884 OD1 ASP A 60 2.710 -16.231 -10.245 1.00 31.11 O ATOM 885 OD2 ASP A 60 0.885 -17.444 -10.380 1.00 22.13 O ATOM 0 H ASP A 60 0.699 -16.123 -5.970 1.00 54.30 H new ATOM 0 HA ASP A 60 1.545 -14.448 -8.091 1.00 44.10 H new ATOM 0 HB2 ASP A 60 2.431 -16.699 -7.722 1.00 45.43 H new ATOM 0 HB3 ASP A 60 0.834 -17.403 -7.885 1.00 45.43 H new ATOM 890 N GLU A 61 -1.558 -15.411 -8.195 1.00 35.42 N ATOM 891 CA GLU A 61 -2.810 -15.226 -8.919 1.00 33.24 C ATOM 892 C GLU A 61 -3.546 -13.990 -8.389 1.00 43.42 C ATOM 893 O GLU A 61 -4.697 -13.727 -8.743 1.00 34.11 O ATOM 894 CB GLU A 61 -3.673 -16.489 -8.808 1.00 52.44 C ATOM 895 CG GLU A 61 -4.859 -16.512 -9.759 1.00 65.34 C ATOM 896 CD GLU A 61 -5.498 -17.880 -9.863 1.00 23.24 C ATOM 897 OE1 GLU A 61 -5.670 -18.545 -8.821 1.00 11.41 O ATOM 898 OE2 GLU A 61 -5.806 -18.313 -10.996 1.00 32.03 O ATOM 0 H GLU A 61 -1.654 -15.871 -7.289 1.00 35.42 H new ATOM 0 HA GLU A 61 -2.597 -15.060 -9.975 1.00 33.24 H new ATOM 0 HB2 GLU A 61 -3.049 -17.361 -9.001 1.00 52.44 H new ATOM 0 HB3 GLU A 61 -4.039 -16.578 -7.785 1.00 52.44 H new ATOM 0 HG2 GLU A 61 -5.604 -15.792 -9.421 1.00 65.34 H new ATOM 0 HG3 GLU A 61 -4.532 -16.192 -10.748 1.00 65.34 H new ATOM 905 N GLY A 62 -2.854 -13.220 -7.558 1.00 14.33 N ATOM 906 CA GLY A 62 -3.426 -12.005 -7.016 1.00 65.43 C ATOM 907 C GLY A 62 -3.692 -12.106 -5.531 1.00 12.35 C ATOM 908 O GLY A 62 -4.085 -13.164 -5.034 1.00 14.02 O ATOM 0 H GLY A 62 -1.902 -13.418 -7.249 1.00 14.33 H new ATOM 0 HA2 GLY A 62 -2.749 -11.172 -7.205 1.00 65.43 H new ATOM 0 HA3 GLY A 62 -4.358 -11.782 -7.535 1.00 65.43 H new ATOM 912 N ALA A 63 -3.466 -11.010 -4.819 1.00 4.04 N ATOM 913 CA ALA A 63 -3.726 -10.959 -3.388 1.00 71.20 C ATOM 914 C ALA A 63 -5.216 -11.104 -3.114 1.00 2.14 C ATOM 915 O ALA A 63 -6.047 -10.759 -3.961 1.00 34.53 O ATOM 916 CB ALA A 63 -3.203 -9.658 -2.797 1.00 0.12 C ATOM 0 H ALA A 63 -3.102 -10.142 -5.212 1.00 4.04 H new ATOM 0 HA ALA A 63 -3.203 -11.789 -2.913 1.00 71.20 H new ATOM 0 HB1 ALA A 63 -3.406 -9.637 -1.726 1.00 0.12 H new ATOM 0 HB2 ALA A 63 -2.128 -9.589 -2.964 1.00 0.12 H new ATOM 0 HB3 ALA A 63 -3.700 -8.815 -3.277 1.00 0.12 H new ATOM 922 N SER A 64 -5.545 -11.624 -1.942 1.00 3.33 N ATOM 923 CA SER A 64 -6.931 -11.797 -1.548 1.00 50.00 C ATOM 924 C SER A 64 -7.574 -10.445 -1.278 1.00 52.44 C ATOM 925 O SER A 64 -7.453 -9.893 -0.184 1.00 11.52 O ATOM 926 CB SER A 64 -7.019 -12.678 -0.306 1.00 53.02 C ATOM 927 OG SER A 64 -6.481 -13.968 -0.560 1.00 55.44 O ATOM 0 H SER A 64 -4.867 -11.934 -1.246 1.00 3.33 H new ATOM 0 HA SER A 64 -7.468 -12.284 -2.362 1.00 50.00 H new ATOM 0 HB2 SER A 64 -6.478 -12.209 0.516 1.00 53.02 H new ATOM 0 HB3 SER A 64 -8.059 -12.769 0.007 1.00 53.02 H new ATOM 0 HG SER A 64 -6.546 -14.515 0.250 1.00 55.44 H new ATOM 933 N VAL A 65 -8.231 -9.904 -2.287 1.00 25.44 N ATOM 934 CA VAL A 65 -8.829 -8.590 -2.179 1.00 35.31 C ATOM 935 C VAL A 65 -10.351 -8.665 -2.179 1.00 63.21 C ATOM 936 O VAL A 65 -10.968 -9.156 -3.124 1.00 1.21 O ATOM 937 CB VAL A 65 -8.342 -7.643 -3.307 1.00 51.31 C ATOM 938 CG1 VAL A 65 -8.563 -8.254 -4.684 1.00 53.53 C ATOM 939 CG2 VAL A 65 -9.032 -6.291 -3.197 1.00 42.23 C ATOM 0 H VAL A 65 -8.363 -10.357 -3.191 1.00 25.44 H new ATOM 0 HA VAL A 65 -8.505 -8.177 -1.224 1.00 35.31 H new ATOM 0 HB VAL A 65 -7.269 -7.498 -3.184 1.00 51.31 H new ATOM 0 HG11 VAL A 65 -8.210 -7.563 -5.450 1.00 53.53 H new ATOM 0 HG12 VAL A 65 -8.011 -9.191 -4.759 1.00 53.53 H new ATOM 0 HG13 VAL A 65 -9.626 -8.446 -4.831 1.00 53.53 H new ATOM 0 HG21 VAL A 65 -8.680 -5.637 -3.995 1.00 42.23 H new ATOM 0 HG22 VAL A 65 -10.110 -6.424 -3.286 1.00 42.23 H new ATOM 0 HG23 VAL A 65 -8.800 -5.842 -2.231 1.00 42.23 H new ATOM 949 N ALA A 66 -10.942 -8.206 -1.093 1.00 62.03 N ATOM 950 CA ALA A 66 -12.378 -8.024 -1.025 1.00 45.22 C ATOM 951 C ALA A 66 -12.682 -6.554 -1.241 1.00 62.10 C ATOM 952 O ALA A 66 -12.491 -5.736 -0.343 1.00 44.12 O ATOM 953 CB ALA A 66 -12.923 -8.502 0.313 1.00 34.14 C ATOM 0 H ALA A 66 -10.445 -7.951 -0.240 1.00 62.03 H new ATOM 0 HA ALA A 66 -12.863 -8.618 -1.799 1.00 45.22 H new ATOM 0 HB1 ALA A 66 -14.003 -8.355 0.340 1.00 34.14 H new ATOM 0 HB2 ALA A 66 -12.698 -9.561 0.440 1.00 34.14 H new ATOM 0 HB3 ALA A 66 -12.459 -7.933 1.119 1.00 34.14 H new ATOM 959 N TYR A 67 -13.103 -6.211 -2.443 1.00 22.13 N ATOM 960 CA TYR A 67 -13.277 -4.814 -2.802 1.00 12.10 C ATOM 961 