USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 690 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 88 LYS NZ :NH3+ -149:sc= 0.516 (180deg=-0.00961) USER MOD Set 1.2: A 93 TYR OH : rot 100:sc= 0.459 USER MOD Set 2.1: A 68 MET CE :methyl -169:sc= -0.0594 (180deg=-0.0707) USER MOD Set 2.2: A 74 CYS SG : rot 80:sc= 0.209 USER MOD Set 3.1: A 47 LYS NZ :NH3+ 154:sc= 1.07 (180deg=0) USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0.942 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 146:sc= -0.684 (180deg=-3.07!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 7:sc= 0.27 USER MOD Single : A 39 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 45 MET CE :methyl -154:sc= -0.0316 (180deg=-0.357) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 2.44 (180deg=2.33) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -160:sc= 0.386 (180deg=0.074) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 146:sc= -1.29 (180deg=-3.12!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -51:sc= 1.24 USER MOD Single : A 96 LYS NZ :NH3+ 148:sc= 1.25 (180deg=0.266) USER MOD Single : A 98 SER OG : rot 180:sc= 0.768 USER MOD Single : A 109 THR OG1 : rot 87:sc= 1.81 USER MOD Single : A 110 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.42) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 346 N ALA A 22 -3.125 -29.030 -3.556 1.00 0.00 N ATOM 347 CA ALA A 22 -2.660 -28.613 -4.873 1.00 0.00 C ATOM 348 C ALA A 22 -1.164 -28.898 -5.054 1.00 0.00 C ATOM 349 O ALA A 22 -0.410 -29.005 -4.082 1.00 0.00 O ATOM 350 CB ALA A 22 -2.941 -27.118 -5.069 1.00 0.00 C ATOM 0 HA ALA A 22 -3.201 -29.188 -5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.593 -26.808 -6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.013 -26.936 -4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.418 -26.546 -4.303 1.00 0.00 H new ATOM 356 N GLU A 23 -0.729 -28.946 -6.316 1.00 0.00 N ATOM 357 CA GLU A 23 0.676 -29.099 -6.702 1.00 0.00 C ATOM 358 C GLU A 23 1.045 -28.249 -7.933 1.00 0.00 C ATOM 359 O GLU A 23 2.224 -28.135 -8.268 1.00 0.00 O ATOM 360 CB GLU A 23 0.990 -30.592 -6.927 1.00 0.00 C ATOM 361 CG GLU A 23 0.225 -31.224 -8.103 1.00 0.00 C ATOM 362 CD GLU A 23 0.603 -32.705 -8.285 1.00 0.00 C ATOM 363 OE1 GLU A 23 -0.054 -33.588 -7.688 1.00 0.00 O ATOM 364 OE2 GLU A 23 1.553 -33.009 -9.044 1.00 0.00 O ATOM 0 H GLU A 23 -1.358 -28.878 -7.116 1.00 0.00 H new ATOM 0 HA GLU A 23 1.294 -28.725 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.060 -30.705 -7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.755 -31.143 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.848 -31.139 -7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.444 -30.675 -9.019 1.00 0.00 H new ATOM 371 N ASP A 24 0.060 -27.640 -8.604 1.00 0.00 N ATOM 372 CA ASP A 24 0.226 -26.900 -9.855 1.00 0.00 C ATOM 373 C ASP A 24 -0.719 -25.699 -9.842 1.00 0.00 C ATOM 374 O ASP A 24 -1.725 -25.723 -9.130 1.00 0.00 O ATOM 375 CB ASP A 24 -0.099 -27.831 -11.032 1.00 0.00 C ATOM 376 CG ASP A 24 -0.087 -27.078 -12.369 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.007 -26.903 -12.951 1.00 0.00 O ATOM 378 OD2 ASP A 24 -1.169 -26.634 -12.810 1.00 0.00 O ATOM 0 H ASP A 24 -0.906 -27.651 -8.278 1.00 0.00 H new ATOM 0 HA ASP A 24 1.251 -26.545 -9.961 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.627 -28.643 -11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.078 -28.284 -10.878 1.00 0.00 H new ATOM 383 N LYS A 25 -0.416 -24.652 -10.616 1.00 0.00 N ATOM 384 CA LYS A 25 -1.214 -23.429 -10.676 1.00 0.00 C ATOM 385 C LYS A 25 -2.698 -23.686 -10.952 1.00 0.00 C ATOM 386 O LYS A 25 -3.531 -23.004 -10.360 1.00 0.00 O ATOM 387 CB LYS A 25 -0.602 -22.447 -11.694 1.00 0.00 C ATOM 388 CG LYS A 25 -0.671 -22.947 -13.146 1.00 0.00 C ATOM 389 CD LYS A 25 0.030 -22.000 -14.123 1.00 0.00 C ATOM 390 CE LYS A 25 -0.121 -22.582 -15.535 1.00 0.00 C ATOM 391 NZ LYS A 25 0.537 -21.742 -16.567 1.00 0.00 N ATOM 0 H LYS A 25 0.402 -24.633 -11.225 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.182 -22.974 -9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.121 -21.491 -11.622 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.440 -22.265 -11.430 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.213 -23.934 -13.210 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.715 -23.060 -13.439 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.411 -21.004 -14.072 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.084 -21.896 -13.864 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.307 -23.584 -15.559 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.180 -22.681 -15.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.407 -22.177 -17.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.112 -20.793 -16.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.553 -21.667 -16.358 1.00 0.00 H new ATOM 405 N GLU A 26 -3.056 -24.653 -11.802 1.00 0.00 N ATOM 406 CA GLU A 26 -4.461 -24.931 -12.097 1.00 0.00 C ATOM 407 C GLU A 26 -5.137 -25.552 -10.871 1.00 0.00 C ATOM 408 O GLU A 26 -6.284 -25.235 -10.556 1.00 0.00 O ATOM 409 CB GLU A 26 -4.578 -25.869 -13.309 1.00 0.00 C ATOM 410 CG GLU A 26 -4.179 -25.176 -14.621 1.00 0.00 C ATOM 411 CD GLU A 26 -4.330 -26.116 -15.831 1.00 0.00 C ATOM 412 OE1 GLU A 26 -5.458 -26.278 -16.350 1.00 0.00 O ATOM 413 OE2 GLU A 26 -3.317 -26.684 -16.302 1.00 0.00 O ATOM 0 H GLU A 26 -2.394 -25.253 -12.295 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.964 -23.995 -12.339 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.943 -26.741 -13.153 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.603 -26.231 -13.389 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.798 -24.291 -14.768 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.146 -24.834 -14.552 1.00 0.00 H new ATOM 420 N GLU A 27 -4.417 -26.403 -10.138 1.00 0.00 N ATOM 421 CA GLU A 27 -4.935 -27.043 -8.936 1.00 0.00 C ATOM 422 C GLU A 27 -5.085 -25.998 -7.826 1.00 0.00 C ATOM 423 O GLU A 27 -6.096 -25.987 -7.123 1.00 0.00 O ATOM 424 CB GLU A 27 -4.013 -28.192 -8.501 1.00 0.00 C ATOM 425 CG GLU A 27 -3.828 -29.268 -9.582 1.00 0.00 C ATOM 426 CD GLU A 27 -5.147 -29.959 -9.979 1.00 0.00 C ATOM 427 OE1 GLU A 27 -5.790 -30.599 -9.117 1.00 0.00 O ATOM 428 OE2 GLU A 27 -5.538 -29.896 -11.166 1.00 0.00 O ATOM 0 H GLU A 27 -3.458 -26.666 -10.365 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.916 -27.470 -9.145 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.038 -27.784 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.421 -28.656 -7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.383 -28.813 -10.467 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.125 -30.019 -9.222 1.00 0.00 H new ATOM 435 N ARG A 28 -4.123 -25.071 -7.704 1.00 0.00 N ATOM 436 CA ARG A 28 -4.238 -23.939 -6.786 1.00 0.00 C ATOM 437 C ARG A 28 -5.457 -23.101 -7.148 1.00 0.00 C ATOM 438 O ARG A 28 -6.207 -22.732 -6.247 1.00 0.00 O ATOM 439 CB ARG A 28 -2.963 -23.073 -6.786 1.00 0.00 C ATOM 440 CG ARG A 28 -1.770 -23.785 -6.128 1.00 0.00 C ATOM 441 CD ARG A 28 -0.564 -22.856 -5.916 1.00 0.00 C ATOM 442 NE ARG A 28 0.132 -22.501 -7.167 1.00 0.00 N ATOM 443 CZ ARG A 28 1.111 -23.192 -7.762 1.00 0.00 C ATOM 444 NH1 ARG A 28 1.466 -24.406 -7.341 1.00 0.00 N ATOM 445 NH2 ARG A 28 1.728 -22.629 -8.790 1.00 0.00 N ATOM 0 H ARG A 28 -3.253 -25.088 -8.236 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.361 -24.333 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.705 -22.811 -7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.161 -22.140 -6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.082 -24.193 -5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.468 -24.628 -6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.901 -21.943 -5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.142 -23.339 -5.241 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.164 -21.639 -7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.987 -24.830 -6.546 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.216 -24.910 -7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.452 -21.698 -9.103 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.479 -23.126 -9.268 1.00 0.00 H new ATOM 459 N ALA A 29 -5.692 -22.850 -8.437 1.00 0.00 N ATOM 460 CA ALA A 29 -6.826 -22.060 -8.882 1.00 0.00 C ATOM 461 C ALA A 29 -8.141 -22.697 -8.431 1.00 0.00 C ATOM 462 O ALA A 29 -9.026 -21.994 -7.948 1.00 0.00 O ATOM 463 CB ALA A 29 -6.792 -21.891 -10.401 1.00 0.00 C ATOM 0 H ALA A 29 -5.100 -23.190 -9.195 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.760 -21.072 -8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.648 -21.297 -10.720 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.871 -21.385 -10.690 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.833 -22.871 -10.877 1.00 0.00 H new ATOM 469 N MET A 30 -8.268 -24.023 -8.542 1.00 0.00 N ATOM 470 CA MET A 30 -9.463 -24.728 -8.090 1.00 0.00 C ATOM 471 C MET A 30 -9.579 -24.736 -6.566 1.00 0.00 C ATOM 472 O MET A 30 -10.685 -24.565 -6.055 1.00 0.00 O ATOM 473 CB MET A 30 -9.502 -26.147 -8.666 1.00 0.00 C ATOM 474 CG MET A 30 -9.623 -26.159 -10.196 1.00 0.00 C ATOM 475 SD MET A 30 -11.163 -25.499 -10.915 1.00 0.00 S ATOM 476 CE MET A 30 -10.816 -23.719 -11.047 1.00 0.00 C ATOM 0 H MET A 30 -7.552 -24.629 -8.943 1.00 0.00 H new ATOM 0 HA MET A 30 -10.331 -24.186 -8.466 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.597 -26.679 -8.372 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.344 -26.688 -8.234 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.788 -25.590 -10.605 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.505 -27.188 -10.536 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.309 -23.317 -11.932 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.190 -23.209 -10.159 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.740 -23.563 -11.129 1.00 0.00 H new ATOM 486 N GLY A 31 -8.470 -24.874 -5.834 1.00 0.00 N ATOM 487 CA GLY A 31 -8.471 -24.793 -4.375 1.00 0.00 C ATOM 488 C GLY A 31 -8.990 -23.433 -3.902 1.00 0.00 C ATOM 489 O GLY A 31 -9.903 -23.364 -3.073 1.00 0.00 O ATOM 0 H GLY A 31 -7.549 -25.045 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.094 -25.587 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.461 -24.952 -3.998 1.00 0.00 H new ATOM 493 N TRP A 32 -8.459 -22.355 -4.486 1.00 0.00 N ATOM 494 CA TRP A 32 -8.941 -21.002 -4.266 1.00 0.00 C ATOM 495 C TRP A 32 -10.420 -20.881 -4.620 1.00 0.00 C ATOM 496 O TRP A 32 -11.198 -20.427 -3.786 1.00 0.00 O ATOM 497 CB TRP A 32 -8.121 -20.006 -5.086 1.00 0.00 C ATOM 498 CG TRP A 32 -6.895 -19.481 -4.417 1.00 0.00 C ATOM 499 CD1 TRP A 32 -5.667 -20.044 -4.430 1.00 0.00 C ATOM 500 CD2 TRP A 32 -6.751 -18.231 -3.682 1.00 0.00 C ATOM 501 NE1 TRP A 32 -4.755 -19.176 -3.871 1.00 0.00 N ATOM 502 CE2 TRP A 32 -5.378 -18.068 -3.336 1.00 0.00 C ATOM 503 CE3 TRP A 32 -7.648 -17.219 -3.275 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -4.924 -16.968 -2.598 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -7.204 -16.124 -2.513 1.00 0.00 C ATOM 506 CH2 TRP A 32 -5.846 -16.000 -2.171 1.00 0.00 C ATOM 0 H TRP A 32 -7.672 -22.406 -5.133 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.824 -20.771 -3.207 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.828 -20.485 -6.020 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.761 -19.163 -5.347 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.436 -21.025 -4.819 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.747 -19.333 -3.855 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.689 -17.287 -3.