USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=20 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 28 CYS SG : rot 14:sc= 0.0243 USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot -170:sc= -1.63 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -104:sc= 1.31 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0655 USER MOD Single : A 44 SER OG : rot 76:sc= 0.162 USER MOD Single : A 46 MET CE :methyl 142:sc= -1.21 (180deg=-2.49) USER MOD Single : A 47 THR OG1 : rot 65:sc= 0.332 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc=-0.000208 (180deg=-0.102) USER MOD Single : A 57 SER OG : rot -40:sc= 0.185 USER MOD Single : A 58 SER OG : rot 180:sc= 0 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+ -173:sc= 0.712 (180deg=0.692) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= -0.0462 USER MOD Single : A 87 GLN : amide:sc= 0.876 K(o=0.88,f=0) USER MOD Single : A 90 MET CE :methyl -131:sc= -2.05! (180deg=-2.91!) USER MOD Single : A 96 SER OG : rot 98:sc= 1.31 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 377 N ASN A 27 -2.141 -4.627 10.349 1.00 12.45 N ATOM 378 CA ASN A 27 -2.878 -5.812 9.908 1.00 74.22 C ATOM 379 C ASN A 27 -2.040 -6.631 8.932 1.00 63.31 C ATOM 380 O ASN A 27 -0.843 -6.388 8.777 1.00 74.45 O ATOM 381 CB ASN A 27 -4.194 -5.404 9.226 1.00 64.51 C ATOM 382 CG ASN A 27 -5.346 -5.206 10.197 1.00 74.33 C ATOM 383 OD1 ASN A 27 -6.066 -6.146 10.519 1.00 63.25 O ATOM 384 ND2 ASN A 27 -5.544 -3.982 10.658 1.00 11.33 N ATOM 0 HA ASN A 27 -3.100 -6.417 10.787 1.00 74.22 H new ATOM 0 HB2 ASN A 27 -4.035 -4.480 8.671 1.00 64.51 H new ATOM 0 HB3 ASN A 27 -4.469 -6.169 8.500 1.00 64.51 H new ATOM 0 HD21 ASN A 27 -6.314 -3.798 11.301 1.00 11.33 H new ATOM 0 HD22 ASN A 27 -4.927 -3.223 10.370 1.00 11.33 H new ATOM 391 N CYS A 28 -2.665 -7.625 8.311 1.00 64.42 N ATOM 392 CA CYS A 28 -2.078 -8.316 7.169 1.00 43.54 C ATOM 393 C CYS A 28 -2.890 -7.963 5.928 1.00 45.55 C ATOM 394 O CYS A 28 -2.533 -8.302 4.799 1.00 32.21 O ATOM 395 CB CYS A 28 -2.090 -9.833 7.380 1.00 60.12 C ATOM 396 SG CYS A 28 -3.746 -10.569 7.372 1.00 54.43 S ATOM 0 H CYS A 28 -3.585 -7.972 8.582 1.00 64.42 H new ATOM 0 HA CYS A 28 -1.041 -8.003 7.051 1.00 43.54 H new ATOM 0 HB2 CYS A 28 -1.492 -10.302 6.599 1.00 60.12 H new ATOM 0 HB3 CYS A 28 -1.608 -10.060 8.331 1.00 60.12 H new ATOM 0 HG CYS A 28 -4.600 -9.710 6.899 1.00 54.43 H new ATOM 402 N THR A 29 -3.999 -7.280 6.172 1.00 21.44 N ATOM 403 CA THR A 29 -4.915 -6.886 5.122 1.00 63.22 C ATOM 404 C THR A 29 -4.834 -5.386 4.883 1.00 72.53 C ATOM 405 O THR A 29 -4.988 -4.586 5.806 1.00 25.41 O ATOM 406 CB THR A 29 -6.362 -7.269 5.499 1.00 72.41 C ATOM 407 OG1 THR A 29 -6.395 -8.617 5.989 1.00 73.22 O ATOM 408 CG2 THR A 29 -7.293 -7.142 4.304 1.00 64.31 C ATOM 0 H THR A 29 -4.286 -6.985 7.105 1.00 21.44 H new ATOM 0 HA THR A 29 -4.632 -7.410 4.209 1.00 63.22 H new ATOM 0 HB THR A 29 -6.702 -6.584 6.275 1.00 72.41 H new ATOM 0 HG1 THR A 29 -7.315 -8.855 6.229 1.00 73.22 H new ATOM 0 HG21 THR A 29 -8.305 -7.418 4.600 1.00 64.31 H new ATOM 0 HG22 THR A 29 -7.288 -6.112 3.947 1.00 64.31 H new ATOM 0 HG23 THR A 29 -6.955 -7.804 3.507 1.00 64.31 H new ATOM 416 N SER A 30 -4.593 -5.014 3.643 1.00 0.11 N ATOM 417 CA SER A 30 -4.503 -3.620 3.279 1.00 15.25 C ATOM 418 C SER A 30 -5.823 -3.134 2.708 1.00 2.22 C ATOM 419 O SER A 30 -6.177 -3.447 1.573 1.00 31.41 O ATOM 420 CB SER A 30 -3.384 -3.416 2.260 1.00 73.51 C ATOM 421 OG SER A 30 -2.120 -3.716 2.823 1.00 74.42 O ATOM 0 H SER A 30 -4.456 -5.663 2.868 1.00 0.11 H new ATOM 0 HA SER A 30 -4.278 -3.041 4.174 1.00 15.25 H new ATOM 0 HB2 SER A 30 -3.559 -4.051 1.392 1.00 73.51 H new ATOM 0 HB3 SER A 30 -3.393 -2.385 1.907 1.00 73.51 H new ATOM 0 HG SER A 30 -1.412 -3.430 2.209 1.00 74.42 H new ATOM 427 N LYS A 31 -6.561 -2.397 3.518 1.00 61.41 N ATOM 428 CA LYS A 31 -7.793 -1.781 3.072 1.00 51.32 C ATOM 429 C LYS A 31 -7.528 -0.336 2.712 1.00 31.33 C ATOM 430 O LYS A 31 -7.194 0.495 3.559 1.00 34.32 O ATOM 431 CB LYS A 31 -8.917 -1.897 4.117 1.00 1.02 C ATOM 432 CG LYS A 31 -8.621 -1.273 5.479 1.00 20.25 C ATOM 433 CD LYS A 31 -7.509 -2.012 6.197 1.00 34.13 C ATOM 434 CE LYS A 31 -7.452 -1.665 7.672 1.00 2.02 C ATOM 435 NZ LYS A 31 -7.073 -0.246 7.896 1.00 22.22 N ATOM 0 H LYS A 31 -6.325 -2.211 4.493 1.00 61.41 H new ATOM 0 HA LYS A 31 -8.142 -2.317 2.189 1.00 51.32 H new ATOM 0 HB2 LYS A 31 -9.815 -1.431 3.711 1.00 1.02 H new ATOM 0 HB3 LYS A 31 -9.145 -2.953 4.263 1.00 1.02 H new ATOM 0 HG2 LYS A 31 -8.340 -0.228 5.349 1.00 20.25 H new ATOM 0 HG3 LYS A 31 -9.523 -1.287 6.091 1.00 20.25 H new ATOM 0 HD2 LYS A 31 -7.656 -3.086 6.083 1.00 34.13 H new ATOM 0 HD3 LYS A 31 -6.554 -1.770 5.731 1.00 34.13 H new ATOM 0 HE2 LYS A 31 -8.424 -1.857 8.127 1.00 2.02 H new ATOM 0 HE3 LYS A 31 -6.733 -2.315 8.170 1.00 2.02 H new ATOM 0 HZ1 LYS A 31 -7.046 -0.051 8.917 1.00 22.22 H new ATOM 0 HZ2 LYS A 31 -6.135 -0.068 7.484 1.00 22.22 H new ATOM 0 HZ3 LYS A 31 -7.773 0.376 7.443 1.00 22.22 H new ATOM 449 N PHE A 32 -7.644 -0.062 1.442 1.00 22.42 N ATOM 450 CA PHE A 32 -7.352 1.252 0.907 1.00 21.35 C ATOM 451 C PHE A 32 -8.593 1.841 0.253 1.00 71.44 C ATOM 452 O PHE A 32 -9.136 1.276 -0.699 1.00 22.11 O ATOM 453 CB PHE A 32 -6.197 1.160 -0.093 1.00 62.03 C ATOM 454 CG PHE A 32 -5.727 2.487 -0.617 1.00 3.53 C ATOM 455 CD1 PHE A 32 -5.310 3.485 0.252 1.00 63.31 C ATOM 456 CD2 PHE A 32 -5.696 2.735 -1.980 1.00 50.31 C ATOM 457 CE1 PHE A 32 -4.874 4.704 -0.229 1.00 35.12 C ATOM 458 CE2 PHE A 32 -5.260 3.952 -2.465 1.00 74.51 C ATOM 459 CZ PHE A 32 -4.848 4.937 -1.589 1.00 62.23 C ATOM 0 H PHE A 32 -7.944 -0.741 0.742 1.00 22.42 H new ATOM 0 HA PHE A 32 -7.053 1.913 1.720 1.00 21.35 H new ATOM 0 HB2 PHE A 32 -5.358 0.653 0.384 1.00 62.03 H new ATOM 0 HB3 PHE A 32 -6.508 0.540 -0.934 1.00 62.03 H new ATOM 0 HD1 PHE A 32 -5.327 3.307 1.317 1.00 63.31 H new ATOM 0 HD2 PHE A 32 -6.016 1.968 -2.670 1.00 50.31 H new ATOM 0 HE1 PHE A 32 -4.554 5.474 0.458 1.00 35.12 H new ATOM 0 HE2 PHE A 32 -5.241 4.134 -3.529 1.00 74.51 H new ATOM 0 HZ PHE A 32 -4.506 5.889 -1.968 1.00 62.23 H new ATOM 469 N SER A 33 -9.045 2.967 0.782 1.00 33.21 N ATOM 470 CA SER A 33 -10.239 3.623 0.278 1.00 32.34 C ATOM 471 C SER A 33 -9.878 4.938 -0.408 1.00 13.24 C ATOM 472 O SER A 33 -9.123 5.750 0.138 1.00 23.11 O ATOM 473 CB SER A 33 -11.210 3.882 1.433 1.00 23.35 C ATOM 474 OG SER A 33 -11.238 2.786 2.335 1.00 63.22 O ATOM 0 H SER A 33 -8.600 3.447 1.564 1.00 33.21 H new ATOM 0 HA SER A 33 -10.716 2.972 -0.455 1.00 32.34 H new ATOM 0 HB2 SER A 33 -10.914 4.786 1.965 1.00 23.35 H new ATOM 0 HB3 SER A 33 -12.211 4.057 1.038 1.00 23.35 H new ATOM 0 HG SER A 33 -12.055 2.265 2.191 1.00 63.22 H new ATOM 480 N ARG A 34 -10.402 5.136 -1.607 1.00 51.24 N ATOM 481 CA ARG A 34 -10.145 6.349 -2.368 1.00 50.01 C ATOM 482 C ARG A 34 -11.424 6.857 -3.017 1.00 71.22 C ATOM 483 O ARG A 34 -12.264 6.070 -3.442 1.00 30.24 O ATOM 484 CB ARG A 34 -9.089 6.089 -3.440 1.00 21.20 C ATOM 485 CG ARG A 34 -7.654 6.253 -2.963 1.00 62.31 C ATOM 486 CD ARG A 34 -7.226 7.716 -2.944 1.00 40.52 C ATOM 487 NE ARG A 34 -7.877 8.486 -1.883 1.00 32.03 N ATOM 488 CZ ARG A 34 -8.534 9.629 -2.083 1.00 12.54 C ATOM 489 NH1 ARG A 34 -8.701 10.098 -3.316 1.00 61.24 N ATOM 490 NH2 ARG A 34 -9.039 10.293 -1.053 1.00 34.21 N ATOM 0 H ARG A 34 -11.012 4.467 -2.077 1.00 51.24 H new ATOM 0 HA ARG A 34 -9.775 7.110 -1.681 1.00 50.01 H new ATOM 0 HB2 ARG A 34 -9.218 5.076 -3.822 1.00 21.20 H new ATOM 0 HB3 ARG A 34 -9.261 6.769 -4.275 1.00 21.20 H new ATOM 0 HG2 ARG A 34 -7.553 5.832 -1.963 1.00 62.31 H new ATOM 0 HG3 ARG A 34 -6.988 5.688 -3.615 1.00 62.31 H new ATOM 0 HD2 ARG A 34 -6.145 7.771 -2.815 1.00 40.52 H new ATOM 0 HD3 ARG A 34 -7.456 8.169 -3.908 1.00 40.52 H new ATOM 0 HE ARG A 34 -7.825 8.125 -0.930 1.00 32.03 H new ATOM 0 HH11 ARG A 34 -8.326 9.583 -4.113 1.00 61.24 H new ATOM 0 HH12 ARG A 34 -9.204 10.973 -3.465 1.00 61.24 H new ATOM 0 HH21 ARG A 34 -8.925 9.930 -0.107 1.00 34.21 H new ATOM 0 HH22 ARG A 34 -9.541 11.167 -1.207 1.00 34.21 H new ATOM 504 N PHE A 35 -11.561 8.169 -3.093 1.00 33.15 N ATOM 505 CA PHE A 35 -12.737 8.779 -3.694 1.00 40.13 C ATOM 506 C PHE A 35 -12.468 9.150 -5.148 1.00 13.42 C ATOM 507 O PHE A 35 -11.386 9.633 -5.482 1.00 64.53 O ATOM 508 CB PHE A 35 -13.157 10.024 -2.911 1.00 32.04 C ATOM 509 CG PHE A 35 -13.551 9.748 -1.487 1.00 53.50 C ATOM 510 CD1 PHE A 35 -14.784 9.191 -1.190 1.00 34.22 C ATOM 511 CD2 PHE A 35 -12.690 10.056 -0.444 1.00 31.32 C ATOM 512 CE1 PHE A 35 -15.154 8.950 0.121 1.00 44.44 C ATOM 513 CE2 PHE A 35 -13.054 9.814 0.867 1.00 73.41 C ATOM 514 CZ PHE A 35 -14.285 9.260 1.149 1.00 23.02 C ATOM 0 H PHE A 35 -10.871 8.835 -2.745 1.00 33.15 H new ATOM 0 HA PHE A 35 -13.548 8.051 -3.661 1.00 40.13 H new ATOM 0 HB2 PHE A 35 -12.334 10.739 -2.917 1.00 32.04 H new ATOM 0 HB3 PHE A 35 -13.995 10.497 -3.423 1.00 32.04 H new ATOM 0 HD1 PHE A 35 -15.464 8.942 -1.991 1.00 34.22 H new ATOM 0 HD2 PHE A 35 -11.725 10.490 -0.659 1.00 31.32 H new ATOM 0 HE1 PHE A 35 -16.120 8.520 0.340 1.00 44.44 H new ATOM 0 HE2 PHE A 35 -12.375 10.059 1.670 1.00 73.41 H new ATOM 0 HZ PHE A 35 -14.569 9.069 2.173 1.00 23.02 H new ATOM 524 N PHE A 36 -13.451 8.910 -6.005 1.00 52.44 N ATOM 525 CA PHE A 36 -13.354 9.254 -7.417 1.00 54.54 C ATOM 526 C PHE A 36 -14.664 9.867 -7.889 1.00 54.44 C ATOM 527 O PHE A 36 -15.629 9.927 -7.130 1.00 71.22 O ATOM 528 CB PHE A 36 -13.022 8.019 -8.259 1.00 1.10 C ATOM 529 CG PHE A 36 -11.648 7.470 -8.006 1.00 72.04 C ATOM 530 CD1 PHE A 36 -10.541 8.043 -8.610 1.00 53.33 C ATOM 531 CD2 PHE A 36 -11.464 6.381 -7.168 1.00 12.21 C ATOM 532 CE1 PHE A 36 -9.274 7.543 -8.377 1.00 21.00 C ATOM 533 CE2 PHE A 36 -10.201 5.878 -6.933 1.00 61.04 C ATOM 534 CZ PHE A 36 -9.106 6.459 -7.540 1.00 43.31 C ATOM 0 H PHE A 36 -14.335 8.473 -5.743 1.00 52.44 H new ATOM 0 HA PHE A 36 -12.549 9.979 -7.541 1.00 54.54 H new ATOM 0 HB2 PHE A 36 -13.758 7.242 -8.054 1.00 1.10 H new ATOM 0 HB3 PHE A 36 -13.113 8.274 -9.315 1.00 1.10 H new ATOM 0 HD1 PHE A 36 -10.669 8.889 -9.269 1.00 53.33 H new ATOM 0 HD2 PHE A 36 -12.319 5.921 -6.694 1.00 12.21 H new ATOM 0 HE1 PHE A 36 -8.417 8.000 -8.849 1.00 21.00 H new ATOM 0 HE2 PHE A 36 -10.069 5.031 -6.275 1.00 61.04 H new ATOM 0 HZ PHE A 36 -8.117 6.065 -7.360 1.00 43.31 H new ATOM 544 N ALA A 37 -14.693 10.327 -9.131 1.00 71.25 N ATOM 545 CA ALA A 37 -15.895 10.929 -9.691 1.00 60.11 C ATOM 546 C ALA A 37 -16.961 9.877 -9.970 1.00 20.04 C ATOM 547 O ALA A 37 -18.084 9.972 -9.478 1.00 23.14 O ATOM 548 CB ALA A 37 -15.560 11.693 -10.960 1.00 74.02 C ATOM 0 H ALA A 37 -13.899 10.295 -9.770 1.00 71.25 H new ATOM 0 HA ALA A 37 -16.297 11.626 -8.955 1.00 60.11 H new ATOM 0 HB1 ALA A 37 -16.468 12.138 -11.367 1.00 74.02 H new ATOM 0 HB2 ALA A 37 -14.841 12.480 -10.732 1.00 74.02 H new ATOM 0 HB3 ALA A 37 -15.130 11.010 -11.693 1.00 74.02 H new ATOM 554 N THR A 38 -16.608 8.870 -10.757 1.00 32.40 N ATOM 555 CA THR A 38 -17.561 7.837 -11.127 1.00 22.43 C ATOM 556 C THR A 38 -17.021 6.447 -10.834 1.00 53.14 C ATOM 557 O THR A 38 -15.812 6.256 -10.703 1.00 62.42 O ATOM 558 CB THR A 38 -17.946 7.937 -12.610 1.00 21.34 C ATOM 559 OG1 THR A 38 -16.971 8.718 -13.319 1.00 23.45 O ATOM 560 CG2 THR A 38 -19.323 8.558 -12.766 1.00 0.24 C ATOM 0 H THR A 38 -15.674 8.748 -11.149 1.00 32.40 H new ATOM 0 HA THR A 38 -18.451 7.999 -10.520 1.00 22.43 H new ATOM 0 HB THR A 38 -17.972 6.931 -13.029 1.00 21.34 H new ATOM 0 HG1 THR A 38 -17.223 8.776 -14.264 1.00 23.45 H new ATOM 0 HG21 THR A 38 -19.577 8.620 -13.824 1.00 0.24 H new ATOM 0 HG22 THR A 38 -20.060 7.942 -12.252 1.00 0.24 H new ATOM 0 HG23 THR A 38 -19.322 9.559 -12.334 1.00 0.24 H new ATOM 568 N ARG A 39 -17.929 5.482 -10.732 1.00 65.30 N ATOM 569 CA ARG A 39 -17.568 4.104 -10.418 1.00 42.44 C ATOM 570 C ARG A 39 -16.643 3.511 -11.477 1.00 3.23 C ATOM 571 O ARG A 39 -15.854 2.618 -11.187 1.00 40.20 O ATOM 572 CB ARG A 39 -18.830 3.253 -10.266 1.00 54.20 C ATOM 573 CG ARG A 39 -19.753 3.300 -11.467 1.00 3.40 C ATOM 574 CD ARG A 39 -21.120 2.745 -11.117 1.00 52.10 C ATOM 575 NE ARG A 39 -22.049 2.813 -12.243 1.00 14.21 N ATOM 576 CZ ARG A 39 -23.140 3.582 -12.264 1.00 32.10 C ATOM 577 NH1 ARG A 39 -23.370 4.448 -11.282 1.00 15.34 N ATOM 578 NH2 ARG A 39 -23.982 3.507 -13.289 1.00 62.13 N ATOM 0 H ARG A 39 -18.929 5.631 -10.864 1.00 65.30 H new ATOM 0 HA ARG A 39 -17.024 4.104 -9.473 1.00 42.44 H new ATOM 0 HB2 ARG A 39 -18.539 2.218 -10.085 1.00 54.20 H new ATOM 0 HB3 ARG A 39 -19.378 3.589 -9.386 1.00 54.20 H new ATOM 0 HG2 ARG A 39 -19.851 4.328 -11.816 1.00 3.40 H new ATOM 0 HG3 ARG A 39 -19.321 2.725 -12.286 1.00 3.40 H new ATOM 0 HD2 ARG A 39 -21.018 1.709 -10.795 1.00 52.10 H new ATOM 0 HD3 ARG A 39 -21.531 3.302 -10.275 1.00 52.10 H new ATOM 0 HE ARG A 39 -21.852 2.238 -13.062 1.00 14.21 H new ATOM 0 HH11 ARG A 39 -22.711 4.527 -10.507 1.00 15.34 H new ATOM 0 HH12 ARG A 39 -24.205 5.033 -11.303 1.00 15.34 H new ATOM 0 HH21 ARG A 39 -23.794 2.863 -14.057 1.00 62.13 H new ATOM 0 HH22 ARG A 39 -24.816 4.093 -13.308 1.00 62.13 H new ATOM 592 N GLU A 40 -16.734 4.026 -12.697 1.00 63.14 N ATOM 593 CA GLU A 40 -15.840 3.611 -13.770 1.00 30.35 C ATOM 594 C GLU A 40 -14.404 3.970 -13.423 1.00 11.12 C ATOM 595 O GLU A 40 -13.488 3.158 -13.564 1.00 73.01 O ATOM 596 CB GLU A 40 -16.235 4.296 -15.067 1.00 1.51 C ATOM 597 CG GLU A 40 -17.656 4.000 -15.502 1.00 53.31 C ATOM 598 CD GLU A 40 -18.023 4.708 -16.786 1.00 1.14 C ATOM 599 OE1 GLU A 40 -17.536 4.290 -17.857 1.00 71.25 O ATOM 600 OE2 GLU A 40 -18.815 5.672 -16.735 1.00 60.42 O ATOM 0 H GLU A 40 -17.418 4.732 -12.968 1.00 63.14 H new ATOM 0 HA GLU A 40 -15.919 2.531 -13.893 1.00 30.35 H new ATOM 0 HB2 GLU A 40 -16.117 5.373 -14.950 1.00 1.51 H new ATOM 0 HB3 GLU A 40 -15.550 3.984 -15.856 1.00 1.51 H new ATOM 0 HG2 GLU A 40 -17.776 2.925 -15.636 1.00 53.31 H new ATOM 0 HG3 GLU A 40 -18.345 4.302 -14.713 1.00 53.31 H new ATOM 607 N GLU A 41 -14.236 5.195 -12.949 1.00 41.02 N ATOM 608 CA GLU A 41 -12.942 5.698 -12.500 1.00 44.41 C ATOM 609 C GLU A 41 -12.371 4.802 -11.404 1.00 3.22 C ATOM 610 O GLU A 41 -11.157 4.642 -11.277 1.00 23.35 O ATOM 611 CB GLU A 41 -13.102 7.125 -11.964 1.00 22.42 C ATOM 612 CG GLU A 41 -13.672 8.099 -12.981 1.00 23.02 C ATOM 613 CD GLU A 41 -12.813 8.217 -14.222 1.00 11.21 C ATOM 614 OE1 GLU A 41 -11.792 8.930 -14.175 1.00 13.23 O ATOM 615 OE2 GLU A 41 -13.160 7.598 -15.249 1.00 4.22 O ATOM 0 H GLU A 41 -14.994 5.872 -12.864 1.00 41.02 H new ATOM 0 HA GLU A 41 -12.255 5.699 -13.346 1.00 44.41 H new ATOM 0 HB2 GLU A 41 -13.752 7.104 -11.090 1.00 22.42 H new ATOM 0 HB3 GLU A 41 -12.130 7.489 -11.630 1.00 22.42 H new ATOM 0 HG2 GLU A 41 -14.673 7.776 -13.266 1.00 23.02 H new ATOM 0 HG3 GLU A 41 -13.774 9.081 -12.520 1.00 23.02 H new ATOM 622 N ALA A 42 -13.269 4.209 -10.627 1.00 51.12 N ATOM 623 CA ALA A 42 -12.881 3.348 -9.520 1.00 51.41 C ATOM 624 C ALA A 42 -12.404 1.990 -10.028 1.00 72.01 C ATOM 625 O ALA A 42 -11.457 1.413 -9.492 1.00 24.01 O ATOM 626 CB ALA A 42 -14.038 3.185 -8.546 1.00 14.31 C ATOM 0 H ALA A 42 -14.277 4.311 -10.746 1.00 51.12 H new ATOM 0 HA ALA A 42 -12.051 3.819 -8.993 1.00 51.41 H new ATOM 0 HB1 ALA A 42 -13.733 2.538 -7.723 1.00 14.31 H new ATOM 0 HB2 ALA A 42 -14.324 4.161 -8.154 1.00 14.31 H new ATOM 0 HB3 ALA A 42 -14.888 2.739 -9.062 1.00 14.31 H new ATOM 632 N GLU A 43 -13.054 1.490 -11.074 1.00 22.22 N ATOM 633 CA GLU A 43 -12.661 0.217 -11.674 1.00 52.31 C ATOM 634 C GLU A 43 -11.284 0.340 -12.312 1.00 33.43 C ATOM 635 O GLU A 43 -10.451 -0.556 -12.184 1.00 3.10 O ATOM 636 CB GLU A 43 -13.670 -0.242 -12.728 1.00 12.13 C ATOM 637 CG GLU A 43 -15.099 -0.318 -12.221 1.00 12.31 C ATOM 638 CD GLU A 43 -16.007 -1.078 -13.167 1.00 24.15 C ATOM 639 OE1 GLU A 43 -15.873 -0.904 -14.398 1.00 13.13 O ATOM 640 OE2 GLU A 43 -16.850 -1.866 -12.686 1.00 24.43 O ATOM 0 H GLU A 43 -13.851 1.942 -11.523 1.00 22.22 H new ATOM 0 HA GLU A 43 -12.633 -0.527 -10.878 1.00 52.31 H new ATOM 0 HB2 GLU A 43 -13.632 0.442 -13.576 1.00 12.13 H new ATOM 0 HB3 GLU A 43 -13.373 -1.224 -13.097 1.00 12.13 H new ATOM 0 HG2 GLU A 43 -15.110 -0.801 -11.244 1.00 12.31 H new