USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 554 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 43 TYR OH : rot -94:sc= 0.0134 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -150:sc= -0.0111 (180deg=-0.995!) USER MOD Single : A 22 ASN : amide:sc= -0.574 X(o=-0.57,f=-0.37) USER MOD Single : A 23 SER OG : rot -120:sc= -0.757 USER MOD Single : A 24 MET CE :methyl 170:sc= 0 (180deg=-0.207) USER MOD Single : A 25 ASN : amide:sc=-0.00651 K(o=-0.0065,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -131:sc= -0.868 (180deg=-2.02) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 123:sc= -0.17 (180deg=-0.714) USER MOD Single : A 41 LYS NZ :NH3+ -139:sc= -2.52! (180deg=-5.45!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -7.93! C(o=-7.9!,f=-14!) USER MOD Single : A 50 THR OG1 : rot -92:sc= 0.526 USER MOD Single : A 54 CYS SG : rot 137:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.27) USER MOD Single : A 56 MET CE :methyl -157:sc= -0.729 (180deg=-2.31!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= -0.402 (180deg=-0.482) USER MOD Single : A 69 LYS NZ :NH3+ 159:sc= 0.0765 (180deg=0.0253) USER MOD Single : A 74 ASN : amide:sc= -0.0395 X(o=-0.039,f=-0.15) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -155:sc= -1.63 (180deg=-3.81!) USER MOD Single : A 86 GLN : amide:sc= -2.61 K(o=-2.6,f=-5.9!) USER MOD Single : A 87 ASN : amide:sc= -1.81! C(o=-1.8!,f=-6.8!) USER MOD Single : A 88 TYR OH : rot 180:sc= -1.51 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 246 N ASP A 19 1.646 1.195 -10.979 1.00 0.00 N ATOM 247 CA ASP A 19 0.309 1.355 -10.420 1.00 0.00 C ATOM 248 C ASP A 19 0.379 1.762 -8.952 1.00 0.00 C ATOM 249 O ASP A 19 -0.434 2.557 -8.478 1.00 0.00 O ATOM 250 CB ASP A 19 -0.486 0.056 -10.564 1.00 0.00 C ATOM 251 CG ASP A 19 -1.208 -0.036 -11.894 1.00 0.00 C ATOM 252 OD1 ASP A 19 -2.270 0.605 -12.037 1.00 0.00 O ATOM 253 OD2 ASP A 19 -0.712 -0.750 -12.791 1.00 0.00 O ATOM 0 HA ASP A 19 -0.197 2.145 -10.974 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.189 -0.793 -10.461 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.212 -0.014 -9.754 1.00 0.00 H new ATOM 258 N PHE A 20 1.354 1.213 -8.236 1.00 0.00 N ATOM 259 CA PHE A 20 1.529 1.517 -6.821 1.00 0.00 C ATOM 260 C PHE A 20 1.880 2.989 -6.621 1.00 0.00 C ATOM 261 O PHE A 20 1.164 3.720 -5.938 1.00 0.00 O ATOM 262 CB PHE A 20 2.624 0.634 -6.219 1.00 0.00 C ATOM 263 CG PHE A 20 2.930 0.954 -4.783 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.900 1.889 -4.460 1.00 0.00 C ATOM 265 CD2 PHE A 20 2.249 0.319 -3.758 1.00 0.00 C ATOM 266 CE1 PHE A 20 4.184 2.186 -3.140 1.00 0.00 C ATOM 267 CE2 PHE A 20 2.528 0.612 -2.436 1.00 0.00 C ATOM 268 CZ PHE A 20 3.498 1.546 -2.127 1.00 0.00 C ATOM 0 H PHE A 20 2.036 0.555 -8.613 1.00 0.00 H new ATOM 0 HA PHE A 20 0.587 1.313 -6.312 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.320 -0.410 -6.293 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.534 0.744 -6.809 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.440 2.392 -5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.491 -0.413 -3.994 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.942 2.918 -2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.988 0.111 -1.646 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.719 1.775 -1.095 1.00 0.00 H new ATOM 278 N GLU A 21 2.987 3.414 -7.220 1.00 0.00 N ATOM 279 CA GLU A 21 3.434 4.797 -7.107 1.00 0.00 C ATOM 280 C GLU A 21 2.331 5.762 -7.534 1.00 0.00 C ATOM 281 O GLU A 21 2.278 6.902 -7.076 1.00 0.00 O ATOM 282 CB GLU A 21 4.684 5.025 -7.959 1.00 0.00 C ATOM 283 CG GLU A 21 5.968 4.558 -7.294 1.00 0.00 C ATOM 284 CD GLU A 21 7.207 5.151 -7.936 1.00 0.00 C ATOM 285 OE1 GLU A 21 7.156 6.329 -8.347 1.00 0.00 O ATOM 286 OE2 GLU A 21 8.227 4.437 -8.026 1.00 0.00 O ATOM 0 H GLU A 21 3.591 2.821 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 21 3.677 4.988 -6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.566 4.503 -8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.769 6.087 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.945 4.829 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.023 3.470 -7.343 1.00 0.00 H new ATOM 293 N ASN A 22 1.453 5.295 -8.415 1.00 0.00 N ATOM 294 CA ASN A 22 0.352 6.116 -8.906 1.00 0.00 C ATOM 295 C ASN A 22 -0.703 6.314 -7.822 1.00 0.00 C ATOM 296 O ASN A 22 -1.102 7.441 -7.528 1.00 0.00 O ATOM 297 CB ASN A 22 -0.283 5.470 -10.139 1.00 0.00 