USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 440 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 62 SER OG : rot 180:sc= 0.0219 USER MOD Set 1.2: A 63 ASN : amide:sc= -2 K(o=-2,f=-5.7!) USER MOD Set 2.1: A 24 ASN : amide:sc= 1.29 K(o=0.88,f=0.19) USER MOD Set 2.2: A 32 TYR OH : rot 165:sc= -0.404 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.767 F(o=-1.8!,f=-0.77) USER MOD Single : A 21 MET CE :methyl 177:sc= -0.719 (180deg=-0.742) USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= 1.15 (180deg=0.575) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -168:sc= -0.332 (180deg=-0.632) USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= 1.23 (180deg=1.13) USER MOD Single : A 58 GLN : amide:sc= 0.772 K(o=0.77,f=-0.67) USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= -0.0148 (180deg=-0.0863) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -164:sc= -0.0469 (180deg=-0.317) USER MOD ----------------------------------------------------------------- ATOM 283 N ASN A 18 -7.224 9.582 2.599 1.00 41.51 N ATOM 284 CA ASN A 18 -6.312 8.511 3.051 1.00 41.45 C ATOM 285 C ASN A 18 -5.849 7.630 1.870 1.00 74.15 C ATOM 286 O ASN A 18 -6.664 6.961 1.236 1.00 53.12 O ATOM 287 CB ASN A 18 -7.002 7.634 4.119 1.00 1.42 C ATOM 288 CG ASN A 18 -6.107 6.534 4.674 1.00 12.22 C ATOM 289 OD1 ASN A 18 -4.853 6.845 4.936 1.00 62.13 O flip ATOM 290 ND2 ASN A 18 -6.551 5.415 4.906 1.00 24.34 N flip ATOM 0 HA ASN A 18 -5.433 8.986 3.487 1.00 41.45 H new ATOM 0 HB2 ASN A 18 -7.334 8.269 4.940 1.00 1.42 H new ATOM 0 HB3 ASN A 18 -7.894 7.181 3.685 1.00 1.42 H new ATOM 0 HD21 ASN A 18 -7.525 5.199 4.694 1.00 24.34 H new ATOM 0 HD22 ASN A 18 -5.946 4.700 5.311 1.00 24.34 H new ATOM 297 N PRO A 19 -4.529 7.594 1.570 1.00 43.04 N ATOM 298 CA PRO A 19 -3.984 6.827 0.428 1.00 12.32 C ATOM 299 C PRO A 19 -4.553 5.402 0.306 1.00 31.11 C ATOM 300 O PRO A 19 -4.769 4.905 -0.798 1.00 51.51 O ATOM 301 CB PRO A 19 -2.465 6.781 0.710 1.00 51.31 C ATOM 302 CG PRO A 19 -2.292 7.351 2.082 1.00 22.32 C ATOM 303 CD PRO A 19 -3.453 8.283 2.293 1.00 45.00 C ATOM 0 HA PRO A 19 -4.249 7.300 -0.518 1.00 12.32 H new ATOM 0 HB2 PRO A 19 -2.088 5.760 0.660 1.00 51.31 H new ATOM 0 HB3 PRO A 19 -1.912 7.362 -0.028 1.00 51.31 H new ATOM 0 HG2 PRO A 19 -2.283 6.562 2.834 1.00 22.32 H new ATOM 0 HG3 PRO A 19 -1.344 7.883 2.167 1.00 22.32 H new ATOM 0 HD2 PRO A 19 -3.688 8.411 3.350 1.00 45.00 H new ATOM 0 HD3 PRO A 19 -3.259 9.276 1.887 1.00 45.00 H new ATOM 311 N VAL A 20 -4.792 4.755 1.445 1.00 72.44 N ATOM 312 CA VAL A 20 -5.351 3.396 1.460 1.00 70.23 C ATOM 313 C VAL A 20 -6.745 3.349 0.809 1.00 51.33 C ATOM 314 O VAL A 20 -6.961 2.642 -0.179 1.00 61.41 O ATOM 315 CB VAL A 20 -5.450 2.848 2.908 1.00 13.51 C ATOM 316 CG1 VAL A 20 -5.951 1.406 2.914 1.00 64.12 C ATOM 317 CG2 VAL A 20 -4.105 2.956 3.616 1.00 65.43 C ATOM 0 H VAL A 20 -4.609 5.145 2.370 1.00 72.44 H new ATOM 0 HA VAL A 20 -4.670 2.771 0.882 1.00 70.23 H new ATOM 0 HB VAL A 20 -6.173 3.457 3.451 1.00 13.51 H new ATOM 0 HG11 VAL A 20 -6.011 1.046 3.941 1.00 64.12 H new ATOM 0 HG12 VAL A 20 -6.939 1.362 2.456 1.00 64.12 H new ATOM 0 HG13 VAL A 20 -5.261 0.779 2.350 1.00 64.12 H new ATOM 0 HG21 VAL A 20 -4.195 2.567 4.630 1.00 65.43 H new ATOM 0 HG22 VAL A 20 -3.359 2.378 3.070 1.00 65.43 H new ATOM 0 HG23 VAL A 20 -3.797 4.001 3.655 1.00 65.43 H new ATOM 327 N MET A 21 -7.690 4.114 1.357 1.00 54.33 N ATOM 328 CA MET A 21 -9.051 4.155 0.811 1.00 5.40 C ATOM 329 C MET A 21 -9.053 4.699 -0.623 1.00 2.43 C ATOM 330 O MET A 21 -9.756 4.180 -1.489 1.00 4.43 O ATOM 331 CB MET A 21 -9.971 5.002 1.701 1.00 60.23 C ATOM 332 CG MET A 21 -10.100 4.478 3.128 1.00 3.22 C ATOM 333 SD MET A 21 -11.391 5.324 4.075 1.00 11.35 S ATOM 334 CE MET A 21 -10.810 7.020 4.034 1.00 44.34 C ATOM 0 H MET A 21 -7.542 4.710 2.172 1.00 54.33 H new ATOM 0 HA MET A 21 -9.431 3.134 0.791 1.00 5.40 H new ATOM 0 HB2 MET A 21 -9.592 6.023 1.732 1.00 60.23 H new ATOM 0 HB3 MET A 21 -10.962 5.044 1.248 1.00 60.23 H new ATOM 0 HG2 MET A 21 -10.318 3.410 3.099 1.00 3.22 H new ATOM 0 HG3 MET A 21 -9.145 4.595 3.640 1.00 3.22 H new ATOM 0 HE1 MET A 21 -11.534 7.665 4.533 1.00 44.34 H new ATOM 0 HE2 MET A 21 -9.850 7.088 4.546 1.00 44.34 H new ATOM 0 HE3 MET A 21 -10.693 7.339 2.998 1.00 44.34 H new ATOM 344 N GLU A 22 -8.256 5.738 -0.867 1.00 32.21 N ATOM 345 CA GLU A 22 -8.090 6.290 -2.217 1.00 1.31 C ATOM 346 C GLU A 22 -7.697 5.195 -3.220 1.00 34.31 C ATOM 347 O GLU A 22 -8.352 5.013 -4.242 1.00 20.13 O ATOM 348 CB GLU A 22 -7.021 7.394 -2.226 1.00 21.54 C ATOM 349 CG GLU A 22 -6.712 7.940 -3.620 1.00 4.10 C ATOM 350 CD GLU A 22 -7.851 8.765 -4.207 1.00 2.12 C ATOM 351 OE1 GLU A 22 -8.797 8.176 -4.764 1.00 52.31 O ATOM 352 OE2 GLU A 22 -7.796 10.007 -4.131 1.00 15.52 O ATOM 0 H GLU A 22 -7.713 6.217 -0.149 1.00 32.21 H new ATOM 0 HA GLU A 22 -9.049 6.714 -2.515 1.00 1.31 H new ATOM 0 HB2 GLU A 22 -7.353 8.214 -1.590 1.00 21.54 H new ATOM 0 HB3 GLU A 22 -6.103 7.002 -1.787 1.00 21.54 H new ATOM 0 HG2 GLU A 22 -5.814 8.555 -3.571 1.00 4.10 H new ATOM 0 HG3 GLU A 22 -6.492 7.108 -4.289 1.00 4.10 H new ATOM 359 N LEU A 23 -6.631 4.461 -2.908 1.00 63.44 N ATOM 360 CA LEU A 23 -6.141 3.389 -3.779 1.00 72.11 C ATOM 361 C LEU A 23 -7.225 2.322 -4.024 1.00 52.33 C ATOM 362 O LEU A 23 -7.300 1.740 -5.107 1.00 20.43 O ATOM 363 CB LEU A 23 -4.883 2.751 -3.172 1.00 11.45 C ATOM 364 CG LEU A 23 -4.171 1.719 -4.060 1.00 14.14 C ATOM 365 CD1 LEU A 23 -3.718 2.347 -5.376 1.00 13.25 C ATOM 366 CD2 LEU A 23 -2.988 1.098 -3.321 1.00 23.24 C ATOM 0 H LEU A 23 -6.086 4.588 -2.055 1.00 63.44 H new ATOM 0 HA LEU A 23 -5.887 3.827 -4.744 1.00 72.11 H new ATOM 0 HB2 LEU A 23 -4.176 3.544 -2.928 1.00 11.45 H new ATOM 0 HB3 LEU A 23 -5.158 2.269 -2.234 1.00 11.45 H new ATOM 0 HG LEU A 23 -4.883 0.927 -4.294 1.00 14.14 H new ATOM 0 HD11 LEU A 23 -3.217 1.594 -5.985 1.00 13.25 H new ATOM 0 HD12 LEU A 23 -4.585 2.730 -5.914 1.00 13.25 H new ATOM 0 HD13 LEU A 23 -3.028 3.165 -5.170 1.00 13.25 H new ATOM 0 HD21 LEU A 23 -2.497 0.370 -3.967 1.00 23.24 H new ATOM 0 HD22 LEU A 23 -2.278 1.879 -3.050 1.00 23.24 H new ATOM 0 HD23 LEU A 23 -3.343 0.601 -2.418 1.00 23.24 H new ATOM 378 N ASN A 24 -8.077 2.085 -3.026 1.00 20.41 N ATOM 379 CA ASN A 24 -9.189 1.134 -3.173 1.00 12.14 C ATOM 380 C ASN A 24 -10.316 1.721 -4.043 1.00 21.32 C ATOM 381 O ASN A 24 -11.096 0.986 -4.655 1.00 15.54 O ATOM 382 CB ASN A 24 -9.722 0.721 -1.794 1.00 1.52 C ATOM 383 CG ASN A 24 -8.881 -0.375 -1.156 1.00 10.20 C ATOM 384 OD1 ASN A 24 -9.147 -1.562 -1.326 1.00 23.23 O ATOM 385 ND2 ASN A 24 -7.857 0.007 -0.421 1.00 52.31 N ATOM 0 H ASN A 24 -8.023 2.533 -2.111 1.00 20.41 H new ATOM 0 HA ASN A 24 -8.811 0.246 -3.680 1.00 12.14 H new ATOM 0 HB2 ASN A 24 -9.740 1.591 -1.138 1.00 1.52 H new ATOM 0 HB3 ASN A 24 -10.751 0.376 -1.893 1.00 1.52 H new ATOM 0 HD21 ASN A 24 -7.261 -0.690 0.025 1.00 52.31 H new ATOM 0 HD22 ASN A 24 -7.660 1.000 -0.297 1.00 52.31 H new ATOM 392 N GLU A 25 -10.403 3.050 -4.081 1.00 22.03 N ATOM 393 CA GLU A 25 -11.322 3.754 -4.987 1.00 3.41 C ATOM 394 C GLU A 25 -10.730 3.843 -6.402 1.00 34.03 C ATOM 395 O GLU A 25 -11.454 3.844 -7.402 1.00 64.21 O ATOM 396 CB GLU A 25 -11.599 5.164 -4.451 1.00 4.51 C ATOM 397 CG GLU A 25 -12.272 5.179 -3.084 1.00 14.13 C ATOM 398 CD GLU A 25 -13.720 4.717 -3.137 1.00 74.04 C ATOM 399 OE1 GLU A 25 -14.563 5.448 -3.700 1.00 1.21 O ATOM 400 OE2 GLU A 25 -14.027 3.624 -2.613 1.00 43.23 O ATOM 0 H GLU A 25 -9.845 3.668 -3.492 1.00 22.03 H new ATOM 0 HA GLU A 25 -12.255 3.193 -5.037 1.00 3.41 H new ATOM 0 HB2 GLU A 25 -10.658 5.711 -4.389 1.00 4.51 H new ATOM 0 HB3 GLU A 25 -12.230 5.696 -5.163 1.00 4.51 H new ATOM 0 HG2 GLU A 25 -11.715 4.536 -2.402 1.00 14.13 H new ATOM 0 HG3 GLU A 25 -12.232 6.189 -2.675 1.00 14.13 H new ATOM 407 N LYS A 26 -9.406 3.928 -6.469 1.00 24.14 N ATOM 408 CA LYS A 26 -8.682 3.972 -7.737 1.00 62.34 C ATOM 409 C LYS A 26 -8.641 2.586 -8.404 1.00 42.22 C ATOM 410 O LYS A 26 -8.680 2.476 -9.632 1.00 75.01 O ATOM 411 CB LYS A 26 -7.262 4.512 -7.501 1.00 40.12 C ATOM 412 CG LYS A 26 -7.207 6.016 -7.225 1.00 14.10 C ATOM 413 CD LYS A 26 -7.616 6.831 -8.450 1.00 72.35 C ATOM 414 CE LYS A 26 -7.457 8.334 -8.228 1.00 51.05 C ATOM 415 NZ LYS A 26 -8.523 8.897 -7.358 1.00 5.21 N ATOM 0 H LYS A 26 -8.803 3.968 -5.647 1.00 24.14 H new ATOM 0 HA LYS A 26 -9.208 4.642 -8.417 1.00 62.34 H new ATOM 0 HB2 LYS A 26 -6.818 3.982 -6.659 1.00 40.12 H new ATOM 0 HB3 LYS A 26 -6.650 4.291 -8.375 1.00 40.12 H new ATOM 0 HG2 LYS A 26 -7.866 6.257 -6.391 1.00 14.10 H new ATOM 0 HG3 LYS A 26 -6.197 6.294 -6.924 1.00 14.10 H new ATOM 0 HD2 LYS A 26 -7.011 6.527 -9.304 1.00 72.35 H new ATOM 0 HD3 LYS A 26 -8.654 6.611 -8.700 1.00 72.35 H new ATOM 0 HE2 LYS A 26 -6.484 8.531 -7.778 1.00 51.05 H new ATOM 0 HE3 LYS A 26 -7.472 8.844 -9.191 1.00 51.05 H new ATOM 0 HZ1 LYS A 26 -8.256 9.856 -7.059 1.00 5.21 H new ATOM 0 HZ2 LYS A 26 -9.418 8.936 -7.886 1.00 5.21 H new ATOM 0 HZ3 LYS A 26 -8.642 8.293 -6.520 1.00 5.21 H new ATOM 429 N ARG A 27 -8.563 1.535 -7.583 1.00 34.44 N ATOM 430 CA ARG A 27 -8.605 0.143 -8.059 1.00 53.12 C ATOM 431 C ARG A 27 -9.350 -0.764 -7.068 1.00 44.23 C ATOM 432 O ARG A 27 -9.089 -0.734 -5.867 1.00 43.23 O ATOM 433 CB ARG A 27 -7.186 -0.408 -8.275 1.00 1.11 C ATOM 434 CG ARG A 27 -6.466 0.159 -9.490 1.00 44.44 C ATOM 435 CD ARG A 27 -7.246 -0.092 -10.778 1.00 34.53 C ATOM 436 NE ARG A 27 -6.472 0.246 -11.968 1.00 23.01 N ATOM 437 CZ ARG A 27 -6.955 0.874 -13.007 1.00 21.11 C ATOM 438 NH1 ARG A 27 -8.173 1.317 -13.005 1.00 75.32 N ATOM 439 NH2 ARG A 27 -6.208 1.071 -14.044 1.00 11.32 N ATOM 0 H ARG A 27 -8.469 1.621 -6.571 1.00 34.44 H new ATOM 0 HA ARG A 27 -9.140 0.146 -9.009 1.00 53.12 H new ATOM 0 HB2 ARG A 27 -6.590 -0.200 -7.386 1.00 1.11 H new ATOM 0 HB3 ARG A 27 -7.242 -1.492 -8.375 1.00 1.11 H new ATOM 0 HG2 ARG A 27 -6.318 1.231 -9.358 1.00 44.44 H new ATOM 0 HG3 ARG A 27 -5.477 -0.292 -9.570 1.00 44.44 H new ATOM 0 HD2 ARG A 27 -7.540 -1.141 -10.824 1.00 34.53 H new ATOM 0 HD3 ARG A 27 -8.164 0.496 -10.765 1.00 34.53 H new ATOM 0 HE ARG A 27 -5.489 -0.026 -11.990 1.00 23.01 H new ATOM 0 HH11 ARG A 27 -8.765 1.177 -12.187 1.00 75.32 H new ATOM 0 HH12 ARG A 27 -8.539 1.806 -13.822 1.00 75.32 H new ATOM 0 HH21 ARG A 27 -5.244 0.736 -14.049 1.00 11.32 H new ATOM 0 HH22 ARG A 27 -6.582 1.561 -14.857 1.00 11.32 H new ATOM 453 N ARG A 28 -10.271 -1.577 -7.579 1.00 24.01 N ATOM 454 CA ARG A 28 -11.007 -2.540 -6.748 1.00 71.25 C ATOM 455 C ARG A 28 -10.347 -3.931 -6.775 1.00 75.03 C ATOM 456 O ARG A 28 -9.823 -4.362 -7.806 1.00 64.34 O ATOM 457 CB ARG A 28 -12.459 -2.664 -7.229 1.00 4.54 C ATOM 458 CG ARG A 28 -13.303 -1.401 -7.063 1.00 63.20 C ATOM 459 CD ARG A 28 -13.448 -0.985 -5.600 1.00 54.11 C ATOM 460 NE ARG A 28 -14.655 -0.184 -5.382 1.00 11.45 N ATOM 461 CZ ARG A 28 -14.714 0.875 -4.626 1.00 3.32 C ATOM 462 NH1 ARG A 28 -13.651 1.338 -4.054 1.00 31.21 N ATOM 463 NH2 ARG A 28 -15.845 1.477 -4.450 1.00 40.11 N ATOM 0 H ARG A 28 -10.529 -1.592 -8.566 1.00 24.01 H new ATOM 0 HA ARG A 28 -10.988 -2.165 -5.725 1.00 71.25 H new ATOM 0 HB2 ARG A 28 -12.455 -2.944 -8.282 1.00 4.54 H new ATOM 0 HB3 ARG A 28 -12.938 -3.478 -6.685 1.00 4.54 H new ATOM 0 HG2 ARG A 28 -12.847 -0.586 -7.626 1.00 63.20 H new ATOM 0 HG3 ARG A 28 -14.292 -1.569 -7.490 1.00 63.20 H new ATOM 0 HD2 ARG A 28 -13.483 -1.874 -4.970 1.00 54.11 H new ATOM 0 HD3 ARG A 28 -12.572 -0.413 -5.296 1.00 54.11 H new ATOM 0 HE ARG A 28 -15.510 -0.476 -5.856 1.00 11.45 H new ATOM 0 HH11 ARG A 28 -12.754 0.873 -4.193 1.00 31.21 H new ATOM 0 HH12 ARG A 28 -13.710 2.168 -3.464 1.00 31.21 H new ATOM 0 HH21 ARG A 28 -16.687 1.122 -4.903 1.00 40.11 H new ATOM 0 HH22 ARG A 28 -15.895 2.307 -3.859 1.00 40.11 H new ATOM 477 N GLY A 29 -10.385 -4.631 -5.642 1.00 35.34 N ATOM 478 CA GLY A 29 -9.874 -6.000 -5.575 1.00 51.13 C ATOM 479 C GLY A 29 -8.374 -6.083 -5.307 1.00 1.00 C ATOM 480 O GLY A 29 -7.685 -6.950 -5.849 1.00 43.35 O ATOM 0 H GLY A 29 -10.762 -4.276 -4.763 1.00 35.34 H new ATOM 0 HA2 GLY A 29 -10.405 -6.538 -4.790 1.00 51.13 H new ATOM 0 HA3 GLY A 29 -10.095 -6.507 -6.514 1.00 51.13 H new ATOM 484 N LEU A 30 -7.865 -5.188 -4.467 1.00 54.42 N ATOM 485 CA LEU A 30 -6.432 -5.149 -4.156 1.00 52.30 C ATOM 486 C LEU A 30 -6.093 -5.973 -2.901 1.00 43.03 C ATOM 487 O LEU A 30 -6.938 -6.178 -2.023 1.00 51.24 O ATOM 488 CB LEU A 30 -5.973 -3.702 -3.956 1.00 53.50 C ATOM 489 CG LEU A 30 -6.342 -2.735 -5.092 1.00 64.31 C ATOM 490 CD1 LEU A 30 -5.870 -1.322 -4.767 1.00 64.14 C ATOM 491 CD2 LEU A 30 -5.751 -3.213 -6.419 1.00 43.44 C ATOM 0 H LEU A 30 -8.419 -4.479 -3.987 1.00 54.42 H new ATOM 0 HA LEU A 30 -5.905 -5.591 -5.002 1.00 52.30 H new ATOM 0 HB2 LEU A 30 -6.403 -3.327 -3.027 1.00 53.50 H new ATOM 0 HB3 LEU A 30 -4.890 -3.695 -3.832 1.00 53.50 H new ATOM 0 HG LEU A 30 -7.427 -2.717 -5.190 1.00 64.31 H new ATOM 0 HD11 LEU A 30 -6.140 -0.651 -5.583 1.00 64.14 H new ATOM 0 HD12 LEU A 30 -6.344 -0.983 -3.846 1.00 64.14 H new ATOM 0 HD13 LEU A 30 -4.788 -1.320 -4.639 1.00 64.14 H new ATOM 0 HD21 LEU A 30 -6.023 -2.515 -7.211 1.00 43.44 H new ATOM 0 HD22 LEU A 30 -4.665 -3.263 -6.337 1.00 43.44 H new ATOM 0 HD23 LEU A 30 -6.143 -4.202 -6.656 1.00 43.44 H new ATOM 503 N LYS A 31 -4.844 -6.416 -2.818 1.00 42.23 N ATOM 504 CA LYS A 31 -4.369 -7.229 -1.687 1.00 63.04 C ATOM 505 C LYS A 31 -3.414 -6.433 -0.785 1.00 1.25 C ATOM 506 O LYS A 31 -2.456 -5.840 -1.270 1.00 13.01 O ATOM 507 CB LYS A 31 -3.643 -8.487 -2.197 1.00 73.21 C ATOM 508 CG LYS A 31 -3.039 -9.340 -1.081 1.00 35.52 C ATOM 509 CD LYS A 31 -2.092 -10.412 -1.619 1.00 31.44 C ATOM 510 CE LYS A 31 -2.814 -11.477 -2.436 1.00 31.12 C ATOM 511 NZ LYS A 31 -1.875 -12.527 -2.914 1.00 25.13 N ATOM 0 H LYS A 31 -4.131 -6.228 -3.523 1.00 42.23 H new ATOM 0 HA LYS A 31 -5.244 -7.517 -1.105 1.00 63.04 H new ATOM 0 HB2 LYS A 31 -4.345 -9.095 -2.768 1.00 73.21 H new ATOM 0 HB3 LYS A 31 -2.851 -8.186 -2.882 1.00 73.21 H new ATOM 0 HG2 LYS A 31 -2.499 -8.696 -0.387 1.00 35.52 H new ATOM 0 HG3 LYS A 31 -3.841 -9.816 -0.516 1.00 35.52 H new ATOM 0 HD2 LYS A 31 -1.329 -9.940 -2.238 1.00 31.44 H new ATOM 0 HD3 LYS A 31 -1.576 -10.887 -0.785 1.00 31.44 H new ATOM 0 HE2 LYS A 31 -3.595 -11.935 -1.829 1.00 31.12 H new ATOM 0 HE3 LYS A 31 -3.306 -11.011 -3.290 1.00 31.12 H new ATOM 0 HZ1 LYS A 31 -2.399 -13.236 -3.466 1.00 25.13 H new ATOM 0 HZ2 LYS A 31 -1.144 -12.093 -3.513 1.00 25.13 H new ATOM 0 HZ3 LYS A 31 -1.425 -12.988 -2.098 1.00 25.13 H new ATOM 525 N TYR A 32 -3.685 -6.429 0.521 1.00 10.03 N ATOM 526 CA TYR A 32 -2.779 -5.828 1.515 1.00 42.14 C ATOM 527 C TYR A 32 -2.270 -6.893 2.504 1.00 73.24 C ATOM 528 O TYR A 32 -3.041 -7.416 3.309 1.00 61.12 O ATOM 529 CB TYR A 32 -3.495 -4.714 2.298 1.00 75.41 C ATOM 530 CG TYR A 32 -3.837 -3.479 1.483 1.00 13.13 C ATOM 531 CD1 TYR A 32 -4.967 -3.444 0.671 1.00 54.13 C ATOM 532 CD2 TYR A 32 -3.037 -2.341 1.539 1.00 11.23 C ATOM 533 CE1 TYR A 32 -5.286 -2.314 -0.057 1.00 43.41 C ATOM 534 CE2 TYR A 32 -3.354 -1.207 0.817 1.00 34.30 C ATOM 535 CZ TYR A 32 -4.477 -1.200 0.020 1.00 31.54 C ATOM 536 OH TYR A 32 -4.804 -0.069 -0.692 1.00 54.45 O ATOM 0 H TYR A 32 -4.529 -6.837 0.922 1.00 10.03 H new ATOM 0 HA TYR A 32 -1.932 -5.404 0.977 1.00 42.14 H new ATOM 0 HB2 TYR A 32 -4.415 -5.120 2.720 1.00 75.41 H new ATOM 0 HB3 TYR A 32 -2.865 -4.416 3.136 1.00 75.41 H new ATOM 0 HD1 TYR A 32 -5.604 -4.314 0.609 1.00 54.13 H new ATOM 0 HD2 TYR A 32 -2.152 -2.345 2.158 1.00 11.23 H new ATOM 0 HE1 TYR A 32 -6.165 -2.303 -0.684 1.00 43.41 H new ATOM 0 HE2 TYR A 32 -2.725 -0.331 0.877 1.00 34.30 H new ATOM 0 HH TYR A 32 -4.286 0.691 -0.354 1.00 54.45 H new ATOM 546 N GLU A 33 -0.979 -7.217 2.446 1.00 11.32 N ATOM 547 CA GLU A 33 -0.395 -8.201 3.374 1.00 41.55 C ATOM 548 C GLU A 33 0.839 -7.638 4.099 1.00 14.24 C ATOM 549 O GLU A 33 1.379 -6.595 3.726 1.00 23.22 O ATOM 550 CB GLU A 33 -0.032 -9.500 2.636 1.00 42.11 C ATOM 551 CG GLU A 33 1.088 -9.347 1.616 1.00 5.43 C ATOM 552 CD GLU A 33 1.446 -10.664 0.946 1.00 21.43 C ATOM 553 OE1 GLU A 33 0.820 -11.010 -0.079 1.00 3.23 O ATOM 554 OE2 GLU A 33 2.339 -11.373 1.457 1.00 65.22 O ATOM 0 H GLU A 33 -0.319 -6.821 1.777 1.00 11.32 H new ATOM 0 HA GLU A 33 -1.152 -8.424 4.126 1.00 41.55 H new ATOM 0 HB2 GLU A 33 0.260 -10.252 3.369 1.00 42.11 H new ATOM 0 HB3 GLU A 33 -0.920 -9.877 2.129 1.00 42.11 H new ATOM 0 HG2 GLU A 33 0.787 -8.626 0.856 1.00 5.43 H new ATOM 0 HG3 GLU A 33 1.972 -8.941 2.109 1.00 5.43 H new ATOM 561 N LEU A 34 1.278 -8.341 5.138 1.00 65.43 N ATOM 562 CA LEU A 34 2.395 -7.887 5.977 1.00 0.20 C ATOM 563 C LEU A 34 3.727 -8.520 5.536 1.00 13.33 C ATOM 564 O LEU A 34 3.850 -9.742 5.460 1.00 0.13 O ATOM 565 CB LEU A 34 2.109 -8.240 7.446 1.00 52.40 C ATOM 566 CG LEU A 34 3.170 -7.781 8.463 1.00 0.21 C ATOM 567 CD1 LEU A 34 3.217 -6.256 8.564 1.00 61.53 C ATOM 568 CD2 LEU A 34 2.906 -8.410 9.827 1.00 30.10 C ATOM 0 H LEU A 34 0.878 -9.234 5.425 1.00 65.43 H new ATOM 0 HA LEU A 34 2.487 -6.807 5.866 1.00 0.20 H new ATOM 0 HB2 LEU A 34 1.151 -7.802 7.726 1.00 52.40 H new ATOM 0 HB3 LEU A 34 2.000 -9.322 7.526 1.00 52.40 H new ATOM 0 HG LEU A 34 4.145 -8.117 8.111 1.00 0.21 H new ATOM 0 HD11 LEU A 34 3.975 -5.963 9.290 1.00 61.53 H new ATOM 0 HD12 LEU A 34 3.465 -5.834 7.590 1.00 61.53 H new ATOM 0 HD13 LEU A 34 2.244 -5.882 8.885 1.00 61.53 H new ATOM 0 HD21 LEU A 34 3.665 -8.076 10.535 1.00 30.10 H new ATOM 0 HD22 LEU A 34 1.920 -8.109 10.182 1.00 30.10 H new ATOM 0 HD23 LEU A 34 2.944 -9.496 9.740 1.00 30.10 H new ATOM 580 N ILE A 35 4.720 -7.683 5.243 1.00 21.32 N ATOM 581 CA ILE A 35 6.053 -8.163 4.858 1.00 15.35 C ATOM 582 C ILE A 35 6.975 -8.270 6.081 1.00 4.41 C ATOM 583 O ILE A 35 7.599 -9.308 6.322 1.00 52.41 O ATOM 584 CB ILE A 35 6.703 -7.224 3.810 1.00 72.24 C ATOM 585 CG1 ILE A 35 5.800 -7.095 2.573 1.00 30.43 C ATOM 586 CG2 ILE A 35 8.095 -7.722 3.417 1.00 25.03 C ATOM 587 CD1 ILE A 35 5.506 -8.416 1.880 1.00 21.32 C ATOM 0 H ILE A 35 4.630 -6.667 5.264 1.00 21.32 H new ATOM 0 HA ILE A 35 5.925 -9.153 4.419 1.00 15.35 H new ATOM 0 HB ILE A 35 6.816 -6.237 4.259 1.00 72.24 H new ATOM 0 HG12 ILE A 35 4.858 -6.635 2.870 1.00 30.43 H new ATOM 0 HG13 ILE A 35 6.273 -6.420 1.860 1.00 30.43 H new ATOM 0 HG21 ILE A 35 8.529 -7.046 2.681 1.00 25.03 