ATOM 0 HG3 GLU A 43 -15.487 0.691 -12.082 1.00 12.31 H new ATOM 647 N SER A 44 -11.051 1.460 -12.984 1.00 25.44 N ATOM 648 CA SER A 44 -9.764 1.726 -13.615 1.00 33.01 C ATOM 649 C SER A 44 -8.651 1.776 -12.574 1.00 31.30 C ATOM 650 O SER A 44 -7.504 1.420 -12.855 1.00 14.21 O ATOM 651 CB SER A 44 -9.826 3.040 -14.389 1.00 33.33 C ATOM 652 OG SER A 44 -10.884 3.015 -15.331 1.00 51.44 O ATOM 0 H SER A 44 -11.740 2.202 -13.107 1.00 25.44 H new ATOM 0 HA SER A 44 -9.543 0.915 -14.309 1.00 33.01 H new ATOM 0 HB2 SER A 44 -9.968 3.870 -13.697 1.00 33.33 H new ATOM 0 HB3 SER A 44 -8.879 3.211 -14.902 1.00 33.33 H new ATOM 0 HG SER A 44 -11.739 3.135 -14.866 1.00 51.44 H new ATOM 658 N PHE A 45 -8.998 2.205 -11.365 1.00 55.23 N ATOM 659 CA PHE A 45 -8.042 2.260 -10.272 1.00 1.33 C ATOM 660 C PHE A 45 -7.663 0.846 -9.843 1.00 25.13 C ATOM 661 O PHE A 45 -6.498 0.556 -9.579 1.00 61.11 O ATOM 662 CB PHE A 45 -8.631 3.046 -9.096 1.00 62.41 C ATOM 663 CG PHE A 45 -7.667 3.288 -7.969 1.00 62.23 C ATOM 664 CD1 PHE A 45 -6.578 4.128 -8.140 1.00 74.22 C ATOM 665 CD2 PHE A 45 -7.859 2.687 -6.735 1.00 53.32 C ATOM 666 CE1 PHE A 45 -5.693 4.358 -7.104 1.00 35.14 C ATOM 667 CE2 PHE A 45 -6.978 2.915 -5.694 1.00 5.24 C ATOM 668 CZ PHE A 45 -5.896 3.753 -5.878 1.00 23.40 C ATOM 0 H PHE A 45 -9.937 2.520 -11.120 1.00 55.23 H new ATOM 0 HA PHE A 45 -7.141 2.773 -10.609 1.00 1.33 H new ATOM 0 HB2 PHE A 45 -8.993 4.007 -9.461 1.00 62.41 H new ATOM 0 HB3 PHE A 45 -9.495 2.506 -8.710 1.00 62.41 H new ATOM 0 HD1 PHE A 45 -6.419 4.608 -9.094 1.00 74.22 H new ATOM 0 HD2 PHE A 45 -8.706 2.034 -6.585 1.00 53.32 H new ATOM 0 HE1 PHE A 45 -4.844 5.009 -7.252 1.00 35.14 H new ATOM 0 HE2 PHE A 45 -7.136 2.438 -4.738 1.00 5.24 H new ATOM 0 HZ PHE A 45 -5.209 3.935 -5.065 1.00 23.40 H new ATOM 678 N MET A 46 -8.649 -0.038 -9.809 1.00 11.41 N ATOM 679 CA MET A 46 -8.412 -1.430 -9.443 1.00 40.21 C ATOM 680 C MET A 46 -7.555 -2.125 -10.496 1.00 20.05 C ATOM 681 O MET A 46 -6.776 -3.025 -10.184 1.00 24.13 O ATOM 682 CB MET A 46 -9.744 -2.166 -9.266 1.00 45.01 C ATOM 683 CG MET A 46 -9.595 -3.627 -8.861 1.00 33.22 C ATOM 684 SD MET A 46 -8.559 -3.848 -7.399 1.00 31.51 S ATOM 685 CE MET A 46 -9.370 -2.747 -6.244 1.00 72.12 C ATOM 0 H MET A 46 -9.620 0.182 -10.030 1.00 11.41 H new ATOM 0 HA MET A 46 -7.873 -1.451 -8.496 1.00 40.21 H new ATOM 0 HB2 MET A 46 -10.336 -1.649 -8.511 1.00 45.01 H new ATOM 0 HB3 MET A 46 -10.303 -2.114 -10.200 1.00 45.01 H new ATOM 0 HG2 MET A 46 -10.582 -4.048 -8.668 1.00 33.22 H new ATOM 0 HG3 MET A 46 -9.167 -4.187 -9.692 1.00 33.22 H new ATOM 0 HE1 MET A 46 -9.364 -3.194 -5.250 1.00 72.12 H new ATOM 0 HE2 MET A 46 -8.841 -1.794 -6.217 1.00 72.12 H new ATOM 0 HE3 MET A 46 -10.400 -2.582 -6.561 1.00 72.12 H new ATOM 695 N THR A 47 -7.687 -1.680 -11.738 1.00 41.35 N ATOM 696 CA THR A 47 -6.930 -2.247 -12.841 1.00 4.41 C ATOM 697 C THR A 47 -5.423 -2.089 -12.620 1.00 13.32 C ATOM 698 O THR A 47 -4.661 -3.042 -12.802 1.00 31.41 O ATOM 699 CB THR A 47 -7.337 -1.591 -14.171 1.00 44.44 C ATOM 700 OG1 THR A 47 -8.761 -1.659 -14.314 1.00 43.33 O ATOM 701 CG2 THR A 47 -6.675 -2.285 -15.353 1.00 33.52 C ATOM 0 H THR A 47 -8.316 -0.923 -12.006 1.00 41.35 H new ATOM 0 HA THR A 47 -7.160 -3.312 -12.886 1.00 4.41 H new ATOM 0 HB THR A 47 -7.008 -0.552 -14.158 1.00 44.44 H new ATOM 0 HG1 THR A 47 -9.186 -1.119 -13.615 1.00 43.33 H new ATOM 0 HG21 THR A 47 -6.982 -1.799 -16.279 1.00 33.52 H new ATOM 0 HG22 THR A 47 -5.592 -2.222 -15.252 1.00 33.52 H new ATOM 0 HG23 THR A 47 -6.977 -3.332 -15.376 1.00 33.52 H new ATOM 709 N LYS A 48 -4.997 -0.895 -12.207 1.00 70.32 N ATOM 710 CA LYS A 48 -3.578 -0.653 -11.966 1.00 65.53 C ATOM 711 C LYS A 48 -3.121 -1.350 -10.682 1.00 70.53 C ATOM 712 O LYS A 48 -2.008 -1.874 -10.614 1.00 2.45 O ATOM 713 CB LYS A 48 -3.256 0.849 -11.911 1.00 51.44 C ATOM 714 CG LYS A 48 -3.919 1.596 -10.770 1.00 24.52 C ATOM 715 CD LYS A 48 -2.981 2.632 -10.167 1.00 72.54 C ATOM 716 CE LYS A 48 -2.750 3.819 -11.096 1.00 71.21 C ATOM 717 NZ LYS A 48 -3.917 4.742 -11.131 1.00 43.22 N ATOM 0 H LYS A 48 -5.604 -0.094 -12.035 1.00 70.32 H new ATOM 0 HA LYS A 48 -3.028 -1.075 -12.807 1.00 65.53 H new ATOM 0 HB2 LYS A 48 -2.176 0.973 -11.830 1.00 51.44 H new ATOM 0 HB3 LYS A 48 -3.560 1.307 -12.852 1.00 51.44 H new ATOM 0 HG2 LYS A 48 -4.823 2.087 -11.131 1.00 24.52 H new ATOM 0 HG3 LYS A 48 -4.226 0.889 -10.000 1.00 24.52 H new ATOM 0 HD2 LYS A 48 -3.396 2.988 -9.224 1.00 72.54 H new ATOM 0 HD3 LYS A 48 -2.025 2.162 -9.938 1.00 72.54 H new ATOM 0 HE2 LYS A 48 -1.866 4.367 -10.770 1.00 71.21 H new ATOM 0 HE3 LYS A 48 -2.546 3.455 -12.103 1.00 71.21 H new ATOM 0 HZ1 LYS A 48 -3.715 5.533 -11.775 1.00 43.22 H new ATOM 0 HZ2 LYS A 48 -4.756 4.228 -11.467 1.00 43.22 H new ATOM 0 HZ3 LYS A 48 -4.097 5.111 -10.175 1.00 43.22 H new ATOM 731 N LEU A 49 -3.998 -1.376 -9.679 1.00 10.32 N ATOM 732 CA LEU A 49 -3.691 -2.012 -8.398 1.00 1.11 C ATOM 733 C LEU A 49 -3.491 -3.513 -8.564 1.00 52.42 C ATOM 734 O LEU A 49 -2.622 -4.103 -7.924 1.00 52.42 O ATOM 735 CB LEU A 49 -4.802 -1.737 -7.373 1.00 4.11 C ATOM 736 CG LEU A 49 -4.591 -0.504 -6.481 1.00 4.33 C ATOM 737 CD1 LEU A 49 -3.356 -0.677 -5.616 1.00 40.13 C ATOM 738 CD2 LEU A 49 -4.465 0.760 -7.311 1.00 21.35 C ATOM 0 H LEU A 49 -4.929 -0.963 -9.729 1.00 10.32 H new ATOM 0 HA LEU A 49 -2.760 -1.581 -8.029 1.00 1.11 H new ATOM 0 HB2 LEU A 49 -5.744 -1.619 -7.908 1.00 4.11 H new ATOM 0 HB3 LEU A 49 -4.906 -2.613 -6.733 1.00 4.11 H new ATOM 0 HG LEU A 49 -5.466 -0.408 -5.838 1.00 4.33 H new ATOM 0 HD11 LEU A 49 -3.223 0.206 -4.991 1.00 40.13 H new ATOM 0 HD12 LEU A 49 -3.476 -1.555 -4.982 1.00 40.13 H new ATOM 0 HD13 LEU A 49 -2.481 -0.806 -6.253 1.00 40.13 H new ATOM 0 HD21 LEU A 49 -4.317 1.615 -6.651 1.00 21.35 H new ATOM 0 HD22 LEU A 49 -3.613 0.669 -7.985 1.00 21.35 H new ATOM 0 HD23 LEU A 49 -5.375 0.905 -7.894 1.00 21.35 H new ATOM 750 N LYS A 50 -4.301 -4.121 -9.427 1.00 71.44 N ATOM 751 CA LYS A 50 -4.190 -5.540 -9.737 1.00 33.41 C ATOM 752 C LYS A 50 -2.769 -5.912 -10.153 1.00 52.01 C ATOM 753 O LYS A 50 -2.178 -6.851 -9.617 1.00 1.41 O ATOM 754 CB LYS A 50 -5.156 -5.903 -10.863 1.00 73.03 C ATOM 755 CG LYS A 50 -6.052 -7.073 -10.527 1.00 61.41 C ATOM 756 CD LYS A 50 -7.014 -6.719 -9.410 1.00 24.12 C ATOM 757 CE LYS A 50 -7.750 -7.941 -8.902 1.00 62.11 C ATOM 758 NZ LYS A 50 -8.447 -8.677 -9.993 1.00 10.21 N ATOM 0 H LYS A 50 -5.050 -3.644 -9.929 1.00 71.44 H new ATOM 0 HA LYS A 50 -4.441 -6.098 -8.835 1.00 33.41 H new ATOM 0 HB2 LYS A 50 -5.774 -5.036 -11.096 1.00 73.03 H new ATOM 0 HB3 LYS A 50 -4.585 -6.138 -11.761 1.00 73.03 H new ATOM 0 HG2 LYS A 50 -6.612 -7.372 -11.413 1.00 61.41 H new ATOM 0 HG3 LYS A 50 -5.444 -7.928 -10.231 1.00 61.41 H new ATOM 0 HD2 LYS A 50 -6.466 -6.256 -8.589 1.00 24.12 H new ATOM 0 HD3 LYS A 50 -7.733 -5.983 -9.768 1.00 24.12 H new ATOM 0 HE2 LYS A 50 -7.043 -8.609 -8.410 1.00 62.11 H new ATOM 0 HE3 LYS A 50 -8.478 -7.637 -8.150 1.00 62.11 H new ATOM 0 HZ1 LYS A 50 -9.096 -9.377 -9.580 1.00 10.21 H new ATOM 0 HZ2 LYS A 50 -8.987 -8.005 -10.575 1.00 10.21 H new ATOM 0 HZ3 LYS A 50 -7.745 -9.163 -10.587 1.00 10.21 H new ATOM 772 N GLU A 51 -2.226 -5.164 -11.105 1.00 71.50 N ATOM 773 CA GLU A 51 -0.895 -5.445 -11.630 1.00 63.35 C ATOM 774 C GLU A 51 0.173 -5.203 -10.572 1.00 52.32 C ATOM 775 O GLU A 51 1.167 -5.929 -10.501 1.00 73.54 O ATOM 776 CB GLU A 51 -0.619 -4.589 -12.855 1.00 75.40 C ATOM 777 CG GLU A 51 -1.643 -4.787 -13.953 1.00 11.24 C ATOM 778 CD GLU A 51 -1.502 -6.123 -14.657 1.00 4.34 C ATOM 779 OE1 GLU A 51 -0.747 -6.205 -15.646 1.00 3.52 O ATOM 780 OE2 GLU A 51 -2.164 -7.095 -14.234 1.00 1.30 O ATOM 0 H GLU A 51 -2.686 -4.359 -11.529 1.00 71.50 H new ATOM 0 HA GLU A 51 -0.861 -6.496 -11.916 1.00 63.35 H new ATOM 0 HB2 GLU A 51 -0.605 -3.539 -12.563 1.00 75.40 H new ATOM 0 HB3 GLU A 51 0.372 -4.826 -13.242 1.00 75.40 H new ATOM 0 HG2 GLU A 51 -2.644 -4.710 -13.528 1.00 11.24 H new ATOM 0 HG3 GLU A 51 -1.544 -3.985 -14.684 1.00 11.24 H new ATOM 787 N LEU A 52 -0.038 -4.181 -9.752 1.00 72.32 N ATOM 788 CA LEU A 52 0.889 -3.859 -8.672 1.00 72.12 C ATOM 789 C LEU A 52 0.889 -4.958 -7.610 1.00 34.51 C ATOM 790 O LEU A 52 1.943 -5.356 -7.116 1.00 51.24 O ATOM 791 CB LEU A 52 0.519 -2.519 -8.032 1.00 63.13 C ATOM 792 CG LEU A 52 0.593 -1.307 -8.962 1.00 42.40 C ATOM 793 CD1 LEU A 52 0.101 -0.056 -8.252 1.00 34.13 C ATOM 794 CD2 LEU A 52 2.013 -1.107 -9.470 1.00 73.15 C ATOM 0 H LEU A 52 -0.844 -3.559 -9.814 1.00 72.32 H new ATOM 0 HA LEU A 52 1.890 -3.786 -9.098 1.00 72.12 H new ATOM 0 HB2 LEU A 52 -0.494 -2.591 -7.637 1.00 63.13 H new ATOM 0 HB3 LEU A 52 1.181 -2.346 -7.183 1.00 63.13 H new ATOM 0 HG LEU A 52 -0.055 -1.494 -9.818 1.00 42.40 H new ATOM 0 HD11 LEU A 52 0.162 0.795 -8.930 1.00 34.13 H new ATOM 0 HD12 LEU A 52 -0.934 -0.198 -7.940 1.00 34.13 H new ATOM 0 HD13 LEU A 52 0.722 0.133 -7.376 1.00 34.13 H new ATOM 0 HD21 LEU A 52 2.045 -0.240 -10.130 1.00 73.15 H new ATOM 0 HD22 LEU A 52 2.682 -0.945 -8.625 1.00 73.15 H new ATOM 0 HD23 LEU A 52 2.331 -1.993 -10.020 1.00 73.15 H new ATOM 806 N ALA A 53 -0.301 -5.447 -7.274 1.00 13.31 N ATOM 807 CA ALA A 53 -0.452 -6.485 -6.259 1.00 10.21 C ATOM 808 C ALA A 53 0.278 -7.763 -6.659 1.00 12.44 C ATOM 809 O ALA A 53 0.848 -8.457 -5.812 1.00 53.34 O ATOM 810 CB ALA A 53 -1.926 -6.777 -6.012 1.00 51.02 C ATOM 0 H ALA A 53 -1.179 -5.139 -7.692 1.00 13.31 H new ATOM 0 HA ALA A 53 -0.004 -6.116 -5.336 1.00 10.21 H new ATOM 0 HB1 ALA A 53 -2.021 -7.553 -5.253 1.00 51.02 H new ATOM 0 HB2 ALA A 53 -2.424 -5.870 -5.668 1.00 51.02 H new ATOM 0 HB3 ALA A 53 -2.390 -7.117 -6.938 1.00 51.02 H new ATOM 816 N ALA A 54 0.268 -8.061 -7.952 1.00 52.43 N ATOM 817 CA ALA A 54 0.932 -9.247 -8.476 1.00 62.15 C ATOM 818 C ALA A 54 2.440 -9.190 -8.240 1.00 74.25 C ATOM 819 O ALA A 54 3.083 -10.215 -8.014 1.00 20.51 O ATOM 820 CB ALA A 54 0.629 -9.402 -9.957 1.00 64.44 C ATOM 0 H ALA A 54 -0.196 -7.493 -8.661 1.00 52.43 H new ATOM 0 HA ALA A 54 0.547 -10.116 -7.942 1.00 62.15 H new ATOM 0 HB1 ALA A 54 1.130 -10.291 -10.340 1.00 64.44 H new ATOM 0 HB2 ALA A 54 -0.447 -9.502 -10.100 1.00 64.44 H new ATOM 0 HB3 ALA A 54 0.987 -8.524 -10.495 1.00 64.44 H new ATOM 826 N ALA A 55 2.999 -7.987 -8.291 1.00 11.54 N ATOM 827 CA ALA A 55 4.427 -7.798 -8.072 1.00 60.12 C ATOM 828 C ALA A 55 4.742 -7.667 -6.583 1.00 22.51 C ATOM 829 O ALA A 55 5.824 -8.041 -6.124 1.00 50.52 O ATOM 830 CB ALA A 55 4.909 -6.569 -8.827 1.00 1.21 C ATOM 0 H ALA A 55 2.484 -7.127 -8.482 1.00 11.54 H new ATOM 0 HA ALA A 55 4.952 -8.676 -8.449 1.00 60.12 H new ATOM 0 HB1 ALA A 55 5.977 -6.434 -8.658 1.00 1.21 H new ATOM 0 HB2 ALA A 55 4.724 -6.701 -9.893 1.00 1.21 H new ATOM 0 HB3 ALA A 55 4.372 -5.690 -8.471 1.00 1.21 H new ATOM 836 N ALA A 56 3.787 -7.139 -5.830 1.00 32.33 N ATOM 837 CA ALA A 56 3.971 -6.913 -4.404 1.00 50.41 C ATOM 838 C ALA A 56 3.898 -8.214 -3.614 1.00 65.23 C ATOM 839 O ALA A 56 4.819 -8.546 -2.870 1.00 53.33 O ATOM 840 CB ALA A 56 2.934 -5.926 -3.892 1.00 65.41 C ATOM 0 H ALA A 56 2.873 -6.858 -6.185 1.00 32.33 H new ATOM 0 HA ALA A 56 4.967 -6.494 -4.259 1.00 50.41 H new ATOM 0 HB1 ALA A 56 3.081 -5.765 -2.824 1.00 65.41 H new ATOM 0 HB2 ALA A 56 3.041 -4.979 -4.420 1.00 65.41 H new ATOM 0 HB3 ALA A 56 1.935 -6.326 -4.064 1.00 65.41 H new ATOM 846 N SER A 57 2.809 -8.952 -3.790 1.00 21.12 N ATOM 847 CA SER A 57 2.569 -10.154 -2.999 1.00 52.41 C ATOM 848 C SER A 57 2.945 -11.417 -3.762 1.00 4.25 C ATOM 849 O SER A 57 2.553 -11.603 -4.917 1.00 15.43 O ATOM 850 CB SER A 57 1.106 -10.216 -2.559 1.00 52.31 C ATOM 851 OG SER A 57 0.221 -10.019 -3.651 1.00 23.22 O ATOM 0 H SER A 57 2.080 -8.741 -4.471 1.00 21.12 H new ATOM 0 HA SER A 57 3.206 -10.100 -2.116 1.00 52.41 H new ATOM 0 HB2 SER A 57 0.905 -11.183 -2.098 1.00 52.31 H new ATOM 0 HB3 SER A 57 0.922 -9.456 -1.800 1.00 52.31 H new ATOM 0 HG SER A 57 0.577 -9.320 -4.238 1.00 23.22 H new ATOM 857 N SER A 58 3.692 -12.285 -3.100 1.00 3.24 N ATOM 858 CA SER A 58 4.133 -13.540 -3.696 1.00 40.42 C ATOM 859 C SER A 58 3.232 -14.700 -3.277 1.00 50.32 C ATOM 860 O SER A 58 3.703 -15.804 -2.994 1.00 14.12 O ATOM 861 CB SER A 58 5.571 -13.828 -3.282 1.00 41.54 C ATOM 862 OG SER A 58 6.427 -12.756 -3.637 1.00 72.42 O ATOM 0 H SER A 58 4.009 -12.143 -2.141 1.00 3.24 H new ATOM 0 HA SER A 58 4.075 -13.441 -4.780 1.00 40.42 H new ATOM 0 HB2 SER A 58 5.617 -13.993 -2.206 1.00 41.54 H new ATOM 0 HB3 SER A 58 5.914 -14.745 -3.760 1.00 41.54 H new ATOM 0 HG SER A 58 7.344 -12.964 -3.359 1.00 72.42 H new ATOM 868 N ALA A 59 1.936 -14.450 -3.259 1.00 1.54 N ATOM 869 CA ALA A 59 0.967 -15.475 -2.893 1.00 60.44 C ATOM 870 C ALA A 59 0.723 -16.434 -4.056 1.00 4.02 C ATOM 871 O ALA A 59 0.846 -17.651 -3.906 1.00 51.45 O ATOM 872 CB ALA A 59 -0.341 -14.844 -2.440 1.00 25.13 C ATOM 0 H ALA A 59 1.526 -13.546 -3.493 1.00 1.54 H new ATOM 0 HA ALA A 59 1.380 -16.045 -2.061 1.00 60.44 H new ATOM 0 HB1 ALA A 59 -1.049 -15.628 -2.172 1.00 25.13 H new ATOM 0 HB2 ALA A 59 -0.158 -14.209 -1.574 1.00 25.13 H new ATOM 0 HB3 ALA A 59 -0.755 -14.243 -3.250 1.00 25.13 H new ATOM 878 N ASP A 60 0.388 -15.879 -5.215 1.00 1.01 N ATOM 879 CA ASP A 60 0.144 -16.686 -6.411 1.00 63.23 C ATOM 880 C ASP A 60 0.119 -15.802 -7.651 1.00 31.12 C ATOM 881 O ASP A 60 1.054 -15.812 -8.448 1.00 50.43 O ATOM 882 CB ASP A 60 -1.178 -17.450 -6.289 1.00 74.21 C ATOM 883 CG ASP A 60 -1.375 -18.456 -7.404 1.00 12.22 C ATOM 884 OD1 ASP A 60 -0.919 -19.608 -7.255 1.00 62.13 O ATOM 885 OD2 ASP A 60 -1.999 -18.107 -8.426 1.00 72.53 O ATOM 0 H ASP A 60 0.278 -14.875 -5.355 1.00 1.01 H new ATOM 0 HA ASP A 60 0.956 -17.407 -6.505 1.00 63.23 H new ATOM 0 HB2 ASP A 60 -1.208 -17.966 -5.330 1.00 74.21 H new ATOM 0 HB3 ASP A 60 -2.005 -16.740 -6.295 1.00 74.21 H new ATOM 890 N GLU A 61 -0.959 -15.043 -7.802 1.00 0.22 N ATOM 891 CA GLU A 61 -1.083 -14.071 -8.885 1.00 52.33 C ATOM 892 C GLU A 61 -1.447 -12.712 -8.303 1.00 53.42 C ATOM 893 O GLU A 61 -1.839 -11.787 -9.016 1.00 74.23 O ATOM 894 CB GLU A 61 -2.152 -14.518 -9.889 1.00 21.53 C ATOM 895 CG GLU A 61 -3.540 -14.659 -9.283 1.00 4.12 C ATOM 896 CD GLU A 61 -4.602 -14.955 -10.320 1.00 41.31 C ATOM 897 OE1 GLU A 61 -5.005 -14.022 -11.052 1.00 0.25 O ATOM 898 OE2 GLU A 61 -5.049 -16.117 -10.402 1.00 4.14 O ATOM 0 H GLU A 61 -1.768 -15.082 -7.182 1.00 0.22 H new ATOM 0 HA GLU A 61 -0.130 -13.999 -9.410 1.00 52.33 H new ATOM 0 HB2 GLU A 61 -2.194 -13.798 -10.706 1.00 21.53 H new ATOM 0 HB3 GLU A 61 -1.855 -15.474 -10.321 1.00 21.53 H new ATOM 0 HG2 GLU A 61 -3.529 -15.458 -8.542 1.00 4.12 H new ATOM 0 HG3 GLU A 61 -3.798 -13.740 -8.757 1.00 4.12 H new ATOM 905 N GLY A 62 -1.299 -12.612 -6.995 1.00 40.55 N ATOM 906 CA GLY A 62 -1.690 -11.427 -6.271 1.00 45.12 C ATOM 907 C GLY A 62 -2.163 -11.788 -4.885 1.00 41.41 C ATOM 908 O GLY A 62 -1.866 -12.881 -4.401 1.00 72.52 O ATOM 0 H GLY A 62 -0.905 -13.350 -6.411 1.00 40.55 H new ATOM 0 HA2 GLY A 62 -0.848 -10.738 -6.206 1.00 45.12 H new ATOM 0 HA3 GLY A 62 -2.484 -10.910 -6.810 1.00 45.12 H new ATOM 912 N ALA A 63 -2.897 -10.893 -4.250 1.00 0.32 N ATOM 913 CA ALA A 63 -3.410 -11.144 -2.914 1.00 2.21 C ATOM 914 C ALA A 63 -4.926 -11.233 -2.942 1.00 24.00 C ATOM 915 O ALA A 63 -5.550 -10.875 -3.940 1.00 12.52 O ATOM 916 CB ALA A 63 -2.960 -10.051 -1.957 1.00 63.54 C ATOM 0 H ALA A 63 -3.152 -9.985 -4.637 1.00 0.32 H new ATOM 0 HA ALA A 63 -3.011 -12.095 -2.561 1.00 2.21 H new ATOM 0 HB1 ALA A 63 -3.353 -10.255 -0.961 1.00 63.54 H new ATOM 0 HB2 ALA A 63 -1.871 -10.026 -1.919 1.00 63.54 H new ATOM 0 HB3 ALA A 63 -3.333 -9.087 -2.304 1.00 63.54 H new ATOM 922 N SER A 64 -5.509 -11.714 -1.853 1.00 11.40 N ATOM 923 CA SER A 64 -6.955 -11.803 -1.744 1.00 52.10 C ATOM 924 C SER A 64 -7.563 -10.408 -1.711 1.00 71.32 C ATOM 925 O SER A 64 -7.499 -9.719 -0.695 1.00 50.12 O ATOM 926 CB SER A 64 -7.337 -12.575 -0.483 1.00 25.01 C ATOM 927 OG SER A 64 -6.753 -13.869 -0.478 1.00 31.45 O ATOM 0 H SER A 64 -5.002 -12.048 -1.034 1.00 11.40 H new ATOM 0 HA SER A 64 -7.344 -12.334 -2.613 1.00 52.10 H new ATOM 0 HB2 SER A 64 -7.011 -12.022 0.398 1.00 25.01 H new ATOM 0 HB3 SER A 64 -8.422 -12.662 -0.421 1.00 25.01 H new ATOM 0 HG SER A 