C ATOM 298 CG ASN A 22 0.546 5.680 -11.392 1.00 0.00 C ATOM 299 OD1 ASN A 22 1.001 6.790 -11.670 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.745 4.612 -12.156 1.00 0.00 N ATOM 0 H ASN A 22 1.482 4.352 -8.804 1.00 0.00 H new ATOM 0 HA ASN A 22 0.753 7.091 -9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.407 4.401 -9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.279 5.885 -10.291 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.294 4.692 -13.012 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.349 3.711 -11.887 1.00 0.00 H new ATOM 307 N SER A 23 -1.152 5.211 -7.231 1.00 0.00 N ATOM 308 CA SER A 23 -2.163 5.262 -6.182 1.00 0.00 C ATOM 309 C SER A 23 -1.710 6.159 -5.034 1.00 0.00 C ATOM 310 O SER A 23 -2.381 7.132 -4.690 1.00 0.00 O ATOM 311 CB SER A 23 -2.458 3.855 -5.659 1.00 0.00 C ATOM 312 OG SER A 23 -3.035 3.046 -6.669 1.00 0.00 O ATOM 0 H SER A 23 -0.831 4.271 -7.461 1.00 0.00 H new ATOM 0 HA SER A 23 -3.074 5.681 -6.610 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.536 3.395 -5.303 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.134 3.915 -4.806 1.00 0.00 H new ATOM 0 HG SER A 23 -3.920 2.741 -6.378 1.00 0.00 H new ATOM 318 N MET A 24 -0.566 5.824 -4.446 1.00 0.00 N ATOM 319 CA MET A 24 -0.022 6.599 -3.338 1.00 0.00 C ATOM 320 C MET A 24 0.003 8.087 -3.675 1.00 0.00 C ATOM 321 O MET A 24 -0.226 8.932 -2.811 1.00 0.00 O ATOM 322 CB MET A 24 1.390 6.118 -2.995 1.00 0.00 C ATOM 323 CG MET A 24 2.330 6.095 -4.190 1.00 0.00 C ATOM 324 SD MET A 24 4.045 6.406 -3.729 1.00 0.00 S ATOM 325 CE MET A 24 4.492 7.667 -4.920 1.00 0.00 C ATOM 0 H MET A 24 0.002 5.021 -4.719 1.00 0.00 H new ATOM 0 HA MET A 24 -0.668 6.451 -2.473 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.809 6.766 -2.226 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.331 5.116 -2.570 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.260 5.126 -4.684 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.010 6.845 -4.914 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.461 8.090 -4.655 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.549 7.224 -5.914 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.739 8.455 -4.916 1.00 0.00 H new ATOM 335 N ASN A 25 0.283 8.398 -4.936 1.00 0.00 N ATOM 336 CA ASN A 25 0.339 9.784 -5.387 1.00 0.00 C ATOM 337 C ASN A 25 -1.022 10.458 -5.244 1.00 0.00 C ATOM 338 O ASN A 25 -1.126 11.563 -4.714 1.00 0.00 O ATOM 339 CB ASN A 25 0.803 9.851 -6.843 1.00 0.00 C ATOM 340 CG ASN A 25 1.060 11.272 -7.304 1.00 0.00 C ATOM 341 OD1 ASN A 25 1.169 12.190 -6.491 1.00 0.00 O ATOM 342 ND2 ASN A 25 1.158 11.461 -8.615 1.00 0.00 N ATOM 0 H ASN A 25 0.475 7.709 -5.664 1.00 0.00 H new ATOM 0 HA ASN A 25 1.055 10.315 -4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.714 9.264 -6.958 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.048 9.395 -7.483 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.330 12.396 -8.984 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.061 10.671 -9.253 1.00 0.00 H new ATOM 349 N GLN A 26 -2.063 9.783 -5.721 1.00 0.00 N ATOM 350 CA GLN A 26 -3.418 10.317 -5.647 1.00 0.00 C ATOM 351 C GLN A 26 -3.766 10.721 -4.218 1.00 0.00 C ATOM 352 O GLN A 26 -4.376 11.765 -3.988 1.00 0.00 O ATOM 353 CB GLN A 26 -4.424 9.284 -6.157 1.00 0.00 C ATOM 354 CG GLN A 26 -4.359 9.061 -7.660 1.00 0.00 C ATOM 355 CD GLN A 26 -5.689 8.626 -8.244 1.00 0.00 C ATOM 356 OE1 GLN A 26 -6.034 8.990 -9.368 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.443 7.843 -7.481 1.00 0.00 N ATOM 0 H GLN A 26 -1.994 8.866 -6.162 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.467 11.204 -6.278 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.247 8.336 -5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.430 9.606 -5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.037 9.982 -8.146 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.606 8.304 -7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.117 7.566 -6.555 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.348 7.519 -7.821 1.00 0.00 H new ATOM 366 N VAL A 27 -3.375 9.886 -3.260 1.00 0.00 N ATOM 367 CA VAL A 27 -3.646 10.156 -1.853 1.00 0.00 C ATOM 368 C VAL A 27 -3.172 11.551 -1.461 1.00 0.00 C ATOM 369 O VAL A 27 -3.711 12.165 -0.540 1.00 0.00 O ATOM 370 CB VAL A 27 -2.963 9.119 -0.942 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.276 9.405 0.519 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.394 7.710 -1.322 