H new ATOM 0 HG22 ILE A 35 8.733 -7.754 4.300 1.00 25.03 H new ATOM 0 HG23 ILE A 35 8.017 -8.722 2.989 1.00 25.03 H new ATOM 0 HD11 ILE A 35 4.863 -8.239 1.018 1.00 21.32 H new ATOM 0 HD12 ILE A 35 6.440 -8.869 1.549 1.00 21.32 H new ATOM 0 HD13 ILE A 35 5.003 -9.088 2.576 1.00 21.32 H new ATOM 599 N SER A 36 7.052 -7.190 6.855 1.00 45.41 N ATOM 600 CA SER A 36 7.887 -7.152 8.066 1.00 1.03 C ATOM 601 C SER A 36 7.199 -6.355 9.177 1.00 25.22 C ATOM 602 O SER A 36 6.485 -5.392 8.905 1.00 63.12 O ATOM 603 CB SER A 36 9.257 -6.533 7.761 1.00 72.11 C ATOM 604 OG SER A 36 10.096 -6.546 8.908 1.00 11.01 O ATOM 0 H SER A 36 6.547 -6.324 6.669 1.00 45.41 H new ATOM 0 HA SER A 36 8.029 -8.179 8.404 1.00 1.03 H new ATOM 0 HB2 SER A 36 9.735 -7.084 6.951 1.00 72.11 H new ATOM 0 HB3 SER A 36 9.126 -5.508 7.415 1.00 72.11 H new ATOM 0 HG SER A 36 10.963 -6.147 8.684 1.00 11.01 H new ATOM 740 N PHE A 46 6.945 -1.116 10.501 1.00 0.51 N ATOM 741 CA PHE A 46 6.072 -2.071 9.812 1.00 64.14 C ATOM 742 C PHE A 46 6.149 -1.881 8.291 1.00 42.35 C ATOM 743 O PHE A 46 6.046 -0.760 7.797 1.00 14.41 O ATOM 744 CB PHE A 46 4.614 -1.886 10.270 1.00 51.10 C ATOM 745 CG PHE A 46 4.356 -2.216 11.723 1.00 50.23 C ATOM 746 CD1 PHE A 46 5.171 -1.719 12.735 1.00 24.31 C ATOM 747 CD2 PHE A 46 3.286 -3.025 12.075 1.00 0.32 C ATOM 748 CE1 PHE A 46 4.923 -2.025 14.060 1.00 34.10 C ATOM 749 CE2 PHE A 46 3.035 -3.330 13.397 1.00 20.00 C ATOM 750 CZ PHE A 46 3.853 -2.831 14.389 1.00 3.42 C ATOM 0 HA PHE A 46 6.410 -3.076 10.063 1.00 64.14 H new ATOM 0 HB2 PHE A 46 4.320 -0.852 10.090 1.00 51.10 H new ATOM 0 HB3 PHE A 46 3.972 -2.512 9.651 1.00 51.10 H new ATOM 0 HD1 PHE A 46 6.009 -1.086 12.482 1.00 24.31 H new ATOM 0 HD2 PHE A 46 2.641 -3.421 11.305 1.00 0.32 H new ATOM 0 HE1 PHE A 46 5.565 -1.634 14.835 1.00 34.10 H new ATOM 0 HE2 PHE A 46 2.197 -3.960 13.655 1.00 20.00 H new ATOM 0 HZ PHE A 46 3.656 -3.071 15.423 1.00 3.42 H new ATOM 760 N VAL A 47 6.324 -2.974 7.557 1.00 64.44 N ATOM 761 CA VAL A 47 6.364 -2.933 6.090 1.00 23.32 C ATOM 762 C VAL A 47 5.207 -3.742 5.483 1.00 21.15 C ATOM 763 O VAL A 47 5.151 -4.966 5.622 1.00 25.13 O ATOM 764 CB VAL A 47 7.708 -3.477 5.540 1.00 11.32 C ATOM 765 CG1 VAL A 47 7.747 -3.383 4.012 1.00 61.12 C ATOM 766 CG2 VAL A 47 8.891 -2.730 6.165 1.00 55.11 C ATOM 0 H VAL A 47 6.442 -3.907 7.952 1.00 64.44 H new ATOM 0 HA VAL A 47 6.264 -1.887 5.801 1.00 23.32 H new ATOM 0 HB VAL A 47 7.789 -4.529 5.815 1.00 11.32 H new ATOM 0 HG11 VAL A 47 8.699 -3.770 3.648 1.00 61.12 H new ATOM 0 HG12 VAL A 47 6.931 -3.970 3.590 1.00 61.12 H new ATOM 0 HG13 VAL A 47 7.639 -2.342 3.709 1.00 61.12 H new ATOM 0 HG21 VAL A 47 9.824 -3.127 5.766 1.00 55.11 H new ATOM 0 HG22 VAL A 47 8.817 -1.669 5.928 1.00 55.11 H new ATOM 0 HG23 VAL A 47 8.874 -2.862 7.247 1.00 55.11 H new ATOM 776 N MET A 48 4.288 -3.049 4.811 1.00 54.10 N ATOM 777 CA MET A 48 3.134 -3.696 4.165 1.00 31.44 C ATOM 778 C MET A 48 3.299 -3.720 2.637 1.00 1.02 C ATOM 779 O MET A 48 4.000 -2.880 2.068 1.00 52.25 O ATOM 780 CB MET A 48 1.839 -2.959 4.532 1.00 21.40 C ATOM 781 CG MET A 48 1.524 -2.964 6.026 1.00 54.22 C ATOM 782 SD MET A 48 1.022 -4.583 6.641 1.00 31.30 S ATOM 783 CE MET A 48 -0.521 -4.819 5.761 1.00 5.15 C ATOM 0 H MET A 48 4.316 -2.036 4.697 1.00 54.10 H new ATOM 0 HA MET A 48 3.080 -4.724 4.524 1.00 31.44 H new ATOM 0 HB2 MET A 48 1.911 -1.927 4.190 1.00 21.40 H new ATOM 0 HB3 MET A 48 1.008 -3.416 3.994 1.00 21.40 H new ATOM 0 HG2 MET A 48 2.403 -2.630 6.577 1.00 54.22 H new ATOM 0 HG3 MET A 48 0.730 -2.244 6.226 1.00 54.22 H new ATOM 0 HE1 MET A 48 -1.057 -5.667 6.188 1.00 5.15 H new ATOM 0 HE2 MET A 48 -1.132 -3.921 5.851 1.00 5.15 H new ATOM 0 HE3 MET A 48 -0.314 -5.013 4.709 1.00 5.15 H new ATOM 793 N GLU A 49 2.646 -4.681 1.983 1.00 73.11 N ATOM 794 CA GLU A 49 2.698 -4.805 0.520 1.00 21.23 C ATOM 795 C GLU A 49 1.288 -4.792 -0.091 1.00 21.43 C ATOM 796 O GLU A 49 0.361 -5.412 0.442 1.00 44.02 O ATOM 797 CB GLU A 49 3.434 -6.095 0.123 1.00 61.32 C ATOM 798 CG GLU A 49 3.539 -6.315 -1.383 1.00 45.44 C ATOM 799 CD GLU A 49 4.401 -7.518 -1.750 1.00 30.41 C ATOM 800 OE1 GLU A 49 3.873 -8.648 -1.810 1.00 50.44 O ATOM 801 OE2 GLU A 49 5.614 -7.335 -1.988 1.00 52.15 O ATOM 0 H GLU A 49 2.072 -5.389 2.442 1.00 73.11 H new ATOM 0 HA GLU A 49 3.244 -3.946 0.129 1.00 21.23 H new ATOM 0 HB2 GLU A 49 4.438 -6.073 0.547 1.00 61.32 H new ATOM 0 HB3 GLU A 49 2.919 -6.946 0.568 1.00 61.32 H new ATOM 0 HG2 GLU A 49 2.539 -6.452 -1.795 1.00 45.44 H new ATOM 0 HG3 GLU A 49 3.956 -5.421 -1.847 1.00 45.44 H new ATOM 808 N VAL A 50 1.131 -4.081 -1.207 1.00 20.02 N ATOM 809 CA VAL A 50 -0.150 -4.012 -1.913 1.00 0.04 C ATOM 810 C VAL A 50 0.026 -4.229 -3.422 1.00 10.43 C ATOM 811 O VAL A 50 0.843 -3.569 -4.067 1.00 3.34 O ATOM 812 CB VAL A 50 -0.866 -2.660 -1.663 1.00 43.05 C ATOM 813 CG1 VAL A 50 0.015 -1.479 -2.073 1.00 74.33 C ATOM 814 CG2 VAL A 50 -2.211 -2.615 -2.387 1.00 52.32 C ATOM 0 H VAL A 50 1.878 -3.542 -1.644 1.00 20.02 H new ATOM 0 HA VAL A 50 -0.770 -4.815 -1.514 1.00 0.04 H new ATOM 0 HB VAL A 50 -1.053 -2.576 -0.592 1.00 43.05 H new ATOM 0 HG11 VAL A 50 -0.516 -0.546 -1.885 1.00 74.33 H new ATOM 0 HG12 VAL A 50 0.937 -1.494 -1.493 1.00 74.33 H new ATOM 0 HG13 VAL A 50 0.253 -1.554 -3.134 1.00 74.33 H new ATOM 0 HG21 VAL A 50 -2.695 -1.657 -2.197 1.00 52.32 H new ATOM 0 HG22 VAL A 50 -2.052 -2.735 -3.459 1.00 52.32 H new ATOM 0 HG23 VAL A 50 -2.847 -3.421 -2.023 1.00 52.32 H new ATOM 824 N GLU A 51 -0.738 -5.164 -3.982 1.00 11.32 N ATOM 825 CA GLU A 51 -0.686 -5.439 -5.423 1.00 63.10 C ATOM 826 C GLU A 51 -1.768 -4.656 -6.185 1.00 75.33 C ATOM 827 O GLU A 51 -2.965 -4.882 -5.999 1.00 34.41 O ATOM 828 CB GLU A 51 -0.831 -6.947 -5.703 1.00 45.42 C ATOM 829 CG GLU A 51 -0.870 -7.283 -7.195 1.00 54.14 C ATOM 830 CD GLU A 51 -0.918 -8.776 -7.485 1.00 11.43 C ATOM 831 OE1 GLU A 51 -1.873 -9.448 -7.050 1.00 75.42 O ATOM 832 OE2 GLU A 51 0.000 -9.287 -8.160 1.00 71.22 O ATOM 0 H GLU A 51 -1.399 -5.744 -3.466 1.00 11.32 H new ATOM 0 HA GLU A 51 0.290 -5.108 -5.779 1.00 63.10 H new ATOM 0 HB2 GLU A 51 