64 -7.012 -14.342 0.341 1.00 31.45 H new ATOM 933 N VAL A 65 -8.135 -9.991 -2.822 1.00 24.20 N ATOM 934 CA VAL A 65 -8.676 -8.655 -2.932 1.00 11.51 C ATOM 935 C VAL A 65 -10.190 -8.663 -2.750 1.00 42.35 C ATOM 936 O VAL A 65 -10.929 -9.269 -3.527 1.00 12.31 O ATOM 937 CB VAL A 65 -8.301 -8.001 -4.287 1.00 60.21 C ATOM 938 CG1 VAL A 65 -8.672 -8.900 -5.460 1.00 52.13 C ATOM 939 CG2 VAL A 65 -8.959 -6.634 -4.431 1.00 60.31 C ATOM 0 H VAL A 65 -8.237 -10.560 -3.662 1.00 24.20 H new ATOM 0 HA VAL A 65 -8.233 -8.058 -2.135 1.00 11.51 H new ATOM 0 HB VAL A 65 -7.219 -7.866 -4.298 1.00 60.21 H new ATOM 0 HG11 VAL A 65 -8.396 -8.412 -6.394 1.00 52.13 H new ATOM 0 HG12 VAL A 65 -8.140 -9.848 -5.375 1.00 52.13 H new ATOM 0 HG13 VAL A 65 -9.746 -9.085 -5.451 1.00 52.13 H new ATOM 0 HG21 VAL A 65 -8.681 -6.195 -5.389 1.00 60.31 H new ATOM 0 HG22 VAL A 65 -10.042 -6.745 -4.383 1.00 60.31 H new ATOM 0 HG23 VAL A 65 -8.625 -5.983 -3.623 1.00 60.31 H new ATOM 949 N ALA A 66 -10.634 -8.014 -1.691 1.00 55.12 N ATOM 950 CA ALA A 66 -12.048 -7.793 -1.468 1.00 20.24 C ATOM 951 C ALA A 66 -12.348 -6.314 -1.626 1.00 72.13 C ATOM 952 O ALA A 66 -12.141 -5.522 -0.706 1.00 41.20 O ATOM 953 CB ALA A 66 -12.459 -8.287 -0.091 1.00 60.41 C ATOM 0 H ALA A 66 -10.029 -7.628 -0.966 1.00 55.12 H new ATOM 0 HA ALA A 66 -12.624 -8.356 -2.202 1.00 20.24 H new ATOM 0 HB1 ALA A 66 -13.525 -8.111 0.055 1.00 60.41 H new ATOM 0 HB2 ALA A 66 -12.253 -9.354 -0.011 1.00 60.41 H new ATOM 0 HB3 ALA A 66 -11.895 -7.750 0.672 1.00 60.41 H new ATOM 959 N TYR A 67 -12.798 -5.934 -2.805 1.00 5.05 N ATOM 960 CA TYR A 67 -13.014 -4.531 -3.106 1.00 50.33 C ATOM 961 C TYR A 67 -14.472 -4.262 -3.419 1.00 23.24 C ATOM 962 O TYR A 67 -15.154 -5.089 -4.025 1.00 4.21 O ATOM 963 CB TYR A 67 -12.126 -4.078 -4.272 1.00 3.21 C ATOM 964 CG TYR A 67 -12.519 -4.635 -5.628 1.00 23.01 C ATOM 965 CD1 TYR A 67 -12.256 -5.957 -5.971 1.00 72.52 C ATOM 966 CD2 TYR A 67 -13.149 -3.828 -6.570 1.00 33.21 C ATOM 967 CE1 TYR A 67 -12.608 -6.457 -7.212 1.00 10.23 C ATOM 968 CE2 TYR A 67 -13.501 -4.320 -7.811 1.00 33.43 C ATOM 969 CZ TYR A 67 -13.230 -5.634 -8.125 1.00 14.34 C ATOM 970 OH TYR A 67 -13.577 -6.126 -9.364 1.00 3.42 O ATOM 0 H TYR A 67 -13.021 -6.573 -3.568 1.00 5.05 H new ATOM 0 HA TYR A 67 -12.741 -3.955 -2.222 1.00 50.33 H new ATOM 0 HB2 TYR A 67 -12.146 -2.989 -4.323 1.00 3.21 H new ATOM 0 HB3 TYR A 67 -11.097 -4.369 -4.060 1.00 3.21 H new ATOM 0 HD1 TYR A 67 -11.769 -6.604 -5.257 1.00 72.52 H new ATOM 0 HD2 TYR A 67 -13.367 -2.799 -6.326 1.00 33.21 H new ATOM 0 HE1 TYR A 67 -12.397 -7.486 -7.463 1.00 10.23 H new ATOM 0 HE2 TYR A 67 -13.986 -3.678 -8.532 1.00 33.43 H new ATOM 0 HH TYR A 67 -14.008 -5.419 -9.888 1.00 3.42 H new ATOM 980 N LYS A 68 -14.944 -3.114 -2.989 1.00 4.15 N ATOM 981 CA LYS A 68 -16.289 -2.686 -3.295 1.00 35.55 C ATOM 982 C LYS A 68 -16.262 -1.250 -3.782 1.00 0.31 C ATOM 983 O LYS A 68 -15.363 -0.479 -3.434 1.00 54.35 O ATOM 984 CB LYS A 68 -17.201 -2.811 -2.071 1.00 72.14 C ATOM 985 CG LYS A 68 -16.822 -1.886 -0.928 1.00 32.23 C ATOM 986 CD LYS A 68 -17.756 -2.058 0.260 1.00 12.54 C ATOM 987 CE LYS A 68 -17.383 -1.141 1.416 1.00 11.42 C ATOM 988 NZ LYS A 68 -16.162 -1.597 2.132 1.00 4.14 N ATOM 0 H LYS A 68 -14.411 -2.455 -2.421 1.00 4.15 H new ATOM 0 HA LYS A 68 -16.690 -3.331 -4.077 1.00 35.55 H new ATOM 0 HB2 LYS A 68 -18.228 -2.601 -2.371 1.00 72.14 H new ATOM 0 HB3 LYS A 68 -17.178 -3.841 -1.716 1.00 72.14 H new ATOM 0 HG2 LYS A 68 -15.797 -2.089 -0.619 1.00 32.23 H new ATOM 0 HG3 LYS A 68 -16.853 -0.851 -1.270 1.00 32.23 H new ATOM 0 HD2 LYS A 68 -18.780 -1.851 -0.051 1.00 12.54 H new ATOM 0 HD3 LYS A 68 -17.728 -3.095 0.596 1.00 12.54 H new ATOM 0 HE2 LYS A 68 -17.223 -0.131 1.038 1.00 11.42 H new ATOM 0 HE3 LYS A 68 -18.215 -1.090 2.119 1.00 11.42 H new ATOM 0 HZ1 LYS A 68 -16.017 -1.011 2.979 1.00 4.14 H new ATOM 0 HZ2 LYS A 68 -16.276 -2.591 2.414 1.00 4.14 H new ATOM 0 HZ3 LYS A 68 -15.338 -1.508 1.504 1.00 4.14 H new ATOM 1002 N ILE A 69 -17.230 -0.907 -4.595 1.00 12.25 N ATOM 1003 CA ILE A 69 -17.341 0.439 -5.116 1.00 32.43 C ATOM 1004 C ILE A 69 -18.646 1.058 -4.656 1.00 0.11 C ATOM 1005 O ILE A 69 -19.725 0.591 -5.020 1.00 15.52 O ATOM 1006 CB ILE A 69 -17.288 0.468 -6.660 1.00 74.52 C ATOM 1007 CG1 ILE A 69 -16.048 -0.272 -7.167 1.00 4.13 C ATOM 1008 CG2 ILE A 69 -17.292 1.908 -7.161 1.00 20.01 C ATOM 1009 CD1 ILE A 69 -15.978 -0.384 -8.674 1.00 60.30 C ATOM 0 H ILE A 69 -17.959 -1.545 -4.914 1.00 12.25 H new ATOM 0 HA ILE A 69 -16.492 1.008 -4.736 1.00 32.43 H new ATOM 0 HB ILE A 69 -18.172 -0.038 -7.048 1.00 74.52 H new ATOM 0 HG12 ILE A 69 -15.157 0.243 -6.808 1.00 4.13 H new ATOM 0 HG13 ILE A 69 -16.032 -1.273 -6.736 1.00 4.13 H new ATOM 0 HG21 ILE A 69 -17.254 1.914 -8.250 1.00 20.01 H new ATOM 0 HG22 ILE A 69 -18.201 2.407 -6.826 1.00 20.01 H new ATOM 0 HG23 ILE A 69 -16.423 2.433 -6.765 1.00 20.01 H new ATOM 0 HD11 ILE A 69 -15.072 -0.920 -8.957 1.00 60.30 H new ATOM 0 HD12 ILE A 69 -16.850 -0.926 -9.039 1.00 60.30 H new ATOM 0 HD13 ILE A 69 -15.961 0.614 -9.113 1.00 60.30 H new ATOM 1021 N LYS A 70 -18.554 2.091 -3.841 1.00 24.22 N ATOM 1022 CA LYS A 70 -19.743 2.773 -3.374 1.00 4.32 C ATOM 1023 C LYS A 70 -20.038 3.966 -4.261 1.00 0.21 C ATOM 1024 O LYS A 70 -19.274 4.929 -4.310 1.00 22.51 O ATOM 1025 CB LYS A 70 -19.594 3.215 -1.922 1.00 32.10 C ATOM 1026 CG LYS A 70 -20.796 3.982 -1.384 1.00 74.32 C ATOM 1027 CD LYS A 70 -22.088 3.184 -1.509 1.00 43.35 C ATOM 1028 CE LYS A 70 -22.071 1.930 -0.652 1.00 43.52 C ATOM 1029 NZ LYS A 70 -23.331 1.150 -0.794 1.00 32.20 N ATOM 0 H LYS A 70 -17.675 2.473 -3.491 1.00 24.22 H new ATOM 0 HA LYS A 70 -20.578 2.074 -3.425 1.00 4.32 H new ATOM 0 HB2 LYS A 70 -19.428 2.335 -1.300 1.00 32.10 H new ATOM 0 HB3 LYS A 70 -18.706 3.841 -1.832 1.00 32.10 H new ATOM 0 HG2 LYS A 70 -20.626 4.234 -0.337 1.00 74.32 H new ATOM 0 HG3 LYS A 70 -20.897 4.922 -1.926 1.00 74.32 H new ATOM 0 HD2 LYS A 70 -22.930 3.811 -1.217 1.00 43.35 H new ATOM 0 HD3 LYS A 70 -22.243 2.908 -2.552 1.00 43.35 H new ATOM 0 HE2 LYS A 70 -21.223 1.307 -0.936 1.00 43.52 H new ATOM 0 HE3 LYS A 70 -21.929 2.205 0.393 1.00 43.52 H new ATOM 0 HZ1 LYS A 70 -23.283 0.301 -0.195 1.00 32.20 H new ATOM 0 HZ2 LYS A 70 -24.138 1.737 -0.500 1.00 32.20 H new ATOM 0 HZ3 LYS A 70 -23.454 0.866 -1.787 1.00 32.20 H new ATOM 1043 N ASP A 71 -21.143 3.878 -4.965 1.00 11.24 N ATOM 1044 CA ASP A 71 -21.565 4.927 -5.878 1.00 62.22 C ATOM 1045 C ASP A 71 -22.440 5.923 -5.131 1.00 13.03 C ATOM 1046 O ASP A 71 -23.630 5.686 -4.916 1.00 73.04 O ATOM 1047 CB ASP A 71 -22.325 4.324 -7.063 1.00 33.42 C ATOM 1048 CG ASP A 71 -22.519 5.302 -8.207 1.00 23.04 C ATOM 1049 OD1 ASP A 71 -23.432 6.146 -8.131 1.00 52.12 O ATOM 1050 OD2 ASP A 71 -21.770 5.213 -9.203 1.00 44.05 O ATOM 0 H ASP A 71 -21.777 3.080 -4.924 1.00 11.24 H new ATOM 0 HA ASP A 71 -20.688 5.445 -6.266 1.00 62.22 H new ATOM 0 HB2 ASP A 71 -21.784 3.451 -7.427 1.00 33.42 H new ATOM 0 HB3 ASP A 71 -23.300 3.975 -6.722 1.00 33.42 H new ATOM 1055 N LEU A 72 -21.832 7.011 -4.692 1.00 71.42 N ATOM 1056 CA LEU A 72 -22.536 8.014 -3.913 1.00 70.23 C ATOM 1057 C LEU A 72 -23.078 9.099 -4.822 1.00 34.22 C ATOM 1058 O LEU A 72 -22.676 9.217 -5.983 1.00 33.44 O ATOM 1059 CB LEU A 72 -21.603 8.640 -2.872 1.00 73.31 C ATOM 1060 CG LEU A 72 -21.013 7.671 -1.853 1.00 13.41 C ATOM 1061 CD1 LEU A 72 -19.855 8.317 -1.113 1.00 23.10 C ATOM 1062 CD2 LEU A 72 -22.079 7.223 -0.867 1.00 51.43 C ATOM 0 H LEU A 72 -20.849 7.223 -4.863 1.00 71.42 H new ATOM 0 HA LEU A 72 -23.364 7.526 -3.399 1.00 70.23 H new ATOM 0 HB2 LEU A 72 -20.784 9.134 -3.394 1.00 73.31 H new ATOM 0 HB3 LEU A 72 -22.152 9.414 -2.336 1.00 73.31 H new ATOM 0 HG LEU A 72 -20.641 6.797 -2.387 1.00 13.41 H new ATOM 0 HD11 LEU A 72 -19.446 7.611 -0.390 1.00 23.10 H new ATOM 0 HD12 LEU A 72 -19.079 8.597 -1.825 1.00 23.10 H new ATOM 0 HD13 LEU A 72 -20.207 9.207 -0.592 1.00 23.10 H new ATOM 0 HD21 LEU A 72 -21.641 6.532 -0.147 1.00 51.43 H new ATOM 0 HD22 LEU A 72 -22.476 8.091 -0.341 1.00 51.43 H new ATOM 0 HD23 LEU A 72 -22.885 