1.00 0.00 C ATOM 0 H VAL A 27 -2.870 9.017 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.726 10.091 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.884 9.194 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.785 8.663 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.914 10.399 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.354 9.359 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.902 6.990 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.475 7.619 -1.214 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.115 7.511 -2.357 1.00 0.00 H new ATOM 382 N LYS A 28 -2.162 12.047 -2.167 1.00 0.00 N ATOM 383 CA LYS A 28 -1.615 13.371 -1.895 1.00 0.00 C ATOM 384 C LYS A 28 -2.314 14.432 -2.739 1.00 0.00 C ATOM 385 O LYS A 28 -2.403 15.595 -2.344 1.00 0.00 O ATOM 386 CB LYS A 28 -0.111 13.392 -2.174 1.00 0.00 C ATOM 387 CG LYS A 28 0.691 12.487 -1.254 1.00 0.00 C ATOM 388 CD LYS A 28 2.133 12.359 -1.717 1.00 0.00 C ATOM 389 CE LYS A 28 2.727 11.015 -1.322 1.00 0.00 C ATOM 390 NZ LYS A 28 1.955 9.878 -1.894 1.00 0.00 N ATOM 0 H LYS A 28 -1.705 11.552 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.786 13.598 -0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.063 13.091 -3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.254 14.414 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.667 12.885 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.230 11.500 -1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.180 12.475 -2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.728 13.163 -1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.761 10.960 -1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.745 10.931 -0.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.751 9.186 -1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.062 10.231 -2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.513 9.422 -2.644 1.00 0.00 H new ATOM 519 N ASN A 36 -6.800 10.248 10.147 1.00 0.00 N ATOM 520 CA ASN A 36 -5.572 9.527 10.462 1.00 0.00 C ATOM 521 C ASN A 36 -5.778 8.021 10.341 1.00 0.00 C ATOM 522 O ASN A 36 -4.816 7.257 10.269 1.00 0.00 O ATOM 523 CB ASN A 36 -5.099 9.877 11.875 1.00 0.00 C ATOM 524 CG ASN A 36 -4.243 11.128 11.906 1.00 0.00 C ATOM 525 OD1 ASN A 36 -4.758 12.246 11.916 1.00 0.00 O ATOM 526 ND2 ASN A 36 -2.928 10.944 11.921 1.00 0.00 N ATOM 0 HA ASN A 36 -4.809 9.829 9.745 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.966 10.017 12.521 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.530 9.041 12.282 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.301 11.748 11.942 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.545 9.999 11.912 1.00 0.00 H new ATOM 533 N GLU A 37 -7.039 7.602 10.318 1.00 0.00 N ATOM 534 CA GLU A 37 -7.371 6.186 10.205 1.00 0.00 C ATOM 535 C GLU A 37 -6.834 5.603 8.902 1.00 0.00 C ATOM 536 O GLU A 37 -6.166 4.569 8.899 1.00 0.00 O ATOM 537 CB GLU A 37 -8.887 5.987 10.279 1.00 0.00 C ATOM 538 CG GLU A 37 -9.619 6.416 9.018 1.00 0.00 C ATOM 539 CD GLU A 37 -11.126 6.399 9.184 1.00 0.00 C ATOM 540 OE1 GLU A 37 -11.598 6.536 10.332 1.00 0.00 O ATOM 541 OE2 GLU A 37 -11.833 6.250 8.166 1.00 0.00 O ATOM 0 H GLU A 37 -7.847 8.222 10.376 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.902 5.662 11.038 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.098 4.935 10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.278 6.551 11.126 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.299 7.420 8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.340 5.755 8.198 1.00 0.00 H new ATOM 548 N VAL A 38 -7.130 6.275 7.793 1.00 0.00 N ATOM 549 CA VAL A 38 -6.677 5.825 6.482 1.00 0.00 C ATOM 550 C VAL A 38 -5.213 6.182 6.255 1.00 0.00 C ATOM 551 O VAL A 38 -4.444 5.386 5.715 1.00 0.00 O ATOM 552 CB VAL A 38 -7.526 6.440 5.354 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.659 7.943 5.544 1.00 0.00 C ATOM 554 CG2 VAL A 38 -6.920 6.117 3.996 1.00 0.00 C ATOM 0 H VAL A 38 -7.682 7.133 7.777 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.791 4.741 6.462 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.524 6.004 5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.262 8.360 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.141 8.148 6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.670 8.400 5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.532 6.559 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.910 6.524 