0.001 -7.477 -5.240 1.00 45.42 H new ATOM 0 HB3 GLU A 51 -1.744 -7.311 -5.231 1.00 45.42 H new ATOM 0 HG2 GLU A 51 -1.742 -6.807 -7.643 1.00 54.14 H new ATOM 0 HG3 GLU A 51 0.009 -6.856 -7.678 1.00 54.14 H new ATOM 839 N VAL A 52 -1.332 -3.727 -7.035 1.00 51.14 N ATOM 840 CA VAL A 52 -2.239 -2.929 -7.870 1.00 50.23 C ATOM 841 C VAL A 52 -1.976 -3.189 -9.363 1.00 13.31 C ATOM 842 O VAL A 52 -0.850 -3.018 -9.836 1.00 71.40 O ATOM 843 CB VAL A 52 -2.071 -1.415 -7.578 1.00 65.33 C ATOM 844 CG1 VAL A 52 -3.074 -0.589 -8.381 1.00 43.35 C ATOM 845 CG2 VAL A 52 -2.203 -1.141 -6.081 1.00 53.33 C ATOM 0 H VAL A 52 -0.345 -3.504 -7.166 1.00 51.14 H new ATOM 0 HA VAL A 52 -3.258 -3.229 -7.627 1.00 50.23 H new ATOM 0 HB VAL A 52 -1.071 -1.114 -7.890 1.00 65.33 H new ATOM 0 HG11 VAL A 52 -2.935 0.469 -8.158 1.00 43.35 H new ATOM 0 HG12 VAL A 52 -2.916 -0.759 -9.446 1.00 43.35 H new ATOM 0 HG13 VAL A 52 -4.088 -0.886 -8.113 1.00 43.35 H new ATOM 0 HG21 VAL A 52 -2.082 -0.074 -5.894 1.00 53.33 H new ATOM 0 HG22 VAL A 52 -3.187 -1.460 -5.738 1.00 53.33 H new ATOM 0 HG23 VAL A 52 -1.434 -1.693 -5.541 1.00 53.33 H new ATOM 855 N ASP A 53 -3.010 -3.614 -10.098 1.00 61.54 N ATOM 856 CA ASP A 53 -2.873 -3.957 -11.525 1.00 72.14 C ATOM 857 C ASP A 53 -1.786 -5.028 -11.752 1.00 54.42 C ATOM 858 O ASP A 53 -1.122 -5.046 -12.790 1.00 51.33 O ATOM 859 CB ASP A 53 -2.565 -2.701 -12.358 1.00 62.10 C ATOM 860 CG ASP A 53 -3.728 -1.723 -12.396 1.00 52.22 C ATOM 861 OD1 ASP A 53 -4.771 -2.058 -12.996 1.00 55.04 O ATOM 862 OD2 ASP A 53 -3.605 -0.612 -11.844 1.00 2.33 O ATOM 0 H ASP A 53 -3.954 -3.730 -9.730 1.00 61.54 H new ATOM 0 HA ASP A 53 -3.825 -4.373 -11.853 1.00 72.14 H new ATOM 0 HB2 ASP A 53 -1.689 -2.202 -11.944 1.00 62.10 H new ATOM 0 HB3 ASP A 53 -2.312 -2.998 -13.376 1.00 62.10 H new ATOM 867 N GLY A 54 -1.623 -5.923 -10.781 1.00 12.44 N ATOM 868 CA GLY A 54 -0.610 -6.972 -10.882 1.00 11.25 C ATOM 869 C GLY A 54 0.795 -6.499 -10.504 1.00 74.35 C ATOM 870 O GLY A 54 1.783 -7.179 -10.783 1.00 42.44 O ATOM 0 H GLY A 54 -2.173 -5.944 -9.922 1.00 12.44 H new ATOM 0 HA2 GLY A 54 -0.892 -7.802 -10.235 1.00 11.25 H new ATOM 0 HA3 GLY A 54 -0.594 -7.354 -11.903 1.00 11.25 H new ATOM 874 N GLN A 55 0.876 -5.335 -9.861 1.00 40.32 N ATOM 875 CA GLN A 55 2.159 -4.747 -9.439 1.00 21.41 C ATOM 876 C GLN A 55 2.236 -4.617 -7.910 1.00 61.45 C ATOM 877 O GLN A 55 1.418 -3.928 -7.307 1.00 41.02 O ATOM 878 CB GLN A 55 2.320 -3.352 -10.061 1.00 72.24 C ATOM 879 CG GLN A 55 2.173 -3.320 -11.578 1.00 13.11 C ATOM 880 CD GLN A 55 2.078 -1.906 -12.126 1.00 45.32 C ATOM 881 OE1 GLN A 55 0.869 -1.388 -12.212 1.00 2.21 O flip ATOM 882 NE2 GLN A 55 3.083 -1.278 -12.454 1.00 35.42 N flip ATOM 0 H GLN A 55 0.062 -4.771 -9.616 1.00 40.32 H new ATOM 0 HA GLN A 55 2.957 -5.408 -9.777 1.00 21.41 H new ATOM 0 HB2 GLN A 55 1.579 -2.684 -9.622 1.00 72.24 H new ATOM 0 HB3 GLN A 55 3.301 -2.959 -9.795 1.00 72.24 H new ATOM 0 HG2 GLN A 55 3.025 -3.825 -12.033 1.00 13.11 H new ATOM 0 HG3 GLN A 55 1.281 -3.878 -11.865 1.00 13.11 H new ATOM 0 HE21 GLN A 55 4.003 -1.710 -12.374 1.00 35.42 H new ATOM 0 HE22 GLN A 55 2.996 -0.325 -12.806 1.00 35.42 H new ATOM 891 N LYS A 56 3.214 -5.272 -7.284 1.00 74.25 N ATOM 892 CA LYS A 56 3.410 -5.151 -5.830 1.00 1.21 C ATOM 893 C LYS A 56 4.167 -3.861 -5.451 1.00 50.34 C ATOM 894 O LYS A 56 5.238 -3.570 -5.989 1.00 14.21 O ATOM 895 CB LYS A 56 4.166 -6.368 -5.263 1.00 64.32 C ATOM 896 CG LYS A 56 3.293 -7.594 -4.980 1.00 11.14 C ATOM 897 CD LYS A 56 2.996 -8.424 -6.224 1.00 0.31 C ATOM 898 CE LYS A 56 2.339 -9.752 -5.853 1.00 51.11 C ATOM 899 NZ LYS A 56 2.138 -10.636 -7.030 1.00 31.44 N ATOM 0 H LYS A 56 3.880 -5.888 -7.751 1.00 74.25 H new ATOM 0 HA LYS A 56 2.413 -5.109 -5.390 1.00 1.21 H new ATOM 0 HB2 LYS A 56 4.948 -6.652 -5.967 1.00 64.32 H new ATOM 0 HB3 LYS A 56 4.661 -6.071 -4.338 1.00 64.32 H new ATOM 0 HG2 LYS A 56 3.791 -8.223 -4.242 1.00 11.14 H new ATOM 0 HG3 LYS A 56 2.352 -7.267 -4.537 1.00 11.14 H new ATOM 0 HD2 LYS A 56 2.341 -7.864 -6.891 1.00 0.31 H new ATOM 0 HD3 LYS A 56 3.921 -8.612 -6.769 1.00 0.31 H new ATOM 0 HE2 LYS A 56 2.957 -10.267 -5.118 1.00 51.11 H new ATOM 0 HE3 LYS A 56 1.376 -9.558 -5.380 1.00 51.11 H new ATOM 0 HZ1 LYS A 56 2.084 -11.626 -6.716 1.00 31.44 H new ATOM 0 HZ2 LYS A 56 1.253 -10.377 -7.512 1.00 31.44 H new ATOM 0 HZ3 LYS A 56 2.936 -10.525 -7.688 1.00 31.44 H new ATOM 913 N PHE A 57 3.591 -3.093 -4.527 1.00 34.34 N ATOM 914 CA PHE A 57 4.241 -1.897 -3.964 1.00 22.22 C ATOM 915 C PHE A 57 4.365 -2.028 -2.436 1.00 11.14 C ATOM 916 O PHE A 57 3.451 -2.528 -1.779 1.00 54.23 O ATOM 917 CB PHE A 57 3.436 -0.632 -4.305 1.00 4.15 C ATOM 918 CG PHE A 57 3.331 -0.340 -5.784 1.00 53.14 C ATOM 919 CD1 PHE A 57 4.293 0.434 -6.421 1.00 3.14 C ATOM 920 CD2 PHE A 57 2.266 -0.825 -6.533 1.00 62.40 C ATOM 921 CE1 PHE A 57 4.195 0.714 -7.771 1.00 24.05 C ATOM 922 CE2 PHE A 57 2.164 -0.544 -7.883 1.00 13.34 C ATOM 923 CZ PHE A 57 3.130 0.226 -8.502 1.00 51.51 C ATOM 0 H PHE A 57 2.663 -3.277 -4.145 1.00 34.34 H new ATOM 0 HA PHE A 57 5.236 -1.813 -4.402 1.00 22.22 H new ATOM 0 HB2 PHE A 57 2.431 -0.734 -3.895 1.00 4.15 H new ATOM 0 HB3 PHE A 57 3.898 0.222 -3.810 1.00 4.15 H new ATOM 0 HD1 PHE A 57 5.127 0.821 -5.855 1.00 3.14 H new ATOM 0 HD2 PHE A 57 1.509 -1.429 -6.055 1.00 62.40 H new ATOM 0 HE1 PHE A 57 4.952 1.315 -8.254 1.00 24.05 H new ATOM 0 HE2 PHE A 57 1.330 -0.926 -8.453 1.00 13.34 H new ATOM 0 HZ PHE A 57 3.052 0.446 -9.556 1.00 51.51 H new ATOM 933 N GLN A 58 5.488 -1.578 -1.871 1.00 12.14 N ATOM 934 CA GLN A 58 5.721 -1.678 -0.416 1.00 10.31 C ATOM 935 C GLN A 58 5.955 -0.311 0.244 1.00 53.04 C ATOM 936 O GLN A 58 6.475 0.623 -0.373 1.00 24.23 O ATOM 937 CB GLN A 58 6.912 -2.604 -0.116 1.00 30.11 C ATOM 938 CG GLN A 58 6.581 -4.089 -0.231 1.00 33.15 C ATOM 939 CD GLN A 58 7.763 -4.994 0.075 1.00 45.12 C ATOM 940 OE1 GLN A 58 8.672 -4.638 0.821 1.00 11.33 O ATOM 941 NE2 GLN A 58 7.745 -6.185 -0.477 1.00 72.45 N ATOM 0 H GLN A 58 6.250 -1.142 -2.390 1.00 12.14 H new ATOM 0 HA GLN A 58 4.811 -2.099 0.011 1.00 10.31 H new ATOM 0 HB2 GLN