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.876 -16.866 -2.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.910 -15.374 -2.189 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.512 -15.160 -1.580 1.00 0.00 H new ATOM 517 N TYR A 33 -10.815 -21.300 -5.826 1.00 0.00 N ATOM 518 CA TYR A 33 -12.184 -21.159 -6.303 1.00 0.00 C ATOM 519 C TYR A 33 -13.158 -21.819 -5.327 1.00 0.00 C ATOM 520 O TYR A 33 -14.164 -21.210 -4.965 1.00 0.00 O ATOM 521 CB TYR A 33 -12.322 -21.773 -7.707 1.00 0.00 C ATOM 522 CG TYR A 33 -13.762 -21.891 -8.171 1.00 0.00 C ATOM 523 CD1 TYR A 33 -14.523 -23.020 -7.809 1.00 0.00 C ATOM 524 CD2 TYR A 33 -14.365 -20.846 -8.891 1.00 0.00 C ATOM 525 CE1 TYR A 33 -15.892 -23.081 -8.111 1.00 0.00 C ATOM 526 CE2 TYR A 33 -15.717 -20.933 -9.261 1.00 0.00 C ATOM 527 CZ TYR A 33 -16.496 -22.040 -8.856 1.00 0.00 C ATOM 528 OH TYR A 33 -17.820 -22.088 -9.178 1.00 0.00 O ATOM 0 H TYR A 33 -10.189 -21.747 -6.496 1.00 0.00 H new ATOM 0 HA TYR A 33 -12.428 -20.098 -6.364 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.767 -21.163 -8.419 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -11.864 -22.762 -7.710 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.050 -23.844 -7.296 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.788 -19.974 -9.160 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -16.483 -23.920 -7.776 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -16.163 -20.151 -9.857 1.00 0.00 H new ATOM 0 HH TYR A 33 -18.061 -21.288 -9.690 1.00 0.00 H new ATOM 538 N TYR A 34 -12.849 -23.045 -4.895 1.00 0.00 N ATOM 539 CA TYR A 34 -13.703 -23.842 -4.039 1.00 0.00 C ATOM 540 C TYR A 34 -13.994 -23.102 -2.734 1.00 0.00 C ATOM 541 O TYR A 34 -15.165 -22.869 -2.423 1.00 0.00 O ATOM 542 CB TYR A 34 -13.021 -25.199 -3.806 1.00 0.00 C ATOM 543 CG TYR A 34 -13.558 -25.972 -2.620 1.00 0.00 C ATOM 544 CD1 TYR A 34 -14.809 -26.609 -2.695 1.00 0.00 C ATOM 545 CD2 TYR A 34 -12.813 -26.013 -1.427 1.00 0.00 C ATOM 546 CE1 TYR A 34 -15.317 -27.295 -1.577 1.00 0.00 C ATOM 547 CE2 TYR A 34 -13.314 -26.694 -0.305 1.00 0.00 C ATOM 548 CZ TYR A 34 -14.571 -27.341 -0.375 1.00 0.00 C ATOM 549 OH TYR A 34 -15.075 -28.007 0.702 1.00 0.00 O ATOM 0 H TYR A 34 -11.977 -23.513 -5.142 1.00 0.00 H new ATOM 0 HA TYR A 34 -14.669 -24.015 -4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -13.134 -25.808 -4.703 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.953 -25.036 -3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -15.380 -26.572 -3.611 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.854 -25.520 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.277 -27.787 -1.636 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.741 -26.724 0.610 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.443 -27.947 1.449 1.00 0.00 H new ATOM 559 N TYR A 35 -12.957 -22.707 -1.980 1.00 0.00 N ATOM 560 CA TYR A 35 -13.199 -22.071 -0.690 1.00 0.00 C ATOM 561 C TYR A 35 -13.791 -20.674 -0.894 1.00 0.00 C ATOM 562 O TYR A 35 -14.656 -20.270 -0.119 1.00 0.00 O ATOM 563 CB TYR A 35 -11.945 -22.051 0.205 1.00 0.00 C ATOM 564 CG TYR A 35 -11.190 -20.736 0.215 1.00 0.00 C ATOM 565 CD1 TYR A 35 -10.238 -20.474 -0.781 1.00 0.00 C ATOM 566 CD2 TYR A 35 -11.495 -19.746 1.170 1.00 0.00 C ATOM 567 CE1 TYR A 35 -9.584 -19.232 -0.834 1.00 0.00 C ATOM 568 CE2 TYR A 35 -10.852 -18.496 1.124 1.00 0.00 C ATOM 569 CZ TYR A 35 -9.893 -18.233 0.118 1.00 0.00 C ATOM 570 OH TYR A 35 -9.268 -17.024 0.060 1.00 0.00 O ATOM 0 H TYR A 35 -11.975 -22.815 -2.235 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.930 -22.674 -0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -12.241 -22.291 1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -11.268 -22.839 -0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.006 -21.233 -1.513 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -12.225 -19.948 1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.847 -19.041 -1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -11.090 -17.738 1.856 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.727 -16.974 -0.756 1.00 0.00 H new ATOM 580 N LEU A 36 -13.353 -19.934 -1.920 1.00 0.00 N ATOM 581 CA LEU A 36 -13.790 -18.564 -2.137 1.00 0.00 C ATOM 582 C LEU A 36 -15.277 -18.547 -2.465 1.00 0.00 C ATOM 583 O LEU A 36 -16.020 -17.826 -1.808 1.00 0.00 O ATOM 584 CB LEU A 36 -12.954 -17.909 -3.248 1.00 0.00 C ATOM 585 CG LEU A 36 -13.354 -16.456 -3.571 1.00 0.00 C ATOM 586 CD1 LEU A 36 -13.264 -15.518 -2.360 1.00 0.00 C ATOM 587 CD2 LEU A 36 -12.426 -15.927 -4.668 1.00 0.00 C ATOM 0 H LEU A 36 -12.689 -20.273 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 36 -13.638 -17.982 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.904 -17.928 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.043 -18.508 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.396 -16.472 -3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.559 -14.511 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.929 -15.874 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.240 -15.501 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.696 -14.899 -4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.394 -15.959 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.526 -16.546 -5.559 1.00 0.00 H new ATOM 599 N ASP A 37 -15.732 -19.366 -3.416 1.00 0.00 N ATOM 600 CA ASP A 37 -17.146 -19.443 -3.781 1.00 0.00 C ATOM 601 C ASP A 37 -17.997 -19.859 -2.580 1.00 0.00 C ATOM 602 O ASP A 37 -19.072 -19.303 -2.361 1.00 0.00 O ATOM 603 CB ASP A 37 -17.356 -20.433 -4.930 1.00 0.00 C ATOM 604 CG ASP A 37 -18.836 -20.471 -5.336 1.00 0.00 C ATOM 605 OD1 ASP A 37 -19.309 -19.501 -5.969 1.00 0.00 O ATOM 606 OD2 ASP A 37 -19.519 -21.480 -5.049 1.00 0.00 O ATOM 0 H ASP A 37 -15.132 -19.992 -3.953 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.459 -18.451 -4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.745 -20.144 -5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -17.029 -21.428 -4.627 1.00 0.00 H new ATOM 611 N ASP A 38 -17.490 -20.791 -1.767 1.00 0.00 N ATOM 612 CA ASP A 38 -18.134 -21.212 -0.520 1.00 0.00 C ATOM 613 C ASP A 38 -18.158 -20.111 0.559 1.00 0.00 C ATOM 614 O ASP A 38 -19.017 -20.144 1.443 1.00 0.00 O ATOM 615 CB ASP A 38 -17.439 -22.467 0.024 1.00 0.00 C ATOM 616 CG ASP A 38 -18.112 -22.983 1.307 1.00 0.00 C ATOM 617 OD1 ASP A 38 -19.253 -23.492 1.233 1.00 0.00 O ATOM 618 OD2 ASP A 38 -17.485 -22.935 2.389 1.00 0.00 O ATOM 0 H ASP A 38 -16.614 -21.278 -1.958 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.174 -21.430 -0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.456 -23.249 -0.735 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -16.392 -22.243 0.228 1.00 0.00 H new ATOM 623 N THR A 39 -17.260 -19.123 0.494 1.00 0.00 N ATOM 624 CA THR A 39 -17.121 -18.077 1.509 1.00 0.00 C ATOM 625 C THR A 39 -17.860 -16.796 1.105 1.00 0.00 C ATOM 626 O THR A 39 -18.404 -16.125 1.982 1.00 0.00 O ATOM 627 CB THR A 39 -15.628 -17.799 1.772 1.00 0.00 C ATOM 628 OG1 THR A 39 -14.981 -18.987 2.178 1.00 0.00 O ATOM 629 CG2 THR A 39 -15.405 -16.745 2.865 1.00 0.00 C ATOM 0 H THR A 39 -16.600 -19.027 -0.278 1.00 0.00 H new ATOM 0 HA THR A 39 -17.581 -18.431 2.432 1.00 0.00 H new ATOM 0 HB THR A 39 -15.216 -17.421 0.836 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.598 -19.435 1.395 1.00 0.00 H new ATOM 0 HG21 THR A 39 -14.336 -16.590 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.871 -15.806 2.566 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.850 -17.089 3.799 1.00 0.00 H new ATOM 637 N LEU A 40 -17.902 -16.453 -0.189 1.00 0.00 N ATOM 638 CA LEU A 40 -18.619 -15.283 -0.682 1.00 0.00 C ATOM 639 C LEU A 40 -20.095 -15.442 -0.301 1.00 0.00 C ATOM 640 O LEU A 40 -20.753 -16.362 -0.787 1.00 0.00 O ATOM 641 CB LEU A 40 -18.492 -15.144 -2.214 1.00 0.00 C ATOM 642 CG LEU A 40 -17.102 -14.784 -2.776 1.00 0.00 C ATOM 643 CD1 LEU A 40 -17.149 -14.845 -4.307 1.00 0.00 C ATOM 644 CD2 LEU A 40 -16.572 -13.420 -2.343 1.00 0.00 C ATOM 0 H LEU A 40 -17.435 -16.986 -0.923 1.00 0.00 H new ATOM 0 HA LEU A 40 -18.191 -14.385 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -18.806 -16.085 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -19.198 -14.381 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 40 -16.411 -15.518 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.169 -14.591 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -17.423 -15.852 -4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -17.889 -14.135 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -15.590 -13.254 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.257 -12.641 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -16.489 -13.390 -1.257 1.00 0.00 H new ATOM 656 N GLU A 41 -20.645 -14.549 0.523 1.00 0.00 N ATOM 657 CA GLU A 41 -22.070 -14.522 0.860 1.00 0.00 C ATOM 658 C GLU A 41 -22.839 -13.808 -0.265 1.00 0.00 C ATOM 659 O GLU A 41 -23.556 -12.830 -0.043 1.00 0.00 O ATOM 660 CB GLU A 41 -22.307 -13.911 2.255 1.00 0.00 C ATOM 661 CG GLU A 41 -21.691 -14.772 3.373 1.00 0.00 C ATOM 662 CD GLU A 41 -22.181 -14.418 4.795 1.00 0.00 C ATOM 663 OE1 GLU A 41 -22.827 -13.368 5.018 1.00 0.00 O ATOM 664 OE2 GLU A 41 -21.960 -15.236 5.719 1.00 0.00 O ATOM 0 H GLU A 41 -20.106 -13.814 0.981 1.00 0.00 H new ATOM 0 HA GLU A 41 -22.456 -15.539 0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -21.878 -12.910 2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -23.378 -13.805 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -21.917 -15.820 3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -20.607 -14.668 3.339 1.00 0.00 H new ATOM 671 N PHE A 42 -22.613 -14.256 -1.503 1.00 0.00 N ATOM 672 CA PHE A 42 -23.205 -13.695 -2.710 1.00 0.00 C ATOM 673 C PHE A 42 -24.745 -13.814 -2.699 1.00 0.00 C ATOM 674 O PHE A 42 -25.279 -14.712 -2.036 1.00 0.00 O ATOM 675 CB PHE A 42 -22.567 -14.361 -3.946 1.00 0.00 C ATOM 676 CG PHE A 42 -22.865 -15.841 -4.142 1.00 0.00 C ATOM 677 CD1 PHE A 42 -24.099 -16.254 -4.684 1.00 0.00 C ATOM 678 CD2 PHE A 42 -21.898 -16.812 -3.816 1.00 0.00 C ATOM 679 CE1 PHE A 42 -24.373 -17.620 -4.872 1.00 0.00 C ATOM 680 CE2 PHE A 42 -22.171 -18.178 -4.005 1.00 0.00 C ATOM 681 CZ PHE A 42 -23.410 -18.585 -4.529 1.00 0.00 C ATOM 0 H PHE A 42 -21.993 -15.043 -1.694 1.00 0.00 H new ATOM 0 HA PHE A 42 -22.994 -12.626 -2.751 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.900 -13.824 -4.834 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.486 -14.235 -3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -24.839 -15.516 -4.957 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.942 -16.505 -3.419 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -25.324 -17.928 -5.280 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -21.427 -18.917 -3.747 1.00 0.00 H new ATOM 0 HZ PHE A 42 -23.621 -19.635 -4.668 1.00 0.00 H new ATOM 691 N PRO A 43 -25.477 -12.979 -3.466 1.00 0.00 N ATOM 692 CA PRO A 43 -24.981 -11.807 -4.184 1.00 0.00 C ATOM 693 C PRO A 43 -24.569 -10.692 -3.211 1.00 0.00 C ATOM 694 O PRO A 43 -25.066 -10.612 -2.085 1.00 0.00 O ATOM 695 CB PRO A 43 -26.132 -11.369 -5.094 1.00 0.00 C ATOM 696 CG PRO A 43 -27.376 -11.810 -4.326 1.00 0.00 C ATOM 697 CD PRO A 43 -26.919 -13.093 -3.631 1.00 0.00 C ATOM 0 HA PRO A 43 -24.085 -12.035 -4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -26.124 -10.292 -5.262 