USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=9 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 55 GLN : amide:sc= -1.47! K(o=-0.37!,f=-5.3) USER MOD Set 1.2: A 78 LYS NZ :NH3+ 162:sc= 1.1 (180deg=0) USER MOD Set 2.1: A 18 ASN : amide:sc= -1.07 X(o=-1.2,f=-0.7) USER MOD Set 2.2: A 21 MET CE :methyl -177:sc= -0.086 (180deg=-0.1) USER MOD Single : A 24 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.33!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= 1.19 (180deg=0.724) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -166:sc= -0.0159 (180deg=-0.263) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.21) USER MOD Single : A 58 GLN : amide:sc= 0.55 K(o=0.55,f=-0.79) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.46) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.0628 (180deg=-0.0628) 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 ----------------------------------------------------------------- ATOM 283 N ASN A 18 -7.902 9.264 2.561 1.00 23.45 N ATOM 284 CA ASN A 18 -6.823 8.344 2.975 1.00 44.23 C ATOM 285 C ASN A 18 -6.256 7.530 1.791 1.00 11.52 C ATOM 286 O ASN A 18 -7.001 7.001 0.970 1.00 23.11 O ATOM 287 CB ASN A 18 -7.316 7.380 4.076 1.00 41.51 C ATOM 288 CG ASN A 18 -7.422 8.034 5.444 1.00 74.11 C ATOM 289 OD1 ASN A 18 -8.333 7.745 6.213 1.00 5.11 O ATOM 290 ND2 ASN A 18 -6.469 8.882 5.781 1.00 64.32 N ATOM 0 HA ASN A 18 -6.019 8.966 3.368 1.00 44.23 H new ATOM 0 HB2 ASN A 18 -8.292 6.985 3.793 1.00 41.51 H new ATOM 0 HB3 ASN A 18 -6.635 6.532 4.138 1.00 41.51 H new ATOM 0 HD21 ASN A 18 -6.477 9.317 6.703 1.00 64.32 H new ATOM 0 HD22 ASN A 18 -5.725 9.102 5.119 1.00 64.32 H new ATOM 297 N PRO A 19 -4.918 7.400 1.701 1.00 63.41 N ATOM 298 CA PRO A 19 -4.267 6.599 0.649 1.00 34.12 C ATOM 299 C PRO A 19 -4.849 5.180 0.529 1.00 44.33 C ATOM 300 O PRO A 19 -4.994 4.652 -0.573 1.00 72.23 O ATOM 301 CB PRO A 19 -2.787 6.553 1.080 1.00 24.35 C ATOM 302 CG PRO A 19 -2.752 7.107 2.471 1.00 64.23 C ATOM 303 CD PRO A 19 -3.932 8.027 2.591 1.00 24.21 C ATOM 0 HA PRO A 19 -4.417 7.039 -0.337 1.00 34.12 H new ATOM 0 HB2 PRO A 19 -2.404 5.533 1.055 1.00 24.35 H new ATOM 0 HB3 PRO A 19 -2.165 7.144 0.408 1.00 24.35 H new ATOM 0 HG2 PRO A 19 -2.807 6.307 3.209 1.00 64.23 H new ATOM 0 HG3 PRO A 19 -1.821 7.644 2.652 1.00 64.23 H new ATOM 0 HD2 PRO A 19 -4.294 8.090 3.617 1.00 24.21 H new ATOM 0 HD3 PRO A 19 -3.689 9.042 2.276 1.00 24.21 H new ATOM 311 N VAL A 20 -5.191 4.576 1.670 1.00 51.41 N ATOM 312 CA VAL A 20 -5.756 3.223 1.691 1.00 75.25 C ATOM 313 C VAL A 20 -7.111 3.164 0.964 1.00 40.04 C ATOM 314 O VAL A 20 -7.275 2.423 -0.003 1.00 24.21 O ATOM 315 CB VAL A 20 -5.940 2.703 3.139 1.00 65.22 C ATOM 316 CG1 VAL A 20 -6.356 1.232 3.132 1.00 34.31 C ATOM 317 CG2 VAL A 20 -4.667 2.914 3.961 1.00 23.33 C ATOM 0 H VAL A 20 -5.087 5.002 2.591 1.00 51.41 H new ATOM 0 HA VAL A 20 -5.042 2.585 1.170 1.00 75.25 H new ATOM 0 HB VAL A 20 -6.737 3.277 3.611 1.00 65.22 H new ATOM 0 HG11 VAL A 20 -6.480 0.884 4.157 1.00 34.31 H new ATOM 0 HG12 VAL A 20 -7.298 1.123 2.595 1.00 34.31 H new ATOM 0 HG13 VAL A 20 -5.586 0.639 2.639 1.00 34.31 H new ATOM 0 HG21 VAL A 20 -4.822 2.541 4.973 1.00 23.33 H new ATOM 0 HG22 VAL A 20 -3.841 2.374 3.498 1.00 23.33 H new ATOM 0 HG23 VAL A 20 -4.430 3.977 3.998 1.00 23.33 H new ATOM 327 N MET A 21 -8.077 3.960 1.430 1.00 32.40 N ATOM 328 CA MET A 21 -9.426 3.952 0.848 1.00 15.24 C ATOM 329 C MET A 21 -9.419 4.479 -0.594 1.00 22.42 C ATOM 330 O MET A 21 -10.077 3.914 -1.464 1.00 33.54 O ATOM 331 CB MET A 21 -10.403 4.765 1.710 1.00 43.45 C ATOM 332 CG MET A 21 -10.531 4.255 3.140 1.00 50.41 C ATOM 333 SD MET A 21 -11.902 5.018 4.034 1.00 63.20 S ATOM 334 CE MET A 21 -11.357 6.723 4.135 1.00 24.33 C ATOM 0 H MET A 21 -7.954 4.614 2.203 1.00 32.40 H new ATOM 0 HA MET A 21 -9.764 2.916 0.827 1.00 15.24 H new ATOM 0 HB2 MET A 21 -10.075 5.804 1.733 1.00 43.45 H new ATOM 0 HB3 MET A 21 -11.386 4.751 1.240 1.00 43.45 H new ATOM 0 HG2 MET A 21 -10.670 3.174 3.124 1.00 50.41 H new ATOM 0 HG3 MET A 21 -9.601 4.449 3.675 1.00 50.41 H new ATOM 0 HE1 MET A 21 -12.080 7.303 4.709 1.00 24.33 H new ATOM 0 HE2 MET A 21 -10.385 6.766 4.627 1.00 24.33 H new ATOM 0 HE3 MET A 21 -11.274 7.139 3.131 1.00 24.33 H new ATOM 344 N GLU A 22 -8.669 5.557 -0.841 1.00 10.23 N ATOM 345 CA GLU A 22 -8.519 6.102 -2.198 1.00 61.20 C ATOM 346 C GLU A 22 -8.122 5.004 -3.194 1.00 53.02 C ATOM 347 O GLU A 22 -8.894 4.651 -4.084 1.00 72.21 O ATOM 348 CB GLU A 22 -7.452 7.209 -2.223 1.00 73.12 C ATOM 349 CG GLU A 22 -7.241 7.840 -3.604 1.00 63.43 C ATOM 350 CD GLU A 22 -8.235 8.952 -3.910 1.00 63.43 C ATOM 351 OE1 GLU A 22 -7.946 10.126 -3.579 1.00 10.22 O ATOM 352 OE2 GLU A 22 -9.306 8.665 -4.482 1.00 55.42 O ATOM 0 H GLU A 22 -8.157 6.070 -0.123 1.00 10.23 H new ATOM 0 HA GLU A 22 -9.483 6.517 -2.490 1.00 61.20 H new ATOM 0 HB2 GLU A 22 -7.737 7.990 -1.518 1.00 73.12 H new ATOM 0 HB3 GLU A 22 -6.505 6.795 -1.875 1.00 73.12 H new ATOM 0 HG2 GLU A 22 -6.228 8.239 -3.664 1.00 63.43 H new ATOM 0 HG3 GLU A 22 -7.324 7.066 -4.367 1.00 63.43 H new ATOM 359 N LEU A 23 -6.929 4.443 -3.006 1.00 22.01 N ATOM 360 CA LEU A 23 -6.397 3.411 -3.903 1.00 52.01 C ATOM 361 C LEU A 23 -7.354 2.211 -4.011 1.00 64.45 C ATOM 362 O LEU A 23 -7.602 1.696 -5.102 1.00 71.01 O ATOM 363 CB LEU A 23 -5.024 2.950 -3.400 1.00 73.10 C ATOM 364 CG LEU A 23 -4.282 1.956 -4.309 1.00 51.24 C ATOM 365 CD1 LEU A 23 -3.939 2.594 -5.653 1.00 35.23 C ATOM 366 CD2 LEU A 23 -3.027 1.438 -3.617 1.00 34.51 C ATOM 0 H LEU A 23 -6.306 4.686 -2.236 1.00 22.01 H new ATOM 0 HA LEU A 23 -6.295 3.843 -4.899 1.00 52.01 H new ATOM 0 HB2 LEU A 23 -4.394 3.829 -3.262 1.00 73.10 H new ATOM 0 HB3 LEU A 23 -5.151 2.492 -2.419 1.00 73.10 H new ATOM 0 HG LEU A 23 -4.942 1.110 -4.502 1.00 51.24 H new ATOM 0 HD11 LEU A 23 -3.415 1.870 -6.276 1.00 35.23 H new ATOM 0 HD12 LEU A 23 -4.856 2.906 -6.152 1.00 35.23 H new ATOM 0 HD13 LEU A 23 -3.301 3.463 -5.491 1.00 35.23 H new ATOM 0 HD21 LEU A 23 -2.513 0.736 -4.273 1.00 34.51 H new ATOM 0 HD22 LEU A 23 -2.365 2.274 -3.391 1.00 34.51 H