A 58 7.725 -2.368 -0.802 1.00 30.11 H new ATOM 0 HB3 GLN A 58 7.275 -2.399 0.891 1.00 30.11 H new ATOM 0 HG2 GLN A 58 5.765 -4.326 0.451 1.00 33.15 H new ATOM 0 HG3 GLN A 58 6.224 -4.298 -1.240 1.00 33.15 H new ATOM 0 HE21 GLN A 58 6.976 -6.450 -1.092 1.00 72.45 H new ATOM 0 HE22 GLN A 58 8.500 -6.845 -0.291 1.00 72.45 H new ATOM 950 N GLY A 59 5.569 -0.217 1.515 1.00 25.12 N ATOM 951 CA GLY A 59 5.774 0.998 2.298 1.00 14.42 C ATOM 952 C GLY A 59 5.977 0.705 3.783 1.00 42.10 C ATOM 953 O GLY A 59 5.420 -0.261 4.313 1.00 34.13 O ATOM 0 H GLY A 59 5.111 -0.972 2.026 1.00 25.12 H new ATOM 0 HA2 GLY A 59 6.643 1.533 1.914 1.00 14.42 H new ATOM 0 HA3 GLY A 59 4.914 1.656 2.174 1.00 14.42 H new ATOM 957 N ALA A 60 6.772 1.535 4.457 1.00 43.41 N ATOM 958 CA ALA A 60 7.106 1.312 5.871 1.00 62.14 C ATOM 959 C ALA A 60 6.583 2.442 6.781 1.00 21.32 C ATOM 960 O ALA A 60 6.829 3.622 6.527 1.00 14.50 O ATOM 961 CB ALA A 60 8.615 1.158 6.029 1.00 2.31 C ATOM 0 H ALA A 60 7.198 2.368 4.051 1.00 43.41 H new ATOM 0 HA ALA A 60 6.610 0.394 6.185 1.00 62.14 H new ATOM 0 HB1 ALA A 60 8.856 0.993 7.079 1.00 2.31 H new ATOM 0 HB2 ALA A 60 8.958 0.307 5.440 1.00 2.31 H new ATOM 0 HB3 ALA A 60 9.112 2.064 5.681 1.00 2.31 H new ATOM 967 N GLY A 61 5.881 2.067 7.852 1.00 0.14 N ATOM 968 CA GLY A 61 5.340 3.052 8.791 1.00 20.25 C ATOM 969 C GLY A 61 5.353 2.564 10.237 1.00 52.24 C ATOM 970 O GLY A 61 5.744 1.429 10.510 1.00 4.04 O ATOM 0 H GLY A 61 5.675 1.097 8.090 1.00 0.14 H new ATOM 0 HA2 GLY A 61 5.920 3.972 8.718 1.00 20.25 H new ATOM 0 HA3 GLY A 61 4.317 3.296 8.504 1.00 20.25 H new ATOM 974 N SER A 62 4.919 3.421 11.161 1.00 70.02 N ATOM 975 CA SER A 62 4.904 3.092 12.601 1.00 35.04 C ATOM 976 C SER A 62 4.055 1.852 12.916 1.00 32.21 C ATOM 977 O SER A 62 4.340 1.118 13.862 1.00 61.52 O ATOM 978 CB SER A 62 4.379 4.277 13.423 1.00 60.43 C ATOM 979 OG SER A 62 3.016 4.550 13.129 1.00 52.10 O ATOM 0 H SER A 62 4.570 4.355 10.944 1.00 70.02 H new ATOM 0 HA SER A 62 5.936 2.874 12.874 1.00 35.04 H new ATOM 0 HB2 SER A 62 4.487 4.060 14.486 1.00 60.43 H new ATOM 0 HB3 SER A 62 4.982 5.161 13.215 1.00 60.43 H new ATOM 0 HG SER A 62 2.710 5.308 13.669 1.00 52.10 H new ATOM 985 N ASN A 63 3.001 1.637 12.137 1.00 44.41 N ATOM 986 CA ASN A 63 2.123 0.471 12.315 1.00 1.42 C ATOM 987 C ASN A 63 1.521 0.037 10.971 1.00 64.43 C ATOM 988 O ASN A 63 1.742 0.691 9.954 1.00 1.34 O ATOM 989 CB ASN A 63 1.006 0.789 13.319 1.00 1.42 C ATOM 990 CG ASN A 63 0.135 1.946 12.872 1.00 55.24 C ATOM 991 OD1 ASN A 63 -0.856 1.760 12.179 1.00 15.33 O ATOM 992 ND2 ASN A 63 0.508 3.151 13.249 1.00 3.24 N ATOM 0 H ASN A 63 2.727 2.253 11.372 1.00 44.41 H new ATOM 0 HA ASN A 63 2.722 -0.351 12.707 1.00 1.42 H new ATOM 0 HB2 ASN A 63 0.385 -0.096 13.459 1.00 1.42 H new ATOM 0 HB3 ASN A 63 1.448 1.024 14.287 1.00 1.42 H new ATOM 0 HD21 ASN A 63 -0.035 3.966 12.963 1.00 3.24 H new ATOM 0 HD22 ASN A 63 1.340 3.270 13.827 1.00 3.24 H new ATOM 999 N LYS A 64 0.758 -1.064 10.973 1.00 41.31 N ATOM 1000 CA LYS A 64 0.127 -1.576 9.741 1.00 41.55 C ATOM 1001 C LYS A 64 -0.623 -0.476 8.968 1.00 10.34 C ATOM 1002 O LYS A 64 -0.441 -0.331 7.763 1.00 73.22 O ATOM 1003 CB LYS A 64 -0.843 -2.733 10.049 1.00 51.55 C ATOM 1004 CG LYS A 64 -0.164 -4.081 10.314 1.00 73.42 C ATOM 1005 CD LYS A 64 -1.178 -5.227 10.267 1.00 51.03 C ATOM 1006 CE LYS A 64 -0.517 -6.602 10.325 1.00 53.20 C ATOM 1007 NZ LYS A 64 0.047 -6.909 11.666 1.00 70.42 N ATOM 0 H LYS A 64 0.561 -1.617 11.807 1.00 41.31 H new ATOM 0 HA LYS A 64 0.939 -1.942 9.113 1.00 41.55 H new ATOM 0 HB2 LYS A 64 -1.442 -2.465 10.919 1.00 51.55 H new ATOM 0 HB3 LYS A 64 -1.531 -2.846 9.211 1.00 51.55 H new ATOM 0 HG2 LYS A 64 0.616 -4.251 9.572 1.00 73.42 H new ATOM 0 HG3 LYS A 64 0.322 -4.061 11.289 1.00 73.42 H new ATOM 0 HD2 LYS A 64 -1.872 -5.127 11.101 1.00 51.03 H new ATOM 0 HD3 LYS A 64 -1.766 -5.149 9.352 1.00 51.03 H new ATOM 0 HE2 LYS A 64 -1.249 -7.365 10.060 1.00 53.20 H new ATOM 0 HE3 LYS A 64 0.278 -6.651 9.581 1.00 53.20 H new ATOM 0 HZ1 LYS A 64 0.377 -7.895 11.686 1.00 70.42 H new ATOM 0 HZ2 LYS A 64 0.846 -6.272 11.861 1.00 70.42 H new ATOM 0 HZ3 LYS A 64 -0.687 -6.775 12.390 1.00 70.42 H new ATOM 1021 N LYS A 65 -1.456 0.292 9.666 1.00 75.52 N ATOM 1022 CA LYS A 65 -2.257 1.351 9.030 1.00 62.24 C ATOM 1023 C LYS A 65 -1.365 2.376 8.304 1.00 52.11 C ATOM 1024 O LYS A 65 -1.564 2.676 7.123 1.00 13.22 O ATOM 1025 CB LYS A 65 -3.117 2.064 10.085 1.00 20.04 C ATOM 1026 CG LYS A 65 -4.065 1.134 10.838 1.00 52.41 C ATOM 1027 CD LYS A 65 -4.801 1.849 11.975 1.00 34.54 C ATOM 1028 CE LYS A 65 -3.844 2.344 13.057 1.00 21.14 C ATOM 1029 NZ LYS A 65 -4.566 2.937 14.216 1.00 53.31 N ATOM 0 H LYS A 65 -1.598 0.206 10.672 1.00 75.52 H new ATOM 0 HA LYS A 65 -2.903 0.881 8.288 1.00 62.24 H new ATOM 0 HB2 LYS A 65 -2.461 2.557 10.802 1.00 20.04 H new ATOM 0 HB3 LYS A 65 -3.700 2.845 9.597 1.00 20.04 H new ATOM 0 HG2 LYS A 65 -4.793 0.720 10.141 1.00 52.41 H new ATOM 0 HG3 LYS A 65 -3.500 0.295 11.245 1.00 52.41 H new ATOM 0 HD2 LYS A 65 -5.358 2.694 11.571 1.00 34.54 H new ATOM 0 HD3 LYS A 65 -5.529 1.170 12.419 1.00 34.54 H new ATOM 0 HE2 LYS A 65 -3.227 1.514 13.401 1.00 21.14 H new ATOM 0 HE3 LYS A 65 -3.170 3.088 12.632 1.00 21.14 H new ATOM 0 HZ1 LYS A 65 -3.878 3.260 14.926 1.00 53.31 H new ATOM 0 HZ2 LYS A 65 -5.135 3.745 13.894 1.00 53.31 H new ATOM 0 HZ3 LYS A 65 -5.190 2.221 14.639 1.00 53.31 H new ATOM 1043 N VAL A 66 -0.373 2.896 9.019 1.00 0.41 N ATOM 1044 CA VAL A 66 0.551 3.886 8.456 1.00 34.30 C ATOM 1045 C VAL A 66 1.405 3.282 7.322 1.00 11.33 C ATOM 1046 O VAL A 66 1.676 3.935 6.312 1.00 74.35 O ATOM 1047 CB VAL A 66 1.479 4.465 9.554 1.00 72.30 C ATOM 1048 CG1 VAL A 66 2.408 5.532 8.982 1.00 34.13 C ATOM 1049 CG2 VAL A 66 0.657 5.035 10.708 1.00 2.40 C ATOM 0 H VAL A 66 -0.184 2.651 9.991 1.00 0.41 H new ATOM 0 HA VAL A 66 -0.056 4.691 8.041 1.00 34.30 H new ATOM 0 HB VAL A 66 2.095 3.651 9.936 1.00 72.30 H new ATOM 0 HG11 VAL A 66 3.047 5.921 9.775 1.00 34.13 H new ATOM 0 HG12 VAL A 66 3.027 5.094 8.199 1.00 34.13 H new ATOM 0 HG13 VAL A 66 1.814 