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -26.074 -11.845 -6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -27.695 -11.055 -3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -28.218 -11.991 -4.993 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -27.412 -13.209 -2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -27.174 -13.969 -4.227 1.00 0.00 H new ATOM 705 N PHE A 44 -23.662 -9.826 -3.660 1.00 0.00 N ATOM 706 CA PHE A 44 -23.173 -8.661 -2.921 1.00 0.00 C ATOM 707 C PHE A 44 -22.930 -7.529 -3.920 1.00 0.00 C ATOM 708 O PHE A 44 -23.344 -7.647 -5.073 1.00 0.00 O ATOM 709 CB PHE A 44 -21.931 -9.030 -2.090 1.00 0.00 C ATOM 710 CG PHE A 44 -20.660 -9.404 -2.839 1.00 0.00 C ATOM 711 CD1 PHE A 44 -20.498 -10.695 -3.379 1.00 0.00 C ATOM 712 CD2 PHE A 44 -19.596 -8.484 -2.926 1.00 0.00 C ATOM 713 CE1 PHE A 44 -19.294 -11.060 -4.007 1.00 0.00 C ATOM 714 CE2 PHE A 44 -18.396 -8.843 -3.565 1.00 0.00 C ATOM 715 CZ PHE A 44 -18.243 -10.132 -4.102 1.00 0.00 C ATOM 0 H PHE A 44 -23.232 -9.919 -4.580 1.00 0.00 H new ATOM 0 HA PHE A 44 -23.912 -8.316 -2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -21.700 -8.186 -1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.197 -9.866 -1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -21.305 -11.410 -3.310 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -19.703 -7.498 -2.499 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -19.177 -12.053 -4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.591 -8.127 -3.643 1.00 0.00 H new ATOM 0 HZ PHE A 44 -17.319 -10.409 -4.587 1.00 0.00 H new ATOM 725 N MET A 45 -22.284 -6.429 -3.527 1.00 0.00 N ATOM 726 CA MET A 45 -21.961 -5.351 -4.454 1.00 0.00 C ATOM 727 C MET A 45 -20.520 -4.877 -4.302 1.00 0.00 C ATOM 728 O MET A 45 -19.842 -5.162 -3.314 1.00 0.00 O ATOM 729 CB MET A 45 -22.979 -4.204 -4.332 1.00 0.00 C ATOM 730 CG MET A 45 -22.787 -3.288 -3.112 1.00 0.00 C ATOM 731 SD MET A 45 -23.302 -1.567 -3.378 1.00 0.00 S ATOM 732 CE MET A 45 -22.039 -1.016 -4.568 1.00 0.00 C ATOM 0 H MET A 45 -21.975 -6.265 -2.569 1.00 0.00 H new ATOM 0 HA MET A 45 -22.038 -5.745 -5.467 1.00 0.00 H new ATOM 0 HB2 MET A 45 -22.928 -3.596 -5.235 1.00 0.00 H new ATOM 0 HB3 MET A 45 -23.981 -4.631 -4.292 1.00 0.00 H new ATOM 0 HG2 MET A 45 -23.350 -3.697 -2.273 1.00 0.00 H new ATOM 0 HG3 MET A 45 -21.735 -3.300 -2.826 1.00 0.00 H new ATOM 0 HE1 MET A 45 -21.911 0.063 -4.489 1.00 0.00 H new ATOM 0 HE2 MET A 45 -21.093 -1.511 -4.350 1.00 0.00 H new ATOM 0 HE3 MET A 45 -22.356 -1.270 -5.579 1.00 0.00 H new ATOM 742 N GLY A 46 -20.068 -4.118 -5.290 1.00 0.00 N ATOM 743 CA GLY A 46 -18.733 -3.571 -5.317 1.00 0.00 C ATOM 744 C GLY A 46 -18.623 -2.440 -6.315 1.00 0.00 C ATOM 745 O GLY A 46 -19.580 -2.084 -7.009 1.00 0.00 O ATOM 0 H GLY A 46 -20.631 -3.866 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.465 -3.210 -4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.021 -4.356 -5.573 1.00 0.00 H new ATOM 749 N LYS A 47 -17.420 -1.890 -6.393 1.00 0.00 N ATOM 750 CA LYS A 47 -17.031 -0.941 -7.419 1.00 0.00 C ATOM 751 C LYS A 47 -15.938 -1.608 -8.236 1.00 0.00 C ATOM 752 O LYS A 47 -14.928 -2.040 -7.685 1.00 0.00 O ATOM 753 CB LYS A 47 -16.555 0.362 -6.755 1.00 0.00 C ATOM 754 CG LYS A 47 -16.524 1.546 -7.730 1.00 0.00 C ATOM 755 CD LYS A 47 -17.917 2.161 -7.951 1.00 0.00 C ATOM 756 CE LYS A 47 -18.390 3.011 -6.761 1.00 0.00 C ATOM 757 NZ LYS A 47 -19.600 3.804 -7.098 1.00 0.00 N ATOM 0 H LYS A 47 -16.673 -2.097 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.860 -0.673 -8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.214 0.601 -5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.558 0.211 -6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.849 2.311 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.120 1.215 -8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.897 2.780 -8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.637 1.363 -8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -18.605 2.361 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.589 3.683 -6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.138 4.002 -6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.315 4.701 -7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.195 3.265 -7.759 1.00 0.00 H new ATOM 771 N TRP A 48 -16.147 -1.713 -9.541 1.00 0.00 N ATOM 772 CA TRP A 48 -15.131 -2.123 -10.491 1.00 0.00 C ATOM 773 C TRP A 48 -14.236 -0.903 -10.691 1.00 0.00 C ATOM 774 O TRP A 48 -14.651 0.084 -11.299 1.00 0.00 O ATOM 775 CB TRP A 48 -15.814 -2.611 -11.780 1.00 0.00 C ATOM 776 CG TRP A 48 -14.956 -3.244 -12.836 1.00 0.00 C ATOM 777 CD1 TRP A 48 -13.605 -3.282 -12.867 1.00 0.00 C ATOM 778 CD2 TRP A 48 -15.385 -3.964 -14.035 1.00 0.00 C ATOM 779 NE1 TRP A 48 -13.175 -3.991 -13.961 1.00 0.00 N ATOM 780 CE2 TRP A 48 -14.228 -4.468 -14.702 1.00 0.00 C ATOM 781 CE3 TRP A 48 -16.636 -4.242 -14.631 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -14.303 -5.242 -15.867 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -16.724 -5.025 -15.800 1.00 0.00 C ATOM 784 CH2 TRP A 48 -15.562 -5.532 -16.409 1.00 0.00 C ATOM 0 H TRP A 48 -17.048 -1.510 -9.975 1.00 0.00 H new ATOM 0 HA TRP A 48 -14.521 -2.959 -10.148 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -16.583 -3.331 -11.499 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -16.324 -1.760 -12.230 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -12.957 -2.821 -12.136 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -12.194 -4.145 -14.195 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -17.537 -3.849 -14.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -13.404 -5.610 -16.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -17.691 -5.237 -16.231 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -15.640 -6.145 -17.295 1.00 0.00 H new ATOM 795 N LYS A 49 -13.033 -0.948 -10.117 1.00 0.00 N ATOM 796 CA LYS A 49 -12.025 0.115 -10.133 1.00 0.00 C ATOM 797 C LYS A 49 -11.241 0.032 -11.456 1.00 0.00 C ATOM 798 O LYS A 49 -10.014 -0.074 -11.452 1.00 0.00 O ATOM 799 CB LYS A 49 -11.099 -0.050 -8.904 1.00 0.00 C ATOM 800 CG LYS A 49 -11.802 -0.269 -7.551 1.00 0.00 C ATOM 801 CD LYS A 49 -12.619 0.916 -7.020 1.00 0.00 C ATOM 802 CE LYS A 49 -11.705 2.012 -6.458 1.00 0.00 C ATOM 803 NZ LYS A 49 -12.399 2.845 -5.450 1.00 0.00 N ATOM 0 H LYS A 49 -12.718 -1.770 -9.601 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.491 1.099 -10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.434 -0.895 -9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.472 0.838 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.464 -1.130 -7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.047 -0.526 -6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.233 1.326 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.300 0.572 -6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.824 1.555 -6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.354 2.645 -7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.725 3.519 -5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.174 3.368 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.786 2.235 -4.702 1.00 0.00 H new ATOM 817 N LYS A 50 -11.965 -0.028 -12.577 1.00 0.00 N ATOM 818 CA LYS A 50 -11.423 -0.332 -13.902 1.00 0.00 C ATOM 819 C LYS A 50 -10.290 0.637 -14.235 1.00 0.00 C ATOM 820 O LYS A 50 -10.391 1.817 -13.922 1.00 0.00 O ATOM 821 CB LYS A 50 -12.576 -0.290 -14.921 1.00 0.00 C ATOM 822 CG LYS A 50 -12.155 -0.749 -16.328 1.00 0.00 C ATOM 823 CD LYS A 50 -13.332 -0.831 -17.314 1.00 0.00 C ATOM 824 CE LYS A 50 -14.310 -1.959 -16.944 1.00 0.00 C ATOM 825 NZ LYS A 50 -15.391 -2.132 -17.947 1.00 0.00 N ATOM 0 H LYS A 50 -12.971 0.138 -12.587 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.989 -1.331 -13.931 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.389 -0.924 -14.567 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.966 0.726 -14.978 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.408 -0.059 -16.720 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.679 -1.727 -16.257 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.863 0.121 -17.326 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.951 -0.996 -18.322 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.759 -2.894 -16.845 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.753 -1.746 -15.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.021 -2.904 -17.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.937 -1.250 -18.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.973 -2.363 -18.871 1.00 0.00 H new ATOM 976 N GLU A 59 -11.341 4.309 -13.267 1.00 0.00 N ATOM 977 CA GLU A 59 -12.752 4.544 -13.490 1.00 0.00 C ATOM 978 C GLU A 59 -13.476 3.658 -12.472 1.00 0.00 C ATOM 979 O GLU A 59 -12.962 2.611 -12.069 1.00 0.00 O ATOM 980 CB GLU A 59 -13.123 4.117 -14.919 1.00 0.00 C ATOM 981 CG GLU A 59 -12.522 4.998 -16.021 1.00 0.00 C ATOM 982 CD GLU A 59 -13.233 6.357 -16.136 1.00 0.00 C ATOM 983 OE1 GLU A 59 -14.380 6.387 -16.635 1.00 0.00 O ATOM 984 OE2 GLU A 59 -12.651 7.399 -15.760 1.00 0.00 O ATOM 0 HA GLU A 59 -13.021 5.594 -13.376 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.796 3.089 -15.074 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.209 4.124 -15.017 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.464 5.160 -15.816 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.585 4.476 -16.976 1.00 0.00 H new ATOM 991 N GLU A 60 -14.675 4.059 -12.057 1.00 0.00 N ATOM 992 CA GLU A 60 -15.376 3.441 -10.940 1.00 0.00 C ATOM 993 C GLU A 60 -16.789 3.074 -11.396 1.00 0.00 C ATOM 994 O GLU A 60 -17.659 3.939 -11.520 1.00 0.00 O ATOM 995 CB GLU A 60 -15.353 4.405 -9.741 1.00 0.00 C ATOM 996 CG GLU A 60 -13.937 4.576 -9.172 1.00 0.00 C ATOM 997 CD GLU A 60 -13.964 5.316 -7.826 1.00 0.00 C ATOM 998 OE1 GLU A 60 -13.914 6.567 -7.807 1.00 0.00 O ATOM 999 OE2 GLU A 60 -14.018 4.638 -6.775 1.00 0.00 O ATOM 0 H GLU A 60 -15.189 4.826 -12.490 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.891 2.521 -10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.741 5.376 -10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.015 4.030 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.474 3.598 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.322 5.129 -9.882 1.00 0.00 H new ATOM 1006 N LYS A 61 -17.005 1.785 -11.669 1.00 0.00 N ATOM 1007 CA LYS A 61 -18.256 1.245 -12.202 1.00 0.00 C ATOM 1008 C LYS A 61 -18.940 0.428 -11.115 1.00 0.00 C ATOM 1009 O LYS A 61 -18.435 -0.621 -10.725 1.00 0.00 O ATOM 1010 CB LYS A 61 -17.937 0.387 -13.443 1.00 0.00 C ATOM 1011 CG LYS A 61 -18.067 1.180 -14.746 1.00 0.00 C ATOM 1012 CD LYS A 61 -19.542 1.398 -15.129 1.00 0.00 C ATOM 1013 CE LYS A 61 -19.794 0.884 -16.549 1.00 0.00 C ATOM 1014 NZ LYS A 61 -21.222 0.981 -16.922 1.00 0.00 N ATOM 0 H LYS A 61 -16.294 1.069 -11.521 1.00 0.00 H new ATOM 0 HA LYS A 61 -18.932 2.045 -12.504 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.924 -0.007 -13.359 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -18.610 -0.470 -13.473 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.572 2.145 -14.637 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.556 0.649 -15.549 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -20.190 0.877 -14.424 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -19.790 2.458 -15.067 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.194 1.458 -17.255 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.468 -0.154 -16.