new ATOM 0 HD23 LEU A 23 -3.304 0.933 -2.691 1.00 34.51 H new ATOM 378 N ASN A 24 -7.897 1.791 -2.870 1.00 33.42 N ATOM 379 CA ASN A 24 -8.837 0.664 -2.812 1.00 62.31 C ATOM 380 C ASN A 24 -10.106 0.945 -3.646 1.00 43.20 C ATOM 381 O ASN A 24 -10.709 0.029 -4.208 1.00 41.34 O ATOM 382 CB ASN A 24 -9.208 0.386 -1.346 1.00 72.30 C ATOM 383 CG ASN A 24 -9.855 -0.973 -1.123 1.00 74.43 C ATOM 384 OD1 ASN A 24 -10.523 -1.522 -1.991 1.00 51.31 O ATOM 385 ND2 ASN A 24 -9.668 -1.524 0.060 1.00 22.54 N ATOM 0 H ASN A 24 -7.702 2.216 -1.964 1.00 33.42 H new ATOM 0 HA ASN A 24 -8.353 -0.214 -3.239 1.00 62.31 H new ATOM 0 HB2 ASN A 24 -8.309 0.454 -0.734 1.00 72.30 H new ATOM 0 HB3 ASN A 24 -9.889 1.163 -1.000 1.00 72.30 H new ATOM 0 HD21 ASN A 24 -10.084 -2.431 0.272 1.00 22.54 H new ATOM 0 HD22 ASN A 24 -9.107 -1.044 0.763 1.00 22.54 H new ATOM 392 N GLU A 25 -10.513 2.214 -3.724 1.00 3.04 N ATOM 393 CA GLU A 25 -11.703 2.589 -4.499 1.00 61.34 C ATOM 394 C GLU A 25 -11.350 2.937 -5.955 1.00 25.24 C ATOM 395 O GLU A 25 -12.185 2.798 -6.854 1.00 35.54 O ATOM 396 CB GLU A 25 -12.443 3.760 -3.838 1.00 11.42 C ATOM 397 CG GLU A 25 -12.947 3.450 -2.430 1.00 51.23 C ATOM 398 CD GLU A 25 -14.007 4.431 -1.956 1.00 62.22 C ATOM 399 OE1 GLU A 25 -13.648 5.538 -1.500 1.00 42.22 O ATOM 400 OE2 GLU A 25 -15.209 4.102 -2.060 1.00 30.45 O ATOM 0 H GLU A 25 -10.043 2.994 -3.265 1.00 3.04 H new ATOM 0 HA GLU A 25 -12.362 1.721 -4.513 1.00 61.34 H new ATOM 0 HB2 GLU A 25 -11.777 4.622 -3.795 1.00 11.42 H new ATOM 0 HB3 GLU A 25 -13.290 4.043 -4.464 1.00 11.42 H new ATOM 0 HG2 GLU A 25 -13.357 2.440 -2.410 1.00 51.23 H new ATOM 0 HG3 GLU A 25 -12.107 3.466 -1.736 1.00 51.23 H new ATOM 407 N LYS A 26 -10.121 3.398 -6.186 1.00 65.34 N ATOM 408 CA LYS A 26 -9.641 3.673 -7.545 1.00 63.13 C ATOM 409 C LYS A 26 -9.452 2.355 -8.318 1.00 4.34 C ATOM 410 O LYS A 26 -9.838 2.235 -9.483 1.00 11.10 O ATOM 411 CB LYS A 26 -8.321 4.471 -7.510 1.00 53.33 C ATOM 412 CG LYS A 26 -8.436 5.860 -6.880 1.00 21.01 C ATOM 413 CD LYS A 26 -9.479 6.736 -7.575 1.00 31.13 C ATOM 414 CE LYS A 26 -9.129 7.021 -9.033 1.00 74.11 C ATOM 415 NZ LYS A 26 -10.147 7.888 -9.684 1.00 51.24 N ATOM 0 H LYS A 26 -9.439 3.589 -5.452 1.00 65.34 H new ATOM 0 HA LYS A 26 -10.389 4.277 -8.058 1.00 63.13 H new ATOM 0 HB2 LYS A 26 -7.578 3.896 -6.958 1.00 53.33 H new ATOM 0 HB3 LYS A 26 -7.949 4.578 -8.529 1.00 53.33 H new ATOM 0 HG2 LYS A 26 -8.697 5.757 -5.827 1.00 21.01 H new ATOM 0 HG3 LYS A 26 -7.466 6.355 -6.921 1.00 21.01 H new ATOM 0 HD2 LYS A 26 -10.451 6.244 -7.528 1.00 31.13 H new ATOM 0 HD3 LYS A 26 -9.573 7.679 -7.037 1.00 31.13 H new ATOM 0 HE2 LYS A 26 -8.153 7.504 -9.085 1.00 74.11 H new ATOM 0 HE3 LYS A 26 -9.049 6.081 -9.579 1.00 74.11 H new ATOM 0 HZ1 LYS A 26 -9.875 8.060 -10.673 1.00 51.24 H new ATOM 0 HZ2 LYS A 26 -11.074 7.416 -9.656 1.00 51.24 H new ATOM 0 HZ3 LYS A 26 -10.205 8.795 -9.178 1.00 51.24 H new ATOM 429 N ARG A 27 -8.863 1.367 -7.649 1.00 60.02 N ATOM 430 CA ARG A 27 -8.721 0.015 -8.199 1.00 40.41 C ATOM 431 C ARG A 27 -9.372 -1.021 -7.270 1.00 62.02 C ATOM 432 O ARG A 27 -8.864 -1.310 -6.191 1.00 1.12 O ATOM 433 CB ARG A 27 -7.239 -0.333 -8.407 1.00 1.43 C ATOM 434 CG ARG A 27 -6.564 0.426 -9.544 1.00 42.32 C ATOM 435 CD ARG A 27 -7.276 0.207 -10.878 1.00 50.32 C ATOM 436 NE ARG A 27 -6.384 0.405 -12.019 1.00 24.51 N ATOM 437 CZ ARG A 27 -6.750 0.886 -13.174 1.00 34.42 C ATOM 438 NH1 ARG A 27 -7.943 1.361 -13.350 1.00 44.35 N ATOM 439 NH2 ARG A 27 -5.910 0.897 -14.155 1.00 34.42 N ATOM 0 H ARG A 27 -8.471 1.477 -6.714 1.00 60.02 H new ATOM 0 HA ARG A 27 -9.228 -0.009 -9.164 1.00 40.41 H new ATOM 0 HB2 ARG A 27 -6.699 -0.132 -7.482 1.00 1.43 H new ATOM 0 HB3 ARG A 27 -7.154 -1.402 -8.600 1.00 1.43 H new ATOM 0 HG2 ARG A 27 -6.549 1.491 -9.311 1.00 42.32 H new ATOM 0 HG3 ARG A 27 -5.526 0.104 -9.629 1.00 42.32 H new ATOM 0 HD2 ARG A 27 -7.684 -0.803 -10.909 1.00 50.32 H new ATOM 0 HD3 ARG A 27 -8.119 0.893 -10.955 1.00 50.32 H new ATOM 0 HE ARG A 27 -5.404 0.148 -11.903 1.00 24.51 H new ATOM 0 HH11 ARG A 27 -8.610 1.362 -12.579 1.00 44.35 H new ATOM 0 HH12 ARG A 27 -8.214 1.734 -14.260 1.00 44.35 H new ATOM 0 HH21 ARG A 27 -4.967 0.531 -14.023 1.00 34.42 H new ATOM 0 HH22 ARG A 27 -6.189 1.272 -15.062 1.00 34.42 H new ATOM 453 N ARG A 28 -10.502 -1.571 -7.692 1.00 12.21 N ATOM 454 CA ARG A 28 -11.221 -2.568 -6.889 1.00 60.41 C ATOM 455 C ARG A 28 -10.585 -3.967 -7.026 1.00 34.02 C ATOM 456 O ARG A 28 -10.355 -4.453 -8.140 1.00 42.02 O ATOM 457 CB ARG A 28 -12.698 -2.615 -7.302 1.00 60.35 C ATOM 458 CG ARG A 28 -13.431 -1.281 -7.157 1.00 35.32 C ATOM 459 CD ARG A 28 -13.496 -0.809 -5.704 1.00 61.33 C ATOM 460 NE ARG A 28 -14.196 -1.761 -4.839 1.00 40.25 N ATOM 461 CZ ARG A 28 -14.931 -1.419 -3.811 1.00 64.24 C ATOM 462 NH1 ARG A 28 -15.134 -0.169 -3.529 1.00 21.44 N ATOM 463 NH2 ARG A 28 -15.484 -2.331 -3.078 1.00 22.42 N ATOM 0 H ARG A 28 -10.945 -1.349 -8.583 1.00 12.21 H new ATOM 0 HA ARG A 28 -11.151 -2.269 -5.843 1.00 60.41 H new ATOM 0 HB2 ARG A 28 -12.763 -2.942 -8.340 1.00 60.35 H new ATOM 0 HB3 ARG A 28 -13.209 -3.365 -6.699 1.00 60.35 H new ATOM 0 HG2 ARG A 28 -12.928 -0.525 -7.760 1.00 35.32 H new ATOM 0 HG3 ARG A 28 -14.443 -1.380 -7.550 1.00 35.32 H new ATOM 0 HD2 ARG A 28 -12.484 -0.657 -5.329 1.00 61.33 H new ATOM 0 HD3 ARG A 28 -14.000 0.156 -5.661 1.00 61.33 H new ATOM 0 HE ARG A 28 -14.105 -2.755 -5.051 1.00 40.25 H new ATOM 0 HH11 ARG A 28 -14.719 0.559 -4.111 1.00 21.44 H new ATOM 0 HH12 ARG A 28 -15.708 0.086 -2.726 1.00 21.44 H new ATOM 0 HH21 ARG A 28 -15.347 -3.317 -3.301 1.00 22.42 H new ATOM 0 HH22 ARG A 28 -16.057 -2.064 -2.277 1.00 22.42 H new ATOM 477 N GLY A 29 -10.301 -4.603 -5.889 1.00 24.14 N ATOM 478 CA GLY A 29 -9.706 -5.940 -5.885 1.00 33.24 C ATOM 479 C GLY A 29 -8.194 -5.918 -5.677 1.00 34.20 C ATOM 480 O GLY A 29 -7.440 -6.470 -6.481 1.00 73.44 O ATOM 0 H GLY A 29 -10.473 -4.215 -4.961 1.00 24.14 H new ATOM 0 HA2 GLY A 29 -10.167 -6.535 -5.097 1.00 33.24 H new ATOM 0 HA3 GLY A 29 -9.930 -6.435 -6.830 1.00 33.24 H new ATOM 484 N LEU A 30 -7.747 -5.285 -4.593 1.00 4.11 N ATOM 485 CA LEU A 30 -6.311 -5.138 -4.316 1.00 3.12 C ATOM 486 C LEU A 30 -5.832 -6.054 -3.178 1.00 23.31 C ATOM 487 O LEU A 30 -6.630 -6.584 -2.400 1.00 10.12 O ATOM 488 CB LEU A 30 -5.989 -3.683 -3.952 1.00 20.12 C ATOM 489 CG LEU A 30 -6.385 -2.636 -4.999 1.00 21.31 C ATOM 490 CD1 LEU A 30 -5.980 -1.241 -4.538 1.00 11.11 C ATOM 491 CD2 LEU A 30 -5.761 -2.959 -6.352 1.00 24.44 C ATOM 0 H LEU A 30 -8.355 -4.865 -3.890 1.00 4.11 H new ATOM 0 HA LEU A 30 -5.786 -5.429 -5.226 1.00 3.12 H new ATOM 0 HB2 LEU A 30 -6.491 -3.442 -3.015 1.00 20.12 H new ATOM 0 HB3 LEU A 30 -4.917 -3.601 -3.770 1.00 20.12 H new ATOM 0 HG LEU A 30 -7.469 -2.660 -5.113 1.00 21.31 H new ATOM 0 HD11 LEU A 30 -6.269 -0.510 -5.293 1.00 11.11 H new ATOM 0 HD12 LEU A 30 -6.481 -1.009 -3.598 1.00 11.11 H new ATOM 0 HD13 LEU A 30 -4.900 -1.205 -4.392 1.00 11.11 H new ATOM 0 HD21 LEU A 30 -6.056 -2.202 -7.079 1.00 24.44 H new ATOM 0 HD22 LEU A 30 -4.675 -2.969 -6.259 1.00 24.44 H new ATOM 0 HD23 LEU A 30 -6.105 -3.938 -6.687 1.00 24.44 H new ATOM 503 N LYS A 31 -4.512 -6.214 -3.095 1.00 64.41 N ATOM 504 CA LYS A 31 -3.859 -6.970 -2.014 1.00 34.31 C ATOM 505 C LYS A 31 -3.348 -6.029 -0.912 1.00 54.15 C ATOM 506 O LYS A 31 -2.672 -5.051 -1.203 1.00 10.05 O ATOM 507 CB LYS A 31 -2.663 -7.754 -2.582 1.00 2.21 C ATOM 508 CG LYS A 31 -1.711 -8.316 -1.520 1.00 11.40 C ATOM 509 CD LYS A 31 -0.270 -8.405 -2.031 1.00 24.12 C ATOM 510 CE LYS A 31 -0.090 -9.473 -3.102 1.00 44.21 C ATOM 511 NZ LYS A 31 -0.343 -10.839 -2.574 1.00 63.11 N ATOM 0 H LYS A 31 -3.859 -5.824 -3.775 1.00 64.41 H new ATOM 0 HA LYS A 31 -4.595 -7.651 -1.587 1.00 34.31 H new ATOM 0 HB2 LYS A 31 -3.039 -8.578 -3.188 1.00 2.21 H new ATOM 0 HB3 LYS A 31 -2.099 -7.101 -3.248 1.00 2.21 H new ATOM 0 HG2 LYS A 31 -1.743 -7.683 -0.633 1.00 11.40 H new ATOM 0 HG3 LYS A 31 -2.050 -9.307 -1.217 1.00 11.40 H new ATOM 0 HD2 LYS A 31 0.028 -7.438 -2.435 1.00 24.12 H new ATOM 0 HD3 LYS A 31 0.395 -8.620 -1.194 1.00 24.12 H new ATOM 0 HE2 LYS A 31 -0.769 -9.273 -3.931 1.00 44.21 H new ATOM 0 HE3 LYS A 31 0.923 -9.420 -3.500 1.00 44.21 H new ATOM 0 HZ1 LYS A 31 -0.033 -11.544 -3.273 1.00 63.11 H new ATOM 0 HZ2 LYS A 31 0.186 -10.972 -1.689 1.00 63.11 H new ATOM 0 HZ3 LYS A 31 -1.360 -10.958 -2.391 1.00 63.11 H new ATOM 525 N TYR A 32 -3.691 -6.305 0.344 1.00 60.12 N ATOM 526 CA TYR A 32 -3.049 -5.635 1.487 1.00 32.25 C ATOM 527 C TYR A 32 -2.537 -6.661 2.512 1.00 53.43 C ATOM 528 O TYR A 32 -3.311 -7.195 3.307 1.00 24.53 O ATOM 529 CB TYR A 32 -4.013 -4.642 2.156 1.00 41.33 C ATOM 530 CG TYR A 32 -4.337 -3.425 1.301 1.00 44.53 C ATOM 531 CD1 TYR A 32 -3.543 -2.281 1.349 1.00 0.45 C ATOM 532 CD2 TYR A 32 -5.438 -3.416 0.451 1.00 24.32 C ATOM 533 CE1 TYR A 32 -3.841 -1.169 0.580 1.00 11.31 C ATOM 534 CE2 TYR A 32 -5.739 -2.311 -0.322 1.00 10.41 C ATOM 535 CZ TYR A 32 -4.939 -1.192 -0.254 1.00 42.53 C ATOM 536 OH TYR A 32 -5.241 -0.089 -1.019 1.00 2.25 O ATOM 0 H TYR A 32 -4.407 -6.985 0.602 1.00 60.12 H new ATOM 0 HA TYR A 32 -2.194 -5.077 1.106 1.00 32.25 H new ATOM 0 HB2 TYR A 32 -4.941 -5.160 2.400 1.00 41.33 H new ATOM 0 HB3 TYR A 32 -3.578 -4.307 3.098 1.00 41.33 H new ATOM 0 HD1 TYR A 32 -2.680 -2.261 1.998 1.00 0.45 H new ATOM 0 HD2 TYR A 32 -6.070 -4.290 0.394 1.00 24.32 H new ATOM 0 HE1 TYR A 32 -3.217 -0.289 0.633 1.00 11.31 H new ATOM 0 HE2 TYR A 32 -6.598 -2.325 -0.977 1.00 10.41 H new ATOM 0 HH TYR A 32 -6.044 -0.270 -1.551 1.00 2.25 H new ATOM 546 N GLU A 33 -1.232 -6.929 2.501 1.00 23.12 N ATOM 547 CA GLU A 33 -0.640 -7.924 3.411 1.00 52.04 C ATOM 548 C GLU A 33 0.587 -7.374 4.152 1.00 55.21 C ATOM 549 O GLU A 33 1.115 -6.312 3.816 1.00 2.23 O ATOM 550 CB GLU A 33 -0.247 -9.191 2.635 1.00 3.34 C ATOM 551 CG GLU A 33 0.854 -8.963 1.606 1.00 13.35 C ATOM 552 CD GLU A 33 1.300 -10.244 0.917 1.00 20.12 C ATOM 553 OE1 GLU A 33 0.583 -10.730 0.018 1.00 41.24 O ATOM 554 OE2 GLU A 33 2.368 -10.781 1.275 1.00 40.21 O ATOM 0 H GLU A 33 -0.563 -6.477 1.878 1.00 23.12 H new ATOM 0 HA GLU A 33 -1.399 -8.167 4.155 1.00 52.04 H new ATOM 0 HB2 GLU A 33 0.081 -9.952 3.343 1.00 3.34 H new ATOM 0 HB3 GLU A 33 -1.129 -9.585 2.129 1.00 3.34 H new ATOM 0 HG2 GLU A 33 0.500 -8.257 0.854 1.00 13.35 H new ATOM 0 HG3 GLU A 33 1.712 -8.503 2.096 1.00 13.35 H new ATOM 561 N LEU A 34 1.035 -8.118 5.160 1.00 54.52 N ATOM 562 CA LEU A 34 2.197 -7.734 5.970 1.00 70.21 C ATOM 563 C LEU A 34 3.485 -8.388 5.441 1.00 44.30 C ATOM 564 O LEU A 34 3.535 -9.603 5.224 1.00 12.13 O ATOM 565 CB LEU A 34 1.975 -8.140 7.436 1.00 21.32 C ATOM 566 CG LEU A 34 3.142 -7.835 8.398 1.00 45.23 C ATOM 567 CD1 LEU A 34 3.329 -6.330 8.581 1.00 2.20 C ATOM 568 CD2 LEU A 34 2.924 -8.522 9.745 1.00 63.03 C ATOM 0 H LEU A 34 0.608 -9.001 5.441 1.00 54.52 H new ATOM 0 HA LEU A 34 2.310 -6.652 5.904 1.00 70.21 H new ATOM 0 HB2 LEU A 34 1.083 -7.632 7.803 1.00 21.32 H new ATOM 0 HB3 LEU A 34 1.770 -9.210 7.471 1.00 21.32 H new ATOM 0 HG LEU A 34 4.055 -8.232 7.954 1.00 45.23 H new ATOM 0 HD11 LEU A 34 4.158 -6.147 9.264 1.00 2.20 H new ATOM 0 HD12 LEU A 34 3.545 -5.870 7.617 1.00 2.20 H new ATOM 0 HD13 LEU A 34 2.417 -5.898 8.993 1.00 2.20 H new ATOM 0 HD21 LEU A 34 3.758 -8.294 10.409 1.00 63.03 H new ATOM 0 HD22 LEU A 34 1.997 -8.162 10.191 1.00 63.03 H new ATOM 0 HD23 LEU A 34 2.862 -9.600 9.598 1.00 63.03 H new ATOM 580 N ILE A 35 4.516 -7.577 5.236 1.00 42.52 N ATOM 581 CA ILE A 35 5.823 -8.066 4.777 1.00 1.54 C ATOM 582 C ILE A 35 6.828 -8.147 5.939 1.00 3.15 C ATOM 583 O ILE A 35 7.403 -9.202 6.204 1.00 42.35 O ATOM 584 CB ILE A 35 6.402 -7.153 3.666 1.00 24.33 C ATOM 585 CG1 ILE A 35 5.423 -7.061 2.484 1.00 31.05 C ATOM 586 CG2 ILE A 35 7.766 -7.663 3.197 1.00 40.43 C ATOM 587 CD1 ILE A 35 5.117 -8.397 1.828 1.00 11.04 C ATOM 0 H ILE A 35 4.477 -6.568 5.380 1.00 42.52 H new ATOM 0 HA ILE A 35 5.665 -9.066 4.373 1.00 1.54 H new ATOM 0 HB ILE A 35 6.539 -6.155 4.081 1.00 24.33 H new ATOM 0 HG12 ILE A 35 4.490 -6.617 2.832 1.00 31.05 H new ATOM 0 HG13 ILE A 35 5.837 -6.386 1.735 1.00 31.05 H new ATOM 0 HG21 ILE A 35 8.152 -7.006 2.417 1.00 40.43 H new ATOM 0 