6.724 -1.405 1.00 51.43 H new ATOM 1074 N GLU A 73 -23.981 9.896 -4.291 1.00 30.04 N ATOM 1075 CA GLU A 73 -24.547 11.002 -5.041 1.00 14.32 C ATOM 1076 C GLU A 73 -23.558 12.168 -5.074 1.00 54.14 C ATOM 1077 O GLU A 73 -23.520 12.991 -4.154 1.00 24.22 O ATOM 1078 CB GLU A 73 -25.871 11.443 -4.420 1.00 21.31 C ATOM 1079 CG GLU A 73 -26.686 12.359 -5.316 1.00 42.30 C ATOM 1080 CD GLU A 73 -27.863 12.982 -4.595 1.00 10.24 C ATOM 1081 OE1 GLU A 73 -28.719 12.231 -4.085 1.00 2.41 O ATOM 1082 OE2 GLU A 73 -27.920 14.228 -4.515 1.00 13.14 O ATOM 0 H GLU A 73 -24.341 9.800 -3.341 1.00 30.04 H new ATOM 0 HA GLU A 73 -24.739 10.675 -6.063 1.00 14.32 H new ATOM 0 HB2 GLU A 73 -26.464 10.560 -4.182 1.00 21.31 H new ATOM 0 HB3 GLU A 73 -25.669 11.954 -3.479 1.00 21.31 H new ATOM 0 HG2 GLU A 73 -26.042 13.149 -5.703 1.00 42.30 H new ATOM 0 HG3 GLU A 73 -27.048 11.793 -6.174 1.00 42.30 H new ATOM 1089 N GLY A 74 -22.728 12.203 -6.108 1.00 63.54 N ATOM 1090 CA GLY A 74 -21.753 13.267 -6.245 1.00 3.33 C ATOM 1091 C GLY A 74 -20.353 12.740 -6.495 1.00 24.44 C ATOM 1092 O GLY A 74 -19.558 13.372 -7.191 1.00 21.01 O ATOM 0 H GLY A 74 -22.713 11.511 -6.857 1.00 63.54 H new ATOM 0 HA2 GLY A 74 -22.045 13.920 -7.068 1.00 3.33 H new ATOM 0 HA3 GLY A 74 -21.753 13.875 -5.340 1.00 3.33 H new ATOM 1096 N GLN A 75 -20.058 11.580 -5.926 1.00 53.40 N ATOM 1097 CA GLN A 75 -18.747 10.958 -6.068 1.00 40.13 C ATOM 1098 C GLN A 75 -18.840 9.489 -5.694 1.00 31.24 C ATOM 1099 O GLN A 75 -19.879 9.034 -5.236 1.00 11.40 O ATOM 1100 CB GLN A 75 -17.715 11.659 -5.174 1.00 12.02 C ATOM 1101 CG GLN A 75 -18.041 11.593 -3.687 1.00 31.41 C ATOM 1102 CD GLN A 75 -17.040 12.356 -2.832 1.00 4.04 C ATOM 1103 OE1 GLN A 75 -16.472 13.357 -3.269 1.00 64.21 O ATOM 1104 NE2 GLN A 75 -16.821 11.895 -1.608 1.00 75.43 N ATOM 0 H GLN A 75 -20.714 11.046 -5.357 1.00 53.40 H new ATOM 0 HA GLN A 75 -18.425 11.052 -7.105 1.00 40.13 H new ATOM 0 HB2 GLN A 75 -16.737 11.208 -5.342 1.00 12.02 H new ATOM 0 HB3 GLN A 75 -17.640 12.704 -5.474 1.00 12.02 H new ATOM 0 HG2 GLN A 75 -19.039 11.998 -3.520 1.00 31.41 H new ATOM 0 HG3 GLN A 75 -18.063 10.550 -3.370 1.00 31.41 H new ATOM 0 HE21 GLN A 75 -17.311 11.062 -1.281 1.00 75.43 H new ATOM 0 HE22 GLN A 75 -16.163 12.373 -0.993 1.00 75.43 H new ATOM 1113 N VAL A 76 -17.763 8.753 -5.879 1.00 30.14 N ATOM 1114 CA VAL A 76 -17.751 7.341 -5.527 1.00 32.21 C ATOM 1115 C VAL A 76 -16.552 7.019 -4.652 1.00 15.42 C ATOM 1116 O VAL A 76 -15.583 7.777 -4.612 1.00 73.02 O ATOM 1117 CB VAL A 76 -17.720 6.426 -6.769 1.00 60.23 C ATOM 1118 CG1 VAL A 76 -18.910 6.699 -7.674 1.00 1.11 C ATOM 1119 CG2 VAL A 76 -16.412 6.590 -7.526 1.00 12.55 C ATOM 0 H VAL A 76 -16.888 9.103 -6.269 1.00 30.14 H new ATOM 0 HA VAL A 76 -18.676 7.150 -4.983 1.00 32.21 H new ATOM 0 HB VAL A 76 -17.787 5.392 -6.430 1.00 60.23 H new ATOM 0 HG11 VAL A 76 -18.865 6.042 -8.542 1.00 1.11 H new ATOM 0 HG12 VAL A 76 -19.834 6.514 -7.126 1.00 1.11 H new ATOM 0 HG13 VAL A 76 -18.886 7.738 -8.004 1.00 1.11 H new ATOM 0 HG21 VAL A 76 -16.412 5.936 -8.398 1.00 12.55 H new ATOM 0 HG22 VAL A 76 -16.306 7.626 -7.849 1.00 12.55 H new ATOM 0 HG23 VAL A 76 -15.579 6.327 -6.874 1.00 12.55 H new ATOM 1129 N GLU A 77 -16.622 5.898 -3.957 1.00 60.13 N ATOM 1130 CA GLU A 77 -15.513 5.450 -3.136 1.00 21.41 C ATOM 1131 C GLU A 77 -15.079 4.051 -3.546 1.00 54.32 C ATOM 1132 O GLU A 77 -15.891 3.123 -3.594 1.00 64.43 O ATOM 1133 CB GLU A 77 -15.885 5.468 -1.651 1.00 41.32 C ATOM 1134 CG GLU A 77 -14.772 4.965 -0.740 1.00 61.42 C ATOM 1135 CD GLU A 77 -15.139 5.041 0.726 1.00 21.33 C ATOM 1136 OE1 GLU A 77 -16.055 4.307 1.153 1.00 70.21 O ATOM 1137 OE2 GLU A 77 -14.508 5.827 1.464 1.00 11.13 O ATOM 0 H GLU A 77 -17.435 5.282 -3.945 1.00 60.13 H new ATOM 0 HA GLU A 77 -14.683 6.139 -3.291 1.00 21.41 H new ATOM 0 HB2 GLU A 77 -16.148 6.486 -1.363 1.00 41.32 H new ATOM 0 HB3 GLU A 77 -16.773 4.854 -1.499 1.00 41.32 H new ATOM 0 HG2 GLU A 77 -14.535 3.933 -0.998 1.00 61.42 H new ATOM 0 HG3 GLU A 77 -13.871 5.552 -0.916 1.00 61.42 H new ATOM 1144 N LEU A 78 -13.804 3.919 -3.864 1.00 15.30 N ATOM 1145 CA LEU A 78 -13.211 2.627 -4.143 1.00 54.31 C ATOM 1146 C LEU A 78 -12.593 2.098 -2.861 1.00 42.01 C ATOM 1147 O LEU A 78 -11.645 2.680 -2.335 1.00 64.41 O ATOM 1148 CB LEU A 78 -12.153 2.755 -5.250 1.00 21.20 C ATOM 1149 CG LEU A 78 -11.575 1.440 -5.814 1.00 61.22 C ATOM 1150 CD1 LEU A 78 -10.526 0.840 -4.885 1.00 53.11 C ATOM 1151 CD2 LEU A 78 -12.683 0.432 -6.074 1.00 43.51 C ATOM 0 H LEU A 78 -13.154 4.702 -3.936 1.00 15.30 H new ATOM 0 HA LEU A 78 -13.973 1.931 -4.494 1.00 54.31 H new ATOM 0 HB2 LEU A 78 -12.591 3.315 -6.076 1.00 21.20 H new ATOM 0 HB3 LEU A 78 -11.327 3.351 -4.863 1.00 21.20 H new ATOM 0 HG LEU A 78 -11.087 1.680 -6.759 1.00 61.22 H new ATOM 0 HD11 LEU A 78 -10.143 -0.085 -5.317 1.00 53.11 H new ATOM 0 HD12 LEU A 78 -9.706 1.547 -4.757 1.00 53.11 H new ATOM 0 HD13 LEU A 78 -10.977 0.628 -3.916 1.00 53.11 H new ATOM 0 HD21 LEU A 78 -12.253 -0.487 -6.471 1.00 43.51 H new ATOM 0 HD22 LEU A 78 -13.204 0.215 -5.141 1.00 43.51 H new ATOM 0 HD23 LEU A 78 -13.388 0.844 -6.796 1.00 43.51 H new ATOM 1163 N ASP A 79 -13.146 1.011 -2.357 1.00 32.24 N ATOM 1164 CA ASP A 79 -12.714 0.453 -1.087 1.00 32.41 C ATOM 1165 C ASP A 79 -12.198 -0.961 -1.290 1.00 70.25 C ATOM 1166 O ASP A 79 -12.982 -1.896 -1.455 1.00 24.21 O ATOM 1167 CB ASP A 79 -13.879 0.455 -0.094 1.00 12.33 C ATOM 1168 CG ASP A 79 -13.470 0.029 1.300 1.00 14.33 C ATOM 1169 OD1 ASP A 79 -13.104 0.907 2.106 1.00 44.14 O ATOM 1170 OD2 ASP A 79 -13.543 -1.181 1.604 1.00 54.14 O ATOM 0 H ASP A 79 -13.900 0.494 -2.810 1.00 32.24 H new ATOM 0 HA ASP A 79 -11.907 1.065 -0.684 1.00 32.41 H new ATOM 0 HB2 ASP A 79 -14.310 1.455 -0.050 1.00 12.33 H new ATOM 0 HB3 ASP A 79 -14.660 -0.213 -0.457 1.00 12.33 H new ATOM 1175 N ALA A 80 -10.884 -1.112 -1.305 1.00 42.13 N ATOM 1176 CA ALA A 80 -10.270 -2.398 -1.599 1.00 22.12 C ATOM 1177 C ALA A 80 -9.495 -2.939 -0.407 1.00 72.31 C ATOM 1178 O ALA A 80 -8.621 -2.262 0.130 1.00 71.44 O ATOM 1179 CB ALA A 80 -9.351 -2.272 -2.803 1.00 25.33 C ATOM 0 H ALA A 80 -10.221 -0.360 -1.117 1.00 42.13 H new ATOM 0 HA ALA A 80 -11.070 -3.104 -1.823 1.00 22.12 H new ATOM 0 HB1 ALA A 80 -8.896 -3.239 -3.016 1.00 25.33 H new ATOM 0 HB2 ALA A 80 -9.927 -1.944 -3.668 1.00 25.33 H new ATOM 0 HB3 ALA A 80 -8.570 -1.542 -2.590 1.00 25.33 H new ATOM 1185 N ALA A 81 -9.819 -4.157 0.001 1.00 31.32 N ATOM 1186 CA ALA A 81 -9.101 -4.822 1.076 1.00 13.45 C ATOM 1187 C ALA A 81 -8.267 -5.976 0.524 1.00 25.55 C ATOM 1188 O ALA A 81 -8.803 -7.017 0.144 1.00 34.54 O ATOM 1189 CB ALA A 81 -10.072 -5.322 2.140 1.00 23.05 C ATOM 0 H ALA A 81 -10.579 -4.707 -0.399 1.00 31.32 H new ATOM 0 HA ALA A 81 -8.428 -4.101 1.540 1.00 13.45 H new ATOM 0 HB1 ALA A 81 -9.516 -5.817 2.936 1.00 23.05 H new ATOM 0 HB2 ALA A 81 -10.625 -4.478 2.553 1.00 23.05 H new ATOM 0 HB3 ALA A 81 -10.770 -6.029 1.692 1.00 23.05 H new ATOM 1195 N PHE A 82 -6.960 -5.769 0.455 1.00 63.32 N ATOM 1196 CA PHE A 82 -6.039 -6.786 -0.034 1.00 43.51 C ATOM 1197 C PHE A 82 -5.496 -7.605 1.128 1.00 52.12 C ATOM 1198 O PHE A 82 -4.755 -7.092 1.962 1.00 64.31 O ATOM 1199 CB PHE A 82 -4.865 -6.139 -0.776 1.00 0.13 C ATOM 1200 CG PHE A 82 -5.253 -5.310 -1.967 1.00 5.42 C ATOM 1201 CD1 PHE A 82 -5.349 -5.885 -3.223 1.00 14.42 C ATOM 1202 CD2 PHE A 82 -5.503 -3.953 -1.835 1.00 21.24 C ATOM 1203 CE1 PHE A 82 -5.694 -5.124 -4.324 1.00 4.30 C ATOM 1204 CE2 PHE A 82 -5.846 -3.188 -2.932 1.00 14.03 C ATOM 1205 CZ PHE A 82 -5.943 -3.773 -4.178 1.00 42.32 C ATOM 0 H PHE A 82 -6.510 -4.897 0.734 1.00 63.32 H new ATOM 0 HA PHE A 82 -6.585 -7.434 -0.719 1.00 43.51 H new ATOM 0 HB2 PHE A 82 -4.314 -5.510 -0.077 1.00 0.13 H new ATOM 0 HB3 PHE A 82 -4.184 -6.924 -1.104 1.00 0.13 H new ATOM 0 HD1 PHE A 82 -5.152 -6.940 -3.344 1.00 14.42 H new ATOM 0 HD2 PHE A 82 -5.429 -3.489 -0.863 1.00 21.24 H new ATOM 0 HE1 PHE A 82 -5.769 -5.585 -5.298 1.00 4.30 H new ATOM 0 HE2 PHE A 82 -6.038 -2.132 -2.815 1.00 14.03 H new ATOM 0 HZ PHE A 82 -6.213 -3.176 -5.037 1.00 42.32 