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.418 0.338 -17.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -21.812 0.716 -16.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -21.441 1.957 -17.205 1.00 0.00 H new ATOM 1028 N THR A 62 -20.049 0.921 -10.577 1.00 0.00 N ATOM 1029 CA THR A 62 -20.810 0.216 -9.552 1.00 0.00 C ATOM 1030 C THR A 62 -21.377 -1.085 -10.137 1.00 0.00 C ATOM 1031 O THR A 62 -21.952 -1.081 -11.228 1.00 0.00 O ATOM 1032 CB THR A 62 -21.903 1.152 -9.009 1.00 0.00 C ATOM 1033 OG1 THR A 62 -21.393 2.471 -8.884 1.00 0.00 O ATOM 1034 CG2 THR A 62 -22.365 0.723 -7.619 1.00 0.00 C ATOM 0 H THR A 62 -20.447 1.823 -10.840 1.00 0.00 H new ATOM 0 HA THR A 62 -20.171 -0.064 -8.715 1.00 0.00 H new ATOM 0 HB THR A 62 -22.736 1.109 -9.710 1.00 0.00 H new ATOM 0 HG1 THR A 62 -22.095 3.062 -8.539 1.00 0.00 H new ATOM 0 HG21 THR A 62 -23.137 1.406 -7.265 1.00 0.00 H new ATOM 0 HG22 THR A 62 -22.769 -0.288 -7.666 1.00 0.00 H new ATOM 0 HG23 THR A 62 -21.519 0.745 -6.932 1.00 0.00 H new ATOM 1042 N VAL A 63 -21.223 -2.190 -9.406 1.00 0.00 N ATOM 1043 CA VAL A 63 -21.619 -3.515 -9.864 1.00 0.00 C ATOM 1044 C VAL A 63 -22.237 -4.323 -8.726 1.00 0.00 C ATOM 1045 O VAL A 63 -21.826 -4.209 -7.570 1.00 0.00 O ATOM 1046 CB VAL A 63 -20.419 -4.267 -10.487 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -20.070 -3.737 -11.885 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -19.147 -4.253 -9.620 1.00 0.00 C ATOM 0 H VAL A 63 -20.816 -2.186 -8.471 1.00 0.00 H new ATOM 0 HA VAL A 63 -22.376 -3.390 -10.638 1.00 0.00 H new ATOM 0 HB VAL A 63 -20.761 -5.300 -10.555 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -19.222 -4.294 -12.284 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -20.928 -3.860 -12.546 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.812 -2.680 -11.819 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.354 -4.801 -10.129 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -18.829 -3.223 -9.457 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.356 -4.725 -8.660 1.00 0.00 H new ATOM 1058 N GLU A 64 -23.223 -5.152 -9.063 1.00 0.00 N ATOM 1059 CA GLU A 64 -23.766 -6.159 -8.162 1.00 0.00 C ATOM 1060 C GLU A 64 -23.046 -7.442 -8.566 1.00 0.00 C ATOM 1061 O GLU A 64 -23.030 -7.783 -9.748 1.00 0.00 O ATOM 1062 CB GLU A 64 -25.290 -6.259 -8.327 1.00 0.00 C ATOM 1063 CG GLU A 64 -25.916 -7.277 -7.365 1.00 0.00 C ATOM 1064 CD GLU A 64 -27.453 -7.271 -7.460 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -28.019 -7.914 -8.372 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -28.115 -6.634 -6.608 1.00 0.00 O ATOM 0 H GLU A 64 -23.670 -5.141 -9.980 1.00 0.00 H new ATOM 0 HA GLU A 64 -23.609 -5.931 -7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -25.736 -5.279 -8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -25.524 -6.541 -9.353 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.540 -8.274 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -25.613 -7.048 -6.343 1.00 0.00 H new ATOM 1073 N VAL A 65 -22.395 -8.112 -7.624 1.00 0.00 N ATOM 1074 CA VAL A 65 -21.547 -9.264 -7.872 1.00 0.00 C ATOM 1075 C VAL A 65 -22.401 -10.495 -7.571 1.00 0.00 C ATOM 1076 O VAL A 65 -22.843 -10.682 -6.433 1.00 0.00 O ATOM 1077 CB VAL A 65 -20.268 -9.184 -7.008 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -19.245 -10.206 -7.519 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -19.606 -7.790 -7.010 1.00 0.00 C ATOM 0 H VAL A 65 -22.446 -7.859 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 65 -21.196 -9.308 -8.903 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.576 -9.396 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -18.342 -10.152 -6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -19.668 -11.208 -7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -18.998 -9.985 -8.557 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -18.715 -7.810 -6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -19.327 -7.521 -8.029 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -20.308 -7.053 -6.620 1.00 0.00 H new ATOM 1089 N LEU A 66 -22.696 -11.295 -8.599 1.00 0.00 N ATOM 1090 CA LEU A 66 -23.656 -12.392 -8.492 1.00 0.00 C ATOM 1091 C LEU A 66 -23.019 -13.636 -7.873 1.00 0.00 C ATOM 1092 O LEU A 66 -23.735 -14.445 -7.285 1.00 0.00 O ATOM 1093 CB LEU A 66 -24.253 -12.777 -9.862 1.00 0.00 C ATOM 1094 CG LEU A 66 -25.092 -11.726 -10.619 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -26.050 -10.950 -9.708 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -24.224 -10.747 -11.415 1.00 0.00 C ATOM 0 H LEU A 66 -22.277 -11.200 -9.524 1.00 0.00 H new ATOM 0 HA LEU A 66 -24.455 -12.028 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -23.429 -13.074 -10.511 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -24.878 -13.658 -9.716 1.00 0.00 H new ATOM 0 HG LEU A 66 -25.695 -12.303 -11.321 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -26.610 -10.227 -10.301 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -26.743 -11.644 -9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -25.479 -10.426 -8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -24.863 -10.029 -11.929 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -23.556 -10.217 -10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -23.634 -11.297 -12.148 1.00 0.00 H new ATOM 1108 N GLY A 67 -21.704 -13.813 -8.017 1.00 0.00 N ATOM 1109 CA GLY A 67 -20.975 -14.993 -7.598 1.00 0.00 C ATOM 1110 C GLY A 67 -19.705 -15.088 -8.437 1.00 0.00 C ATOM 1111 O GLY A 67 -19.413 -14.204 -9.249 1.00 0.00 O ATOM 0 H GLY A 67 -21.104 -13.108 -8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.727 -14.931 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.587 -15.885 -7.731 1.00 0.00 H new ATOM 1115 N MET A 68 -18.949 -16.164 -8.248 1.00 0.00 N ATOM 1116 CA MET A 68 -17.797 -16.472 -9.090 1.00 0.00 C ATOM 1117 C MET A 68 -18.243 -16.745 -10.530 1.00 0.00 C ATOM 1118 O MET A 68 -19.369 -17.189 -10.779 1.00 0.00 O ATOM 1119 CB MET A 68 -17.026 -17.686 -8.548 1.00 0.00 C ATOM 1120 CG MET A 68 -16.367 -17.449 -7.184 1.00 0.00 C ATOM 1121 SD MET A 68 -15.112 -16.139 -7.125 1.00 0.00 S ATOM 1122 CE MET A 68 -13.798 -16.900 -8.115 1.00 0.00 C ATOM 0 H MET A 68 -19.116 -16.846 -7.509 1.00 0.00 H new ATOM 0 HA MET A 68 -17.135 -15.606 -9.078 1.00 0.00 H new ATOM 0 HB2 MET A 68 -17.710 -18.531 -8.468 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.257 -17.966 -9.268 1.00 0.00 H new ATOM 0 HG2 MET A 68 -17.148 -17.210 -6.462 1.00 0.00 H new ATOM 0 HG3 MET A 68 -15.906 -18.382 -6.858 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.884 -16.315 -8.017 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.619 -17.916 -7.762 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.101 -16.928 -9.162 1.00 0.00 H new ATOM 1132 N ALA A 69 -17.334 -16.495 -11.473 1.00 0.00 N ATOM 1133 CA ALA A 69 -17.472 -16.886 -12.871 1.00 0.00 C ATOM 1134 C ALA A 69 -17.415 -18.424 -12.997 1.00 0.00 C ATOM 1135 O ALA A 69 -17.103 -19.100 -12.012 1.00 0.00 O ATOM 1136 CB ALA A 69 -16.347 -16.202 -13.654 1.00 0.00 C ATOM 0 H ALA A 69 -16.462 -16.003 -11.278 1.00 0.00 H new ATOM 0 HA ALA A 69 -18.434 -16.574 -13.278 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -16.420 -16.473 -14.707 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.437 -15.121 -13.551 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.382 -16.525 -13.262 1.00 0.00 H new ATOM 1142 N PRO A 70 -17.693 -19.003 -14.183 1.00 0.00 N ATOM 1143 CA PRO A 70 -17.463 -20.420 -14.443 1.00 0.00 C ATOM 1144 C PRO A 70 -16.052 -20.864 -14.048 1.00 0.00 C ATOM 1145 O PRO A 70 -15.089 -20.097 -14.158 1.00 0.00 O ATOM 1146 CB PRO A 70 -17.716 -20.613 -15.942 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.717 -19.507 -16.266 1.00 0.00 C ATOM 1148 CD PRO A 70 -18.254 -18.364 -15.365 1.00 0.00 C ATOM 0 HA PRO A 70 -18.129 -21.038 -13.840 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -16.799 -20.510 -16.523 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.122 -21.601 -16.159 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -18.688 -19.230 -17.320 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -19.741 -19.809 -16.044 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -17.510 -17.745 -15.867 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -19.086 -17.711 -15.101 1.00 0.00 H new ATOM 1156 N ASP A 71 -15.914 -22.132 -13.658 1.00 0.00 N ATOM 1157 CA ASP A 71 -14.624 -22.723 -13.302 1.00 0.00 C ATOM 1158 C ASP A 71 -13.631 -22.657 -14.468 1.00 0.00 C ATOM 1159 O ASP A 71 -12.428 -22.567 -14.237 1.00 0.00 O ATOM 1160 CB ASP A 71 -14.781 -24.169 -12.808 1.00 0.00 C ATOM 1161 CG ASP A 71 -14.914 -25.189 -13.953 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -15.996 -25.253 -14.580 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -13.959 -25.955 -14.208 1.00 0.00 O ATOM 0 H ASP A 71 -16.698 -22.780 -13.580 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.220 -22.129 -12.482 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.920 -24.432 -12.194 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.661 -24.234 -12.168 1.00 0.00 H new ATOM 1168 N ASP A 72 -14.127 -22.638 -15.710 1.00 0.00 N ATOM 1169 CA ASP A 72 -13.298 -22.516 -16.907 1.00 0.00 C ATOM 1170 C ASP A 72 -12.585 -21.161 -16.973 1.00 0.00 C ATOM 1171 O ASP A 72 -11.446 -21.086 -17.435 1.00 0.00 O ATOM 1172 CB ASP A 72 -14.153 -22.714 -18.162 1.00 0.00 C ATOM 1173 CG ASP A 72 -13.293 -22.623 -19.434 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -12.500 -23.555 -19.699 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -13.435 -21.645 -20.200 1.00 0.00 O ATOM 0 H ASP A 72 -15.125 -22.708 -15.911 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.534 -23.292 -16.857 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.646 -23.685 -18.121 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.938 -21.959 -18.195 1.00 0.00 H new ATOM 1180 N GLU A 73 -13.222 -20.094 -16.478 1.00 0.00 N ATOM 1181 CA GLU A 73 -12.586 -18.786 -16.342 1.00 0.00 C ATOM 1182 C GLU A 73 -11.654 -18.812 -15.128 1.00 0.00 C ATOM 1183 O GLU A 73 -10.513 -18.352 -15.194 1.00 0.00 O ATOM 1184 CB GLU A 73 -13.642 -17.679 -16.151 1.00 0.00 C ATOM 1185 CG GLU A 73 -14.668 -17.559 -17.290 1.00 0.00 C ATOM 1186 CD GLU A 73 -14.041 -17.305 -18.676 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -13.068 -16.526 -18.794 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -14.552 -17.852 -19.680 1.00 0.00 O ATOM 0 H GLU A 73 -14.191 -20.116 -16.162 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.022 -18.572 -17.250 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.176 -17.863 -15.219 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.129 -16.723 -16.041 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.258 -18.475 -17.332 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.357 -16.746 -17.060 1.00 0.00 H new ATOM 1195 N CYS A 74 -12.127 -19.391 -14.021 1.00 0.00 N ATOM 1196 CA CYS A 74 -11.467 -19.340 -12.723 1.00 0.00 C ATOM 1197 C CYS A 74 -10.244 -20.262 -12.613 1.00 0.00 C ATOM 1198 O CYS A 74 -9.715 -20.435 -11.518 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.487 -19.658 -11.626 1.00 0.00 C ATOM 1200 SG CYS A 74 -13.819 -18.426 -11.652 1.00 0.00 S ATOM 0 H CYS A 74 -13.000 -19.919 -14.007 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.080 -18.329 -12.600 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.899 -20.656 -11.777 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.999 -19.659 -10.651 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.659 -18.715 -12.601 1.00 0.00 H new ATOM 1206 N LEU A 75 -9.800 -20.876 -13.711 1.00 0.00 N ATOM 1207 CA LEU A 75 -8.701 -21.842 -13.733 1.00 0.00 C ATOM 1208 C LEU A 75 -7.319 -21.178 -13.754 1.00 0.00 C ATOM 1209 O LEU A 75 -6.313 -21.885 -13.687 1.00 0.00 O ATOM 1210 CB LEU A 75 -8.882 -22.802 -14.929 1.00 0.00 C ATOM 1211 CG LEU A 75 -9.411 -24.181 -14.492 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -9.890 -24.969 -15.715 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -8.340 -24.997 -13.755 1.00 0.00 C ATOM 0 H LEU A 75 -10.205 -20.711 -14.632 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.741 -22.409 -12.803 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.573 -22.360 -15.646 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.928 -22.926 -15.441 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.241 -24.009 -13.806 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.262 -25.943 -15.397 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.689 -24.419 -16.212 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.059 -25.106 -16.407 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.754 -25.962 -13.464 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.485 -25.152 -14.412 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.020 -24.457 -12.864 1.00 0.00 H new ATOM 1225 N LYS A 76 -7.251 -19.845 -13.852 1.00 0.00 N ATOM 1226 CA LYS A 76 -5.988 -19.113 -13.996 1.00 0.00 C ATOM 1227 C LYS A 76 -5.956 -17.784 -13.245 1.00 0.00 C ATOM 1228 O LYS A 76 -4.871 -17.277 -12.973 1.00 0.00 O ATOM 1229 CB LYS A 76 -5.682 -18.905 -15.491 1.00 0.00 C ATOM 1230 CG LYS A 76 -6.751 -18.100 -16.255 1.00 0.00 C ATOM 1231 CD LYS A 76 -6.387 -17.985 -17.741 1.00 0.00 C ATOM 1232 CE LYS A 76 -7.480 -17.215 -18.496 1.00 0.00 C ATOM 1233 NZ LYS A 76 -7.183 -17.097 -19.946 1.00 0.00 N ATOM 0 H LYS A 76 -8.074 -19.242 -13.834 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.213 -19.725 -13.536 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.724 -18.394 -15.585 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.571 -19.880 -15.966 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.722 -18.585 -16.150 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.843 -17.105 -15.820 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.430 -17.474 -17.850 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.268 -18.979 -18.172 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.436 -17.721 -18.363 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.583 -16.219 -18.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.947 -16.570 -20.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.283 -16.591 -20.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.110 -18.047 -20.364 1.00 0.00 H new ATOM 1247 N ASP A 77 -7.115 -17.217 -12.914 1.00 0.00 N ATOM 1248 CA ASP A 77 -7.258 -15.933 -12.223 1.00 0.00 C ATOM 1249 C ASP A 77 -8.668 -15.917 -11.617 1.00 0.00 C ATOM 1250 O ASP A 77 -9.545 -16.599 -12.153 1.00 0.00 O ATOM 1251 CB ASP A 77 -7.057 -14.817 -13.257 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.210 -13.411 -12.670 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -8.334 -12.870 -12.673 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -6.177 -12.825 -12.277 1.00 0.00 O ATOM 0 H ASP A 77 -8.012 -17.653 -13.126 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.527 -15.786 -11.428 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.064 -14.913 -13.697 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.777 -14.946 -14.065 1.00 0.00 H new ATOM 1259 N MET A 78 -8.911 -15.235 -10.491 1.00 0.00 N ATOM 1260 CA MET A 78 -10.242 -15.232 -9.876 1.00 0.00 C ATOM 1261 C MET A 78 -11.155 -14.237 -10.597 1.00 0.00 C ATOM 1262 O MET A 78 -10.880 -13.035 -10.621 1.00 0.00 O ATOM 1263 CB MET A 78 -10.157 -14.912 -8.376 1.00 0.00 C ATOM 1264 CG MET A 78 -9.430 -15.986 -7.553 1.00 0.00 C ATOM 1265 SD MET A 78 -10.269 -17.586 -7.292 1.00 0.00 S ATOM 1266 CE MET A 78 -9.998 -18.474 -8.853 1.00 0.00 C ATOM 0 H MET A 78 -8.212 -14.684 -9.993 1.00 0.00 H new ATOM 0 HA MET A 78 -10.669 -16.230 -9.976 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.644 -13.959 -8.246 1.00 0.00 H new ATOM 0 HB3 MET A 78 -11.166 -14.787 -7.983 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.474 -16.186 -8.037 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.209 -15.562 -6.573 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.891 -19.540 -8.651 1.00 0.00 H new ATOM 0 HE2 MET A 78 -10.849 -18.314 -9.515 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.091 -18.102 -9.330 1.00 0.00 H new ATOM 1276 N TYR A 79 -12.281 -14.727 -11.123 1.00 0.00 N ATOM 1277 CA TYR A 79 -13.243 -13.943 -11.891 1.00 0.00 C ATOM 1278 C TYR A 79 -14.621 -14.054 -11.242 1.00 0.00 C ATOM 1279 O TYR A 79 -14.946 -15.079 -10.640 1.00 0.00 O ATOM 1280 CB TYR A 79 -13.310 -14.472 -13.331 1.00 0.00 C ATOM 1281 CG TYR A 79 -12.145 -14.116 -14.231 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -12.093 -12.847 -14.837 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.158 -15.074 -14.529 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.054 -12.526 -15.726 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -10.125 -14.770 -15.433 1.00 0.00 C ATOM 1286 CZ TYR A 79 -10.060 -13.486 -16.026 1.00 0.00 C ATOM 1287 OH TYR A 79 -9.060 -13.166 -16.895 1.00 0.00 O ATOM 0 H TYR A 79 -12.553 -15.705 -11.022 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.929 -12.899 -11.906 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -13.394 -15.558 -13.293 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -14.225 -14.098 -13.791 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.857 -12.116 -14.617 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.194 -16.047 -14.061 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.014 -11.547 -16.180 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.382 -15.515 -15.675 1.00 0.00 H new ATOM 0 HH TYR A 79 -8.456 -13.931 -16.995 1.00 0.00 H new ATOM 1297 N VAL A 80 -15.452 -13.027 -11.411 1.00 0.00 N ATOM 1298 CA VAL A 80 -16.778 -12.938 -10.812 1.00 0.00 C ATOM 1299 C VAL A 80 -17.765 -12.428 -11.860 1.00 0.00 C ATOM 1300 O VAL A 80 -17.404 -11.626 -12.724 1.00 0.00 O ATOM 1301 CB VAL A 80 -16.756 -12.038 -9.555 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -16.119 -12.753 -8.356 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -16.044 -10.688 -9.758 1.00 0.00 C ATOM 0 H VAL A 80 -15.214 -12.216 -11.982 1.00 0.00 H new ATOM 0 HA VAL A 80 -17.099 -13.927 -10.484 1.00 0.00 H new ATOM 0 HB VAL A 80 -17.807 -11.829 -9.356 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -16.122 -12.088 -7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -16.689 -13.652 -8.124 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -15.092 -13.027 -8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.073 -10.118 -8.829 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -15.007 -10.863 -10.044 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.547 -10.126 -10.545 1.00 0.00 H new ATOM 1313 N GLU A 81 -19.011 -12.891 -11.782 1.00 0.00 N ATOM 1314 CA GLU A 81 -20.094 -12.389 -12.617 1.00 0.00 C ATOM 1315 C GLU A 81 -20.606 -11.103 -11.976 1.00 0.00 C ATOM 1316 O GLU A 81 -20.776 -11.044 -10.753 1.00 0.00 O ATOM 1317 CB GLU A 81 -21.233 -13.416 -12.704 1.00 0.00 C ATOM 1318 CG GLU A 81 -20.846 -14.717 -13.416 1.00 0.00 C ATOM 1319 CD GLU A 81 -20.482 -14.500 -14.895 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -19.309 -14.184 -15.191 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -21.366 -14.676 -15.766 1.00 0.00 O ATOM 0 H GLU A 81 -19.296 -13.627 -11.136 1.00 0.00 H new ATOM 0 HA GLU A 81 -19.733 -12.205 -13.629 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -21.573 -13.653 -11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.076 -12.965 -13.227 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -19.999 -15.170 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -21.674 -15.423 -13.350 1.00 0.00 H new ATOM 1328 N VAL A 82 -20.874 -10.082 -12.788 1.00 0.00 N ATOM 1329 CA VAL A 82 -21.215 -8.750 -12.316 1.00 0.00 C ATOM 1330 C VAL A 82 -22.308 -8.151 -13.188 1.00 0.00 C ATOM 1331 O VAL A 82 -22.211 -8.166 -14.414 1.00 0.00 O ATOM 1332 CB VAL A 82 -19.967 -7.846 -12.286 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -19.122 -8.156 -11.049 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -19.074 -7.929 -13.535 1.00 0.00 C ATOM 0 H VAL A 82 -20.859 -10.162 -13.805 1.00 0.00 H new ATOM 0 HA VAL A 82 -21.593 -8.824 -11.296 1.00 0.00 H new ATOM 0 HB VAL A 82 -20.357 -6.829 -12.258 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -18.243 -7.512 -11.038 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -19.713 -7.979 -10.151 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -18.807 -9.199 -11.076 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -18.223 -7.258 -13.419 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -18.716 -8.951 -13.659 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -19.649 -7.637 -14.414 1.00 0.00 H new ATOM 1344 N ALA A 83 -23.345 -7.611 -12.553 1.00 0.00 N ATOM 1345 CA ALA A 83 -24.400 -6.874 -13.227 1.00 0.00 C ATOM 1346 C ALA A 83 -24.068 -5.396 -13.100 1.00 0.00 C ATOM 1347 O ALA A 83 -23.687 -4.929 -12.022 1.00 0.00 O ATOM 1348 CB ALA A 83 -25.764 -7.204 -12.620 1.00 0.00 C ATOM 0 H ALA A 83 -23.474 -7.676 -11.543 1.00 0.00 H new ATOM 0 HA ALA A 83 -24.459 -7.152 -14.279 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -26.539 -6.641 -13.140 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -25.960 -8.271 -12.723 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -25.767 -6.935 -11.564 1.00 0.00 H new ATOM 1354 N ASP A 84 -24.196 -4.664 -14.204 1.00 0.00 N ATOM 1355 CA ASP A 84 -23.750 -3.280 -14.334 1.00 0.00 C ATOM 1356 C ASP A 84 -24.796 -2.325 -13.775 1.00 0.00 C ATOM 1357 O ASP A 84 -25.415 -1.556 -14.506 1.00 0.00 O ATOM 1358 CB ASP A 84 -23.427 -2.994 -15.803 1.00 0.00 C ATOM 1359 CG ASP A 84 -22.952 -1.560 -16.043 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -22.282 -0.960 -15.175 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -23.219 -1.026 -17.140 1.00 0.00 O ATOM 0 H ASP A 84 -24.624 -5.027 -15.055 1.00 0.00 H new ATOM 0 HA ASP A 84 -22.843 -3.124 -13.750 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -22.657 -3.687 -16.141 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -24.314 -3.183 -16.408 1.00 0.00 H new ATOM 1366 N ILE A 85 -25.047 -2.397 -12.470 1.00 0.00 N ATOM 1367 CA ILE A 85 -25.969 -1.491 -11.778 1.00 0.00 C ATOM 1368 C ILE A 85 -25.554 -0.012 -11.917 1.00 0.00 C ATOM 1369 O ILE A 85 -26.385 0.878 -11.735 1.00 0.00 O ATOM 1370 CB ILE A 85 -26.183 -1.928 -10.311 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -24.905 -1.822 -9.454 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -26.767 -3.355 -10.280 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -25.137 -2.060 -7.955 1.00 0.00 C ATOM 0 H ILE A 85 -24.615 -3.088 -11.857 1.00 0.00 H new ATOM 0 HA ILE A 85 -26.938 -1.565 -12.272 1.00 0.00 H new ATOM 0 HB ILE A 85 -26.893 -1.235 -9.860 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -24.175 -2.545 -9.818 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -24.469 -0.832 -9.591 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -26.918 -3.664 -9.246 