HG22 ILE A 35 8.459 -7.674 4.038 1.00 40.43 H new ATOM 0 HG23 ILE A 35 7.660 -8.673 2.801 1.00 40.43 H new ATOM 0 HD11 ILE A 35 4.420 -8.246 1.004 1.00 11.04 H new ATOM 0 HD12 ILE A 35 6.040 -8.835 1.447 1.00 11.04 H new ATOM 0 HD13 ILE A 35 4.672 -9.069 2.562 1.00 11.04 H new ATOM 599 N SER A 36 7.031 -7.028 6.632 1.00 41.15 N ATOM 600 CA SER A 36 7.973 -6.976 7.764 1.00 22.22 C ATOM 601 C SER A 36 7.297 -6.434 9.027 1.00 32.11 C ATOM 602 O SER A 36 6.446 -5.548 8.958 1.00 50.44 O ATOM 603 CB SER A 36 9.190 -6.105 7.421 1.00 63.54 C ATOM 604 OG SER A 36 10.072 -5.994 8.530 1.00 3.24 O ATOM 0 H SER A 36 6.561 -6.144 6.436 1.00 41.15 H new ATOM 0 HA SER A 36 8.305 -7.996 7.956 1.00 22.22 H new ATOM 0 HB2 SER A 36 9.721 -6.536 6.572 1.00 63.54 H new ATOM 0 HB3 SER A 36 8.856 -5.113 7.118 1.00 63.54 H new ATOM 0 HG SER A 36 10.839 -5.436 8.284 1.00 3.24 H new ATOM 740 N PHE A 46 6.783 -1.282 10.643 1.00 42.33 N ATOM 741 CA PHE A 46 6.024 -2.305 9.920 1.00 51.13 C ATOM 742 C PHE A 46 6.030 -2.010 8.414 1.00 1.11 C ATOM 743 O PHE A 46 5.938 -0.854 8.003 1.00 54.40 O ATOM 744 CB PHE A 46 4.578 -2.346 10.433 1.00 75.12 C ATOM 745 CG PHE A 46 4.460 -2.620 11.913 1.00 72.13 C ATOM 746 CD1 PHE A 46 4.575 -1.589 12.836 1.00 62.31 C ATOM 747 CD2 PHE A 46 4.238 -3.907 12.382 1.00 61.13 C ATOM 748 CE1 PHE A 46 4.466 -1.838 14.191 1.00 31.25 C ATOM 749 CE2 PHE A 46 4.129 -4.159 13.736 1.00 32.41 C ATOM 750 CZ PHE A 46 4.244 -3.126 14.643 1.00 5.42 C ATOM 0 HA PHE A 46 6.495 -3.273 10.092 1.00 51.13 H new ATOM 0 HB2 PHE A 46 4.097 -1.393 10.211 1.00 75.12 H new ATOM 0 HB3 PHE A 46 4.031 -3.114 9.887 1.00 75.12 H new ATOM 0 HD1 PHE A 46 4.752 -0.581 12.491 1.00 62.31 H new ATOM 0 HD2 PHE A 46 4.149 -4.722 11.679 1.00 61.13 H new ATOM 0 HE1 PHE A 46 4.554 -1.026 14.898 1.00 31.25 H new ATOM 0 HE2 PHE A 46 3.954 -5.166 14.085 1.00 32.41 H new ATOM 0 HZ PHE A 46 4.161 -3.322 15.702 1.00 5.42 H new ATOM 760 N VAL A 47 6.146 -3.050 7.594 1.00 73.21 N ATOM 761 CA VAL A 47 6.143 -2.889 6.135 1.00 32.40 C ATOM 762 C VAL A 47 5.000 -3.688 5.498 1.00 5.43 C ATOM 763 O VAL A 47 4.927 -4.907 5.654 1.00 32.33 O ATOM 764 CB VAL A 47 7.488 -3.341 5.511 1.00 42.12 C ATOM 765 CG1 VAL A 47 7.496 -3.101 4.002 1.00 42.05 C ATOM 766 CG2 VAL A 47 8.666 -2.633 6.186 1.00 13.43 C ATOM 0 H VAL A 47 6.243 -4.015 7.910 1.00 73.21 H new ATOM 0 HA VAL A 47 6.000 -1.828 5.933 1.00 32.40 H new ATOM 0 HB VAL A 47 7.598 -4.412 5.681 1.00 42.12 H new ATOM 0 HG11 VAL A 47 8.450 -3.426 3.587 1.00 42.05 H new ATOM 0 HG12 VAL A 47 6.687 -3.667 3.539 1.00 42.05 H new ATOM 0 HG13 VAL A 47 7.356 -2.039 3.802 1.00 42.05 H new ATOM 0 HG21 VAL A 47 9.599 -2.966 5.732 1.00 13.43 H new ATOM 0 HG22 VAL A 47 8.564 -1.555 6.058 1.00 13.43 H new ATOM 0 HG23 VAL A 47 8.674 -2.873 7.249 1.00 13.43 H new ATOM 776 N MET A 48 4.114 -2.996 4.783 1.00 70.44 N ATOM 777 CA MET A 48 2.945 -3.627 4.150 1.00 50.24 C ATOM 778 C MET A 48 3.058 -3.574 2.615 1.00 15.10 C ATOM 779 O MET A 48 3.644 -2.639 2.064 1.00 33.33 O ATOM 780 CB MET A 48 1.665 -2.907 4.603 1.00 71.03 C ATOM 781 CG MET A 48 1.515 -2.815 6.118 1.00 1.40 C ATOM 782 SD MET A 48 1.200 -4.409 6.898 1.00 21.23 S ATOM 783 CE MET A 48 -0.481 -4.717 6.369 1.00 1.34 C ATOM 0 H MET A 48 4.180 -1.991 4.624 1.00 70.44 H new ATOM 0 HA MET A 48 2.906 -4.673 4.455 1.00 50.24 H new ATOM 0 HB2 MET A 48 1.658 -1.901 4.185 1.00 71.03 H new ATOM 0 HB3 MET A 48 0.801 -3.429 4.193 1.00 71.03 H new ATOM 0 HG2 MET A 48 2.422 -2.384 6.541 1.00 1.40 H new ATOM 0 HG3 MET A 48 0.698 -2.134 6.355 1.00 1.40 H new ATOM 0 HE1 MET A 48 -0.906 -5.528 6.960 1.00 1.34 H new ATOM 0 HE2 MET A 48 -1.077 -3.815 6.509 1.00 1.34 H new ATOM 0 HE3 MET A 48 -0.486 -4.995 5.315 1.00 1.34 H new ATOM 793 N GLU A 49 2.500 -4.573 1.929 1.00 14.30 N ATOM 794 CA GLU A 49 2.547 -4.629 0.458 1.00 23.20 C ATOM 795 C GLU A 49 1.145 -4.537 -0.160 1.00 51.11 C ATOM 796 O GLU A 49 0.181 -5.108 0.361 1.00 14.34 O ATOM 797 CB GLU A 49 3.242 -5.917 -0.014 1.00 11.52 C ATOM 798 CG GLU A 49 3.351 -6.043 -1.534 1.00 34.20 C ATOM 799 CD GLU A 49 4.206 -7.225 -1.973 1.00 35.53 C ATOM 800 OE1 GLU A 49 5.439 -7.054 -2.104 1.00 12.23 O ATOM 801 OE2 GLU A 49 3.650 -8.322 -2.206 1.00 64.34 O ATOM 0 H GLU A 49 2.010 -5.355 2.363 1.00 14.30 H new ATOM 0 HA GLU A 49 3.122 -3.767 0.121 1.00 23.20 H new ATOM 0 HB2 GLU A 49 4.243 -5.956 0.416 1.00 11.52 H new ATOM 0 HB3 GLU A 49 2.694 -6.776 0.373 1.00 11.52 H new ATOM 0 HG2 GLU A 49 2.352 -6.147 -1.957 1.00 34.20 H new ATOM 0 HG3 GLU A 49 3.775 -5.124 -1.940 1.00 34.20 H new ATOM 808 N VAL A 50 1.046 -3.813 -1.278 1.00 75.13 N ATOM 809 CA VAL A 50 -0.215 -3.653 -2.005 1.00 51.43 C ATOM 810 C VAL A 50 -0.061 -3.995 -3.501 1.00 14.33 C ATOM 811 O VAL A 50 0.837 -3.495 -4.178 1.00 52.12 O ATOM 812 CB VAL A 50 -0.782 -2.215 -1.850 1.00 44.13 C ATOM 813 CG1 VAL A 50 0.196 -1.168 -2.388 1.00 41.44 C ATOM 814 CG2 VAL A 50 -2.145 -2.092 -2.534 1.00 44.00 C ATOM 0 H VAL A 50 1.834 -3.324 -1.703 1.00 75.13 H new ATOM 0 HA VAL A 50 -0.920 -4.357 -1.563 1.00 51.43 H new ATOM 0 HB VAL A 50 -0.916 -2.024 -0.785 1.00 44.13 H new ATOM 0 HG11 VAL A 50 -0.232 -0.173 -2.264 1.00 41.44 H new ATOM 0 HG12 VAL A 50 1.135 -1.230 -1.838 1.00 41.44 H new ATOM 0 HG13 VAL A 50 0.382 -1.354 -3.446 1.00 41.44 H new ATOM 0 HG21 VAL A 50 -2.523 -1.077 -2.413 1.00 44.00 H new ATOM 0 HG22 VAL A 50 -2.041 -2.316 -3.596 1.00 44.00 H new ATOM 0 HG23 VAL A 50 -2.844 -2.796 -2.082 1.00 44.00 H new ATOM 824 N GLU A 51 -0.935 -4.866 -4.002 1.00 1.44 N ATOM 825 CA GLU A 51 -0.931 -5.256 -5.420 1.00 45.55 C ATOM 826 C GLU A 51 -1.945 -4.435 -6.235 1.00 35.31 C ATOM 827 O GLU A 51 -3.155 -4.623 -6.106 1.00 72.22 O ATOM 828 CB GLU A 51 -1.251 -6.749 -5.549 1.00 34.40 C ATOM 829 CG GLU A 51 -1.220 -7.281 -6.978 1.00 11.42 C ATOM 830 CD GLU A 51 -1.608 -8.751 -7.064 1.00 22.52 C ATOM 831 OE1 GLU A 51 -1.067 -9.559 -6.283 1.00 75.13 O ATOM 832 OE2 GLU A 51 -2.446 -9.106 -7.921 1.00 64.52 O ATOM 0 H GLU A 51 -1.661 -5.320 -3.447 1.00 1.44 H new ATOM 0 HA GLU A 51 0.063 -5.056 -5.820 1.00 45.55 H new ATOM 0 HB2 GLU A 51 -0.538 -7.314 -4.949 1.00 34.40 H new ATOM 0 HB3 GLU A 51 -2.239 -6.934 -5.127 1.00 34.40 H new ATOM 0 HG2 GLU A 51 -1.899 -6.693 -7.595 1.00 11.42 H new ATOM 0 HG3 GLU A 51 -0.219 -7.148 -7.390 1.00 11.42 H new ATOM 839 N VAL A 52 -1.441 -3.521 -7.064 1.00 13.30 N ATOM 840 CA VAL A 52 -2.292 -2.675 -7.912 1.00 11.22 C ATOM 841 C VAL A 52 -1.990 -2.910 -9.406 1.00 54.11 C ATOM 842 O VAL A 52 -0.844 -2.774 -9.843 1.00 24.43 O ATOM 843 CB VAL A 52 -2.086 -1.177 -7.576 1.00 11.41 C ATOM 844 CG1 VAL A 52 -3.105 -0.298 -8.302 1.00 12.12 C ATOM 845 CG2 VAL A 52 -2.156 -0.952 -6.067 1.00 61.13 C ATOM 0 H VAL A 52 -0.442 -3.344 -7.169 1.00 13.30 H new ATOM 0 HA VAL A 52 -3.328 -2.948 -7.713 1.00 11.22 H new ATOM 0 HB VAL A 52 -1.094 -0.890 -7.924 1.00 11.41 H new ATOM 0 HG11 VAL A 52 -2.933 0.747 -8.045 1.00 12.12 H new ATOM 0 HG12 VAL A 52 -2.997 -0.429 -9.379 1.00 12.12 H new ATOM 0 HG13 VAL A 52 -4.113 -0.585 -8.001 1.00 12.12 H new ATOM 0 HG21 VAL A 52 -2.009 0.106 -5.850 1.00 61.13 H new ATOM 0 HG22 VAL A 52 -3.132 -1.266 -5.697 1.00 61.13 H new ATOM 0 HG23 VAL A 52 -1.377 -1.535 -5.576 1.00 61.13 H new ATOM 855 N ASP A 53 -3.021 -3.273 -10.178 1.00 23.22 N ATOM 856 CA ASP A 53 -2.866 -3.586 -11.612 1.00 13.35 C ATOM 857 C ASP A 53 -1.876 -4.749 -11.845 1.00 15.23 C ATOM 858 O ASP A 53 -1.394 -4.955 -12.964 1.00 60.23 O ATOM 859 CB ASP A 53 -2.409 -2.338 -12.391 1.00 31.15 C ATOM 860 CG ASP A 53 -3.488 -1.269 -12.467 1.00 12.33 C ATOM 861 OD1 ASP A 53 -3.668 -0.529 -11.488 1.00 31.43 O ATOM 862 OD2 ASP A 53 -4.166 -1.169 -13.514 1.00 60.52 O ATOM 0 H ASP A 53 -3.978 -3.359 -9.836 1.00 23.22 H new ATOM 0 HA ASP A 53 -3.842 -3.902 -11.981 1.00 13.35 H new ATOM 0 HB2 ASP A 53 -1.522 -1.921 -11.914 1.00 31.15 H new ATOM 0 HB3 ASP A 53 -2.120 -2.630 -13.401 1.00 31.15 H new ATOM 867 N GLY A 54 -1.602 -5.523 -10.794 1.00 43.15 N ATOM 868 CA GLY A 54 -0.633 -6.616 -10.883 1.00 72.10 C ATOM 869 C GLY A 54 0.736 -6.249 -10.307 1.00 60.21 C ATOM 870 O GLY A 54 1.575 -7.121 -10.069 1.00 71.30 O ATOM 0 H GLY A 54 -2.034 -5.415 -9.877 1.00 43.15 H new ATOM 0 HA2 GLY A 54 -1.023 -7.484 -10.352 1.00 72.10 H new ATOM 0 HA3 GLY A 54 -0.516 -6.906 -11.927 1.00 72.10 H new ATOM 874 N GLN A 55 0.948 -4.958 -10.066 1.00 1.11 N ATOM 875 CA GLN A 55 2.222 -4.445 -9.543 1.00 64.25 C ATOM 876 C GLN A 55 2.199 -4.384 -8.007 1.00 4.03 C ATOM 877 O GLN A 55 1.263 -3.851 -7.417 1.00 21.31 O ATOM 878 CB GLN A 55 2.475 -3.038 -10.108 1.00 24.14 C ATOM 879 CG GLN A 55 2.535 -2.978 -11.633 1.00 15.32 C ATOM 880 CD GLN A 55 2.321 -1.573 -12.178 1.00 65.12 C ATOM 881 OE1 GLN A 55 3.259 -0.799 -12.361 1.00 51.33 O ATOM 882 NE2 GLN A 55 1.074 -1.231 -12.429 1.00 51.01 N ATOM 0 H GLN A 55 0.246 -4.235 -10.226 1.00 1.11 H new ATOM 0 HA GLN A 55 3.021 -5.120 -9.850 1.00 64.25 H new ATOM 0 HB2 GLN A 55 1.686 -2.371 -9.760 1.00 24.14 H new ATOM 0 HB3 GLN A 55 3.414 -2.659 -9.703 1.00 24.14 H new ATOM 0 HG2 GLN A 55 3.503 -3.349 -11.969 1.00 15.32 H new ATOM 0 HG3 GLN A 55 1.778 -3.643 -12.048 1.00 15.32 H new ATOM 0 HE21 GLN A 55 0.320 -1.898 -12.266 1.00 51.01 H new ATOM 0 HE22 GLN A 55 0.863 -0.299 -12.787 1.00 51.01 H new ATOM 891 N LYS A 56 3.232 -4.922 -7.361 1.00 15.51 N ATOM 892 CA LYS A 56 3.291 -4.957 -5.891 1.00 72.42 C ATOM 893 C LYS A 56 4.194 -3.844 -5.326 1.00 73.22 C ATOM 894 O LYS A 56 5.385 -3.781 -5.633 1.00 44.54 O ATOM 895 CB LYS A 56 3.795 -6.327 -5.400 1.00 4.22 C ATOM 896 CG LYS A 56 2.855 -7.500 -5.700 1.00 22.02 C ATOM 897 CD LYS A 56 2.906 -7.935 -7.166 1.00 24.24 C ATOM 898 CE LYS A 56 1.950 -9.091 -7.440 1.00 64.20 C ATOM 899 NZ LYS A 56 2.040 -9.574 -8.843 1.00 70.10 N ATOM 0 H LYS A 56 4.039 -5.339 -7.825 1.00 15.51 H new ATOM 0 HA LYS A 56 2.277 -4.791 -5.527 1.00 72.42 H new ATOM 0 HB2 LYS A 56 4.763 -6.528 -5.859 1.00 4.22 H new ATOM 0 HB3 LYS A 56 3.957 -6.275 -4.323 1.00 4.22 H new ATOM 0 HG2 LYS A 56 3.120 -8.345 -5.065 1.00 22.02 H new ATOM 0 HG3 LYS A 56 1.834 -7.217 -5.444 1.00 22.02 H new ATOM 0 HD2 LYS A 56 2.650 -7.091 -7.806 1.00 24.24 H new ATOM 0 HD3 LYS A 56 3.922 -8.233 -7.423 1.00 24.24 H new ATOM 0 HE2 LYS A 56 2.172 -9.913 -6.760 1.00 64.20 H new ATOM 0 HE3 LYS A 56 0.929 -8.773 -7.232 1.00 64.20 H new ATOM 0 HZ1 LYS A 56 1.315 -10.301 -9.007 1.00 70.10 H new ATOM 0 HZ2 LYS A 56 1.886 -8.778 -9.495 1.00 70.10 H new ATOM 0 HZ3 LYS A 56 2.982 -9.981 -9.010 1.00 70.10 H new ATOM 913 N PHE A 57 3.624 -2.984 -4.483 1.00 53.41 N ATOM 914 CA PHE A 57 4.372 -1.883 -3.852 1.00 4.30 C ATOM 915 C PHE A 57 4.429 -2.058 -2.324 1.00 42.42 C ATOM 916 O PHE A 57 3.465 -2.512 -1.712 1.00 52.12 O ATOM 917 CB PHE A 57 3.717 -0.535 -4.192 1.00 21.42 C ATOM 918 CG PHE A 57 3.560 -0.285 -5.675 1.00 44.31 C ATOM 919 CD1 PHE A 57 4.564 0.340 -6.400 1.00 74.10 C ATOM 920 CD2 PHE A 57 2.405 -0.676 -6.341 1.00 0.43 C ATOM 921 CE1 PHE A 57 4.420 0.568 -7.756 1.00 35.00 C ATOM 922 CE2 PHE A 57 2.260 -0.449 -7.697 1.00 32.05 C ATOM 923 CZ PHE A 57 3.267 0.174 -8.406 1.00 51.44 C ATOM 0 H PHE A 57 2.640 -3.024 -4.216 1.00 53.41 H new ATOM 0 HA PHE A 57 5.390 -1.901 -4.241 1.00 4.30 H new ATOM 0 HB2 PHE A 57 2.735 -0.490 -3.720 1.00 21.42 H new ATOM 0 HB3 PHE A 57 4.315 0.267 -3.760 1.00 21.42 H new ATOM 0 HD1 PHE A 57 5.469 0.652 -5.899 1.00 74.10 H new ATOM 0 HD2 PHE A 57 1.612 -1.163 -5.793 1.00 0.43 H new ATOM 0 HE1 PHE A 57 5.210 1.055 -8.308 1.00 35.00 H new ATOM 0 HE2 PHE A 57 1.357 -0.760 -8.202 1.00 32.05 H new ATOM 0 HZ PHE A 57 3.154 0.353 -9.465 1.00 51.44 H new ATOM 933 N GLN A 58 5.556 -1.695 -1.708 1.00 40.45 N ATOM 934 CA GLN A 58 5.721 -1.825 -0.250 1.00 4.25 C ATOM 935 C GLN A 58 5.942 -0.468 0.440 1.00 22.53 C ATOM 936 O GLN A 58 6.609 0.420 -0.094 1.00 2.01 O ATOM 937 CB GLN A 58 6.887 -2.776 0.077 1.00 63.02 C ATOM 938 CG GLN A 58 6.574 -4.249 -0.180 1.00 43.12 C ATOM 939 CD GLN A 58 7.739 -5.173 0.145 1.00 32.45 C ATOM 940 OE1 GLN A 58 8.572 -4.877 1.001 1.00 44.20 O ATOM 941 NE2 GLN A 58 7.799 -6.310 -0.519 1.00 41.43 N ATOM 0 H GLN A 58 6.368 -1.309 -2.190 1.00 40.45 H new ATOM 0 HA GLN A 58 4.791 -2.241 0.138 1.00 4.25 H new ATOM 0 HB2 GLN A 58 7.754 -2.490 -0.518 1.00 63.02 H new ATOM 0 HB3 GLN A 58 7.163 -2.650 1.124 1.00 63.02 H new ATOM 0 HG2 GLN A 58 5.710 -4.540 0.417 1.00 43.12 H new ATOM 0 HG3 GLN A 58 6.297 -4.378 -1.226 1.00 43.12 H new ATOM 0 HE21 GLN A 58 7.094 -6.527 -1.223 1.00 41.43 H new ATOM 0 HE22 GLN A 58 8.551 -6.973 -0.329 1.00 41.43 H new ATOM 950 N GLY A 59 5.380 -0.330 1.638 1.00 21.25 N ATOM 951 CA GLY A 59 5.534 0.893 2.423 1.00 15.32 C ATOM 952 C GLY A 59 5.822 0.612 3.894 1.00 33.45 C ATOM 953 O GLY A 59 5.311 -0.360 4.454 1.00 31.42 O ATOM 0 H GLY A 59 4.814 -1.050 2.087 1.00 21.25 H new ATOM 0 HA2 GLY A 59 6.345 1.489 2.005 1.00 15.32 H new ATOM 0 HA3 GLY A 59 4.625 1.490 2.342 1.00 15.32 H new ATOM 957 N ALA A 60 6.634 1.462 4.521 1.00 33.33 N ATOM 958 CA ALA A 60 7.039 1.260 5.921 1.00 31.33 C ATOM 959 C ALA A 60 6.541 2.383 6.847 1.00 64.13 C ATOM 960 O ALA A 60 6.767 3.569 6.594 1.00 62.34 O ATOM 961 CB ALA A 60 8.558 1.141 6.013 1.00 35.32 C ATOM 0 H ALA A 60 7.027 2.297 4.087 1.00 33.33 H new ATOM 0 HA ALA A 60 6.574 0.334 6.260 1.00 31.33 H new ATOM 0 HB1 ALA A 60 8.849 0.992 7.053 1.00 35.32 H new ATOM 0 HB2 ALA A 60 8.893 0.292 5.417 1.00 35.32 H new ATOM 0 HB3 ALA A 60 9.018 2.054 5.635 1.00 35.32 H new ATOM 967 N GLY A 61 5.876 1.990 7.933 1.00 43.34 N ATOM 968 CA GLY A 61 5.397 2.945 8.929 1.00 54.42 C ATOM 969 C GLY A 61 5.456 2.388 10.352 1.00 41.44 C ATOM 970 O GLY A 61 5.433 1.172 10.542 1.00 51.01 O ATOM 0 H GLY A 61 5.657 1.016 8.145 1.00 43.34 H new ATOM 0 HA2 GLY A 61 5.996 3.854 8.873 1.00 54.42 H new ATOM 0 HA3 GLY A 61 4.370 3.225 8.694 1.00 54.42 H new ATOM 974 N SER A 62 5.527 3.272 11.354 1.00 23.55 N ATOM 975 CA SER A 62 5.620 2.848 12.771 1.00 44.52 C ATOM 976 C SER A 62 4.385 2.060 13.239 1.00 53.20 C ATOM 977 O SER A 62 4.381 1.489 14.328 1.00 24.45 O ATOM 978 CB SER A 62 5.860 4.055 13.697 1.00 54.13 C ATOM 979 OG SER A 62 7.152 4.607 13.493 1.00 23.43 O ATOM 0 H SER A 62 5.522 4.283 11.219 1.00 23.55 H new ATOM 0 HA SER A 62 6.476 2.176 12.832 1.00 44.52 H new ATOM 0 HB2 SER A 62 5.102 4.816 13.511 1.00 54.13 H new ATOM 0 HB3 SER A 62 5.753 3.746 14.737 1.00 54.13 H new ATOM 0 HG SER A 62 7.279 5.373 14.091 1.00 23.43 H new ATOM 985 N ASN A 63 3.336 2.047 12.424 1.00 61.41 N ATOM 986 CA ASN A 63 2.170 1.193 12.671 1.00 62.10 C ATOM 987 C ASN A 63 1.541 0.754 11.341 1.00 73.11 C ATOM 988 O ASN A 63 1.588 1.489 10.351 1.00 62.24 O ATOM 989 CB ASN A 63 1.155 1.893 13.586 1.00 51.45 C ATOM 990 CG ASN A 63 0.665 3.219 13.042 1.00 52.02 C ATOM 991 OD1 ASN A 63 1.315 4.250 13.198 1.00 44.23 O ATOM 992 ND2 ASN A 63 -0.499 3.212 12.429 1.00 43.23 N ATOM 0 H ASN A 63 3.265 2.619 11.582 1.00 61.41 H new ATOM 0 HA ASN A 63 2.499 0.295 13.195 1.00 62.10 H new ATOM 0 HB2 ASN A 63 0.300 1.234 13.739 1.00 51.45 H new ATOM 0 HB3 ASN A 63 1.610 2.056 14.563 1.00 51.45 H new ATOM 0 HD21 ASN A 63 -0.889 4.081 12.065 1.00 43.23 H new ATOM 0 HD22 ASN A 63 -1.011 2.337 12.317 1.00 43.23 H new ATOM 999 N LYS A 64 0.948 -0.440 11.330 1.00 43.15 N ATOM 1000 CA LYS A 64 0.559 -1.118 10.080 1.00 32.33 C ATOM 1001 C LYS A 64 -0.342 -0.275 9.161 1.00 15.00 C ATOM 1002 O LYS A 64 -0.202 -0.341 7.942 1.00 12.40 O ATOM 1003 CB LYS A 64 -0.096 -2.471 10.388 1.00 42.15 C ATOM 1004 CG LYS A 64 0.883 -3.480 10.982 1.00 60.21 C ATOM 1005 CD LYS A 64 0.232 -4.826 11.278 1.00 33.01 C ATOM 1006 CE LYS A 64 1.251 -5.815 11.834 1.00 44.24 C ATOM 1007 NZ LYS A 64 0.636 -7.117 12.199 1.00 24.10 N ATOM 0 H LYS A 64 0.723 -0.965 12.175 1.00 43.15 H new ATOM 0 HA LYS A 64 1.483 -1.274 9.523 1.00 32.33 H new ATOM 0 HB2 LYS A 64 -0.922 -2.320 11.083 1.00 42.15 H new ATOM 0 HB3 LYS A 64 -0.522 -2.880 9.472 1.00 42.15 H new ATOM 0 HG2 LYS A 64 1.712 -3.626 10.290 1.00 60.21 H new ATOM 0 HG3 LYS A 64 1.303 -3.074 11.902 1.00 60.21 H new ATOM 0 HD2 LYS A 64 -0.579 -4.692 11.994 1.00 33.01 H new ATOM 0 HD3 LYS A 64 -0.211 -5.228 10.367 1.00 33.01 H new ATOM 0 HE2 LYS A 64 2.034 -5.981 11.094 1.00 44.24 H new ATOM 0 HE3 LYS A 64 1.730 -5.383 12.713 1.00 44.24 H new ATOM 0 HZ1 LYS A 64 1.368 -7.755 12.572 1.00 24.10 H new ATOM 0 HZ2 LYS A 64 -0.093 -6.965 12.925 1.00 24.10 H new ATOM 0 HZ3 LYS A 64 0.201 -7.544 11.356 1.00 24.10 H new ATOM 1021 N LYS A 65 -1.256 0.515 9.722 1.00 51.32 N ATOM 1022 CA LYS A 65 -2.128 1.357 8.888 1.00 32.32 C ATOM 1023 C LYS A 65 -1.350 2.508 8.223 1.00 21.45 C ATOM 1024 O LYS A 65 -1.633 2.880 7.085 1.00 4.10 O ATOM 1025 CB LYS A 65 -3.317 1.898 9.691 1.00 74.43 C ATOM 1026 CG LYS A 65 -4.206 0.796 10.265 1.00 2.11 C ATOM 1027 CD LYS A 65 -5.609 1.297 10.597 1.00 50.45 C ATOM 1028 CE LYS A 65 -6.368 1.721 9.342 1.00 11.24 C ATOM 1029 NZ LYS A 65 -7.811 1.959 9.609 1.00 51.15 N ATOM 0 H LYS A 65 -1.415 0.594 10.727 1.00 51.32 H new ATOM 0 HA LYS A 65 -2.517 0.720 8.093 1.00 32.32 H new ATOM 0 HB2 LYS A 65 -2.945 2.517 10.507 1.00 74.43 H new ATOM 0 HB3 LYS A 65 -3.917 2.543 9.049 1.00 74.43 H new ATOM 0 HG2 LYS A 65 -4.275 -0.022 9.548 1.00 2.11 H new ATOM 0 HG3 LYS A 65 -3.744 0.392 11.166 1.00 2.11 H new ATOM 0 HD2 LYS A 65 -6.164 0.512 11.110 1.00 50.45 H new ATOM 0 HD3 LYS A 65 -5.541 2.141 11.284 1.00 50.45 H new ATOM 0 HE2 LYS A 65 -5.921 2.630 8.939 1.00 11.24 H new ATOM 0 HE3 LYS A 65 -6.264 0.949 8.579 1.00 11.24 H new ATOM 0 HZ1 LYS A 65 -8.285 2.244 8.728 1.00 51.15 H new ATOM 0 HZ2 LYS A 65 -8.246 1.086 9.969 1.00 51.15 H new ATOM 0 HZ3 LYS A 65 -7.913 2.714 10.317 1.00 51.15 H new ATOM 1043 N VAL A 66 -0.360 3.061 8.928 1.00 4.42 N ATOM 1044 CA VAL A 66 0.532 4.069 8.337 1.00 24.33 C ATOM 1045 C VAL A 66 1.442 3.422 7.282 1.00 1.31 C ATOM 1046 O VAL A 66 1.756 4.026 6.254 1.00 22.13 O ATOM 1047 CB VAL A 66 1.389 4.783 9.418 1.00 12.23 C ATOM 1048 CG1 VAL A 66 2.473 5.658 8.783 1.00 32.33 C ATOM 1049 CG2 VAL A 66 0.498 5.626 10.331 1.00 41.13 C ATOM 0 H VAL A 66 -0.154 2.832 9.901 1.00 4.42 H new ATOM 0 HA VAL A 66 -0.094 4.822 7.858 1.00 24.33 H new ATOM 0 HB VAL A 66 1.883 4.015 10.013 1.00 12.23 H new ATOM 0 HG11 VAL A 66 3.054 6.143 9.567 1.00 32.33 H new ATOM 0 HG12 VAL A 66 3.131 5.038 8.174 1.00 32.33 H new ATOM 0 HG13 VAL A 66 2.006 