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.883 5.036 3.862 1.00 0.00 H new ATOM 564 N LYS A 39 -4.831 7.385 6.671 1.00 0.00 N ATOM 565 CA LYS A 39 -3.458 7.849 6.515 1.00 0.00 C ATOM 566 C LYS A 39 -2.471 6.816 7.048 1.00 0.00 C ATOM 567 O LYS A 39 -1.285 6.845 6.714 1.00 0.00 O ATOM 568 CB LYS A 39 -3.262 9.181 7.243 1.00 0.00 C ATOM 569 CG LYS A 39 -3.468 10.396 6.354 1.00 0.00 C ATOM 570 CD LYS A 39 -4.940 10.749 6.224 1.00 0.00 C ATOM 571 CE LYS A 39 -5.366 11.763 7.274 1.00 0.00 C ATOM 572 NZ LYS A 39 -4.647 13.057 7.119 1.00 0.00 N ATOM 0 H LYS A 39 -5.454 8.057 7.119 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.268 7.992 5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.956 9.233 8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.256 9.213 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.924 11.246 6.766 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.051 10.200 5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.132 11.151 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.542 9.846 6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.440 11.933 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.175 11.358 8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.337 13.826 7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.069 13.237 7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.031 13.014 6.282 1.00 0.00 H new ATOM 586 N LEU A 40 -2.966 5.904 7.877 1.00 0.00 N ATOM 587 CA LEU A 40 -2.127 4.860 8.456 1.00 0.00 C ATOM 588 C LEU A 40 -2.195 3.584 7.624 1.00 0.00 C ATOM 589 O LEU A 40 -1.173 2.953 7.352 1.00 0.00 O ATOM 590 CB LEU A 40 -2.561 4.569 9.894 1.00 0.00 C ATOM 591 CG LEU A 40 -2.149 5.603 10.942 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.079 5.545 12.144 1.00 0.00 C ATOM 593 CD2 LEU A 40 -0.706 5.382 11.371 1.00 0.00 C ATOM 0 H LEU A 40 -3.944 5.866 8.164 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.097 5.215 8.459 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.647 4.475 9.913 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.152 3.602 10.187 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.227 6.595 10.496 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.770 6.288 12.879 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.100 5.753 11.824 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.034 4.552 12.591 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.430 6.127 12.117 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.602 4.385 11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.051 5.476 10.505 1.00 0.00 H new ATOM 605 N LYS A 41 -3.404 3.210 7.221 1.00 0.00 N ATOM 606 CA LYS A 41 -3.606 2.011 6.416 1.00 0.00 C ATOM 607 C LYS A 41 -2.793 2.077 5.127 1.00 0.00 C ATOM 608 O LYS A 41 -2.371 1.051 4.594 1.00 0.00 O ATOM 609 CB LYS A 41 -5.090 1.836 6.087 1.00 0.00 C ATOM 610 CG LYS A 41 -5.512 2.519 4.797 1.00 0.00 C ATOM 611 CD LYS A 41 -6.959 2.211 4.451 1.00 0.00 C ATOM 612 CE LYS A 41 -7.822 2.110 5.700 1.00 0.00 C ATOM 613 NZ LYS A 41 -7.653 0.799 6.386 1.00 0.00 N ATOM 0 H LYS A 41 -4.260 3.720 7.439 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.265 1.153 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.315 0.772 6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.685 2.232 6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.382 3.597 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.865 2.193 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.352 2.990 3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.010 1.274 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.562 2.916 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.869 2.246 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.579 0.456 6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.243 0.111 5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.019 0.914 7.202 1.00 0.00 H new ATOM 627 N LEU A 42 -2.577 3.291 4.632 1.00 0.00 N ATOM 628 CA LEU A 42 -1.813 3.491 3.405 1.00 0.00 C ATOM 629 C LEU A 42 -0.322 3.288 3.653 1.00 0.00 C ATOM 630 O LEU A 42 0.403 2.809 2.781 1.00 0.00 O ATOM 631 CB LEU A 42 -2.062 4.895 2.850 1.00 0.00 C ATOM 632 CG LEU A 42 -3.222 5.030 1.862 1.00 0.00 C ATOM 633 CD1 LEU A 42 -2.998 4.139 0.650 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.541 4.689 2.540 1.00 0.00 C ATOM 0 H LEU A 42 -2.920 4.151 5.061 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.145 2.753 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.244 