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -27.722 -3.369 -10.806 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -26.075 -4.042 -10.766 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -24.191 -1.968 -7.421 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -25.842 -1.321 -7.574 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -25.543 -3.060 -7.804 1.00 0.00 H new ATOM 1385 N GLY A 86 -24.296 0.255 -12.285 1.00 0.00 N ATOM 1386 CA GLY A 86 -23.777 1.577 -12.606 1.00 0.00 C ATOM 1387 C GLY A 86 -24.037 1.993 -14.060 1.00 0.00 C ATOM 1388 O GLY A 86 -23.608 3.080 -14.454 1.00 0.00 O ATOM 0 H GLY A 86 -23.589 -0.476 -12.369 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -24.231 2.310 -11.939 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.704 1.595 -12.416 1.00 0.00 H new ATOM 1392 N GLY A 87 -24.717 1.170 -14.866 1.00 0.00 N ATOM 1393 CA GLY A 87 -25.028 1.467 -16.258 1.00 0.00 C ATOM 1394 C GLY A 87 -26.247 0.685 -16.737 1.00 0.00 C ATOM 1395 O GLY A 87 -27.371 1.170 -16.591 1.00 0.00 O ATOM 0 H GLY A 87 -25.070 0.264 -14.558 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -25.212 2.535 -16.371 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -24.169 1.224 -16.884 1.00 0.00 H new ATOM 1399 N LYS A 88 -26.038 -0.499 -17.328 1.00 0.00 N ATOM 1400 CA LYS A 88 -27.114 -1.266 -17.972 1.00 0.00 C ATOM 1401 C LYS A 88 -28.233 -1.626 -16.998 1.00 0.00 C ATOM 1402 O LYS A 88 -29.393 -1.647 -17.404 1.00 0.00 O ATOM 1403 CB LYS A 88 -26.586 -2.565 -18.612 1.00 0.00 C ATOM 1404 CG LYS A 88 -25.481 -2.408 -19.665 1.00 0.00 C ATOM 1405 CD LYS A 88 -25.821 -1.393 -20.768 1.00 0.00 C ATOM 1406 CE LYS A 88 -24.887 -1.506 -21.983 1.00 0.00 C ATOM 1407 NZ LYS A 88 -23.452 -1.342 -21.639 1.00 0.00 N ATOM 0 H LYS A 88 -25.124 -0.950 -17.374 1.00 0.00 H new ATOM 0 HA LYS A 88 -27.515 -0.613 -18.747 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -26.211 -3.209 -17.817 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -27.426 -3.084 -19.073 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -24.560 -2.099 -19.170 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -25.287 -3.378 -20.123 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -26.851 -1.544 -21.091 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -25.760 -0.384 -20.360 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -25.032 -2.478 -22.454 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -25.166 -0.751 -22.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -22.949 -0.913 -22.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -23.363 -0.726 -20.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -23.037 -2.272 -21.428 1.00 0.00 H new ATOM 1421 N ASP A 89 -27.880 -1.940 -15.749 1.00 0.00 N ATOM 1422 CA ASP A 89 -28.705 -2.420 -14.630 1.00 0.00 C ATOM 1423 C ASP A 89 -29.443 -3.746 -14.866 1.00 0.00 C ATOM 1424 O ASP A 89 -29.710 -4.479 -13.914 1.00 0.00 O ATOM 1425 CB ASP A 89 -29.663 -1.316 -14.163 1.00 0.00 C ATOM 1426 CG ASP A 89 -30.489 -1.748 -12.941 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -29.938 -1.789 -11.819 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -31.709 -1.990 -13.086 1.00 0.00 O ATOM 0 H ASP A 89 -26.904 -1.856 -15.463 1.00 0.00 H new ATOM 0 HA ASP A 89 -27.997 -2.657 -13.836 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -29.092 -0.421 -13.916 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -30.335 -1.050 -14.979 1.00 0.00 H new ATOM 1433 N ASP A 90 -29.707 -4.101 -16.121 1.00 0.00 N ATOM 1434 CA ASP A 90 -30.516 -5.245 -16.545 1.00 0.00 C ATOM 1435 C ASP A 90 -29.688 -6.228 -17.387 1.00 0.00 C ATOM 1436 O ASP A 90 -30.228 -7.144 -18.009 1.00 0.00 O ATOM 1437 CB ASP A 90 -31.710 -4.702 -17.338 1.00 0.00 C ATOM 1438 CG ASP A 90 -32.748 -5.783 -17.691 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -33.246 -6.479 -16.777 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -33.129 -5.898 -18.879 1.00 0.00 O ATOM 0 H ASP A 90 -29.344 -3.571 -16.913 1.00 0.00 H new ATOM 0 HA ASP A 90 -30.866 -5.801 -15.675 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -32.196 -3.917 -16.758 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -31.348 -4.242 -18.257 1.00 0.00 H new ATOM 1445 N ASP A 91 -28.364 -6.046 -17.410 1.00 0.00 N ATOM 1446 CA ASP A 91 -27.425 -6.923 -18.111 1.00 0.00 C ATOM 1447 C ASP A 91 -26.219 -7.227 -17.224 1.00 0.00 C ATOM 1448 O ASP A 91 -25.954 -6.525 -16.241 1.00 0.00 O ATOM 1449 CB ASP A 91 -26.985 -6.319 -19.454 1.00 0.00 C ATOM 1450 CG ASP A 91 -26.341 -7.342 -20.412 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -26.521 -8.567 -20.231 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -25.677 -6.915 -21.383 1.00 0.00 O ATOM 0 H ASP A 91 -27.907 -5.269 -16.932 1.00 0.00 H new ATOM 0 HA ASP A 91 -27.938 -7.860 -18.330 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -27.851 -5.872 -19.942 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -26.275 -5.514 -19.265 1.00 0.00 H new ATOM 1457 N VAL A 92 -25.490 -8.274 -17.593 1.00 0.00 N ATOM 1458 CA VAL A 92 -24.442 -8.899 -16.803 1.00 0.00 C ATOM 1459 C VAL A 92 -23.212 -9.189 -17.675 1.00 0.00 C ATOM 1460 O VAL A 92 -23.320 -9.430 -18.881 1.00 0.00 O ATOM 1461 CB VAL A 92 -25.056 -10.144 -16.109 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -25.648 -11.166 -17.098 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -24.099 -10.876 -15.160 1.00 0.00 C ATOM 0 H VAL A 92 -25.622 -8.730 -18.496 1.00 0.00 H new ATOM 0 HA VAL A 92 -24.070 -8.238 -16.020 1.00 0.00 H new ATOM 0 HB VAL A 92 -25.861 -9.715 -15.513 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -26.060 -12.011 -16.545 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -26.439 -10.693 -17.680 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -24.865 -11.519 -17.769 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -24.609 -11.732 -14.718 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -23.227 -11.220 -15.716 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -23.780 -10.197 -14.370 1.00 0.00 H new ATOM 1473 N TYR A 93 -22.044 -9.162 -17.035 1.00 0.00 N ATOM 1474 CA TYR A 93 -20.714 -9.340 -17.601 1.00 0.00 C ATOM 1475 C TYR A 93 -19.878 -10.166 -16.608 1.00 0.00 C ATOM 1476 O TYR A 93 -20.387 -10.613 -15.575 1.00 0.00 O ATOM 1477 CB TYR A 93 -20.074 -7.954 -17.824 1.00 0.00 C ATOM 1478 CG TYR A 93 -20.864 -6.996 -18.697 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -20.702 -7.025 -20.096 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -21.740 -6.059 -18.112 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -21.398 -6.113 -20.908 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -22.444 -5.149 -18.919 1.00 0.00 C ATOM 1483 CZ TYR A 93 -22.267 -5.163 -20.322 1.00 0.00 C ATOM 1484 OH TYR A 93 -22.915 -4.250 -21.100 1.00 0.00 O ATOM 0 H TYR A 93 -22.004 -9.002 -16.028 1.00 0.00 H new ATOM 0 HA TYR A 93 -20.762 -9.860 -18.558 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -19.918 -7.486 -16.852 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -19.090 -8.096 -18.271 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -20.041 -7.751 -20.546 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -21.870 -6.040 -17.040 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -21.269 -6.138 -21.980 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -23.121 -4.439 -18.467 1.00 0.00 H new ATOM 0 HH TYR A 93 -23.836 -4.547 -21.254 1.00 0.00 H new ATOM 1494 N THR A 94 -18.581 -10.312 -16.878 1.00 0.00 N ATOM 1495 CA THR A 94 -17.611 -10.915 -15.971 1.00 0.00 C ATOM 1496 C THR A 94 -16.539 -9.855 -15.683 1.00 0.00 C ATOM 1497 O THR A 94 -16.231 -9.034 -16.553 1.00 0.00 O ATOM 1498 CB THR A 94 -17.012 -12.181 -16.621 1.00 0.00 C ATOM 1499 OG1 THR A 94 -18.019 -13.035 -17.131 1.00 0.00 O ATOM 1500 CG2 THR A 94 -16.114 -12.979 -15.668 1.00 0.00 C ATOM 0 H THR A 94 -18.167 -10.005 -17.758 1.00 0.00 H new ATOM 0 HA THR A 94 -18.073 -11.226 -15.034 1.00 0.00 H new ATOM 0 HB THR A 94 -16.394 -11.816 -17.441 1.00 0.00 H new ATOM 0 HG1 THR A 94 -18.694 -13.195 -16.439 1.00 0.00 H new ATOM 0 HG21 THR A 94 -15.724 -13.856 -16.184 1.00 0.00 H new ATOM 0 HG22 THR A 94 -15.284 -12.353 -15.340 1.00 0.00 H new ATOM 0 HG23 THR A 94 -16.694 -13.296 -14.801 1.00 0.00 H new ATOM 1508 N ALA A 95 -15.957 -9.886 -14.482 1.00 0.00 N ATOM 1509 CA ALA A 95 -14.855 -9.023 -14.080 1.00 0.00 C ATOM 1510 C ALA A 95 -13.824 -9.840 -13.311 1.00 0.00 C ATOM 1511 O ALA A 95 -14.155 -10.834 -12.664 1.00 0.00 O ATOM 1512 CB ALA A 95 -15.376 -7.858 -13.230 1.00 0.00 C ATOM 0 H ALA A 95 -16.250 -10.530 -13.747 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.379 -8.605 -14.967 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.542 -7.221 -12.936 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -16.091 -7.275 -13.811 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -15.866 -8.249 -12.338 1.00 0.00 H new ATOM 1518 N LYS A 96 -12.563 -9.417 -13.384 1.00 0.00 N ATOM 1519 CA LYS A 96 -11.491 -9.966 -12.563 1.00 0.00 C ATOM 1520 C LYS A 96 -11.729 -9.450 -11.151 1.00 0.00 C ATOM 1521 O LYS A 96 -11.888 -8.243 -10.964 1.00 0.00 O ATOM 1522 CB LYS A 96 -10.094 -9.578 -13.108 1.00 0.00 C ATOM 1523 CG LYS A 96 -9.989 -8.216 -13.830 1.00 0.00 C ATOM 1524 CD LYS A 96 -10.169 -8.324 -15.356 1.00 0.00 C ATOM 1525 CE LYS A 96 -10.523 -6.998 -16.058 1.00 0.00 C ATOM 1526 NZ LYS A 96 -9.549 -5.900 -15.828 1.00 0.00 N ATOM 0 H LYS A 96 -12.257 -8.679 -14.019 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.502 -11.056 -12.577 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.391 -9.578 -12.275 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.769 -10.356 -13.799 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.744 -7.540 -13.428 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.017 -7.772 -13.616 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.249 -8.715 -15.790 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.954 -9.051 -15.565 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.601 -7.179 -17.130 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.506 -6.672 -15.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.511 -5.288 -16.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.846 -5.339 -15.