C TYR A 67 -14.704 -4.520 -3.236 1.00 35.34 C ATOM 962 O TYR A 67 -15.453 -5.426 -3.607 1.00 30.20 O ATOM 963 CB TYR A 67 -12.299 -4.412 -3.914 1.00 53.42 C ATOM 964 CG TYR A 67 -12.504 -5.128 -5.234 1.00 61.31 C ATOM 965 CD1 TYR A 67 -11.874 -6.338 -5.496 1.00 12.01 C ATOM 966 CD2 TYR A 67 -13.309 -4.581 -6.228 1.00 23.32 C ATOM 967 CE1 TYR A 67 -12.047 -6.985 -6.705 1.00 54.51 C ATOM 968 CE2 TYR A 67 -13.490 -5.224 -7.435 1.00 62.51 C ATOM 969 CZ TYR A 67 -12.854 -6.423 -7.670 1.00 24.24 C ATOM 970 OH TYR A 67 -13.024 -7.065 -8.877 1.00 42.32 O ATOM 0 H TYR A 67 -13.330 -6.874 -3.184 1.00 22.13 H new ATOM 0 HA TYR A 67 -13.065 -4.223 -1.911 1.00 12.10 H new ATOM 0 HB2 TYR A 67 -12.385 -3.339 -4.083 1.00 53.42 H new ATOM 0 HB3 TYR A 67 -11.282 -4.600 -3.569 1.00 53.42 H new ATOM 0 HD1 TYR A 67 -11.239 -6.780 -4.743 1.00 12.01 H new ATOM 0 HD2 TYR A 67 -13.801 -3.636 -6.052 1.00 23.32 H new ATOM 0 HE1 TYR A 67 -11.552 -7.926 -6.892 1.00 54.51 H new ATOM 0 HE2 TYR A 67 -14.127 -4.790 -8.191 1.00 62.51 H new ATOM 0 HH TYR A 67 -13.623 -6.538 -9.446 1.00 42.32 H new ATOM 980 N LYS A 68 -15.068 -3.252 -3.180 1.00 31.12 N ATOM 981 CA LYS A 68 -16.360 -2.802 -3.649 1.00 35.10 C ATOM 982 C LYS A 68 -16.225 -1.437 -4.305 1.00 34.10 C ATOM 983 O LYS A 68 -15.346 -0.644 -3.956 1.00 35.11 O ATOM 984 CB LYS A 68 -17.373 -2.718 -2.502 1.00 21.22 C ATOM 985 CG LYS A 68 -17.217 -1.476 -1.636 1.00 74.24 C ATOM 986 CD LYS A 68 -18.337 -1.358 -0.613 1.00 74.22 C ATOM 987 CE LYS A 68 -18.180 -2.354 0.526 1.00 2.24 C ATOM 988 NZ LYS A 68 -17.090 -1.968 1.460 1.00 30.22 N ATOM 0 H LYS A 68 -14.476 -2.509 -2.809 1.00 31.12 H new ATOM 0 HA LYS A 68 -16.724 -3.529 -4.375 1.00 35.10 H new ATOM 0 HB2 LYS A 68 -18.381 -2.736 -2.917 1.00 21.22 H new ATOM 0 HB3 LYS A 68 -17.271 -3.603 -1.874 1.00 21.22 H new ATOM 0 HG2 LYS A 68 -16.257 -1.509 -1.122 1.00 74.24 H new ATOM 0 HG3 LYS A 68 -17.208 -0.589 -2.270 1.00 74.24 H new ATOM 0 HD2 LYS A 68 -18.353 -0.346 -0.209 1.00 74.22 H new ATOM 0 HD3 LYS A 68 -19.296 -1.520 -1.106 1.00 74.22 H new ATOM 0 HE2 LYS A 68 -19.119 -2.427 1.075 1.00 2.24 H new ATOM 0 HE3 LYS A 68 -17.973 -3.343 0.116 1.00 2.24 H new ATOM 0 HZ1 LYS A 68 -17.168 -2.526 2.334 1.00 30.22 H new ATOM 0 HZ2 LYS A 68 -16.169 -2.151 1.013 1.00 30.22 H new ATOM 0 HZ3 LYS A 68 -17.170 -0.956 1.687 1.00 30.22 H new ATOM 1002 N ILE A 69 -17.089 -1.184 -5.260 1.00 53.13 N ATOM 1003 CA ILE A 69 -17.185 0.116 -5.890 1.00 34.13 C ATOM 1004 C ILE A 69 -18.514 0.745 -5.508 1.00 21.34 C ATOM 1005 O ILE A 69 -19.570 0.328 -5.987 1.00 44.44 O ATOM 1006 CB ILE A 69 -17.082 0.019 -7.427 1.00 65.14 C ATOM 1007 CG1 ILE A 69 -15.774 -0.666 -7.830 1.00 45.22 C ATOM 1008 CG2 ILE A 69 -17.177 1.405 -8.054 1.00 41.32 C ATOM 1009 CD1 ILE A 69 -15.627 -0.874 -9.322 1.00 60.30 C ATOM 0 H ILE A 69 -17.747 -1.873 -5.624 1.00 53.13 H new ATOM 0 HA ILE A 69 -16.353 0.729 -5.543 1.00 34.13 H new ATOM 0 HB ILE A 69 -17.913 -0.582 -7.795 1.00 65.14 H new ATOM 0 HG12 ILE A 69 -14.936 -0.068 -7.472 1.00 45.22 H new ATOM 0 HG13 ILE A 69 -15.712 -1.633 -7.330 1.00 45.22 H new ATOM 0 HG21 ILE A 69 -17.103 1.320 -9.138 1.00 41.32 H new ATOM 0 HG22 ILE A 69 -18.132 1.859 -7.790 1.00 41.32 H new ATOM 0 HG23 ILE A 69 -16.364 2.029 -7.683 1.00 41.32 H new ATOM 0 HD11 ILE A 69 -14.676 -1.364 -9.529 1.00 60.30 H new ATOM 0 HD12 ILE A 69 -16.444 -1.498 -9.685 1.00 60.30 H new ATOM 0 HD13 ILE A 69 -15.656 0.091 -9.828 1.00 60.30 H new ATOM 1021 N LYS A 70 -18.479 1.721 -4.619 1.00 10.54 N ATOM 1022 CA LYS A 70 -19.710 2.302 -4.127 1.00 31.23 C ATOM 1023 C LYS A 70 -19.985 3.622 -4.808 1.00 51.33 C ATOM 1024 O LYS A 70 -19.239 4.587 -4.655 1.00 15.13 O ATOM 1025 CB LYS A 70 -19.654 2.493 -2.616 1.00 44.34 C ATOM 1026 CG LYS A 70 -20.932 3.049 -1.985 1.00 42.25 C ATOM 1027 CD LYS A 70 -22.047 2.009 -1.882 1.00 51.45 C ATOM 1028 CE LYS A 70 -22.689 1.712 -3.227 1.00 14.43 C ATOM 1029 NZ LYS A 70 -23.844 0.785 -3.100 1.00 34.03 N ATOM 0 H LYS A 70 -17.626 2.121 -4.229 1.00 10.54 H new ATOM 0 HA LYS A 70 -20.523 1.613 -4.358 1.00 31.23 H new ATOM 0 HB2 LYS A 70 -19.426 1.533 -2.152 1.00 44.34 H new ATOM 0 HB3 LYS A 70 -18.829 3.165 -2.381 1.00 44.34 H new ATOM 0 HG2 LYS A 70 -20.704 3.429 -0.989 1.00 42.25 H new ATOM 0 HG3 LYS A 70 -21.284 3.895 -2.576 1.00 42.25 H new ATOM 0 HD2 LYS A 70 -21.643 1.087 -1.464 1.00 51.45 H new ATOM 0 HD3 LYS A 70 -22.810 2.365 -1.189 1.00 51.45 H new ATOM 0 HE2 LYS A 70 -23.021 2.644 -3.684 1.00 14.43 H new ATOM 0 HE3 LYS A 70 -21.946 1.276 -3.895 1.00 14.43 H new ATOM 0 HZ1 LYS A 70 -24.253 0.609 -4.040 1.00 34.03 H new ATOM 0 HZ2 LYS A 70 -23.524 -0.114 -2.688 1.00 34.03 H new ATOM 0 HZ3 LYS A 70 -24.565 1.211 -2.483 1.00 34.03 H new ATOM 1043 N ASP A 71 -21.052 3.636 -5.571 1.00 30.33 N ATOM 1044 CA ASP A 71 -21.508 4.839 -6.232 1.00 52.50 C ATOM 1045 C ASP A 71 -22.054 5.814 -5.198 1.00 64.12 C ATOM 1046 O ASP A 71 -22.888 5.451 -4.368 1.00 4.22 O ATOM 1047 CB ASP A 71 -22.583 4.501 -7.272 1.00 13.44 C ATOM 1048 CG ASP A 71 -23.756 3.733 -6.689 1.00 73.41 C ATOM 1049 OD1 ASP A 71 -23.663 2.490 -6.589 1.00 14.51 O ATOM 1050 OD2 ASP A 71 -24.771 4.364 -6.323 1.00 52.42 O ATOM 0 H ASP A 71 -21.629 2.815 -5.752 1.00 30.33 H new ATOM 0 HA ASP A 71 -20.668 5.304 -6.749 1.00 52.50 H new ATOM 0 HB2 ASP A 71 -22.948 5.424 -7.721 1.00 13.44 H new ATOM 0 HB3 ASP A 71 -22.134 3.913 -8.072 1.00 13.44 H new ATOM 1055 N LEU A 72 -21.557 7.035 -5.216 1.00 73.43 N ATOM 1056 CA LEU A 72 -22.012 8.050 -4.281 1.00 12.20 C ATOM 1057 C LEU A 72 -22.665 9.188 -5.048 1.00 43.31 C ATOM 1058 O LEU A 72 -22.901 9.078 -6.253 1.00 50.54 O ATOM 1059 CB LEU A 72 -20.842 8.580 -3.440 1.00 74.14 C ATOM 1060 CG LEU A 72 -20.024 7.518 -2.705 1.00 23.54 C ATOM 1061 CD1 LEU A 72 -18.872 8.167 -1.956 1.00 72.03 C ATOM 1062 CD2 LEU A 72 -20.897 6.725 -1.748 1.00 71.11 C ATOM 0 H LEU A 72 -20.838 7.350 -5.867 1.00 73.43 H new ATOM 0 HA LEU A 72 -22.740 7.604 -3.604 1.00 12.20 H new ATOM 0 HB2 LEU A 72 -20.173 9.141 -4.093 1.00 74.14 H new ATOM 0 HB3 LEU A 72 -21.235 9.283 -2.706 1.00 74.14 H new ATOM 0 HG LEU A 72 -19.619 6.827 -3.445 1.00 23.54 H new ATOM 0 HD11 LEU A 72 -18.297 7.400 -1.437 1.00 72.03 H new ATOM 0 HD12 LEU A 72 -18.226 8.688 -2.663 1.00 72.03 H new ATOM 0 HD13 LEU A 72 -19.265 8.879 -1.230 1.00 72.03 H new ATOM 0 HD21 LEU A 72 -20.291 5.976 -1.238 1.00 71.11 H new ATOM 0 HD22 LEU A 72 -21.336 7.399 -1.012 1.00 71.11 H new ATOM 0 HD23 LEU A 72 -21.692 6.230 -2.306 1.00 71.11 H new ATOM 1074 N GLU A 73 -22.957 10.276 -4.357 1.00 62.11 N ATOM 1075 CA GLU A 73 -23.577 11.423 -4.993 1.00 14.24 C ATOM 1076 C GLU A 73 -22.509 12.384 -5.506 1.00 13.53 C ATOM 1077 O GLU A 73 -21.939 13.161 -4.739 1.00 53.45 O ATOM 1078 CB GLU A 73 -24.519 12.140 -4.021 1.00 3.31 C ATOM 1079 CG GLU A 73 -25.342 13.232 -4.678 1.00 23.55 C ATOM 1080 CD GLU A 73 -26.200 12.706 -5.808 1.00 30.15 C ATOM 1081 OE1 GLU A 73 -25.705 12.632 -6.952 1.00 70.41 O ATOM 1082 OE2 GLU A 73 -27.371 12.359 -5.558 1.00 23.32 O ATOM 0 H GLU A 73 -22.775 10.388 -3.360 1.00 62.11 H new ATOM 0 HA GLU A 73 -24.166 11.070 -5.840 1.00 14.24 H new ATOM 0 HB2 GLU A 73 -25.191 11.409 -3.571 1.00 3.31 H new ATOM 0 HB3 GLU A 73 -23.933 12.574 -3.211 1.00 3.31 H new ATOM 0 HG2 GLU A 73 -25.980 13.703 -3.930 1.00 23.55 H new ATOM 0 HG3 GLU A 73 -24.676 14.005 -5.061 1.00 23.55 H new ATOM 1089 N GLY A 74 -22.229 12.310 -6.801 1.00 41.24 N ATOM 1090 CA GLY A 74 -21.234 13.176 -7.406 1.00 62.14 C ATOM 1091 C GLY A 74 -19.826 12.634 -7.255 1.00 70.34 C ATOM 1092 O GLY A 74 -18.855 13.357 -7.477 1.00 42.25 O ATOM 0 H GLY A 74 -22.677 11.661 -7.448 1.00 41.24 H new ATOM 0 HA2 GLY A 74 -21.461 13.301 -8.465 1.00 62.14 H new ATOM 0 HA3 GLY A 74 -21.291 14.164 -6.949 1.00 62.14 H new ATOM 1096 N GLN A 75 -19.722 11.364 -6.878 1.00 64.55 N ATOM 1097 CA GLN A 75 -18.431 10.711 -6.684 1.00 1.21 C ATOM 1098 C GLN A 75 -18.650 9.235 -6.377 1.00 12.41 C ATOM 1099 O GLN A 75 -19.786 8.774 -6.351 1.00 31.43 O ATOM 1100 CB GLN A 75 -17.647 11.378 -5.548 1.00 50.22 C ATOM 1101 CG GLN A 75 -18.332 11.299 -4.193 1.00 34.23 C ATOM 1102 CD GLN A 75 -17.634 12.138 -3.141 1.00 3.43 C ATOM 1103 OE1 GLN A 75 -17.040 13.244 -3.565 1.00 23.40 O flip ATOM 1104 NE2 GLN A 75 -17.640 11.802 -1.958 1.00 23.41 N flip ATOM 0 H GLN A 75 -20.525 10.761 -6.699 1.00 64.55 H new ATOM 0 HA GLN A 75 -17.847 10.809 -7.599 1.00 1.21 H new ATOM 0 HB2 GLN A 75 -16.665 10.910 -5.475 1.00 50.22 H new ATOM 0 HB3 GLN A 75 -17.483 12.426 -5.800 1.00 50.22 H new ATOM 0 HG2 GLN A 75 -19.365 11.632 -4.292 1.00 34.23 H new ATOM 0 HG3 GLN A 75 -18.361 10.260 -3.864 1.00 34.23 H new ATOM 0 HE21 GLN A 75 -18.110 10.942 -1.674 1.00 23.41 H new ATOM 0 HE22 GLN A 75 -17.175 12.383 -1.260 1.00 23.41 H new ATOM 1113 N VAL A 76 -17.571 