5.568 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.151 5.237 2.359 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.267 6.065 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.833 4.249 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.073 4.429 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.926 3.100 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.356 4.790 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.507 3.663 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.707 5.369 3.376 1.00 0.00 H new ATOM 646 N TYR A 43 0.129 3.652 4.848 1.00 0.00 N ATOM 647 CA TYR A 43 1.534 3.510 5.211 1.00 0.00 C ATOM 648 C TYR A 43 1.863 2.061 5.557 1.00 0.00 C ATOM 649 O TYR A 43 2.974 1.590 5.316 1.00 0.00 O ATOM 650 CB TYR A 43 1.871 4.418 6.395 1.00 0.00 C ATOM 651 CG TYR A 43 2.917 3.841 7.322 1.00 0.00 C ATOM 652 CD1 TYR A 43 4.270 4.065 7.100 1.00 0.00 C ATOM 653 CD2 TYR A 43 2.552 3.071 8.420 1.00 0.00 C ATOM 654 CE1 TYR A 43 5.230 3.539 7.944 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.504 2.542 9.269 1.00 0.00 C ATOM 656 CZ TYR A 43 4.842 2.779 9.027 1.00 0.00 C ATOM 657 OH TYR A 43 5.793 2.253 9.871 1.00 0.00 O ATOM 0 H TYR A 43 -0.458 4.048 5.582 1.00 0.00 H new ATOM 0 HA TYR A 43 2.137 3.806 4.352 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.222 5.378 6.017 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.961 4.613 6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.577 4.661 6.253 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.506 2.883 8.612 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.278 3.722 7.756 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.203 1.946 10.118 1.00 0.00 H new ATOM 0 HH TYR A 43 6.007 1.338 9.593 1.00 0.00 H new ATOM 667 N ALA A 44 0.887 1.358 6.124 1.00 0.00 N ATOM 668 CA ALA A 44 1.071 -0.037 6.501 1.00 0.00 C ATOM 669 C ALA A 44 1.524 -0.873 5.309 1.00 0.00 C ATOM 670 O ALA A 44 2.465 -1.662 5.412 1.00 0.00 O ATOM 671 CB ALA A 44 -0.217 -0.600 7.084 1.00 0.00 C ATOM 0 H ALA A 44 -0.039 1.733 6.332 1.00 0.00 H new ATOM 0 HA ALA A 44 1.851 -0.083 7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.065 -1.643 7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.498 -0.027 7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.012 -0.534 6.341 1.00 0.00 H new ATOM 677 N LEU A 45 0.849 -0.698 4.179 1.00 0.00 N ATOM 678 CA LEU A 45 1.182 -1.437 2.966 1.00 0.00 C ATOM 679 C LEU A 45 2.508 -0.959 2.384 1.00 0.00 C ATOM 680 O LEU A 45 3.377 -1.764 2.049 1.00 0.00 O ATOM 681 CB LEU A 45 0.070 -1.279 1.928 1.00 0.00 C ATOM 682 CG LEU A 45 -1.162 -2.163 2.124 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.751 -3.568 2.537 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.097 -1.553 3.159 1.00 0.00 C ATOM 0 H LEU A 45 0.067 -0.051 4.077 1.00 0.00 H new ATOM 0 HA LEU A 45 1.280 -2.491 3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.252 -0.238 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.488 -1.486 0.943 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.694 -2.227 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.641 -4.183 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.122 -4.006 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.195 -3.524 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.968 -2.195 3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.574 -1.459 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.419 -0.567 2.823 1.00 0.00 H new ATOM 696 N TYR A 46 2.657 0.356 2.267 1.00 0.00 N ATOM 697 CA TYR A 46 3.878 0.942 1.726 1.00 0.00 C ATOM 698 C TYR A 46 5.113 0.238 2.280 1.00 0.00 C ATOM 699 O TYR A 46 5.936 -0.283 1.527 1.00 0.00 O ATOM 700 CB TYR A 46 3.940 2.435 2.051 1.00 0.00 C ATOM 701 CG TYR A 46 5.338 3.008 2.005 1.00 0.00 C ATOM 702 CD1 TYR A 46 6.161 2.795 0.906 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.837 3.760 3.061 1.00 0.00 C ATOM 704 CE1 TYR A 46 7.440 3.315 0.860 1.00 0.00 C ATOM 705 CE2 TYR A 46 7.114 4.285 3.023 1.00 0.00 C ATOM 706 CZ TYR A 46 7.912 4.060 1.920 1.00 0.00 C ATOM 707 OH TYR A 46 9.185 4.581 1.879 1.00 0.00 O ATOM 0 H TYR A 46 1.948 1.036 2.539 1.00 0.00 H new ATOM 0 HA TYR A 46 3.863 0.813 0.644 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.311 2.978 1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.522 2.600 3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.794 2.213 0.073 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.216 