6.345 8.564 1.00 34.13 H new ATOM 0 HG21 VAL A 66 1.327 5.437 11.468 1.00 2.40 H new ATOM 0 HG22 VAL A 66 0.011 5.831 10.337 1.00 2.40 H new ATOM 0 HG23 VAL A 66 0.045 4.245 11.144 1.00 2.40 H new ATOM 1059 N ALA A 67 1.814 2.026 7.490 1.00 65.04 N ATOM 1060 CA ALA A 67 2.598 1.322 6.469 1.00 21.54 C ATOM 1061 C ALA A 67 1.781 1.115 5.184 1.00 31.31 C ATOM 1062 O ALA A 67 2.283 1.310 4.074 1.00 61.13 O ATOM 1063 CB ALA A 67 3.093 -0.014 7.009 1.00 41.53 C ATOM 0 H ALA A 67 1.617 1.472 8.323 1.00 65.04 H new ATOM 0 HA ALA A 67 3.460 1.941 6.220 1.00 21.54 H new ATOM 0 HB1 ALA A 67 3.673 -0.525 6.240 1.00 41.53 H new ATOM 0 HB2 ALA A 67 3.721 0.157 7.884 1.00 41.53 H new ATOM 0 HB3 ALA A 67 2.240 -0.631 7.290 1.00 41.53 H new ATOM 1069 N LYS A 68 0.513 0.727 5.346 1.00 71.44 N ATOM 1070 CA LYS A 68 -0.418 0.608 4.216 1.00 64.14 C ATOM 1071 C LYS A 68 -0.552 1.951 3.482 1.00 43.22 C ATOM 1072 O LYS A 68 -0.688 1.994 2.261 1.00 1.22 O ATOM 1073 CB LYS A 68 -1.799 0.144 4.705 1.00 13.50 C ATOM 1074 CG LYS A 68 -1.838 -1.291 5.229 1.00 51.42 C ATOM 1075 CD LYS A 68 -3.185 -1.623 5.876 1.00 2.41 C ATOM 1076 CE LYS A 68 -4.346 -1.470 4.897 1.00 65.44 C ATOM 1077 NZ LYS A 68 -5.655 -1.776 5.529 1.00 60.42 N ATOM 0 H LYS A 68 0.105 0.489 6.250 1.00 71.44 H new ATOM 0 HA LYS A 68 -0.018 -0.133 3.524 1.00 64.14 H new ATOM 0 HB2 LYS A 68 -2.134 0.815 5.496 1.00 13.50 H new ATOM 0 HB3 LYS A 68 -2.511 0.237 3.885 1.00 13.50 H new ATOM 0 HG2 LYS A 68 -1.648 -1.983 4.408 1.00 51.42 H new ATOM 0 HG3 LYS A 68 -1.040 -1.434 5.957 1.00 51.42 H new ATOM 0 HD2 LYS A 68 -3.163 -2.645 6.254 1.00 2.41 H new ATOM 0 HD3 LYS A 68 -3.346 -0.969 6.733 1.00 2.41 H new ATOM 0 HE2 LYS A 68 -4.361 -0.451 4.509 1.00 65.44 H new ATOM 0 HE3 LYS A 68 -4.191 -2.133 4.046 1.00 65.44 H new ATOM 0 HZ1 LYS A 68 -6.415 -1.659 4.828 1.00 60.42 H new ATOM 0 HZ2 LYS A 68 -5.652 -2.756 5.876 1.00 60.42 H new ATOM 0 HZ3 LYS A 68 -5.816 -1.127 6.325 1.00 60.42 H new ATOM 1091 N ALA A 69 -0.514 3.042 4.245 1.00 73.24 N ATOM 1092 CA ALA A 69 -0.573 4.393 3.676 1.00 4.25 C ATOM 1093 C ALA A 69 0.618 4.671 2.742 1.00 52.14 C ATOM 1094 O ALA A 69 0.440 5.164 1.629 1.00 24.54 O ATOM 1095 CB ALA A 69 -0.631 5.432 4.792 1.00 3.43 C ATOM 0 H ALA A 69 -0.442 3.019 5.262 1.00 73.24 H new ATOM 0 HA ALA A 69 -1.481 4.462 3.077 1.00 4.25 H new ATOM 0 HB1 ALA A 69 -0.674 6.431 4.357 1.00 3.43 H new ATOM 0 HB2 ALA A 69 -1.519 5.262 5.401 1.00 3.43 H new ATOM 0 HB3 ALA A 69 0.259 5.346 5.416 1.00 3.43 H new ATOM 1101 N TYR A 70 1.831 4.345 3.196 1.00 43.15 N ATOM 1102 CA TYR A 70 3.036 4.521 2.370 1.00 55.22 C ATOM 1103 C TYR A 70 3.026 3.582 1.151 1.00 73.21 C ATOM 1104 O TYR A 70 3.350 3.994 0.034 1.00 24.40 O ATOM 1105 CB TYR A 70 4.306 4.288 3.202 1.00 31.25 C ATOM 1106 CG TYR A 70 4.603 5.403 4.189 1.00 22.42 C ATOM 1107 CD1 TYR A 70 5.069 6.637 3.744 1.00 13.35 C ATOM 1108 CD2 TYR A 70 4.419 5.226 5.556 1.00 5.14 C ATOM 1109 CE1 TYR A 70 5.341 7.658 4.633 1.00 24.13 C ATOM 1110 CE2 TYR A 70 4.690 6.246 6.449 1.00 31.31 C ATOM 1111 CZ TYR A 70 5.151 7.458 5.983 1.00 10.33 C ATOM 1112 OH TYR A 70 5.412 8.478 6.871 1.00 22.02 O ATOM 0 H TYR A 70 2.008 3.960 4.124 1.00 43.15 H new ATOM 0 HA TYR A 70 3.034 5.549 2.008 1.00 55.22 H new ATOM 0 HB2 TYR A 70 4.205 3.350 3.747 1.00 31.25 H new ATOM 0 HB3 TYR A 70 5.155 4.176 2.528 1.00 31.25 H new ATOM 0 HD1 TYR A 70 5.220 6.798 2.687 1.00 13.35 H new ATOM 0 HD2 TYR A 70 4.059 4.277 5.926 1.00 5.14 H new ATOM 0 HE1 TYR A 70 5.701 8.610 4.272 1.00 24.13 H new ATOM 0 HE2 TYR A 70 4.541 6.093 7.508 1.00 31.31 H new ATOM 0 HH TYR A 70 5.225 8.173 7.783 1.00 22.02 H new ATOM 1122 N ALA A 71 2.654 2.322 1.375 1.00 1.43 N ATOM 1123 CA ALA A 71 2.537 1.343 0.286 1.00 71.54 C ATOM 1124 C ALA A 71 1.539 1.817 -0.782 1.00 71.25 C ATOM 1125 O ALA A 71 1.790 1.705 -1.984 1.00 1.55 O ATOM 1126 CB ALA A 71 2.121 -0.017 0.840 1.00 24.25 C ATOM 0 H ALA A 71 2.428 1.952 2.298 1.00 1.43 H new ATOM 0 HA ALA A 71 3.514 1.246 -0.188 1.00 71.54 H new ATOM 0 HB1 ALA A 71 2.038 -0.733 0.022 1.00 24.25 H new ATOM 0 HB2 ALA A 71 2.870 -0.364 1.552 1.00 24.25 H new ATOM 0 HB3 ALA A 71 1.158 0.074 1.342 1.00 24.25 H new ATOM 1132 N ALA A 72 0.414 2.361 -0.328 1.00 43.52 N ATOM 1133 CA ALA A 72 -0.595 2.923 -1.226 1.00 13.10 C ATOM 1134 C ALA A 72 -0.061 4.157 -1.970 1.00 62.52 C ATOM 1135 O ALA A 72 -0.300 4.325 -3.165 1.00 33.03 O ATOM 1136 CB ALA A 72 -1.853 3.274 -0.442 1.00 65.20 C ATOM 0 H ALA A 72 0.175 2.426 0.662 1.00 43.52 H new ATOM 0 HA ALA A 72 -0.840 2.169 -1.974 1.00 13.10 H new ATOM 0 HB1 ALA A 72 -2.599 3.692 -1.119 1.00 65.20 H new ATOM 0 HB2 ALA A 72 -2.252 2.375 0.027 1.00 65.20 H new ATOM 0 HB3 ALA A 72 -1.610 4.007 0.327 1.00 65.20 H new ATOM 1142 N LEU A 73 0.669 5.017 -1.253 1.00 5.51 N ATOM 1143 CA LEU A 73 1.306 6.194 -1.863 1.00 32.55 C ATOM 1144 C LEU A 73 2.255 5.795 -3.002 1.00 73.25 C ATOM 1145 O LEU A 73 2.283 6.441 -4.049 1.00 4.24 O ATOM 1146 CB LEU A 73 2.068 7.005 -0.801 1.00 2.24 C ATOM 1147 CG LEU A 73 1.208 7.940 0.057 1.00 43.35 C ATOM 1148 CD1 LEU A 73 2.045 8.580 1.158 1.00 5.01 C ATOM 1149 CD2 LEU A 73 0.554 9.013 -0.813 1.00 12.44 C ATOM 0 H LEU A 73 0.835 4.923 -0.251 1.00 5.51 H new ATOM 0 HA LEU A 73 0.515 6.814 -2.285 1.00 32.55 H new ATOM 0 HB2 LEU A 73 2.587 6.310 -0.141 1.00 2.24 H new ATOM 0 HB3 LEU A 73 2.832 7.600 -1.302 1.00 2.24 H new ATOM 0 HG LEU A 73 0.421 7.349 0.526 1.00 43.35 H new ATOM 0 HD11 LEU A 73 1.416 9.240 1.756 1.00 5.01 H new ATOM 0 HD12 LEU A 73 2.464 7.802 1.796 1.00 5.01 H new ATOM 0 HD13 LEU A 73 2.855 9.157 0.711 1.00 5.01 H new ATOM 0 HD21 LEU A 73 -0.053 9.668 -0.188 1.00 12.44 H new ATOM 0 HD22 LEU A 73 1.327 9.599 -1.310 1.00 12.44 H new ATOM 0 HD23 LEU A 73 -0.079 8.538 -1.562 1.00 12.44 H new ATOM 1161 N ALA A 74 3.025 4.729 -2.790 1.00 35.33 N ATOM 1162 CA ALA A 74 3.927 4.210 -3.822 1.00 60.10 C ATOM 1163 C ALA A 74 3.156 3.832 -5.098 1.00 31.01 C ATOM 1164 O ALA A 74 3.615 4.076 -6.212 1.00 21.43 O ATOM 1165 CB ALA A 74 4.699 3.007 -3.288 1.00 10.01 C ATOM 0 H ALA A 74 3.044 4.207 -1.914 1.00 35.33 H new ATOM 0 HA ALA