8.499 -6.164 1.00 13.32 N ATOM 1114 CA VAL A 76 -17.650 7.091 -5.785 1.00 22.30 C ATOM 1115 C VAL A 76 -16.563 6.764 -4.776 1.00 3.41 C ATOM 1116 O VAL A 76 -15.549 7.459 -4.708 1.00 10.00 O ATOM 1117 CB VAL A 76 -17.488 6.144 -6.997 1.00 33.13 C ATOM 1118 CG1 VAL A 76 -18.618 6.328 -7.997 1.00 42.52 C ATOM 1119 CG2 VAL A 76 -16.135 6.347 -7.663 1.00 0.44 C ATOM 0 H VAL A 76 -16.619 8.855 -6.247 1.00 13.32 H new ATOM 0 HA VAL A 76 -18.640 6.936 -5.356 1.00 22.30 H new ATOM 0 HB VAL A 76 -17.537 5.119 -6.628 1.00 33.13 H new ATOM 0 HG11 VAL A 76 -18.475 5.648 -8.837 1.00 42.52 H new ATOM 0 HG12 VAL A 76 -19.571 6.112 -7.513 1.00 42.52 H new ATOM 0 HG13 VAL A 76 -18.620 7.356 -8.359 1.00 42.52 H new ATOM 0 HG21 VAL A 76 -16.043 5.671 -8.513 1.00 0.44 H new ATOM 0 HG22 VAL A 76 -16.050 7.377 -8.008 1.00 0.44 H new ATOM 0 HG23 VAL A 76 -15.341 6.138 -6.946 1.00 0.44 H new ATOM 1129 N GLU A 77 -16.777 5.720 -3.990 1.00 24.41 N ATOM 1130 CA GLU A 77 -15.749 5.234 -3.091 1.00 51.50 C ATOM 1131 C GLU A 77 -15.250 3.875 -3.549 1.00 32.14 C ATOM 1132 O GLU A 77 -16.019 2.912 -3.643 1.00 30.45 O ATOM 1133 CB GLU A 77 -16.249 5.143 -1.641 1.00 22.35 C ATOM 1134 CG GLU A 77 -15.200 4.566 -0.694 1.00 30.02 C ATOM 1135 CD GLU A 77 -15.627 4.542 0.762 1.00 51.00 C ATOM 1136 OE1 GLU A 77 -16.596 3.828 1.098 1.00 3.21 O ATOM 1137 OE2 GLU A 77 -14.958 5.199 1.589 1.00 64.02 O ATOM 0 H GLU A 77 -17.652 5.196 -3.958 1.00 24.41 H new ATOM 0 HA GLU A 77 -14.930 5.952 -3.116 1.00 51.50 H new ATOM 0 HB2 GLU A 77 -16.537 6.136 -1.297 1.00 22.35 H new ATOM 0 HB3 GLU A 77 -17.144 4.522 -1.607 1.00 22.35 H new ATOM 0 HG2 GLU A 77 -14.962 3.550 -1.009 1.00 30.02 H new ATOM 0 HG3 GLU A 77 -14.284 5.150 -0.784 1.00 30.02 H new ATOM 1144 N LEU A 78 -13.967 3.813 -3.867 1.00 60.44 N ATOM 1145 CA LEU A 78 -13.325 2.553 -4.183 1.00 54.24 C ATOM 1146 C LEU A 78 -12.757 1.974 -2.899 1.00 70.42 C ATOM 1147 O LEU A 78 -11.803 2.510 -2.336 1.00 44.44 O ATOM 1148 CB LEU A 78 -12.225 2.753 -5.240 1.00 63.22 C ATOM 1149 CG LEU A 78 -11.656 1.477 -5.884 1.00 4.15 C ATOM 1150 CD1 LEU A 78 -10.701 0.755 -4.948 1.00 31.14 C ATOM 1151 CD2 LEU A 78 -12.780 0.546 -6.311 1.00 61.22 C ATOM 0 H LEU A 78 -13.351 4.624 -3.912 1.00 60.44 H new ATOM 0 HA LEU A 78 -14.051 1.858 -4.606 1.00 54.24 H new ATOM 0 HB2 LEU A 78 -12.623 3.387 -6.032 1.00 63.22 H new ATOM 0 HB3 LEU A 78 -11.402 3.299 -4.778 1.00 63.22 H new ATOM 0 HG LEU A 78 -11.093 1.779 -6.767 1.00 4.15 H new ATOM 0 HD11 LEU A 78 -10.320 -0.141 -5.438 1.00 31.14 H new ATOM 0 HD12 LEU A 78 -9.869 1.414 -4.698 1.00 31.14 H new ATOM 0 HD13 LEU A 78 -11.228 0.474 -4.036 1.00 31.14 H new ATOM 0 HD21 LEU A 78 -12.357 -0.351 -6.764 1.00 61.22 H new ATOM 0 HD22 LEU A 78 -13.373 0.267 -5.440 1.00 61.22 H new ATOM 0 HD23 LEU A 78 -13.417 1.053 -7.036 1.00 61.22 H new ATOM 1163 N ASP A 79 -13.366 0.900 -2.438 1.00 44.14 N ATOM 1164 CA ASP A 79 -12.990 0.287 -1.170 1.00 13.22 C ATOM 1165 C ASP A 79 -12.447 -1.107 -1.413 1.00 1.12 C ATOM 1166 O ASP A 79 -13.013 -1.864 -2.196 1.00 31.33 O ATOM 1167 CB ASP A 79 -14.201 0.233 -0.233 1.00 2.45 C ATOM 1168 CG ASP A 79 -13.949 -0.583 1.021 1.00 12.23 C ATOM 1169 OD1 ASP A 79 -13.249 -0.092 1.931 1.00 45.52 O ATOM 1170 OD2 ASP A 79 -14.478 -1.712 1.113 1.00 74.31 O ATOM 0 H ASP A 79 -14.129 0.428 -2.923 1.00 44.14 H new ATOM 0 HA ASP A 79 -12.213 0.889 -0.699 1.00 13.22 H new ATOM 0 HB2 ASP A 79 -14.478 1.248 0.051 1.00 2.45 H new ATOM 0 HB3 ASP A 79 -15.050 -0.191 -0.770 1.00 2.45 H new ATOM 1175 N ALA A 80 -11.345 -1.441 -0.763 1.00 64.44 N ATOM 1176 CA ALA A 80 -10.719 -2.734 -0.965 1.00 32.15 C ATOM 1177 C ALA A 80 -10.012 -3.223 0.293 1.00 61.13 C ATOM 1178 O ALA A 80 -9.389 -2.443 1.014 1.00 75.11 O ATOM 1179 CB ALA A 80 -9.737 -2.661 -2.123 1.00 53.15 C ATOM 0 H ALA A 80 -10.868 -0.837 -0.094 1.00 64.44 H new ATOM 0 HA ALA A 80 -11.506 -3.451 -1.200 1.00 32.15 H new ATOM 0 HB1 ALA A 80 -9.272 -3.636 -2.267 1.00 53.15 H new ATOM 0 HB2 ALA A 80 -10.266 -2.373 -3.031 1.00 53.15 H new ATOM 0 HB3 ALA A 80 -8.968 -1.921 -1.902 1.00 53.15 H new ATOM 1185 N ALA A 81 -10.134 -4.516 0.557 1.00 12.14 N ATOM 1186 CA ALA A 81 -9.409 -5.159 1.642 1.00 3.24 C ATOM 1187 C ALA A 81 -8.436 -6.189 1.077 1.00 71.35 C ATOM 1188 O ALA A 81 -8.852 -7.228 0.567 1.00 61.21 O ATOM 1189 CB ALA A 81 -10.378 -5.811 2.619 1.00 12.52 C ATOM 0 H ALA A 81 -10.736 -5.146 