6.417 8.155 1.00 32.33 H new ATOM 0 HG21 VAL A 66 1.112 6.120 11.083 1.00 41.13 H new ATOM 0 HG22 VAL A 66 -0.024 6.377 9.738 1.00 41.13 H new ATOM 0 HG23 VAL A 66 -0.231 4.982 10.823 1.00 41.13 H new ATOM 1059 N ALA A 67 1.847 2.182 7.538 1.00 4.30 N ATOM 1060 CA ALA A 67 2.611 1.401 6.562 1.00 21.33 C ATOM 1061 C ALA A 67 1.777 1.140 5.296 1.00 33.24 C ATOM 1062 O ALA A 67 2.274 1.269 4.177 1.00 64.12 O ATOM 1063 CB ALA A 67 3.071 0.090 7.186 1.00 63.22 C ATOM 0 H ALA A 67 1.660 1.693 8.413 1.00 4.30 H new ATOM 0 HA ALA A 67 3.490 1.975 6.270 1.00 21.33 H new ATOM 0 HB1 ALA A 67 3.638 -0.483 6.452 1.00 63.22 H new ATOM 0 HB2 ALA A 67 3.703 0.300 8.049 1.00 63.22 H new ATOM 0 HB3 ALA A 67 2.202 -0.486 7.504 1.00 63.22 H new ATOM 1069 N LYS A 68 0.503 0.781 5.486 1.00 15.33 N ATOM 1070 CA LYS A 68 -0.444 0.641 4.371 1.00 33.41 C ATOM 1071 C LYS A 68 -0.613 1.974 3.631 1.00 51.03 C ATOM 1072 O LYS A 68 -0.786 2.002 2.412 1.00 22.23 O ATOM 1073 CB LYS A 68 -1.815 0.155 4.872 1.00 52.03 C ATOM 1074 CG LYS A 68 -1.822 -1.282 5.387 1.00 31.14 C ATOM 1075 CD LYS A 68 -3.195 -1.689 5.932 1.00 1.35 C ATOM 1076 CE LYS A 68 -4.281 -1.620 4.861 1.00 1.24 C ATOM 1077 NZ LYS A 68 -5.616 -2.008 5.390 1.00 21.34 N ATOM 0 H LYS A 68 0.102 0.581 6.402 1.00 15.33 H new ATOM 0 HA LYS A 68 -0.036 -0.100 3.683 1.00 33.41 H new ATOM 0 HB2 LYS A 68 -2.152 0.816 5.670 1.00 52.03 H new ATOM 0 HB3 LYS A 68 -2.537 0.241 4.060 1.00 52.03 H new ATOM 0 HG2 LYS A 68 -1.537 -1.958 4.581 1.00 31.14 H new ATOM 0 HG3 LYS A 68 -1.074 -1.390 6.172 1.00 31.14 H new ATOM 0 HD2 LYS A 68 -3.141 -2.703 6.328 1.00 1.35 H new ATOM 0 HD3 LYS A 68 -3.463 -1.036 6.762 1.00 1.35 H new ATOM 0 HE2 LYS A 68 -4.331 -0.607 4.461 1.00 1.24 H new ATOM 0 HE3 LYS A 68 -4.015 -2.277 4.033 1.00 1.24 H new ATOM 0 HZ1 LYS A 68 -6.322 -1.947 4.629 1.00 21.34 H new ATOM 0 HZ2 LYS A 68 -5.577 -2.983 5.748 1.00 21.34 H new ATOM 0 HZ3 LYS A 68 -5.883 -1.366 6.163 1.00 21.34 H new ATOM 1091 N ALA A 69 -0.572 3.075 4.381 1.00 4.54 N ATOM 1092 CA ALA A 69 -0.658 4.415 3.799 1.00 53.55 C ATOM 1093 C ALA A 69 0.520 4.694 2.851 1.00 43.54 C ATOM 1094 O ALA A 69 0.326 5.156 1.725 1.00 4.54 O ATOM 1095 CB ALA A 69 -0.720 5.465 4.902 1.00 11.52 C ATOM 0 H ALA A 69 -0.479 3.065 5.397 1.00 4.54 H new ATOM 0 HA ALA A 69 -1.573 4.468 3.210 1.00 53.55 H new ATOM 0 HB1 ALA A 69 -0.784 6.458 4.456 1.00 11.52 H new ATOM 0 HB2 ALA A 69 -1.598 5.289 5.523 1.00 11.52 H new ATOM 0 HB3 ALA A 69 0.178 5.400 5.517 1.00 11.52 H new ATOM 1101 N TYR A 70 1.742 4.412 3.313 1.00 3.43 N ATOM 1102 CA TYR A 70 2.938 4.555 2.472 1.00 32.45 C ATOM 1103 C TYR A 70 2.894 3.599 1.269 1.00 54.23 C ATOM 1104 O TYR A 70 3.224 3.987 0.150 1.00 70.20 O ATOM 1105 CB TYR A 70 4.221 4.316 3.291 1.00 55.54 C ATOM 1106 CG TYR A 70 4.671 5.519 4.100 1.00 75.24 C ATOM 1107 CD1 TYR A 70 5.316 6.587 3.480 1.00 3.23 C ATOM 1108 CD2 TYR A 70 4.460 5.591 5.473 1.00 43.34 C ATOM 1109 CE1 TYR A 70 5.736 7.684 4.202 1.00 12.35 C ATOM 1110 CE2 TYR A 70 4.880 6.688 6.202 1.00 71.12 C ATOM 1111 CZ TYR A 70 5.516 7.733 5.561 1.00 25.04 C ATOM 1112 OH TYR A 70 5.936 8.829 6.281 1.00 33.51 O ATOM 0 H TYR A 70 1.930 4.085 4.260 1.00 3.43 H new ATOM 0 HA TYR A 70 2.950 5.578 2.096 1.00 32.45 H new ATOM 0 HB2 TYR A 70 4.057 3.477 3.967 1.00 55.54 H new ATOM 0 HB3 TYR A 70 5.024 4.026 2.613 1.00 55.54 H new ATOM 0 HD1 TYR A 70 5.490 6.555 2.415 1.00 3.23 H new ATOM 0 HD2 TYR A 70 3.960 4.777 5.977 1.00 43.34 H new ATOM 0 HE1 TYR A 70 6.236 8.502 3.704 1.00 12.35 H new ATOM 0 HE2 TYR A 70 4.712 6.728 7.268 1.00 71.12 H new ATOM 0 HH TYR A 70 5.704 8.708 7.226 1.00 33.51 H new ATOM 1122 N ALA A 71 2.483 2.352 1.506 1.00 43.12 N ATOM 1123 CA ALA A 71 2.349 1.362 0.430 1.00 43.15 C ATOM 1124 C ALA A 71 1.375 1.848 -0.656 1.00 70.23 C ATOM 1125 O ALA A 71 1.686 1.822 -1.849 1.00 4.53 O ATOM 1126 CB ALA A 71 1.888 0.021 0.996 1.00 75.02 C ATOM 0 H ALA A 71 2.237 2.002 2.432 1.00 43.12 H new ATOM 0 HA ALA A 71 3.328 1.232 -0.031 1.00 43.15 H new ATOM 0 HB1 ALA A 71 1.793 -0.702 0.186 1.00 75.02 H new ATOM 0 HB2 ALA A 71 2.619 -0.339 1.720 1.00 75.02 H new ATOM 0 HB3 ALA A 71 0.922 0.146 1.486 1.00 75.02 H new ATOM 1132 N ALA A 72 0.200 2.298 -0.228 1.00 34.54 N ATOM 1133 CA ALA A 72 -0.806 2.842 -1.142 1.00 4.24 C ATOM 1134 C ALA A 72 -0.272 4.062 -1.916 1.00 51.05 C ATOM 1135 O ALA A 72 -0.420 4.147 -3.136 1.00 31.44 O ATOM 1136 CB ALA A 72 -2.069 3.201 -0.370 1.00 4.42 C ATOM 0 H ALA A 72 -0.083 2.298 0.752 1.00 34.54 H new ATOM 0 HA ALA A 72 -1.045 2.074 -1.878 1.00 4.24 H new ATOM 0 HB1 ALA A 72 -2.813 3.605 -1.057 1.00 4.42 H new ATOM 0 HB2 ALA A 72 -2.467 2.308 0.112 1.00 4.42 H new ATOM 0 HB3 ALA A 72 -1.832 3.947 0.388 1.00 4.42 H new ATOM 1142 N LEU A 73 0.353 5.002 -1.204 1.00 43.44 N ATOM 1143 CA LEU A 73 0.961 6.180 -1.838 1.00 23.24 C ATOM 1144 C LEU A 73 2.105 5.783 -2.790 1.00 65.24 C ATOM 1145 O LEU A 73 2.343 6.453 -3.795 1.00 12.51 O ATOM 1146 CB LEU A 73 1.466 7.168 -0.773 1.00 61.32 C ATOM 1147 CG LEU A 73 0.374 8.020 -0.094 1.00 61.23 C ATOM 1148 CD1 LEU A 73 0.974 8.900 1.003 1.00 31.42 C ATOM 1149 CD2 LEU A 73 -0.362 8.875 -1.127 1.00 55.23 C ATOM 0 H LEU A 73 0.453 4.973 -0.189 1.00 43.44 H new ATOM 0 HA LEU A 73 0.189 6.670 -2.432 1.00 23.24 H new ATOM 0 HB2 LEU A 73 1.997 6.607 -0.004 1.00 61.32 H new ATOM 0 HB3 LEU A 73 2.190 7.838 -1.237 1.00 61.32 H new ATOM 0 HG LEU A 73 -0.345 7.344 0.368 1.00 61.23 H new ATOM 0 HD11 LEU A 73 0.185 9.491 1.467 1.00 31.42 H new ATOM 0 HD12 LEU A 73 1.447 8.270 1.757 1.00 31.42 H new ATOM 0 HD13 LEU A 73 1.719 9.566 0.568 1.00 31.42 H new ATOM 0 HD21 LEU A 73 -1.128 9.469 -0.628 1.00 55.23 H new ATOM 0 HD22 LEU A 73 0.347 9.539 -1.621 1.00 55.23 H new ATOM 0 HD23 LEU A 73 -0.830 8.227 -1.868 1.00 55.23 H new ATOM 1161 N ALA A 74 2.802 4.690 -2.476 1.00 75.45 N ATOM 1162 CA ALA A 74 3.848 4.160 -3.360 1.00 22.32 C ATOM 1163 C ALA A 74 3.255 3.728 -4.712 1.00 11.12 C ATOM 1164 O ALA A 74 3.901 3.836 -5.756 1.00 31.34 O ATOM 1165 CB ALA A 74 4.567 2.989 -2.692 1.00 61.32 C ATOM 0 H ALA A 74 2.664 4.154 -1.619 1.00 75.45 H