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.607 -6.303 -15.651 1.00 0.00 H new ATOM 1540 N LEU A 97 -11.740 -10.336 -10.154 1.00 0.00 N ATOM 1541 CA LEU A 97 -11.932 -9.947 -8.756 1.00 0.00 C ATOM 1542 C LEU A 97 -10.818 -8.996 -8.305 1.00 0.00 C ATOM 1543 O LEU A 97 -11.052 -8.096 -7.502 1.00 0.00 O ATOM 1544 CB LEU A 97 -11.988 -11.206 -7.877 1.00 0.00 C ATOM 1545 CG LEU A 97 -12.271 -10.919 -6.388 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -13.602 -10.181 -6.181 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -12.300 -12.248 -5.629 1.00 0.00 C ATOM 0 H LEU A 97 -11.617 -11.339 -10.292 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.877 -9.413 -8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -12.761 -11.871 -8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -11.040 -11.737 -7.960 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.479 -10.272 -6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.757 -10.002 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.576 -9.228 -6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.419 -10.789 -6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -12.499 -12.060 -4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -13.085 -12.884 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -11.337 -12.747 -5.733 1.00 0.00 H new ATOM 1559 N SER A 98 -9.627 -9.155 -8.886 1.00 0.00 N ATOM 1560 CA SER A 98 -8.467 -8.285 -8.762 1.00 0.00 C ATOM 1561 C SER A 98 -8.777 -6.805 -9.028 1.00 0.00 C ATOM 1562 O SER A 98 -8.051 -5.934 -8.549 1.00 0.00 O ATOM 1563 CB SER A 98 -7.433 -8.756 -9.795 1.00 0.00 C ATOM 1564 OG SER A 98 -7.435 -10.172 -9.893 1.00 0.00 O ATOM 0 H SER A 98 -9.440 -9.951 -9.496 1.00 0.00 H new ATOM 0 HA SER A 98 -8.108 -8.351 -7.735 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.657 -8.318 -10.768 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.441 -8.407 -9.510 1.00 0.00 H new ATOM 0 HG SER A 98 -6.771 -10.455 -10.556 1.00 0.00 H new ATOM 1570 N ASP A 99 -9.830 -6.517 -9.800 1.00 0.00 N ATOM 1571 CA ASP A 99 -10.128 -5.183 -10.319 1.00 0.00 C ATOM 1572 C ASP A 99 -11.382 -4.593 -9.666 1.00 0.00 C ATOM 1573 O ASP A 99 -11.925 -3.586 -10.116 1.00 0.00 O ATOM 1574 CB ASP A 99 -10.243 -5.317 -11.843 1.00 0.00 C ATOM 1575 CG ASP A 99 -10.021 -4.045 -12.663 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -9.373 -3.089 -12.191 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -10.390 -4.094 -13.862 1.00 0.00 O ATOM 0 H ASP A 99 -10.511 -7.220 -10.086 1.00 0.00 H new ATOM 0 HA ASP A 99 -9.335 -4.476 -10.075 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.523 -6.065 -12.174 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -11.235 -5.704 -12.077 1.00 0.00 H new ATOM 1582 N ILE A 100 -11.839 -5.224 -8.585 1.00 0.00 N ATOM 1583 CA ILE A 100 -13.046 -4.868 -7.850 1.00 0.00 C ATOM 1584 C ILE A 100 -12.689 -4.570 -6.396 1.00 0.00 C ATOM 1585 O ILE A 100 -11.710 -5.072 -5.838 1.00 0.00 O ATOM 1586 CB ILE A 100 -14.124 -5.973 -8.044 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -14.981 -5.581 -9.266 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -15.038 -6.256 -6.832 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -15.967 -6.652 -9.732 1.00 0.00 C ATOM 0 H ILE A 100 -11.357 -6.029 -8.184 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.491 -3.953 -8.240 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.580 -6.907 -8.185 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.538 -4.675 -9.025 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.316 -5.335 -10.094 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.747 -7.043 -7.087 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.431 -6.575 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.582 -5.349 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -16.523 -6.284 -10.595 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.421 -7.553 -10.010 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -16.662 -6.883 -8.924 1.00 0.00 H new ATOM 1601 N GLU A 101 -13.543 -3.752 -5.795 1.00 0.00 N ATOM 1602 CA GLU A 101 -13.526 -3.362 -4.399 1.00 0.00 C ATOM 1603 C GLU A 101 -14.914 -3.700 -3.863 1.00 0.00 C ATOM 1604 O GLU A 101 -15.911 -3.192 -4.377 1.00 0.00 O ATOM 1605 CB GLU A 101 -13.200 -1.864 -4.310 1.00 0.00 C ATOM 1606 CG GLU A 101 -13.277 -1.326 -2.876 1.00 0.00 C ATOM 1607 CD GLU A 101 -12.703 0.100 -2.769 1.00 0.00 C ATOM 1608 OE1 GLU A 101 -13.176 1.017 -3.480 1.00 0.00 O ATOM 1609 OE2 GLU A 101 -11.773 0.318 -1.958 1.00 0.00 O ATOM 0 H GLU A 101 -14.313 -3.318 -6.305 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.770 -3.879 -3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.199 -1.690 -4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.893 -1.307 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.315 -1.326 -2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.728 -1.990 -2.209 1.00 0.00 H new ATOM 1616 N ALA A 102 -14.984 -4.595 -2.877 1.00 0.00 N ATOM 1617 CA ALA A 102 -16.249 -5.030 -2.306 1.00 0.00 C ATOM 1618 C ALA A 102 -16.795 -3.929 -1.397 1.00 0.00 C ATOM 1619 O ALA A 102 -16.043 -3.317 -0.634 1.00 0.00 O ATOM 1620 CB ALA A 102 -16.047 -6.325 -1.520 1.00 0.00 C ATOM 0 H ALA A 102 -14.165 -5.035 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 102 -16.967 -5.221 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -16.998 -6.645 -1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -15.668 -7.100 -2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.330 -6.155 -0.717 1.00 0.00 H new ATOM 1626 N ILE A 103 -18.107 -3.714 -1.459 1.00 0.00 N ATOM 1627 CA ILE A 103 -18.812 -2.677 -0.712 1.00 0.00 C ATOM 1628 C ILE A 103 -19.985 -3.323 0.031 1.00 0.00 C ATOM 1629 O ILE A 103 -20.702 -4.157 -0.523 1.00 0.00 O ATOM 1630 CB ILE A 103 -19.253 -1.568 -1.697 1.00 0.00 C ATOM 1631 CG1 ILE A 103 -18.010 -0.794 -2.191 1.00 0.00 C ATOM 1632 CG2 ILE A 103 -20.287 -0.596 -1.094 1.00 0.00 C ATOM 1633 CD1 ILE A 103 -18.304 0.159 -3.347 1.00 0.00 C ATOM 0 H ILE A 103 -18.726 -4.272 -2.047 1.00 0.00 H new ATOM 0 HA ILE A 103 -18.172 -2.208 0.036 1.00 0.00 H new ATOM 0 HB ILE A 103 -19.749 -2.059 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -17.592 -0.226 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -17.248 -1.508 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -20.554 0.157 -1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -21.179 -1.150 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -19.860 -0.107 -0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.386 0.668 -3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -18.694 -0.406 -4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -19.042 0.896 -3.032 1.00 0.00 H new ATOM 1645 N ASP A 104 -20.195 -2.878 1.276 1.00 0.00 N ATOM 1646 CA ASP A 104 -21.342 -3.220 2.125 1.00 0.00 C ATOM 1647 C ASP A 104 -21.575 -4.736 2.242 1.00 0.00 C ATOM 1648 O ASP A 104 -22.714 -5.209 2.288 1.00 0.00 O ATOM 1649 CB ASP A 104 -22.582 -2.423 1.682 1.00 0.00 C ATOM 1650 CG ASP A 104 -23.756 -2.548 2.672 1.00 0.00 C ATOM 1651 OD1 ASP A 104 -23.548 -2.396 3.898 1.00 0.00 O ATOM 1652 OD2 ASP A 104 -24.913 -2.731 2.228 1.00 0.00 O ATOM 0 H ASP A 104 -19.543 -2.244 1.738 1.00 0.00 H new ATOM 0 HA ASP A 104 -21.115 -2.917 3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -22.314 -1.372 1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -22.902 -2.773 0.700 1.00 0.00 H new ATOM 1657 N VAL A 105 -20.484 -5.510 2.275 1.00 0.00 N ATOM 1658 CA VAL A 105 -20.528 -6.968 2.385 1.00 0.00 C ATOM 1659 C VAL A 105 -20.111 -7.415 3.796 1.00 0.00 C ATOM 1660 O VAL A 105 -19.584 -6.619 4.580 1.00 0.00 O ATOM 1661 CB VAL A 105 -19.721 -7.594 1.226 1.00 0.00 C ATOM 1662 CG1 VAL A 105 -18.200 -7.628 1.443 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -20.267 -8.983 0.889 1.00 0.00 C ATOM 0 H VAL A 105 -19.537 -5.135 2.225 1.00 0.00 H new ATOM 0 HA VAL A 105 -21.546 -7.340 2.271 1.00 0.00 H new ATOM 0 HB VAL A 105 -19.861 -6.928 0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -17.719 -8.084 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -17.828 -6.611 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -17.973 -8.212 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -19.689 -9.412 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -20.189 -9.627 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -21.312 -8.901 0.591 1.00 0.00 H new ATOM 1673 N ASP A 106 -20.385 -8.679 4.134 1.00 0.00 N ATOM 1674 CA ASP A 106 -20.034 -9.262 5.427 1.00 0.00 C ATOM 1675 C ASP A 106 -18.518 -9.397 5.571 1.00 0.00 C ATOM 1676 O ASP A 106 -17.781 -9.449 4.583 1.00 0.00 O ATOM 1677 CB ASP A 106 -20.750 -10.607 5.653 1.00 0.00 C ATOM 1678 CG ASP A 106 -19.801 -11.815 5.750 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -19.388 -12.334 4.690 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -19.448 -12.213 6.884 1.00 0.00 O ATOM 0 H ASP A 106 -20.861 -9.330 3.510 1.00 0.00 H new ATOM 0 HA ASP A 106 -20.380 -8.582 6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -21.337 -10.545 6.570 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -21.452 -10.775 4.836 1.00 0.00 H new ATOM 1685 N ASP A 107 -18.066 -9.472 6.822 1.00 0.00 N ATOM 1686 CA ASP A 107 -16.655 -9.526 7.166 1.00 0.00 C ATOM 1687 C ASP A 107 -15.940 -10.705 6.512 1.00 0.00 C ATOM 1688 O ASP A 107 -14.837 -10.522 6.008 1.00 0.00 O ATOM 1689 CB ASP A 107 -16.500 -9.592 8.688 1.00 0.00 C ATOM 1690 CG ASP A 107 -15.021 -9.672 9.098 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -14.326 -8.632 9.049 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -14.571 -10.753 9.538 1.00 0.00 O ATOM 0 H ASP A 107 -18.683 -9.497 7.634 1.00 0.00 H new ATOM 0 HA ASP A 107 -16.188 -8.619 6.783 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -16.957 -8.712 9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -17.033 -10.462 9.072 1.00 0.00 H new ATOM 1697 N ASP A 108 -16.550 -11.895 6.470 1.00 0.00 N ATOM 1698 CA ASP A 108 -15.872 -13.083 5.949 1.00 0.00 C ATOM 1699 C ASP A 108 -15.698 -12.977 4.431 1.00 0.00 C ATOM 1700 O ASP A 108 -14.630 -13.283 3.899 1.00 0.00 O ATOM 1701 CB ASP A 108 -16.641 -14.361 6.321 1.00 0.00 C ATOM 1702 CG ASP A 108 -15.773 -15.635 6.316 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -14.525 -15.561 6.347 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -16.358 -16.740 6.373 1.00 0.00 O ATOM 0 H ASP A 108 -17.505 -12.059 6.789 1.00 0.00 H new ATOM 0 HA ASP A 108 -14.884 -13.141 6.406 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -17.079 -14.235 7.311 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -17.467 -14.493 5.622 1.00 0.00 H new ATOM 1709 N THR A 109 -16.722 -12.474 3.736 1.00 0.00 N ATOM 1710 CA THR A 109 -16.667 -12.178 2.313 1.00 0.00 C ATOM 1711 C THR A 109 -15.572 -11.143 2.038 1.00 0.00 C ATOM 1712 O THR A 109 -14.710 -11.379 1.189 1.00 0.00 O ATOM 1713 CB THR A 109 -18.051 -11.693 1.842 1.00 0.00 C ATOM 1714 OG1 THR A 109 -19.043 -12.647 2.146 1.00 0.00 O ATOM 1715 CG2 THR A 109 -18.091 -11.476 0.331 1.00 0.00 C ATOM 0 H THR A 109 -17.625 -12.260 4.159 1.00 0.00 H new ATOM 0 HA THR A 109 -16.414 -13.077 1.750 1.00 0.00 H new ATOM 0 HB THR A 109 -18.238 -10.752 2.360 1.00 0.00 H new ATOM 0 HG1 THR A 109 -19.374 -12.496 3.056 1.00 0.00 H new ATOM 0 HG21 THR A 109 -19.084 -11.134 0.039 1.00 0.00 H new ATOM 0 HG22 THR A 109 -17.352 -10.725 0.052 1.00 0.00 H new ATOM 0 HG23 THR A 109 -17.866 -12.414 -0.177 1.00 0.00 H new ATOM 1723 N GLN A 110 -15.573 -10.018 2.765 1.00 0.00 N ATOM 1724 CA GLN A 110 -14.595 -8.958 2.565 1.00 0.00 C ATOM 1725 C GLN A 110 -13.181 -9.509 2.785 1.00 0.00 C ATOM 1726 O GLN A 110 -12.308 -9.304 1.945 1.00 0.00 O ATOM 1727 CB GLN A 110 -14.914 -7.769 3.495 1.00 0.00 C ATOM 1728 CG GLN A 110 -14.440 -6.415 2.944 1.00 0.00 C ATOM 1729 CD GLN A 110 -12.923 -6.326 2.759 1.00 0.00 C ATOM 1730 OE1 GLN A 110 -12.159 -6.350 3.720 1.00 0.00 O ATOM 1731 NE2 GLN A 110 -12.456 -6.227 1.523 1.00 0.00 N ATOM 0 H GLN A 110 -16.250 -9.824 3.502 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.646 -8.591 1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -15.990 -7.727 3.662 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.447 -7.941 4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.926 -6.232 1.986 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -14.762 -5.624 3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -13.102 -6.208 0.734 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.451 -6.170 1.361 1.00 0.00 H new ATOM 1740 N GLU A 111 -12.958 -10.253 3.870 1.00 0.00 N ATOM 1741 CA GLU A 111 -11.652 -10.799 4.216 1.00 0.00 C ATOM 1742 C GLU A 111 -11.144 -11.776 3.154 1.00 0.00 C ATOM 1743 O GLU A 111 -9.940 -11.802 2.895 1.00 0.00 O ATOM 