0.027 1.00 12.14 H new ATOM 0 HA ALA A 81 -8.841 -4.403 2.184 1.00 3.24 H new ATOM 0 HB1 ALA A 81 -9.818 -6.287 3.424 1.00 12.52 H new ATOM 0 HB2 ALA A 81 -11.039 -5.052 3.037 1.00 12.52 H new ATOM 0 HB3 ALA A 81 -10.971 -6.561 2.097 1.00 12.52 H new ATOM 1195 N PHE A 82 -7.149 -5.886 1.157 1.00 74.14 N ATOM 1196 CA PHE A 82 -6.114 -6.743 0.590 1.00 42.40 C ATOM 1197 C PHE A 82 -5.452 -7.601 1.657 1.00 3.31 C ATOM 1198 O PHE A 82 -4.762 -7.088 2.537 1.00 55.45 O ATOM 1199 CB PHE A 82 -5.036 -5.896 -0.093 1.00 72.24 C ATOM 1200 CG PHE A 82 -5.449 -5.296 -1.408 1.00 4.03 C ATOM 1201 CD1 PHE A 82 -6.060 -4.052 -1.460 1.00 33.31 C ATOM 1202 CD2 PHE A 82 -5.208 -5.970 -2.594 1.00 31.43 C ATOM 1203 CE1 PHE A 82 -6.424 -3.495 -2.669 1.00 71.21 C ATOM 1204 CE2 PHE A 82 -5.573 -5.417 -3.807 1.00 70.34 C ATOM 1205 CZ PHE A 82 -6.181 -4.177 -3.844 1.00 31.41 C ATOM 0 H PHE A 82 -6.793 -5.046 1.613 1.00 74.14 H new ATOM 0 HA PHE A 82 -6.599 -7.394 -0.138 1.00 42.40 H new ATOM 0 HB2 PHE A 82 -4.743 -5.092 0.582 1.00 72.24 H new ATOM 0 HB3 PHE A 82 -4.153 -6.515 -0.253 1.00 72.24 H new ATOM 0 HD1 PHE A 82 -6.253 -3.513 -0.544 1.00 33.31 H new ATOM 0 HD2 PHE A 82 -4.730 -6.938 -2.571 1.00 31.43 H new ATOM 0 HE1 PHE A 82 -6.899 -2.525 -2.696 1.00 71.21 H new ATOM 0 HE2 PHE A 82 -5.383 -5.954 -4.725 1.00 70.34 H new ATOM 0 HZ PHE A 82 -6.466 -3.742 -4.791 1.00 31.41 H new ATOM 1215 N THR A 83 -5.660 -8.904 1.577 1.00 70.44 N ATOM 1216 CA THR A 83 -4.968 -9.833 2.448 1.00 71.04 C ATOM 1217 C THR A 83 -3.720 -10.365 1.748 1.00 70.44 C ATOM 1218 O THR A 83 -3.812 -11.035 0.717 1.00 53.52 O ATOM 1219 CB THR A 83 -5.875 -11.012 2.855 1.00 30.32 C ATOM 1220 OG1 THR A 83 -7.077 -10.517 3.463 1.00 42.31 O ATOM 1221 CG2 THR A 83 -5.158 -11.934 3.828 1.00 55.41 C ATOM 0 H THR A 83 -6.303 -9.341 0.917 1.00 70.44 H new ATOM 0 HA THR A 83 -4.686 -9.296 3.353 1.00 71.04 H new ATOM 0 HB THR A 83 -6.125 -11.577 1.957 1.00 30.32 H new ATOM 0 HG1 THR A 83 -7.649 -11.271 3.718 1.00 42.31 H new ATOM 0 HG21 THR A 83 -5.817 -12.758 4.101 1.00 55.41 H new ATOM 0 HG22 THR A 83 -4.258 -12.330 3.358 1.00 55.41 H new ATOM 0 HG23 THR A 83 -4.885 -11.376 4.724 1.00 55.41 H new ATOM 1229 N PHE A 84 -2.560 -10.043 2.296 1.00 11.00 N ATOM 1230 CA PHE A 84 -1.298 -10.460 1.708 1.00 62.23 C ATOM 1231 C PHE A 84 -0.771 -11.711 2.396 1.00 52.02 C ATOM 1232 O PHE A 84 -1.418 -12.256 3.289 1.00 50.43 O ATOM 1233 CB PHE A 84 -0.274 -9.328 1.806 1.00 41.44 C ATOM 1234 CG PHE A 84 -0.696 -8.077 1.091 1.00 2.21 C ATOM 1235 CD1 PHE A 84 -0.422 -7.910 -0.256 1.00 63.21 C ATOM 1236 CD2 PHE A 84 -1.369 -7.071 1.763 1.00 32.23 C ATOM 1237 CE1 PHE A 84 -0.810 -6.762 -0.918 1.00 55.13 C ATOM 1238 CE2 PHE A 84 -1.760 -5.921 1.107 1.00 51.33 C ATOM 1239 CZ PHE A 84 -1.480 -5.767 -0.235 1.00 45.53 C ATOM 0 H PHE A 84 -2.466 -9.493 3.150 1.00 11.00 H new ATOM 0 HA PHE A 84 -1.466 -10.694 0.657 1.00 62.23 H new ATOM 0 HB2 PHE A 84 -0.100 -9.096 2.857 1.00 41.44 H new ATOM 0 HB3 PHE A 84 0.675 -9.670 1.394 1.00 41.44 H new ATOM 0 HD1 PHE A 84 0.101 -8.686 -0.795 1.00 63.21 H new ATOM 0 HD2 PHE A 84 -1.591 -7.187 2.814 1.00 32.23 H new ATOM 0 HE1 PHE A 84 -0.590 -6.643 -1.969 1.00 55.13 H new ATOM 0 HE2 PHE A 84 -2.284 -5.144 1.643 1.00 51.33 H new ATOM 0 HZ PHE A 84 -1.785 -4.868 -0.751 1.00 45.53 H new ATOM 1249 N SER A 85 0.402 -12.162 1.979 1.00 42.22 N ATOM 1250 CA SER A 85 0.995 -13.361 2.546 1.00 23.43 C ATOM 1251 C SER A 85 2.127 -13.015 3.510 1.00 13.21 C ATOM 1252 O SER A 85 2.572 -13.856 4.290 1.00 43.24 O ATOM 1253 CB SER A 85 1.486 -14.281 1.422 1.00 53.12 C ATOM 1254 OG SER A 85 2.084 -13.538 0.368 1.00 11.24 O ATOM 0 H SER A 85 0.961 -11.716 1.251 1.00 42.22 H new ATOM 0 HA SER A 85 0.233 -13.888 3.120 1.00 23.43 H new ATOM 0 HB2 SER A 85 2.208 -14.993 1.822 1.00 53.12 H new ATOM 0 HB3 SER A 85 0.649 -14.860 1.032 1.00 53.12 H new ATOM 0 HG SER A 85 2.462 -12.708 0.726 1.00 11.24 H new ATOM 1260 N CYS A 86 2.585 -11.771 3.462 1.00 33.52 N ATOM 1261 CA CYS A 86 3.654 -11.313 4.338 1.00 53.05 C ATOM 1262 C CYS A 86 3.338 -9.917 4.867 1.00 13.11 C ATOM 1263 O CYS A 86 2.556 -9.184 4.258 1.00 11.32 O ATOM 1264 CB CYS A 86 4.983 -11.280 3.582 1.00 25.00 C ATOM 1265 SG CYS A 86 5.370 -12.793 2.666 1.00 22.20 S ATOM 0 H CYS A 86 2.231 -11.059 2.823 1.00 33.52 H new ATOM 0 HA CYS A 86 3.735 -12.007 5.174 1.00 53.05 H new ATOM 0 HB2 CYS A 86 