new ATOM 0 HA ALA A 74 4.573 4.953 -3.545 1.00 22.32 H new ATOM 0 HB1 ALA A 74 5.339 2.607 -3.360 1.00 61.32 H new ATOM 0 HB2 ALA A 74 5.025 3.326 -1.762 1.00 61.32 H new ATOM 0 HB3 ALA A 74 3.850 2.197 -2.476 1.00 61.32 H new ATOM 1171 N ALA A 75 2.018 3.234 -4.676 1.00 44.42 N ATOM 1172 CA ALA A 75 1.282 2.874 -5.892 1.00 22.45 C ATOM 1173 C ALA A 75 0.701 4.116 -6.586 1.00 10.55 C ATOM 1174 O ALA A 75 0.808 4.271 -7.802 1.00 21.54 O ATOM 1175 CB ALA A 75 0.171 1.884 -5.557 1.00 0.51 C ATOM 0 H ALA A 75 1.500 3.072 -3.812 1.00 44.42 H new ATOM 0 HA ALA A 75 1.982 2.405 -6.584 1.00 22.45 H new ATOM 0 HB1 ALA A 75 -0.370 1.623 -6.467 1.00 0.51 H new ATOM 0 HB2 ALA A 75 0.605 0.984 -5.122 1.00 0.51 H new ATOM 0 HB3 ALA A 75 -0.517 2.337 -4.843 1.00 0.51 H new ATOM 1181 N LEU A 76 0.095 5.002 -5.798 1.00 34.15 N ATOM 1182 CA LEU A 76 -0.527 6.227 -6.320 1.00 52.00 C ATOM 1183 C LEU A 76 0.490 7.117 -7.056 1.00 44.42 C ATOM 1184 O LEU A 76 0.273 7.494 -8.204 1.00 30.33 O ATOM 1185 CB LEU A 76 -1.200 7.007 -5.179 1.00 65.52 C ATOM 1186 CG LEU A 76 -2.438 6.329 -4.563 1.00 62.40 C ATOM 1187 CD1 LEU A 76 -2.944 7.114 -3.358 1.00 3.14 C ATOM 1188 CD2 LEU A 76 -3.541 6.169 -5.610 1.00 63.32 C ATOM 0 H LEU A 76 0.019 4.897 -4.786 1.00 34.15 H new ATOM 0 HA LEU A 76 -1.285 5.931 -7.046 1.00 52.00 H new ATOM 0 HB2 LEU A 76 -0.466 7.172 -4.390 1.00 65.52 H new ATOM 0 HB3 LEU A 76 -1.491 7.988 -5.554 1.00 65.52 H new ATOM 0 HG LEU A 76 -2.147 5.336 -4.220 1.00 62.40 H new ATOM 0 HD11 LEU A 76 -3.819 6.616 -2.940 1.00 3.14 H new ATOM 0 HD12 LEU A 76 -2.160 7.166 -2.602 1.00 3.14 H new ATOM 0 HD13 LEU A 76 -3.215 8.123 -3.669 1.00 3.14 H new ATOM 0 HD21 LEU A 76 -4.407 5.688 -5.155 1.00 63.32 H new ATOM 0 HD22 LEU A 76 -3.828 7.150 -5.989 1.00 63.32 H new ATOM 0 HD23 LEU A 76 -3.175 5.555 -6.433 1.00 63.32 H new ATOM 1200 N GLU A 77 1.607 7.428 -6.405 1.00 50.21 N ATOM 1201 CA GLU A 77 2.655 8.263 -7.013 1.00 12.52 C ATOM 1202 C GLU A 77 3.267 7.606 -8.266 1.00 15.23 C ATOM 1203 O GLU A 77 3.971 8.257 -9.040 1.00 35.45 O ATOM 1204 CB GLU A 77 3.759 8.551 -5.985 1.00 22.14 C ATOM 1205 CG GLU A 77 3.305 9.406 -4.805 1.00 0.22 C ATOM 1206 CD GLU A 77 2.844 10.794 -5.226 1.00 71.04 C ATOM 1207 OE1 GLU A 77 3.670 11.554 -5.774 1.00 33.44 O ATOM 1208 OE2 GLU A 77 1.664 11.136 -5.000 1.00 4.11 O ATOM 0 H GLU A 77 1.816 7.118 -5.456 1.00 50.21 H new ATOM 0 HA GLU A 77 2.187 9.197 -7.325 1.00 12.52 H new ATOM 0 HB2 GLU A 77 4.144 7.604 -5.607 1.00 22.14 H new ATOM 0 HB3 GLU A 77 4.586 9.054 -6.487 1.00 22.14 H new ATOM 0 HG2 GLU A 77 2.491 8.899 -4.287 1.00 0.22 H new ATOM 0 HG3 GLU A 77 4.125 9.501 -4.094 1.00 0.22 H new ATOM 1215 N LYS A 78 3.000 6.315 -8.454 1.00 25.10 N ATOM 1216 CA LYS A 78 3.543 5.564 -9.590 1.00 73.42 C ATOM 1217 C LYS A 78 2.522 5.492 -10.745 1.00 64.40 C ATOM 1218 O LYS A 78 2.853 5.761 -11.902 1.00 33.21 O ATOM 1219 CB LYS A 78 3.938 4.149 -9.113 1.00 5.14 C ATOM 1220 CG LYS A 78 4.935 3.408 -10.010 1.00 52.24 C ATOM 1221 CD LYS A 78 4.291 2.837 -11.273 1.00 72.11 C ATOM 1222 CE LYS A 78 5.293 2.044 -12.104 1.00 43.22 C ATOM 1223 NZ LYS A 78 4.676 1.477 -13.330 1.00 14.40 N ATOM 0 H LYS A 78 2.409 5.763 -7.833 1.00 25.10 H new ATOM 0 HA LYS A 78 4.426 6.077 -9.971 1.00 73.42 H new ATOM 0 HB2 LYS A 78 4.363 4.227 -8.112 1.00 5.14 H new ATOM 0 HB3 LYS A 78 3.033 3.547 -9.029 1.00 5.14 H new ATOM 0 HG2 LYS A 78 5.737 4.090 -10.294 1.00 52.24 H new ATOM 0 HG3 LYS A 78 5.392 2.597 -9.443 1.00 52.24 H new ATOM 0 HD2 LYS A 78 3.456 2.193 -10.997 1.00 72.11 H new ATOM 0 HD3 LYS A 78 3.882 3.650 -11.873 1.00 72.11 H new ATOM 0 HE2 LYS A 78 6.125 2.691 -12.383 1.00 43.22 H new ATOM 0 HE3 LYS A 78 5.706 1.236 -11.500 1.00 43.22 H new ATOM 0 HZ1 LYS A 78 5.422 1.217 -14.006 1.00 14.40 H new ATOM 0 HZ2 LYS A 78 4.124 0.631 -13.082 1.00 14.40 H new ATOM 0 HZ3 LYS A 78 4.049 2.185 -13.762 1.00 14.40 H new ATOM 1237 N LEU A 79 1.276 5.145 -10.418 1.00 63.24 N ATOM 1238 CA LEU A 79 0.231 4.915 -11.431 1.00 22.00 C ATOM 1239 C LEU A 79 -0.718 6.116 -11.596 1.00 42.12 C ATOM 1240 O LEU A 79 -1.209 6.379 -12.697 1.00 33.45 O ATOM 1241 CB LEU A 79 -0.588 3.670 -11.058 1.00 42.20 C ATOM 1242 CG LEU A 79 0.222 2.372 -10.922 1.00 34.44 C ATOM 1243 CD1 LEU A 79 -0.682 1.207 -10.529 1.00 34.33 C ATOM 1244 CD2 LEU A 79 0.969 2.067 -12.218 1.00 43.24 C ATOM 0 H LEU A 79 0.960 5.015 -9.457 1.00 63.24 H new ATOM 0 HA LEU A 79 0.741 4.769 -12.384 1.00 22.00 H new ATOM 0 HB2 LEU A 79 -1.100 3.861 -10.115 1.00 42.20 H new ATOM 0 HB3 LEU A 79 -1.358 3.521 -11.815 1.00 42.20 H new ATOM 0 HG LEU A 79 0.957 2.510 -10.129 1.00 34.44 H new ATOM 0 HD11 LEU A 79 -0.086 0.299 -10.439 1.00 34.33 H new ATOM 0 HD12 LEU A 79 -1.160 1.424 -9.574 1.00 34.33 H new ATOM 0 HD13 LEU A 79 -1.446 1.065 -11.293 1.00 34.33 H new ATOM 0 HD21 LEU A 79 1.537 1.144 -12.102 1.00 43.24 H new ATOM 0 HD22 LEU A 79 0.253 1.953 -13.032 1.00 43.24 H new ATOM 0 HD23 LEU A 79 1.651 2.886 -12.446 1.00 43.24 H new ATOM 1256 N PHE A 80 -0.971 6.849 -10.512 1.00 2.04 N ATOM 1257 CA PHE A 80 -1.946 7.954 -10.535 1.00 42.25 C ATOM 1258 C PHE A 80 -1.344 9.300 -10.054 1.00 12.45 C ATOM 1259 O PHE A 80 -1.958 9.992 -9.240 1.00 32.13 O ATOM 1260 CB PHE A 80 -3.154 7.591 -9.651 1.00 31.24 C ATOM 1261 CG PHE A 80 -3.801 6.268 -9.998 1.00 53.14 C ATOM 1262 CD1 PHE A 80 -4.624 6.153 -11.110 1.00 72.33 C ATOM 1263 CD2 PHE A 80 -3.593 5.145 -9.208 1.00 3.43 C ATOM 1264 CE1 PHE A 80 -5.224 4.948 -11.426 1.00 3.33 C ATOM 1265 CE2 PHE A 80 -4.190 3.937 -9.521 1.00 25.31 C ATOM 1266 CZ PHE A 80 -5.007 3.840 -10.633 1.00 41.11 C ATOM 0 H PHE A 80 -0.520 6.704 -9.609 1.00 2.04 H new ATOM 0 HA PHE A 80 -2.252 8.090 -11.572 1.00 42.25 H new ATOM 0 HB2 PHE A 80 -2.833 7.564 -8.610 1.00 31.24 H new ATOM 0 HB3 PHE A 80 -3.901 8.381 -9.734 1.00 31.24 H new ATOM 0 HD1 PHE A 80 -4.798 7.016 -11.736 1.00 72.33 H new ATOM 0 HD2 PHE A 80 -2.957 5.216 -8.338 1.00 3.43 H new ATOM 0 HE1 PHE A 80 -5.863 4.874 -12.294 1.00 3.33 H new ATOM 0 HE2 PHE A 80 -4.019 3.071 -8.898 1.00 25.31 H new ATOM 0 HZ PHE A 80 -5.474 2.898 -10.880 1.00 41.11 H new