3.937 3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.067 3.139 -0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.486 4.869 3.852 1.00 0.00 H new ATOM 0 HH TYR A 46 9.361 5.080 2.704 1.00 0.00 H new ATOM 717 N LYS A 47 5.235 0.225 3.603 1.00 0.00 N ATOM 718 CA LYS A 47 6.367 -0.415 4.261 1.00 0.00 C ATOM 719 C LYS A 47 6.324 -1.928 4.067 1.00 0.00 C ATOM 720 O LYS A 47 7.340 -2.609 4.207 1.00 0.00 O ATOM 721 CB LYS A 47 6.370 -0.082 5.755 1.00 0.00 C ATOM 722 CG LYS A 47 6.477 1.405 6.046 1.00 0.00 C ATOM 723 CD LYS A 47 7.877 1.927 5.769 1.00 0.00 C ATOM 724 CE LYS A 47 8.766 1.819 6.999 1.00 0.00 C ATOM 725 NZ LYS A 47 8.698 3.045 7.841 1.00 0.00 N ATOM 0 H LYS A 47 4.563 0.651 4.241 1.00 0.00 H new ATOM 0 HA LYS A 47 7.282 -0.033 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.456 -0.467 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.203 -0.598 6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.757 1.949 5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.217 1.593 7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.320 1.364 4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.822 2.967 5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.464 0.955 7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.797 1.648 6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.605 3.180 8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.505 3.870 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.937 2.943 8.542 1.00 0.00 H new ATOM 739 N GLN A 48 5.144 -2.445 3.743 1.00 0.00 N ATOM 740 CA GLN A 48 4.971 -3.877 3.528 1.00 0.00 C ATOM 741 C GLN A 48 5.392 -4.271 2.117 1.00 0.00 C ATOM 742 O GLN A 48 5.814 -5.402 1.877 1.00 0.00 O ATOM 743 CB GLN A 48 3.514 -4.278 3.770 1.00 0.00 C ATOM 744 CG GLN A 48 3.320 -5.772 3.973 1.00 0.00 C ATOM 745 CD GLN A 48 3.437 -6.183 5.427 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.238 -5.372 6.332 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.762 -7.450 5.660 1.00 0.00 N ATOM 0 H GLN A 48 4.294 -1.894 3.624 1.00 0.00 H new ATOM 0 HA GLN A 48 5.608 -4.405 4.237 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.141 -3.749 4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.911 -3.954 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.340 -6.062 3.595 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.061 -6.314 3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.918 -8.088 4.880 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.855 -7.784 6.619 1.00 0.00 H new ATOM 756 N ALA A 49 5.273 -3.331 1.185 1.00 0.00 N ATOM 757 CA ALA A 49 5.643 -3.579 -0.203 1.00 0.00 C ATOM 758 C ALA A 49 7.031 -3.027 -0.509 1.00 0.00 C ATOM 759 O ALA A 49 7.443 -2.960 -1.667 1.00 0.00 O ATOM 760 CB ALA A 49 4.611 -2.970 -1.141 1.00 0.00 C ATOM 0 H ALA A 49 4.923 -2.390 1.366 1.00 0.00 H new ATOM 0 HA ALA A 49 5.668 -4.657 -0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.900 -3.163 -2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.635 -3.416 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.557 -1.894 -0.974 1.00 0.00 H new ATOM 766 N THR A 50 7.749 -2.630 0.538 1.00 0.00 N ATOM 767 CA THR A 50 9.090 -2.081 0.381 1.00 0.00 C ATOM 768 C THR A 50 10.061 -2.710 1.374 1.00 0.00 C ATOM 769 O THR A 50 11.232 -2.919 1.061 1.00 0.00 O ATOM 770 CB THR A 50 9.097 -0.553 0.570 1.00 0.00 C ATOM 771 OG1 THR A 50 8.384 -0.204 1.762 1.00 0.00 O ATOM 772 CG2 THR A 50 8.467 0.144 -0.627 1.00 0.00 C ATOM 0 H THR A 50 7.424 -2.679 1.503 1.00 0.00 H new ATOM 0 HA THR A 50 9.411 -2.315 -0.634 1.00 0.00 H new ATOM 0 HB THR A 50 10.133 -0.224 0.657 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.447 -0.023 1.541 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.483 1.223 -0.470 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.030 -0.100 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.436 -0.190 -0.741 1.00 0.00 H new ATOM 780 N GLU A 51 9.565 -3.009 2.571 1.00 0.00 N ATOM 781 CA GLU A 51 10.391 -3.614 3.609 1.00 0.00 C ATOM 782 C GLU A 51 9.911 -5.026 3.932 1.00 0.00 C ATOM 783 O GLU A 51 10.711 -5.912 4.228 1.00 0.00 O ATOM 784 CB GLU A 51 10.369 -2.754 4.874 1.00 0.00 C ATOM 785 CG GLU A 51 10.646 -1.282 4.616 1.00 0.00 C ATOM 786 CD GLU A 51 10.910 -0.505 5.891 1.00 0.00 C ATOM 787 OE1 GLU A 51 10.034 -0.512 6.781 1.00 0.00 O ATOM 788 OE2 GLU A 51 11.991 0.109 5.998 1.00 0.00 O ATOM 0 H GLU A 51 8.597 -2.842 2.845 1.00 0.00 H new ATOM 0 HA GLU