4.968 -10.443 2.884 1.00 25.00 H new ATOM 0 HB3 CYS A 86 5.786 -11.087 4.294 1.00 25.00 H new ATOM 0 HG CYS A 86 5.240 -12.574 1.391 1.00 22.20 H new ATOM 1271 N GLN A 87 3.949 -9.556 5.991 1.00 32.23 N ATOM 1272 CA GLN A 87 3.767 -8.228 6.572 1.00 64.33 C ATOM 1273 C GLN A 87 4.241 -7.147 5.615 1.00 14.24 C ATOM 1274 O GLN A 87 3.525 -6.180 5.349 1.00 33.15 O ATOM 1275 CB GLN A 87 4.546 -8.094 7.880 1.00 52.43 C ATOM 1276 CG GLN A 87 4.447 -6.708 8.500 1.00 41.31 C ATOM 1277 CD GLN A 87 3.062 -6.402 9.040 1.00 73.22 C ATOM 1278 OE1 GLN A 87 2.362 -7.426 9.500 1.00 61.25 O flip ATOM 1279 NE2 GLN A 87 2.635 -5.249 9.064 1.00 33.34 N flip ATOM 0 H GLN A 87 4.575 -10.164 6.519 1.00 32.23 H new ATOM 0 HA GLN A 87 2.701 -8.104 6.765 1.00 64.33 H new ATOM 0 HB2 GLN A 87 4.175 -8.831 8.593 1.00 52.43 H new ATOM 0 HB3 GLN A 87 5.595 -8.328 7.696 1.00 52.43 H new ATOM 0 HG2 GLN A 87 5.174 -6.624 9.308 1.00 41.31 H new ATOM 0 HG3 GLN A 87 4.714 -5.961 7.752 1.00 41.31 H new ATOM 0 HE21 GLN A 87 3.206 -4.486 8.699 1.00 33.34 H new ATOM 0 HE22 GLN A 87 1.710 -5.056 9.449 1.00 33.34 H new ATOM 1288 N ALA A 88 5.455 -7.322 5.104 1.00 73.41 N ATOM 1289 CA ALA A 88 6.072 -6.327 4.242 1.00 20.32 C ATOM 1290 C ALA A 88 5.193 -6.032 3.041 1.00 65.04 C ATOM 1291 O ALA A 88 4.990 -4.876 2.688 1.00 4.05 O ATOM 1292 CB ALA A 88 7.447 -6.788 3.785 1.00 63.10 C ATOM 0 H ALA A 88 6.031 -8.147 5.274 1.00 73.41 H new ATOM 0 HA ALA A 88 6.187 -5.410 4.819 1.00 20.32 H new ATOM 0 HB1 ALA A 88 7.890 -6.028 3.141 1.00 63.10 H new ATOM 0 HB2 ALA A 88 8.086 -6.945 4.654 1.00 63.10 H new ATOM 0 HB3 ALA A 88 7.352 -7.722 3.231 1.00 63.10 H new ATOM 1298 N GLU A 89 4.635 -7.086 2.455 1.00 2.33 N ATOM 1299 CA GLU A 89 3.825 -6.974 1.247 1.00 2.34 C ATOM 1300 C GLU A 89 2.657 -6.012 1.444 1.00 41.24 C ATOM 1301 O GLU A 89 2.217 -5.362 0.500 1.00 41.11 O ATOM 1302 CB GLU A 89 3.299 -8.346 0.844 1.00 45.32 C ATOM 1303 CG GLU A 89 4.391 -9.391 0.704 1.00 70.53 C ATOM 1304 CD GLU A 89 3.844 -10.765 0.398 1.00 71.10 C ATOM 1305 OE1 GLU A 89 2.661 -11.021 0.706 1.00 31.13 O ATOM 1306 OE2 GLU A 89 4.600 -11.601 -0.139 1.00 4.24 O ATOM 0 H GLU A 89 4.731 -8.040 2.803 1.00 2.33 H new ATOM 0 HA GLU A 89 4.460 -6.577 0.455 1.00 2.34 H new ATOM 0 HB2 GLU A 89 2.577 -8.683 1.587 1.00 45.32 H new ATOM 0 HB3 GLU A 89 2.766 -8.259 -0.103 1.00 45.32 H new ATOM 0 HG2 GLU A 89 5.076 -9.092 -0.089 1.00 70.53 H new ATOM 0 HG3 GLU A 89 4.970 -9.432 1.626 1.00 70.53 H new ATOM 1313 N MET A 90 2.169 -5.918 2.675 1.00 54.43 N ATOM 1314 CA MET A 90 1.074 -5.014 2.989 1.00 1.45 C ATOM 1315 C MET A 90 1.564 -3.570 3.009 1.00 20.11 C ATOM 1316 O MET A 90 1.089 -2.729 2.251 1.00 63.34 O ATOM 1317 CB MET A 90 0.461 -5.367 4.345 1.00 13.21 C ATOM 1318 CG MET A 90 -0.735 -4.501 4.711 1.00 1.22 C ATOM 1319 SD MET A 90 -1.315 -4.779 6.394 1.00 33.15 S ATOM 1320 CE MET A 90 0.119 -4.248 7.327 1.00 14.02 C ATOM 0 H MET A 90 2.515 -6.456 3.469 1.00 54.43 H new ATOM 0 HA MET A 90 0.313 -5.121 2.216 1.00 1.45 H new ATOM 0 HB2 MET A 90 0.154 -6.413 4.335 1.00 13.21 H new ATOM 0 HB3 MET A 90 1.223 -5.266 5.117 1.00 13.21 H new ATOM 0 HG2 MET A 90 -0.466 -3.451 4.594 1.00 1.22 H new ATOM 0 HG3 MET A 90 -1.549 -4.701 4.014 1.00 1.22 H new ATOM 0 HE1 MET A 90 -0.073 -4.375 8.392 1.00 14.02 H new ATOM 0 HE2 MET A 90 0.983 -4.848 7.040 1.00 14.02 H new ATOM 0 HE3 MET A 90 0.321 -3.198 7.117 1.00 14.02 H new ATOM 1330 N ILE A 91 2.538 -3.302 3.867 1.00 50.12 N ATOM 1331 CA ILE A 91 3.035 -1.950 4.075 1.00 63.21 C ATOM 1332 C ILE A 91 3.787 -1.397 2.857 1.00 31.31 C ATOM 1333 O ILE A 91 3.725 -0.196 2.587 1.00 42.31 O ATOM 1334 CB ILE A 91 3.906 -1.847 5.352 1.00 14.12 C ATOM 1335 CG1 ILE A 91 4.703 -3.139 5.592 1.00 2.43 C ATOM 1336 CG2 ILE A 91 3.034 -1.521 6.556 1.00 2.25 C ATOM 1337 CD1 ILE A 91 5.559 -3.104 6.841 1.00 14.33 C ATOM 0 H ILE A 91 3.003 -4.010 4.435 1.00 50.12 H new ATOM 0 HA ILE A 91 2.152 -1.326 4.215 1.00 63.21 H new ATOM 0 HB ILE A 91 4.624 -1.040 5.209 1.00 14.12 H new ATOM 0 HG12 ILE A 91 4.008 -3.976 5.662 1.00 2.43 H new ATOM 0 HG13 ILE A 91 5.342 -3.326 4.729 1.00 2.43 H new ATOM 0 HG21 ILE A 91 3.657 -1.451 7.448 1.00 2.25 H new ATOM 0 HG22 ILE A 91 2.527 -0.570 6.392 1.00 2.25 H new ATOM 0 HG23 ILE A 91 2.292 -2.308 6.692 1.00 2.25 H new ATOM 0 HD11 ILE A 91 6.091 -4.050 6.944 1.00 14.33 H new ATOM 0 HD12 ILE A 91 6.279 -2.289 6.766 1.00 14.33 