A 74 4.634 4.998 -4.082 1.00 60.10 H new ATOM 0 HB1 ALA A 74 5.366 2.630 -4.063 1.00 10.01 H new ATOM 0 HB2 ALA A 74 5.285 3.307 -2.419 1.00 10.01 H new ATOM 0 HB3 ALA A 74 3.998 2.224 -3.000 1.00 10.01 H new ATOM 1171 N ALA A 75 1.974 3.245 -4.922 1.00 61.10 N ATOM 1172 CA ALA A 75 1.117 2.879 -6.053 1.00 3.34 C ATOM 1173 C ALA A 75 0.452 4.113 -6.683 1.00 54.53 C ATOM 1174 O ALA A 75 0.353 4.224 -7.904 1.00 52.33 O ATOM 1175 CB ALA A 75 0.058 1.876 -5.606 1.00 63.53 C ATOM 0 H ALA A 75 1.586 3.012 -4.008 1.00 61.10 H new ATOM 0 HA ALA A 75 1.747 2.419 -6.814 1.00 3.34 H new ATOM 0 HB1 ALA A 75 -0.573 1.611 -6.454 1.00 63.53 H new ATOM 0 HB2 ALA A 75 0.545 0.980 -5.222 1.00 63.53 H new ATOM 0 HB3 ALA A 75 -0.555 2.320 -4.822 1.00 63.53 H new ATOM 1181 N LEU A 76 0.003 5.044 -5.844 1.00 70.45 N ATOM 1182 CA LEU A 76 -0.677 6.253 -6.318 1.00 4.42 C ATOM 1183 C LEU A 76 0.277 7.189 -7.084 1.00 54.14 C ATOM 1184 O LEU A 76 0.065 7.461 -8.261 1.00 32.22 O ATOM 1185 CB LEU A 76 -1.321 6.990 -5.135 1.00 13.21 C ATOM 1186 CG LEU A 76 -2.500 6.257 -4.472 1.00 21.32 C ATOM 1187 CD1 LEU A 76 -2.983 7.015 -3.242 1.00 41.11 C ATOM 1188 CD2 LEU A 76 -3.645 6.060 -5.467 1.00 64.33 C ATOM 0 H LEU A 76 0.097 4.986 -4.830 1.00 70.45 H new ATOM 0 HA LEU A 76 -1.455 5.945 -7.017 1.00 4.42 H new ATOM 0 HB2 LEU A 76 -0.556 7.172 -4.380 1.00 13.21 H new ATOM 0 HB3 LEU A 76 -1.667 7.965 -5.479 1.00 13.21 H new ATOM 0 HG LEU A 76 -2.152 5.274 -4.153 1.00 21.32 H new ATOM 0 HD11 LEU A 76 -3.817 6.479 -2.789 1.00 41.11 H new ATOM 0 HD12 LEU A 76 -2.169 7.096 -2.522 1.00 41.11 H new ATOM 0 HD13 LEU A 76 -3.309 8.013 -3.534 1.00 41.11 H new ATOM 0 HD21 LEU A 76 -4.468 5.540 -4.977 1.00 64.33 H new ATOM 0 HD22 LEU A 76 -3.990 7.031 -5.822 1.00 64.33 H new ATOM 0 HD23 LEU A 76 -3.294 5.468 -6.313 1.00 64.33 H new ATOM 1200 N GLU A 77 1.349 7.642 -6.433 1.00 4.01 N ATOM 1201 CA GLU A 77 2.315 8.565 -7.061 1.00 33.15 C ATOM 1202 C GLU A 77 2.919 7.986 -8.358 1.00 72.52 C ATOM 1203 O GLU A 77 3.478 8.719 -9.184 1.00 31.43 O ATOM 1204 CB GLU A 77 3.435 8.910 -6.069 1.00 14.51 C ATOM 1205 CG GLU A 77 2.947 9.622 -4.806 1.00 60.15 C ATOM 1206 CD GLU A 77 2.412 11.024 -5.077 1.00 65.43 C ATOM 1207 OE1 GLU A 77 1.202 11.170 -5.359 1.00 54.22 O ATOM 1208 OE2 GLU A 77 3.200 11.994 -4.986 1.00 71.14 O ATOM 0 H GLU A 77 1.576 7.389 -5.471 1.00 4.01 H new ATOM 0 HA GLU A 77 1.771 9.470 -7.331 1.00 33.15 H new ATOM 0 HB2 GLU A 77 3.948 7.992 -5.782 1.00 14.51 H new ATOM 0 HB3 GLU A 77 4.169 9.542 -6.570 1.00 14.51 H new ATOM 0 HG2 GLU A 77 2.164 9.025 -4.339 1.00 60.15 H new ATOM 0 HG3 GLU A 77 3.768 9.685 -4.092 1.00 60.15 H new ATOM 1215 N LYS A 78 2.811 6.670 -8.528 1.00 20.42 N ATOM 1216 CA LYS A 78 3.304 5.999 -9.735 1.00 74.55 C ATOM 1217 C LYS A 78 2.178 5.839 -10.780 1.00 42.12 C ATOM 1218 O LYS A 78 2.361 6.151 -11.959 1.00 33.32 O ATOM 1219 CB LYS A 78 3.905 4.628 -9.354 1.00 70.14 C ATOM 1220 CG LYS A 78 4.848 4.018 -10.400 1.00 70.22 C ATOM 1221 CD LYS A 78 4.107 3.443 -11.605 1.00 71.22 C ATOM 1222 CE LYS A 78 5.068 2.934 -12.673 1.00 0.40 C ATOM 1223 NZ LYS A 78 5.939 4.018 -13.196 1.00 32.52 N ATOM 0 H LYS A 78 2.386 6.043 -7.845 1.00 20.42 H new ATOM 0 HA LYS A 78 4.082 6.613 -10.188 1.00 74.55 H new ATOM 0 HB2 LYS A 78 4.449 4.735 -8.416 1.00 70.14 H new ATOM 0 HB3 LYS A 78 3.089 3.929 -9.171 1.00 70.14 H new ATOM 0 HG2 LYS A 78 5.547 4.782 -10.740 1.00 70.22 H new ATOM 0 HG3 LYS A 78 5.439 3.230 -9.933 1.00 70.22 H new ATOM 0 HD2 LYS A 78 3.461 2.627 -11.279 1.00 71.22 H new ATOM 0 HD3 LYS A 78 3.461 4.209 -12.033 1.00 71.22 H new ATOM 0 HE2 LYS A 78 5.687 2.140 -12.256 1.00 0.40 H new ATOM 0 HE3 LYS A 78 4.500 2.497 -13.494 1.00 0.40 H new ATOM 0 HZ1 LYS A 78 6.378 3.711 -14.088 1.00 32.52 H new ATOM 0 HZ2 LYS A 78 5.368 4.870 -13.367 1.00 32.52 H new ATOM 0 HZ3 LYS A 78 6.682 4.232 -12.500 1.00 32.52 H new ATOM 1237 N LEU A 79 1.013 5.359 -10.341 1.00 65.31 N ATOM 1238 CA LEU A 79 -0.104 5.058 -11.254 1.00 31.54 C ATOM 1239 C LEU A 79 -1.174 6.170 -11.273 1.00 24.24 C ATOM 1240 O LEU A 79 -1.621 6.594 -12.340 1.00 55.52 O ATOM 1241 CB LEU A 79 -0.759 3.724 -10.859 1.00 14.04 C ATOM 1242 CG LEU A 79 0.175 2.501 -10.845 1.00 14.02 C ATOM 1243 CD1 LEU A 79 -0.574 1.251 -10.389 1.00 53.30 C ATOM 1244 CD2 LEU A 79 0.806 2.284 -12.219 1.00 31.11 C ATOM 0 H LEU A 79 0.813 5.168 -9.359 1.00 65.31 H new ATOM 0 HA LEU A 79 0.316 4.991 -12.258 1.00 31.54 H new ATOM 0 HB2 LEU A 79 -1.197 3.835 -9.867 1.00 14.04 H new ATOM 0 HB3 LEU A 79 -1.579 3.524 -11.549 1.00 14.04 H new ATOM 0 HG LEU A 79 0.976 2.695 -10.131 1.00 14.02 H new ATOM 0 HD11 LEU A 79 0.106 0.400 -10.387 1.00 53.30 H new ATOM 0 HD12 LEU A 79 -0.963 1.407 -9.383 1.00 53.30 H new ATOM 0 HD13 LEU A 79 -1.401 1.053 -11.071 1.00 53.30 H new ATOM 0 HD21 LEU A 79 1.462 1.414 -12.185 1.00 31.11 H new ATOM 0 HD22 LEU A 79 0.022 2.118 -12.957 1.00 31.11 H new ATOM 0 HD23 LEU A 79 1.385 3.165 -12.497 1.00 31.11 H new ATOM 1256 N PHE A 80 -1.586 6.640 -10.093 1.00 0.41 N ATOM 1257 CA PHE A 80 -2.680 7.627 -9.986 1.00 20.53 C ATOM 1258 C PHE A 80 -2.260 8.879 -9.182 1.00 24.14 C ATOM 1259 O PHE A 80 -2.804 9.138 -8.105 1.00 21.21 O ATOM 1260 CB PHE A 80 -3.904 6.985 -9.312 1.00 61.15 C ATOM 1261 CG PHE A 80 -4.185 5.569 -9.755 1.00 54.34 C ATOM 1262 CD1 PHE A 80 -4.794 5.308 -10.975 1.00 53.05 C ATOM 1263 CD2 PHE A 80 -3.837 4.496 -8.943 1.00 0.00 C ATOM 1264 CE1 PHE A 80 -5.050 4.009 -11.375 1.00 43.50 C ATOM 1265 CE2 PHE A 80 -4.093 3.198 -9.338 1.00 74.23 C ATOM 1266 CZ PHE A 80 -4.699 2.954 -10.556 1.00 32.40 C ATOM 0 H PHE A 80 -1.185 6.359 -9.198 1.00 0.41 H new ATOM 0 HA PHE A 80 -2.927 7.943 -11.000 1.00 20.53 H new ATOM 0 HB2 PHE A 80 -3.756 6.993 -8.232 1.00 61.15 H new ATOM 0 HB3 PHE A 80 -4.781 7.599 -9.518 1.00 61.15 H new ATOM 0 HD1 PHE A 80 -5.071 6.129 -11.619 1.00 53.05 H new ATOM 0 HD2 PHE A 80 -3.360 4.680 -7.991 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.524 3.820 -12.327 1.00 43.50 H new ATOM 0 HE2 PHE A 80 -3.820 2.374 -8.696 1.00 74.23 H new ATOM 0 HZ PHE A 80 -4.898 1.939 -10.867 1.00 32.40 H new