A 51 11.413 -3.673 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.395 -2.853 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.110 -3.137 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.507 -1.189 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.795 -0.842 4.096 1.00 0.00 H new ATOM 795 N GLY A 52 8.598 -5.226 3.873 1.00 0.00 N ATOM 796 CA GLY A 52 8.034 -6.532 4.162 1.00 0.00 C ATOM 797 C GLY A 52 7.249 -6.550 5.459 1.00 0.00 C ATOM 798 O GLY A 52 6.560 -5.591 5.806 1.00 0.00 O ATOM 0 H GLY A 52 7.915 -4.508 3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.382 -6.832 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.837 -7.267 4.216 1.00 0.00 H new ATOM 802 N PRO A 53 7.348 -7.664 6.200 1.00 0.00 N ATOM 803 CA PRO A 53 6.648 -7.830 7.477 1.00 0.00 C ATOM 804 C PRO A 53 7.218 -6.935 8.571 1.00 0.00 C ATOM 805 O PRO A 53 8.431 -6.738 8.657 1.00 0.00 O ATOM 806 CB PRO A 53 6.879 -9.305 7.818 1.00 0.00 C ATOM 807 CG PRO A 53 8.138 -9.665 7.109 1.00 0.00 C ATOM 808 CD PRO A 53 8.152 -8.847 5.847 1.00 0.00 C ATOM 0 HA PRO A 53 5.596 -7.554 7.404 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.975 -9.452 8.894 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.046 -9.924 7.484 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.009 -9.446 7.726 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.168 -10.731 6.883 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.166 -8.572 5.557 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.718 -9.393 5.009 1.00 0.00 H new ATOM 816 N CYS A 54 6.337 -6.395 9.406 1.00 0.00 N ATOM 817 CA CYS A 54 6.753 -5.519 10.495 1.00 0.00 C ATOM 818 C CYS A 54 7.875 -6.157 11.307 1.00 0.00 C ATOM 819 O CYS A 54 7.643 -7.081 12.086 1.00 0.00 O ATOM 820 CB CYS A 54 5.565 -5.203 11.405 1.00 0.00 C ATOM 821 SG CYS A 54 6.020 -4.407 12.964 1.00 0.00 S ATOM 0 H CYS A 54 5.330 -6.549 9.350 1.00 0.00 H new ATOM 0 HA CYS A 54 7.125 -4.591 10.060 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.872 -4.556 10.868 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.032 -6.129 11.624 1.00 0.00 H new ATOM 0 HG CYS A 54 5.189 -3.440 13.216 1.00 0.00 H new ATOM 827 N ASN A 55 9.092 -5.658 11.118 1.00 0.00 N ATOM 828 CA ASN A 55 10.252 -6.181 11.832 1.00 0.00 C ATOM 829 C ASN A 55 10.850 -5.120 12.750 1.00 0.00 C ATOM 830 O ASN A 55 11.973 -5.263 13.232 1.00 0.00 O ATOM 831 CB ASN A 55 11.310 -6.668 10.840 1.00 0.00 C ATOM 832 CG ASN A 55 11.988 -5.524 10.110 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.896 -4.885 10.643 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.549 -5.262 8.885 1.00 0.00 N ATOM 0 H ASN A 55 9.301 -4.893 10.477 1.00 0.00 H new ATOM 0 HA ASN A 55 9.923 -7.021 12.444 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.061 -7.252 11.372 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.844 -7.334 10.114 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.967 -4.504 8.345 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.794 -5.818 8.484 1.00 0.00 H new ATOM 841 N MET A 56 10.090 -4.056 12.989 1.00 0.00 N ATOM 842 CA MET A 56 10.544 -2.971 13.851 1.00 0.00 C ATOM 843 C MET A 56 10.106 -3.203 15.294 1.00 0.00 C ATOM 844 O MET A 56 9.134 -3.908 15.566 1.00 0.00 O ATOM 845 CB MET A 56 10.001 -1.631 13.350 1.00 0.00 C ATOM 846 CG MET A 56 8.529 -1.675 12.973 1.00 0.00 C ATOM 847 SD MET A 56 7.861 -0.044 12.591 1.00 0.00 S ATOM 848 CE MET A 56 8.567 0.930 13.919 1.00 0.00 C ATOM 0 H MET A 56 9.157 -3.922 12.598 1.00 0.00 H new ATOM 0 HA MET A 56 11.633 -2.948 13.820 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.147 -0.877 14.123 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.581 -1.315 12.483 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.398 -2.328 12.110 1.00 0.00 H new ATOM 0 HG3 MET A 56 7.961 -2.113 13.793 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.961 1.822 14.078 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.588 0.337 14.834 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.583 1.224 13.654 1.00 0.00 H new ATOM 858 N PRO A 57 10.838 -2.598 16.241 1.00 0.00 N ATOM 859 CA PRO A 57 10.543 -2.724 17.671 1.00 0.00 C ATOM 860 C PRO A 57 9.258 -2.002 18.064 1.00 0.00 C ATOM 861 O PRO A 57 9.034 -0.856 17.673 1.00 0.00 O ATOM 862 CB PRO A 57 11.752 -2.068 18.342 1.00 0.00 C ATOM 863 CG PRO A 57 12.276 -1.113 17.327 1.00 0.00 C ATOM 864 CD PRO A 57 12.010 -1.743 15.988 1.00 0.00 C ATOM 0 HA PRO A 57 10.387 -3.762 17.965 