H new ATOM 0 HD13 ILE A 91 4.924 -2.949 7.713 1.00 14.33 H new ATOM 1349 N ILE A 92 4.479 -2.255 2.108 1.00 31.40 N ATOM 1350 CA ILE A 92 5.147 -1.806 0.890 1.00 41.20 C ATOM 1351 C ILE A 92 4.112 -1.472 -0.177 1.00 0.40 C ATOM 1352 O ILE A 92 4.323 -0.594 -1.013 1.00 42.00 O ATOM 1353 CB ILE A 92 6.146 -2.848 0.327 1.00 11.11 C ATOM 1354 CG1 ILE A 92 5.428 -4.123 -0.132 1.00 35.52 C ATOM 1355 CG2 ILE A 92 7.212 -3.167 1.364 1.00 2.21 C ATOM 1356 CD1 ILE A 92 6.348 -5.140 -0.774 1.00 73.41 C ATOM 0 H ILE A 92 4.590 -3.247 2.319 1.00 31.40 H new ATOM 0 HA ILE A 92 5.721 -0.919 1.158 1.00 41.20 H new ATOM 0 HB ILE A 92 6.630 -2.415 -0.549 1.00 11.11 H new ATOM 0 HG12 ILE A 92 4.936 -4.581 0.726 1.00 35.52 H new ATOM 0 HG13 ILE A 92 4.646 -3.854 -0.842 1.00 35.52 H new ATOM 0 HG21 ILE A 92 7.908 -3.900 0.957 1.00 2.21 H new ATOM 0 HG22 ILE A 92 7.753 -2.257 1.621 1.00 2.21 H new ATOM 0 HG23 ILE A 92 6.740 -3.573 2.258 1.00 2.21 H new ATOM 0 HD11 ILE A 92 5.771 -6.015 -1.073 1.00 73.41 H new ATOM 0 HD12 ILE A 92 6.821 -4.700 -1.652 1.00 73.41 H new ATOM 0 HD13 ILE A 92 7.115 -5.439 -0.060 1.00 73.41 H new ATOM 1368 N PHE A 93 2.989 -2.170 -0.129 1.00 13.05 N ATOM 1369 CA PHE A 93 1.896 -1.943 -1.059 1.00 12.13 C ATOM 1370 C PHE A 93 1.326 -0.546 -0.857 1.00 54.21 C ATOM 1371 O PHE A 93 1.133 0.204 -1.816 1.00 60.43 O ATOM 1372 CB PHE A 93 0.813 -2.999 -0.836 1.00 14.23 C ATOM 1373 CG PHE A 93 -0.229 -3.059 -1.909 1.00 61.22 C ATOM 1374 CD1 PHE A 93 0.027 -3.724 -3.095 1.00 52.43 C ATOM 1375 CD2 PHE A 93 -1.465 -2.466 -1.727 1.00 52.25 C ATOM 1376 CE1 PHE A 93 -0.932 -3.795 -4.083 1.00 33.53 C ATOM 1377 CE2 PHE A 93 -2.428 -2.537 -2.711 1.00 31.24 C ATOM 1378 CZ PHE A 93 -2.160 -3.202 -3.892 1.00 12.41 C ATOM 0 H PHE A 93 2.810 -2.907 0.553 1.00 13.05 H new ATOM 0 HA PHE A 93 2.264 -2.022 -2.082 1.00 12.13 H new ATOM 0 HB2 PHE A 93 1.288 -3.976 -0.754 1.00 14.23 H new ATOM 0 HB3 PHE A 93 0.323 -2.802 0.118 1.00 14.23 H new ATOM 0 HD1 PHE A 93 0.988 -4.192 -3.248 1.00 52.43 H new ATOM 0 HD2 PHE A 93 -1.678 -1.943 -0.806 1.00 52.25 H new ATOM 0 HE1 PHE A 93 -0.720 -4.315 -5.006 1.00 33.53 H new ATOM 0 HE2 PHE A 93 -3.391 -2.073 -2.559 1.00 31.24 H new ATOM 0 HZ PHE A 93 -2.913 -3.257 -4.664 1.00 12.41 H new ATOM 1388 N GLU A 94 1.079 -0.200 0.404 1.00 0.25 N ATOM 1389 CA GLU A 94 0.563 1.117 0.761 1.00 31.24 C ATOM 1390 C GLU A 94 1.519 2.205 0.281 1.00 33.43 C ATOM 1391 O GLU A 94 1.094 3.236 -0.241 1.00 61.44 O ATOM 1392 CB GLU A 94 0.373 1.242 2.278 1.00 21.52 C ATOM 1393 CG GLU A 94 -0.105 -0.033 2.955 1.00 72.42 C ATOM 1394 CD GLU A 94 -0.631 0.211 4.354 1.00 23.41 C ATOM 1395 OE1 GLU A 94 0.090 0.826 5.169 1.00 22.54 O ATOM 1396 OE2 GLU A 94 -1.779 -0.189 4.637 1.00 13.03 O ATOM 0 H GLU A 94 1.230 -0.819 1.200 1.00 0.25 H new ATOM 0 HA GLU A 94 -0.405 1.239 0.275 1.00 31.24 H new ATOM 0 HB2 GLU A 94 1.319 1.546 2.727 1.00 21.52 H new ATOM 0 HB3 GLU A 94 -0.345 2.037 2.478 1.00 21.52 H new ATOM 0 HG2 GLU A 94 -0.889 -0.489 2.351 1.00 72.42 H new ATOM 0 HG3 GLU A 94 0.718 -0.746 3.000 1.00 72.42 H new ATOM 1403 N LEU A 95 2.814 1.962 0.456 1.00 33.32 N ATOM 1404 CA LEU A 95 3.833 2.901 0.008 1.00 71.30 C ATOM 1405 C LEU A 95 3.831 3.023 -1.511 1.00 41.24 C ATOM 1406 O LEU A 95 3.866 4.127 -2.044 1.00 31.22 O ATOM 1407 CB LEU A 95 5.220 2.473 0.488 1.00 71.01 C ATOM 1408 CG LEU A 95 5.428 2.496 2.001 1.00 72.24 C ATOM 1409 CD1 LEU A 95 6.849 2.086 2.338 1.00 54.22 C ATOM 1410 CD2 LEU A 95 5.122 3.876 2.567 1.00 62.54 C ATOM 0 H LEU A 95 3.181 1.123 0.905 1.00 33.32 H new ATOM 0 HA LEU A 95 3.596 3.873 0.440 1.00 71.30 H new ATOM 0 HB2 LEU A 95 5.415 1.463 0.127 1.00 71.01 H new ATOM 0 HB3 LEU A 95 5.962 3.125 0.027 1.00 71.01 H new ATOM 0 HG LEU A 95 4.740 1.784 2.456 1.00 72.24 H new ATOM 0 HD11 LEU A 95 6.987 2.106 3.419 1.00 54.22 H new ATOM 0 HD12 LEU A 95 7.035 1.078 1.967 1.00 54.22 H new ATOM 0 HD13 LEU A 95 7.548 2.779 1.870 1.00 54.22 H new ATOM 0 HD21 LEU A 95 5.277 3.869 3.646 1.00 62.54 H new ATOM 0 HD22 LEU A 95 5.784 4.612 2.110 1.00 62.54 H new ATOM 0 HD23 LEU A 95 4.086 4.136 2.351 1.00 62.54 H new ATOM 1422 N SER A 96 3.801 1.883 -2.197 1.00 74.13 N ATOM 1423 CA SER A 96 3.727 1.858 -3.655 1.00 30.02 C ATOM 1424 C SER A 96 2.566 2.715 -4.164 1.00 4.41 C ATOM 1425 O SER A 96 2.715 3.454 -5.137 1.00 50.01 O ATOM 1426 CB SER A 96 3.577 0.416 -4.148 1.00 73.34 C ATOM 