H new ATOM 1215 N THR A 83 -5.866 -8.868 1.185 1.00 71.35 N ATOM 1216 CA THR A 83 -5.396 -9.750 2.239 1.00 42.51 C ATOM 1217 C THR A 83 -4.097 -10.425 1.818 1.00 11.15 C ATOM 1218 O THR A 83 -4.094 -11.318 0.964 1.00 43.42 O ATOM 1219 CB THR A 83 -6.454 -10.814 2.581 1.00 31.01 C ATOM 1220 OG1 THR A 83 -7.740 -10.189 2.689 1.00 53.23 O ATOM 1221 CG2 THR A 83 -6.114 -11.514 3.892 1.00 35.02 C ATOM 0 H THR A 83 -6.493 -9.310 0.512 1.00 71.35 H new ATOM 0 HA THR A 83 -5.215 -9.148 3.129 1.00 42.51 H new ATOM 0 HB THR A 83 -6.469 -11.559 1.786 1.00 31.01 H new ATOM 0 HG1 THR A 83 -8.415 -10.865 2.905 1.00 53.23 H new ATOM 0 HG21 THR A 83 -6.876 -12.262 4.113 1.00 35.02 H new ATOM 0 HG22 THR A 83 -5.143 -12.001 3.803 1.00 35.02 H new ATOM 0 HG23 THR A 83 -6.080 -10.781 4.698 1.00 35.02 H new ATOM 1229 N PHE A 84 -2.997 -9.981 2.404 1.00 41.05 N ATOM 1230 CA PHE A 84 -1.684 -10.500 2.055 1.00 62.54 C ATOM 1231 C PHE A 84 -1.300 -11.669 2.951 1.00 24.12 C ATOM 1232 O PHE A 84 -1.759 -11.773 4.090 1.00 43.32 O ATOM 1233 CB PHE A 84 -0.630 -9.397 2.159 1.00 43.45 C ATOM 1234 CG PHE A 84 -0.836 -8.269 1.190 1.00 24.44 C ATOM 1235 CD1 PHE A 84 -0.451 -8.399 -0.135 1.00 34.00 C ATOM 1236 CD2 PHE A 84 -1.409 -7.078 1.600 1.00 54.40 C ATOM 1237 CE1 PHE A 84 -0.630 -7.363 -1.030 1.00 1.24 C ATOM 1238 CE2 PHE A 84 -1.591 -6.037 0.708 1.00 61.42 C ATOM 1239 CZ PHE A 84 -1.203 -6.181 -0.610 1.00 52.15 C ATOM 0 H PHE A 84 -2.987 -9.260 3.126 1.00 41.05 H new ATOM 0 HA PHE A 84 -1.728 -10.856 1.026 1.00 62.54 H new ATOM 0 HB2 PHE A 84 -0.634 -8.998 3.173 1.00 43.45 H new ATOM 0 HB3 PHE A 84 0.355 -9.832 1.992 1.00 43.45 H new ATOM 0 HD1 PHE A 84 -0.005 -9.323 -0.472 1.00 34.00 H new ATOM 0 HD2 PHE A 84 -1.718 -6.960 2.628 1.00 54.40 H new ATOM 0 HE1 PHE A 84 -0.321 -7.478 -2.059 1.00 1.24 H new ATOM 0 HE2 PHE A 84 -2.036 -5.111 1.042 1.00 61.42 H new ATOM 0 HZ PHE A 84 -1.348 -5.371 -1.309 1.00 52.15 H new ATOM 1249 N SER A 85 -0.451 -12.546 2.426 1.00 33.44 N ATOM 1250 CA SER A 85 0.003 -13.719 3.160 1.00 25.24 C ATOM 1251 C SER A 85 1.016 -13.326 4.237 1.00 10.22 C ATOM 1252 O SER A 85 1.222 -14.051 5.210 1.00 20.05 O ATOM 1253 CB SER A 85 0.630 -14.711 2.181 1.00 13.55 C ATOM 1254 OG SER A 85 -0.152 -14.810 1.003 1.00 61.15 O ATOM 0 H SER A 85 -0.061 -12.464 1.487 1.00 33.44 H new ATOM 0 HA SER A 85 -0.851 -14.183 3.654 1.00 25.24 H new ATOM 0 HB2 SER A 85 1.641 -14.391 1.927 1.00 13.55 H new ATOM 0 HB3 SER A 85 0.715 -15.691 2.651 1.00 13.55 H new ATOM 0 HG SER A 85 0.265 -15.448 0.386 1.00 61.15 H new ATOM 1260 N CYS A 86 1.629 -12.164 4.061 1.00 20.03 N ATOM 1261 CA CYS A 86 2.636 -11.680 4.989 1.00 44.10 C ATOM 1262 C CYS A 86 2.379 -10.214 5.325 1.00 64.41 C ATOM 1263 O CYS A 86 1.833 -9.472 4.509 1.00 51.43 O ATOM 1264 CB CYS A 86 4.032 -11.851 4.383 1.00 42.15 C ATOM 1265 SG CYS A 86 4.416 -13.550 3.889 1.00 72.04 S ATOM 0 H CYS A 86 1.444 -11.537 3.278 1.00 20.03 H new ATOM 0 HA CYS A 86 2.580 -12.263 5.909 1.00 44.10 H new ATOM 0 HB2 CYS A 86 4.121 -11.201 3.512 1.00 42.15 H new ATOM 0 HB3 CYS A 86 4.775 -11.517 5.107 1.00 42.15 H new ATOM 0 HG CYS A 86 5.614 -13.596 3.387 1.00 72.04 H new ATOM 1271 N GLN A 87 2.768 -9.801 6.523 1.00 61.14 N ATOM 1272 CA GLN A 87 2.541 -8.432 6.970 1.00 32.30 C ATOM 1273 C GLN A 87 3.446 -7.447 6.234 1.00 4.24 C ATOM 1274 O GLN A 87 3.073 -6.291 6.021 1.00 11.14 O ATOM 1275 CB GLN A 87 2.750 -8.327 8.481 1.00 64.24 C ATOM 1276 CG GLN A 87 2.755 -6.901 8.999 1.00 31.22 C ATOM 1277 CD GLN A 87 2.455 -6.824 10.477 1.00 34.35 C ATOM 1278 OE1 GLN A 87 3.359 -6.861 11.307 1.00 45.41 O ATOM 1279 NE2 GLN A 87 1.181 -6.721 10.817 1.00 52.12 N ATOM 0 H GLN A 87 3.243 -10.394 7.204 1.00 61.14 H new ATOM 0 HA GLN A 87 1.509 -8.169 6.737 1.00 32.30 H new ATOM 0 HB2 GLN A 87 1.962 -8.885 8.987 1.00 64.24 H new ATOM 0 HB3 GLN A 87 3.696 -8.802 8.742 1.00 64.24 H new ATOM 0 HG2 GLN A 87 3.728 -6.450 8.805 1.00 31.22 H new ATOM 0 HG3 GLN A 87 2.017 -6.315 8.450 1.00 31.22 H new ATOM 0 HE21 GLN A 87 0.461 -6.694 10.095 1.00 52.12 H new ATOM 0 HE22 GLN A 87 0.918 -6.669 11.801 1.00 52.12 H new ATOM 1288 N ALA A 88 4.629 -7.905 5.842 1.00 64.24 N ATOM 1289 CA ALA A 88 5.555 -7.068 5.091 1.00 22.21 C ATOM 1290 C ALA A 88 4.927 -6.605 3.782 1.00 24.25 C ATOM 1291 O ALA A 88 5.169 -5.487 3.330 1.00 32.10 O ATOM 1292 CB ALA A 88 6.851 -7.814 4.820 1.00 14.10 C ATOM 0 H ALA A 88 4.968 -8.848 6.031 1.00 64.24 H new ATOM 0 HA ALA A 88 5.780 -6.188 5.694 1.00 22.21 H new ATOM 0 HB1 ALA A 88 7.530 -7.172 4.258 1.00 14.10 H new ATOM 0 HB2 ALA A 88 7.315 -8.093 5.766 1.00 14.10 H new ATOM 0 HB3 ALA A 88 6.639 -8.713 4.241 1.00 14.10 H new ATOM 1298 N GLU A 89 4.098 -7.466 3.200 1.00 15.32 N ATOM 1299 CA GLU A 89 3.422 -7.163 1.943 1.00 31.44 C ATOM 1300 C GLU A 89 2.485 -5.967 2.118 1.00 0.43 C ATOM 1301 O GLU A 89 2.326 -5.153 1.212 1.00 55.22 O ATOM 1302 CB GLU A 89 2.613 -8.377 1.472 1.00 73.24 C ATOM 1303 CG GLU A 89 3.347 -9.707 1.563 1.00 12.33 C ATOM 1304 CD GLU A 89 4.449 -9.858 0.535 1.00 20.15 C ATOM 1305 OE1 GLU A 89 5.556 -9.331 0.762 1.00 33.01 O ATOM 1306 OE2 GLU A 89 4.218 -10.528 -0.493 1.00 54.23 O ATOM 0 H GLU A 89 3.877 -8.386 3.582 1.00 15.32 H new ATOM 0 HA GLU A 89 4.178 -6.920 1.196 1.00 31.44 H new ATOM 0 HB2 GLU A 89 1.701 -8.440 2.065 1.00 73.24 H new ATOM 0 HB3 GLU A 89 2.310 -8.215 0.437 1.00 73.24 H new ATOM 0 HG2 GLU A 89 3.774 -9.810 2.560 1.00 12.33 H new ATOM 0 HG3 GLU A 89 2.630 -10.518 1.438 1.00 12.33 H new ATOM 1313 N MET A 90 1.873 -5.871 3.297 1.00 64.23 N ATOM 1314 CA MET A 90 0.949 -4.781 3.604 1.00 65.10 C ATOM 1315 C MET A 90 1.655 -3.434 3.530 1.00 32.12 C ATOM 1316 O MET A 90 1.245 -2.540 2.787 1.00 42.42 O ATOM 1317 CB MET A 90 0.358 -4.955 5.010 1.00 33.14 C ATOM 1318 CG MET A 90 -0.555 -3.806 5.431 1.00 23.43 C ATOM 1319 SD MET A 90 -0.908 -3.788 7.202 1.00 74.23 S ATOM 1320 CE MET A 90 0.743 -3.575 7.864 1.00 71.42 C ATOM 0 H MET A 90 2.001 -6.538 4.058 1.00 64.23 H new ATOM 0 HA MET A 90 0.149 -4.810 2.864 1.00 65.10 H new ATOM 0 HB2 MET A 90 -0.204 -5.888 5.047 1.00 33.14 H new ATOM 0 HB3 MET A 90 1.172 -5.045 5.730 1.00 33.14 H new ATOM 0 HG2 MET A 90 -0.091 -2.861 5.150 1.00 23.43 H new ATOM 0 HG3 MET A 90 -1.493 -3.876 4.881 1.00 23.43 H new ATOM 0 HE1 MET A 90 0.917 -4.310 8.650 1.00 71.42 H new ATOM 0 HE2 MET A 90 1.475 -3.714 7.068 1.00 71.42 H new ATOM 0 HE3 MET A 90 0.843 -2.571 8.277 1.00 71.42 H new ATOM 1330 N ILE A 91 2.726 -3.302 4.303 1.00 21.34 N ATOM 1331 CA ILE A 91 3.434 -2.036 4.422 1.00 22.35 C ATOM 1332 C ILE A 91 4.108 -1.621 3.118 1.00 11.42 C ATOM 1333 O ILE A 91 4.016 -0.458 2.722 1.00 54.41 O ATOM 1334 CB ILE A 91 4.472 -2.062 5.564 1.00 23.24 C ATOM 1335 CG1 ILE A 91 5.102 -3.452 5.702 1.00 53.23 C ATOM 1336 CG2 ILE A 91 3.815 -1.637 6.868 1.00 25.31 C ATOM 1337 CD1 ILE A 91 6.349 -3.472 6.560 1.00 40.42 C ATOM 0 H ILE A 91 3.123 -4.060 4.858 1.00 21.34 H new ATOM 0 HA ILE A 91 2.674 -1.292 4.660 1.00 22.35 H new ATOM 0 HB ILE A 91 5.270 -1.359 5.325 1.00 23.24 H new ATOM 0 HG12 ILE A 91 4.367 -4.134 6.129 1.00 53.23 H new ATOM 0 HG13 ILE A 91 5.348 -3.830 4.710 1.00 53.23 H new ATOM 0 HG21 ILE A 91 4.552 -1.657 7.670 1.00 25.31 H new ATOM 0 HG22 ILE A 91 3.420 -0.627 6.764 1.00 25.31 H new ATOM 0 HG23 ILE A 91 3.001 -2.322 7.106 1.00 25.31 H new ATOM 0 HD11 ILE A 91 6.739 -4.489 6.612 1.00 40.42 H new ATOM 0 HD12 ILE A 91 7.102 -2.817 6.123 1.00 40.42 H new ATOM 0 HD13 ILE A 91 6.105 -3.125 7.564 1.00 40.42 H new ATOM 1349 N ILE A 92 4.763 -2.559 2.437 1.00 22.31 N ATOM 1350 CA ILE A 92 5.458 -2.233 1.195 1.00 30.11 C ATOM 1351 C ILE A 92 4.472 -1.776 0.124 1.00 14.31 C ATOM 1352 O ILE A 92 4.803 -0.950 -0.728 1.00 63.13 O ATOM 1353 CB ILE A 92 6.326 -3.415 0.676 1.00 63.03 C ATOM 1354 CG1 ILE A 92 5.499 -4.686 0.443 1.00 74.11 C ATOM 1355 CG2 ILE A 92 7.468 -3.695 1.642 1.00 3.33 C ATOM 1356 CD1 ILE A 92 4.932 -4.806 -0.957 1.00 40.13 C ATOM 0 H ILE A 92 4.827 -3.537 2.719 1.00 22.31 H new ATOM 0 HA ILE A 92 6.137 -1.410 1.418 1.00 30.11 H new ATOM 0 HB ILE A 92 6.736 -3.116 -0.289 1.00 63.03 H new ATOM 0 