1744 CB GLU A 111 -11.721 -11.485 5.592 1.00 0.00 C ATOM 1745 CG GLU A 111 -11.725 -10.482 6.762 1.00 0.00 C ATOM 1746 CD GLU A 111 -10.345 -9.866 7.047 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -9.411 -10.005 6.225 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -10.151 -9.258 8.123 1.00 0.00 O ATOM 0 H GLU A 111 -13.690 -10.494 4.538 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.943 -9.972 4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.621 -12.098 5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.871 -12.158 5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.433 -9.682 6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.082 -10.985 7.660 1.00 0.00 H new ATOM 1755 N ALA A 112 -12.030 -12.551 2.518 1.00 0.00 N ATOM 1756 CA ALA A 112 -11.645 -13.486 1.466 1.00 0.00 C ATOM 1757 C ALA A 112 -11.221 -12.738 0.198 1.00 0.00 C ATOM 1758 O ALA A 112 -10.236 -13.105 -0.444 1.00 0.00 O ATOM 1759 CB ALA A 112 -12.812 -14.431 1.165 1.00 0.00 C ATOM 0 H ALA A 112 -13.030 -12.545 2.720 1.00 0.00 H new ATOM 0 HA ALA A 112 -10.792 -14.069 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.522 -15.128 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.072 -14.987 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.674 -13.851 0.836 1.00 0.00 H new ATOM 1765 N ILE A 113 -11.947 -11.676 -0.157 1.00 0.00 N ATOM 1766 CA ILE A 113 -11.628 -10.845 -1.315 1.00 0.00 C ATOM 1767 C ILE A 113 -10.302 -10.120 -1.052 1.00 0.00 C ATOM 1768 O ILE A 113 -9.432 -10.094 -1.925 1.00 0.00 O ATOM 1769 CB ILE A 113 -12.810 -9.891 -1.601 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -14.051 -10.716 -2.017 1.00 0.00 C ATOM 1771 CG2 ILE A 113 -12.453 -8.862 -2.690 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -15.349 -9.908 -2.033 1.00 0.00 C ATOM 0 H ILE A 113 -12.775 -11.369 0.353 1.00 0.00 H new ATOM 0 HA ILE A 113 -11.491 -11.446 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 113 -13.034 -9.336 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -13.882 -11.135 -3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -14.165 -11.556 -1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -13.307 -8.207 -2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -11.601 -8.267 -2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -12.199 -9.383 -3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -16.175 -10.552 -2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -15.543 -9.511 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -15.256 -9.084 -2.740 1.00 0.00 H new ATOM 1784 N ALA A 114 -10.113 -9.587 0.161 1.00 0.00 N ATOM 1785 CA ALA A 114 -8.855 -8.989 0.575 1.00 0.00 C ATOM 1786 C ALA A 114 -7.720 -10.007 0.448 1.00 0.00 C ATOM 1787 O ALA A 114 -6.636 -9.651 -0.005 1.00 0.00 O ATOM 1788 CB ALA A 114 -8.966 -8.463 2.010 1.00 0.00 C ATOM 0 H ALA A 114 -10.836 -9.562 0.880 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.629 -8.146 -0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -8.017 -8.017 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -9.753 -7.710 2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -9.207 -9.287 2.682 1.00 0.00 H new ATOM 1794 N ASP A 115 -7.971 -11.273 0.791 1.00 0.00 N ATOM 1795 CA ASP A 115 -6.953 -12.320 0.728 1.00 0.00 C ATOM 1796 C ASP A 115 -6.453 -12.537 -0.697 1.00 0.00 C ATOM 1797 O ASP A 115 -5.244 -12.635 -0.906 1.00 0.00 O ATOM 1798 CB ASP A 115 -7.453 -13.653 1.298 1.00 0.00 C ATOM 1799 CG ASP A 115 -6.269 -14.433 1.878 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -5.844 -14.051 2.993 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -5.791 -15.404 1.258 1.00 0.00 O ATOM 0 H ASP A 115 -8.881 -11.598 1.118 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.126 -11.969 1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -8.199 -13.473 2.072 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -7.939 -14.236 0.516 1.00 0.00 H new ATOM 1806 N TRP A 116 -7.364 -12.557 -1.679 1.00 0.00 N ATOM 1807 CA TRP A 116 -6.998 -12.652 -3.090 1.00 0.00 C ATOM 1808 C TRP A 116 -6.127 -11.462 -3.490 1.00 0.00 C ATOM 1809 O TRP A 116 -5.092 -11.642 -4.133 1.00 0.00 O ATOM 1810 CB TRP A 116 -8.255 -12.735 -3.973 1.00 0.00 C ATOM 1811 CG TRP A 116 -7.993 -12.554 -5.440 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -8.362 -11.481 -6.178 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -7.215 -13.402 -6.344 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -7.876 -11.611 -7.462 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -7.158 -12.772 -7.623 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -6.526 -14.625 -6.212 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -6.470 -13.326 -8.713 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -5.813 -15.178 -7.291 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -5.789 -14.540 -8.542 1.00 0.00 C ATOM 0 H TRP A 116 -8.369 -12.508 -1.514 1.00 0.00 H new ATOM 0 HA TRP A 116 -6.423 -13.565 -3.241 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -8.730 -13.703 -3.818 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -8.965 -11.975 -3.646 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -8.948 -10.649 -5.816 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -8.031 -10.928 -8.203 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -6.546 -15.146 -5.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.465 -12.825 -9.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -5.277 -16.106 -7.156 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -5.250 -14.981 -9.367 1.00 0.00 H new ATOM 1830 N LEU A 117 -6.528 -10.251 -3.093 1.00 0.00 N ATOM 1831 CA LEU A 117 -5.811 -9.033 -3.447 1.00 0.00 C ATOM 1832 C LEU A 117 -4.400 -9.058 -2.841 1.00 0.00 C ATOM 1833 O LEU A 117 -3.437 -8.743 -3.545 1.00 0.00 O ATOM 1834 CB LEU A 117 -6.605 -7.799 -2.982 1.00 0.00 C ATOM 1835 CG LEU A 117 -7.927 -7.591 -3.753 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -8.835 -6.617 -2.997 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -7.683 -7.063 -5.172 1.00 0.00 C ATOM 0 H LEU A 117 -7.356 -10.093 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.708 -8.975 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -6.825 -7.898 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.983 -6.912 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 117 -8.413 -8.564 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -9.763 -6.480 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.059 -7.020 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.330 -5.657 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.638 -6.930 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.164 -6.106 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.073 -7.777 -5.726 1.00 0.00 H new ATOM 1849 N TYR A 118 -4.259 -9.473 -1.573 1.00 0.00 N ATOM 1850 CA TYR A 118 -2.958 -9.612 -0.925 1.00 0.00 C ATOM 1851 C TYR A 118 -2.110 -10.626 -1.686 1.00 0.00 C ATOM 1852 O TYR A 118 -0.994 -10.309 -2.085 1.00 0.00 O ATOM 1853 CB TYR A 118 -3.076 -10.078 0.539 1.00 0.00 C ATOM 1854 CG TYR A 118 -3.888 -9.237 1.509 1.00 0.00 C ATOM 1855 CD1 TYR A 118 -3.920 -7.830 1.422 1.00 0.00 C ATOM 1856 CD2 TYR A 118 -4.589 -9.887 2.544 1.00 0.00 C ATOM 1857 CE1 TYR A 118 -4.665 -7.081 2.351 1.00 0.00 C ATOM 1858 CE2 TYR A 118 -5.347 -9.149 3.466 1.00 0.00 C ATOM 1859 CZ TYR A 118 -5.384 -7.740 3.376 1.00 0.00 C ATOM 1860 OH TYR A 118 -6.105 -7.033 4.290 1.00 0.00 O ATOM 0 H TYR A 118 -5.046 -9.720 -0.974 1.00 0.00 H new ATOM 0 HA TYR A 118 -2.493 -8.626 -0.933 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.503 -11.081 0.533 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.066 -10.164 0.941 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.371 -7.326 0.640 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.543 -10.963 2.629 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.688 -6.003 2.282 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.900 -9.657 4.242 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.534 -7.652 4.918 1.00 0.00 H new ATOM 1870 N TRP A 119 -2.637 -11.831 -1.914 1.00 0.00 N ATOM 1871 CA TRP A 119 -1.916 -12.915 -2.565 1.00 0.00 C ATOM 1872 C TRP A 119 -1.395 -12.482 -3.936 1.00 0.00 C ATOM 1873 O TRP A 119 -0.234 -12.734 -4.265 1.00 0.00 O ATOM 1874 CB TRP A 119 -2.848 -14.128 -2.691 1.00 0.00 C ATOM 1875 CG TRP A 119 -2.446 -15.118 -3.737 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -2.935 -15.145 -4.995 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -1.433 -16.169 -3.682 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -2.283 -16.106 -5.726 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -1.336 -16.767 -4.975 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -0.570 -16.662 -2.679 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.411 -17.784 -5.262 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 0.346 -17.697 -2.951 1.00 0.00 C ATOM 1883 CH2 TRP A 119 0.431 -18.254 -4.240 1.00 0.00 C ATOM 0 H TRP A 119 -3.589 -12.080 -1.646 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.050 -13.185 -1.961 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -2.893 -14.636 -1.728 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -3.855 -13.774 -2.913 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -3.721 -14.506 -5.370 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.476 -16.307 -6.707 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -0.613 -16.238 -1.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.348 -18.200 -6.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 0.988 -18.066 -2.164 1.00 0.00 H new ATOM 0 HH2 TRP A 119 1.142 -19.041 -4.444 1.00 0.00 H new ATOM 1894 N LEU A 120 -2.239 -11.807 -4.721 1.00 0.00 N ATOM 1895 CA LEU A 120 -1.917 -11.451 -6.090 1.00 0.00 C ATOM 1896 C LEU A 120 -0.718 -10.507 -6.106 1.00 0.00 C ATOM 1897 O LEU A 120 0.196 -10.677 -6.910 1.00 0.00 O ATOM 1898 CB LEU A 120 -3.150 -10.806 -6.741 1.00 0.00 C ATOM 1899 CG LEU A 120 -2.916 -10.365 -8.196 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -2.580 -11.552 -9.103 1.00 0.00 C ATOM 1901 CD2 LEU A 120 -4.180 -9.679 -8.715 1.00 0.00 C ATOM 0 H LEU A 120 -3.162 -11.496 -4.418 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.649 -12.340 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.978 -11.514 -6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.451 -9.940 -6.151 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.068 -9.680 -8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.422 -11.198 -10.122 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.674 -12.039 -8.744 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.405 -12.265 -9.090 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.025 -9.362 -9.746 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.016 -10.377 -8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.401 -8.808 -8.097 1.00 0.00 H new ATOM 1913 N ALA A 121 -0.713 -9.534 -5.192 1.00 0.00 N ATOM 1914 CA ALA A 121 0.375 -8.584 -5.041 1.00 0.00 C ATOM 1915 C ALA A 121 1.620 -9.231 -4.418 1.00 0.00 C ATOM 1916 O ALA A 121 2.741 -8.888 -4.791 1.00 0.00 O ATOM 1917 CB ALA A 121 -0.143 -7.431 -4.179 1.00 0.00 C ATOM 0 H ALA A 121 -1.476 -9.388 -4.532 1.00 0.00 H new ATOM 0 HA ALA A 121 0.688 -8.220 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.649 -6.694 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -0.994 -6.962 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -0.453 -7.814 -3.207 1.00 0.00 H new