1427 OG SER A 96 4.678 -0.377 -3.733 1.00 32.34 O ATOM 0 H SER A 96 3.827 0.960 -1.763 1.00 74.13 H new ATOM 0 HA SER A 96 4.653 2.277 -4.050 1.00 30.02 H new ATOM 0 HB2 SER A 96 2.651 -0.010 -3.762 1.00 73.34 H new ATOM 0 HB3 SER A 96 3.505 0.405 -5.236 1.00 73.34 H new ATOM 0 HG SER A 96 4.587 -0.590 -2.781 1.00 32.34 H new ATOM 1433 N LEU A 97 1.421 2.627 -3.491 1.00 21.02 N ATOM 1434 CA LEU A 97 0.248 3.423 -3.853 1.00 70.31 C ATOM 1435 C LEU A 97 0.574 4.914 -3.827 1.00 15.24 C ATOM 1436 O LEU A 97 0.269 5.654 -4.767 1.00 61.32 O ATOM 1437 CB LEU A 97 -0.908 3.147 -2.881 1.00 51.13 C ATOM 1438 CG LEU A 97 -1.346 1.686 -2.767 1.00 63.42 C ATOM 1439 CD1 LEU A 97 -2.455 1.545 -1.738 1.00 74.52 C ATOM 1440 CD2 LEU A 97 -1.806 1.164 -4.117 1.00 13.33 C ATOM 0 H LEU A 97 1.279 2.011 -2.690 1.00 21.02 H new ATOM 0 HA LEU A 97 -0.047 3.138 -4.863 1.00 70.31 H new ATOM 0 HB2 LEU A 97 -0.617 3.498 -1.891 1.00 51.13 H new ATOM 0 HB3 LEU A 97 -1.768 3.742 -3.190 1.00 51.13 H new ATOM 0 HG LEU A 97 -0.492 1.093 -2.440 1.00 63.42 H new ATOM 0 HD11 LEU A 97 -2.756 0.500 -1.668 1.00 74.52 H new ATOM 0 HD12 LEU A 97 -2.095 1.885 -0.767 1.00 74.52 H new ATOM 0 HD13 LEU A 97 -3.310 2.149 -2.040 1.00 74.52 H new ATOM 0 HD21 LEU A 97 -2.114 0.123 -4.019 1.00 13.33 H new ATOM 0 HD22 LEU A 97 -2.648 1.760 -4.470 1.00 13.33 H new ATOM 0 HD23 LEU A 97 -0.987 1.234 -4.832 1.00 13.33 H new ATOM 1452 N ARG A 98 1.214 5.334 -2.746 1.00 74.32 N ATOM 1453 CA ARG A 98 1.506 6.744 -2.509 1.00 54.42 C ATOM 1454 C ARG A 98 2.689 7.219 -3.350 1.00 1.15 C ATOM 1455 O ARG A 98 2.728 8.367 -3.791 1.00 24.24 O ATOM 1456 CB ARG A 98 1.789 6.962 -1.023 1.00 55.51 C ATOM 1457 CG ARG A 98 0.633 6.547 -0.129 1.00 74.42 C ATOM 1458 CD ARG A 98 1.055 6.454 1.325 1.00 13.30 C ATOM 1459 NE ARG A 98 -0.025 5.949 2.172 1.00 4.30 N ATOM 1460 CZ ARG A 98 0.129 5.032 3.125 1.00 11.32 C ATOM 1461 NH1 ARG A 98 1.324 4.507 3.364 1.00 65.04 N ATOM 1462 NH2 ARG A 98 -0.923 4.647 3.836 1.00 31.03 N ATOM 0 H ARG A 98 1.546 4.711 -2.009 1.00 74.32 H new ATOM 0 HA ARG A 98 0.637 7.331 -2.806 1.00 54.42 H new ATOM 0 HB2 ARG A 98 2.678 6.398 -0.742 1.00 55.51 H new ATOM 0 HB3 ARG A 98 2.012 8.015 -0.852 1.00 55.51 H new ATOM 0 HG2 ARG A 98 -0.180 7.267 -0.227 1.00 74.42 H new ATOM 0 HG3 ARG A 98 0.246 5.583 -0.458 1.00 74.42 H new ATOM 0 HD2 ARG A 98 1.921 5.798 1.411 1.00 13.30 H new ATOM 0 HD3 ARG A 98 1.364 7.438 1.678 1.00 13.30 H new ATOM 0 HE ARG A 98 -0.961 6.325 2.022 1.00 4.30 H new ATOM 0 HH11 ARG A 98 2.131 4.806 2.816 1.00 65.04 H new ATOM 0 HH12 ARG A 98 1.436 3.805 4.095 1.00 65.04 H new ATOM 0 HH21 ARG A 98 -1.840 5.053 3.650 1.00 31.03 H new ATOM 0 HH22 ARG A 98 -0.815 3.945 4.568 1.00 31.03 H new ATOM 1476 N SER A 99 3.643 6.328 -3.584 1.00 52.23 N ATOM 1477 CA SER A 99 4.858 6.681 -4.306 1.00 62.14 C ATOM 1478 C SER A 99 4.613 6.733 -5.811 1.00 2.02 C ATOM 1479 O SER A 99 5.176 7.574 -6.509 1.00 12.34 O ATOM 1480 CB SER A 99 5.971 5.682 -3.980 1.00 2.01 C ATOM 1481 OG SER A 99 6.169 5.596 -2.576 1.00 35.41 O ATOM 0 H SER A 99 3.599 5.354 -3.284 1.00 52.23 H new ATOM 0 HA SER A 99 5.167 7.676 -3.985 1.00 62.14 H new ATOM 0 HB2 SER A 99 5.714 4.700 -4.377 1.00 2.01 H new ATOM 0 HB3 SER A 99 6.897 5.990 -4.465 1.00 2.01 H new ATOM 0 HG SER A 99 5.431 5.093 -2.172 1.00 35.41 H new ATOM 1487 N LEU A 100 3.754 5.850 -6.304 1.00 41.52 N ATOM 1488 CA LEU A 100 3.448 5.794 -7.730 1.00 3.21 C ATOM 1489 C LEU A 100 2.641 7.015 -8.158 1.00 33.01 C ATOM 1490 O LEU A 100 2.562 7.337 -9.343 1.00 32.22 O ATOM 1491 CB LEU A 100 2.680 4.515 -8.049 1.00 34.33 C ATOM 1492 CG LEU A 100 2.428 4.250 -9.535 1.00 0.11 C ATOM 1493 CD1 LEU A 100 3.744 4.095 -10.283 1.00 11.33 C ATOM 1494 CD2 LEU A 100 1.562 3.012 -9.717 1.00 74.54 C ATOM 0 H LEU A 100 3.256 5.162 -5.739 1.00 41.52 H new ATOM 0 HA LEU A 100 4.386 5.793 -8.285 1.00 3.21 H new ATOM 0 HB2 LEU A 100 3.230 3.669 -7.635 1.00 34.33 H new ATOM 0 HB3 LEU A 100 1.719 4.552 -7.536 1.00 34.33 H new ATOM 0 HG LEU A 100 1.897 5.106 -9.950 1.00 0.11 H new ATOM 0 HD11 LEU A 100 3.543 3.907 -11.338 1.00 11.33 H new ATOM 0 HD12 LEU A 100 4.330 5.009 -10.182 1.00 11.33 H new ATOM 0 HD13 LEU A 100 4.303 3.258 -9.866 1.00 11.33 H new ATOM 0 HD21 LEU A 100 1.393 2.839 -10.780 1.00 74.54 H new ATOM 0 HD22 LEU A 100 2.067 2.148 -9.284 1.00 74.54 H new ATOM 0 HD23 LEU A 100 0.605 3.161 -9.217 1.00 74.54 H new