HG12 ILE A 92 6.124 -5.556 0.646 1.00 74.11 H new ATOM 0 HG13 ILE A 92 4.678 -4.709 1.159 1.00 74.11 H new ATOM 0 HG21 ILE A 92 8.067 -4.524 1.266 1.00 3.33 H new ATOM 0 HG22 ILE A 92 8.094 -2.807 1.733 1.00 3.33 H new ATOM 0 HG23 ILE A 92 7.062 -3.954 2.620 1.00 3.33 H new ATOM 0 HD11 ILE A 92 4.361 -5.731 -1.040 1.00 40.13 H new ATOM 0 HD12 ILE A 92 4.279 -3.957 -1.159 1.00 40.13 H new ATOM 0 HD13 ILE A 92 5.748 -4.817 -1.680 1.00 40.13 H new ATOM 1368 N PHE A 93 3.255 -2.298 0.192 1.00 23.31 N ATOM 1369 CA PHE A 93 2.218 -1.952 -0.768 1.00 64.33 C ATOM 1370 C PHE A 93 1.727 -0.526 -0.525 1.00 13.52 C ATOM 1371 O PHE A 93 1.751 0.307 -1.428 1.00 63.31 O ATOM 1372 CB PHE A 93 1.062 -2.949 -0.652 1.00 53.14 C ATOM 1373 CG PHE A 93 0.145 -2.975 -1.842 1.00 4.53 C ATOM 1374 CD1 PHE A 93 0.631 -3.301 -3.100 1.00 75.03 C ATOM 1375 CD2 PHE A 93 -1.206 -2.708 -1.699 1.00 15.40 C ATOM 1376 CE1 PHE A 93 -0.213 -3.353 -4.191 1.00 64.01 C ATOM 1377 CE2 PHE A 93 -2.053 -2.755 -2.788 1.00 20.14 C ATOM 1378 CZ PHE A 93 -1.557 -3.082 -4.034 1.00 73.21 C ATOM 0 H PHE A 93 2.962 -2.965 0.905 1.00 23.31 H new ATOM 0 HA PHE A 93 2.628 -2.002 -1.777 1.00 64.33 H new ATOM 0 HB2 PHE A 93 1.473 -3.948 -0.503 1.00 53.14 H new ATOM 0 HB3 PHE A 93 0.478 -2.708 0.236 1.00 53.14 H new ATOM 0 HD1 PHE A 93 1.682 -3.517 -3.227 1.00 75.03 H new ATOM 0 HD2 PHE A 93 -1.601 -2.460 -0.725 1.00 15.40 H new ATOM 0 HE1 PHE A 93 0.178 -3.605 -5.166 1.00 64.01 H new ATOM 0 HE2 PHE A 93 -3.103 -2.536 -2.665 1.00 20.14 H new ATOM 0 HZ PHE A 93 -2.220 -3.126 -4.885 1.00 73.21 H new ATOM 1388 N GLU A 94 1.346 -0.246 0.720 1.00 23.54 N ATOM 1389 CA GLU A 94 0.851 1.075 1.118 1.00 62.32 C ATOM 1390 C GLU A 94 1.860 2.173 0.788 1.00 12.32 C ATOM 1391 O GLU A 94 1.506 3.218 0.240 1.00 11.10 O ATOM 1392 CB GLU A 94 0.572 1.100 2.624 1.00 73.34 C ATOM 1393 CG GLU A 94 -0.563 0.195 3.075 1.00 44.33 C ATOM 1394 CD GLU A 94 -1.938 0.774 2.792 1.00 10.12 C ATOM 1395 OE1 GLU A 94 -2.074 2.018 2.749 1.00 3.31 O ATOM 1396 OE2 GLU A 94 -2.895 -0.017 2.659 1.00 34.42 O ATOM 0 H GLU A 94 1.371 -0.925 1.481 1.00 23.54 H new ATOM 0 HA GLU A 94 -0.067 1.262 0.561 1.00 62.32 H new ATOM 0 HB2 GLU A 94 1.480 0.812 3.153 1.00 73.34 H new ATOM 0 HB3 GLU A 94 0.342 2.123 2.920 1.00 73.34 H new ATOM 0 HG2 GLU A 94 -0.472 -0.769 2.574 1.00 44.33 H new ATOM 0 HG3 GLU A 94 -0.467 0.009 4.145 1.00 44.33 H new ATOM 1403 N LEU A 95 3.117 1.923 1.123 1.00 51.11 N ATOM 1404 CA LEU A 95 4.171 2.910 0.952 1.00 33.25 C ATOM 1405 C LEU A 95 4.418 3.221 -0.526 1.00 63.14 C ATOM 1406 O LEU A 95 4.415 4.387 -0.925 1.00 74.43 O ATOM 1407 CB LEU A 95 5.439 2.410 1.643 1.00 5.41 C ATOM 1408 CG LEU A 95 5.327 2.325 3.167 1.00 65.23 C ATOM 1409 CD1 LEU A 95 6.454 1.494 3.749 1.00 62.31 C ATOM 1410 CD2 LEU A 95 5.330 3.719 3.769 1.00 55.45 C ATOM 0 H LEU A 95 3.433 1.037 1.518 1.00 51.11 H new ATOM 0 HA LEU A 95 3.860 3.847 1.414 1.00 33.25 H new ATOM 0 HB2 LEU A 95 5.688 1.424 1.252 1.00 5.41 H new ATOM 0 HB3 LEU A 95 6.265 3.073 1.386 1.00 5.41 H new ATOM 0 HG LEU A 95 4.385 1.835 3.415 1.00 65.23 H new ATOM 0 HD11 LEU A 95 6.351 1.450 4.833 1.00 62.31 H new ATOM 0 HD12 LEU A 95 6.411 0.485 3.339 1.00 62.31 H new ATOM 0 HD13 LEU A 95 7.411 1.949 3.494 1.00 62.31 H new ATOM 0 HD21 LEU A 95 5.250 3.647 4.854 1.00 55.45 H new ATOM 0 HD22 LEU A 95 6.258 4.227 3.507 1.00 55.45 H new ATOM 0 HD23 LEU A 95 4.484 4.285 3.379 1.00 55.45 H new ATOM 1422 N SER A 96 4.636 2.182 -1.329 1.00 34.42 N ATOM 1423 CA SER A 96 4.730 2.330 -2.782 1.00 52.33 C ATOM 1424 C SER A 96 3.550 3.129 -3.356 1.00 51.43 C ATOM 1425 O SER A 96 3.739 3.997 -4.211 1.00 22.10 O ATOM 1426 CB SER A 96 4.793 0.952 -3.447 1.00 42.44 C ATOM 1427 OG SER A 96 5.854 0.178 -2.915 1.00 70.40 O ATOM 0 H SER A 96 4.751 1.224 -0.998 1.00 34.42 H new ATOM 0 HA SER A 96 5.643 2.885 -2.995 1.00 52.33 H new ATOM 0 HB2 SER A 96 3.848 0.430 -3.299 1.00 42.44 H new ATOM 0 HB3 SER A 96 4.928 1.069 -4.522 1.00 42.44 H new ATOM 0 HG SER A 96 5.504 -0.430 -2.231 1.00 70.40 H new ATOM 1433 N LEU A 97 2.339 2.842 -2.875 1.00 34.32 N ATOM 1434 CA LEU A 97 1.132 3.501 -3.383 1.00 22.05 C ATOM 1435 C LEU A 97 1.128 4.993 -3.059 1.00 21.04 C ATOM 1436 O LEU A 97 0.632 5.805 -3.843 1.00 30.00 O ATOM 1437 CB LEU A 97 -0.135 2.865 -2.799 1.00 63.52 C ATOM 1438 CG LEU A 97 -0.327 1.375 -3.081 1.00 2.04 C ATOM 1439 CD1 LEU A 97 -1.674 0.911 -2.553 1.00 73.13 C ATOM 1440 CD2 LEU A 97 -0.202 1.083 -4.570 1.00 14.11 C ATOM 0 H LEU A 97 2.167 2.160 -2.136 1.00 34.32 H new ATOM 0 HA LEU A 97 1.139 3.371 -4.465 1.00 22.05 H new ATOM 0 HB2 LEU A 97 -0.127 3.012 -1.719 1.00 63.52 H new ATOM 0 HB3 LEU A 97 -1.000 3.403 -3.188 1.00 63.52 H new ATOM 0 HG LEU A 97 0.458 0.823 -2.565 1.00 2.04 H new ATOM 0 HD11 LEU A 97 -1.799 -0.152 -2.760 1.00 73.13 H new ATOM 0 HD12 LEU A 97 -1.721 1.079 -1.477 1.00 73.13 H new ATOM 0 HD13 LEU A 97 -2.470 1.472 -3.043 1.00 73.13 H new ATOM 0 HD21 LEU A 97 -0.343 0.016 -4.745 1.00 14.11 H new ATOM 0 HD22 LEU A 97 -0.961 1.643 -5.116 1.00 14.11 H new ATOM 0 HD23 LEU A 97 0.788 1.380 -4.917 1.00 14.11 H new ATOM 1452 N ARG A 98 1.688 5.346 -1.907 1.00 44.01 N ATOM 1453 CA ARG A 98 1.667 6.725 -1.431 1.00 72.31 C ATOM 1454 C ARG A 98 2.333 7.660 -2.440 1.00 52.22 C ATOM 1455 O ARG A 98 1.773 8.691 -2.808 1.00 65.20 O ATOM 1456 CB ARG A 98 2.375 6.824 -0.077 1.00 25.03 C ATOM 1457 CG ARG A 98 1.784 7.880 0.843 1.00 1.33 C ATOM 1458 CD ARG A 98 0.385 7.490 1.295 1.00 44.32 C ATOM 1459 NE ARG A 98 0.377 6.213 2.009 1.00 50.30 N ATOM 1460 CZ ARG A 98 -0.669 5.386 2.062 1.00 40.23 C ATOM 1461 NH1 ARG A 98 -1.813 5.705 1.467 1.00 34.31 N ATOM 1462 NH2 ARG A 98 -0.561 4.242 2.725 1.00 33.03 N ATOM 0 H ARG A 98 2.164 4.694 -1.283 1.00 44.01 H new ATOM 0 HA ARG A 98 0.627 7.031 -1.315 1.00 72.31 H new ATOM 0 HB2 ARG A 98 2.329 5.855 0.419 1.00 25.03 H new ATOM 0 HB3 ARG A 98 3.429 7.047 -0.243 1.00 25.03 H new ATOM 0 HG2 ARG A 98 2.428 8.011 1.713 1.00 1.33 H new ATOM 0 HG3 ARG A 98 1.749 8.839 0.326 1.00 1.33 H new ATOM 0 HD2 ARG A 98 -0.018 8.270 1.942 1.00 44.32 H new ATOM 0 HD3 ARG A 98 -0.272 7.425 0.427 1.00 44.32 H new ATOM 0 HE ARG A 98 1.228 5.936 2.499 1.00 50.30 H new ATOM 0 HH11 ARG A 98 -1.897 6.588 0.964 1.00 34.31 H new ATOM 0 HH12 ARG A 98 -2.607 5.066 1.513 1.00 34.31 H new ATOM 0 HH21 ARG A 98 0.315 4.002 3.188 1.00 33.03 H new ATOM 0 HH22 ARG A 98 -1.354 3.603 2.772 1.00 33.03 H new ATOM 1476 N SER A 99 3.510 7.272 -2.906 1.00 12.25 N ATOM 1477 CA SER A 99 4.258 8.081 -3.864 1.00 2.44 C ATOM 1478 C SER A 99 3.901 7.694 -5.299 1.00 11.13 C ATOM 1479 O SER A 99 4.584 8.078 -6.249 1.00 71.10 O ATOM 1480 CB SER A 99 5.764 7.912 -3.624 1.00 24.23 C ATOM 1481 OG SER A 99 6.105 8.218 -2.278 1.00 73.13 O ATOM 0 H SER A 99 3.970 6.402 -2.638 1.00 12.25 H new ATOM 0 HA SER A 99 3.989 9.127 -3.720 1.00 2.44 H new ATOM 0 HB2 SER A 99 6.059 6.888 -3.854 1.00 24.23 H new ATOM 0 HB3 SER A 99 6.318 8.563 -4.300 1.00 24.23 H new ATOM 0 HG SER A 99 7.070 8.101 -2.150 1.00 73.13 H new ATOM 1487 N LEU A 100 2.818 6.943 -5.451 1.00 71.03 N ATOM 1488 CA LEU A 100 2.381 6.483 -6.763 1.00 55.22 C ATOM 1489 C LEU A 100 1.158 7.257 -7.228 1.00 13.44 C ATOM 1490 O LEU A 100 1.027 7.585 -8.406 1.00 13.14 O ATOM 1491 CB LEU A 100 2.076 4.989 -6.715 1.00 52.43 C ATOM 1492 CG LEU A 100 1.645 4.360 -8.041 1.00 23.15 C ATOM 1493 CD1 LEU A 100 2.296 2.996 -8.216 1.00 1.40 C ATOM 1494 CD2 LEU A 100 0.131 4.225 -8.102 1.00 55.20 C ATOM 0 H LEU A 100 2.224 6.639 -4.679 1.00 71.03 H new ATOM 0 HA LEU A 100 3.185 6.659 -7.477 1.00 55.22 H new ATOM 0 HB2 LEU A 100 2.963 4.467 -6.357 1.00 52.43 H new ATOM 0 HB3 LEU A 100 1.289 4.820 -5.980 1.00 52.43 H new ATOM 0 HG LEU A 100 1.970 5.013 -8.851 1.00 23.15 H new ATOM 0 HD11 LEU A 100 1.980 2.561 -9.164 1.00 1.40 H new ATOM 0 HD12 LEU A 100 3.380 3.107 -8.211 1.00 1.40 H new ATOM 0 HD13 LEU A 100 1.995 2.342 -7.398 1.00 1.40 H new ATOM 0 HD21 LEU A 100 -0.156 3.776 -9.053 1.00 55.20 H new ATOM 0 HD22 LEU A 100 -0.211 3.592 -7.283 1.00 55.20 H new ATOM 0 HD23 LEU A 100 -0.326 5.211 -8.014 1.00 55.20 H new