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.465 -1.553 19.259 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.504 -2.809 18.614 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.780 -0.146 17.409 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.342 -0.937 17.471 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.803 -0.993 15.225 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.864 -2.324 15.640 1.00 0.00 H new ATOM 872 N LYS A 58 8.418 -2.678 18.840 1.00 0.00 N ATOM 873 CA LYS A 58 7.157 -2.101 19.288 1.00 0.00 C ATOM 874 C LYS A 58 7.399 -0.871 20.156 1.00 0.00 C ATOM 875 O LYS A 58 8.090 -0.926 21.174 1.00 0.00 O ATOM 876 CB LYS A 58 6.347 -3.138 20.069 1.00 0.00 C ATOM 877 CG LYS A 58 4.885 -2.764 20.241 1.00 0.00 C ATOM 878 CD LYS A 58 4.027 -3.985 20.530 1.00 0.00 C ATOM 879 CE LYS A 58 2.551 -3.626 20.599 1.00 0.00 C ATOM 880 NZ LYS A 58 1.725 -4.765 21.088 1.00 0.00 N ATOM 0 H LYS A 58 8.588 -3.627 19.172 1.00 0.00 H new ATOM 0 HA LYS A 58 6.593 -1.796 18.407 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.410 -4.098 19.556 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.797 -3.273 21.053 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.785 -2.047 21.056 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.526 -2.271 19.337 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.184 -4.734 19.753 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.338 -4.434 21.473 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.416 -2.770 21.260 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.204 -3.324 19.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.725 -4.480 21.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.833 -5.574 20.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.039 -5.037 22.041 1.00 0.00 H new ATOM 894 N PRO A 59 6.818 0.267 19.748 1.00 0.00 N ATOM 895 CA PRO A 59 6.955 1.532 20.475 1.00 0.00 C ATOM 896 C PRO A 59 6.215 1.517 21.808 1.00 0.00 C ATOM 897 O PRO A 59 5.412 0.623 22.074 1.00 0.00 O ATOM 898 CB PRO A 59 6.329 2.557 19.527 1.00 0.00 C ATOM 899 CG PRO A 59 5.371 1.771 18.699 1.00 0.00 C ATOM 900 CD PRO A 59 5.981 0.406 18.544 1.00 0.00 C ATOM 0 HA PRO A 59 7.993 1.746 20.729 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.820 3.347 20.079 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.086 3.038 18.907 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.396 1.710 19.182 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.217 2.242 17.728 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.219 -0.371 18.493 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.573 0.332 17.632 1.00 0.00 H new ATOM 908 N GLY A 60 6.490 2.514 22.644 1.00 0.00 N ATOM 909 CA GLY A 60 5.841 2.597 23.939 1.00 0.00 C ATOM 910 C GLY A 60 4.491 3.283 23.869 1.00 0.00 C ATOM 911 O GLY A 60 4.262 4.131 23.007 1.00 0.00 O ATOM 0 H GLY A 60 7.151 3.266 22.447 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.714 1.593 24.343 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.485 3.140 24.631 1.00 0.00 H new ATOM 915 N VAL A 61 3.594 2.916 24.778 1.00 0.00 N ATOM 916 CA VAL A 61 2.259 3.502 24.816 1.00 0.00 C ATOM 917 C VAL A 61 2.323 5.021 24.711 1.00 0.00 C ATOM 918 O VAL A 61 1.571 5.634 23.952 1.00 0.00 O ATOM 919 CB VAL A 61 1.514 3.118 26.108 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.030 1.678 26.038 1.00 0.00 C ATOM 921 CG2 VAL A 61 2.407 3.331 27.321 1.00 0.00 C ATOM 0 H VAL A 61 3.767 2.215 25.499 1.00 0.00 H new ATOM 0 HA VAL A 61 1.714 3.104 23.960 1.00 0.00 H new ATOM 0 HB VAL A 61 0.642 3.764 26.210 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.506 1.425 26.960 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.352 1.563 25.192 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.884 1.013 25.912 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.865 3.055 28.225 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.299 2.711 27.229 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.698 4.380 27.379 1.00 0.00 H new ATOM 931 N PHE A 62 3.226 5.624 25.477 1.00 0.00 N ATOM 932 CA PHE A 62 3.388 7.073 25.471 1.00 0.00 C ATOM 933 C PHE A 62 3.504 7.602 24.044 1.00 0.00 C ATOM 934 O PHE A 62 3.072 8.715 23.746 1.00 0.00 O ATOM 935 CB PHE A 62 4.626 7.472 26.277 1.00 0.00 C ATOM 936 CG PHE A 62 4.365 7.608 27.750 1.00 0.00 C ATOM 937 CD1 PHE A 62 3.832 6.552 28.472 1.00 0.00 C ATOM 938 CD2 PHE A 62 4.651 8.791 28.412 1.00 0.00 C ATOM 939 CE1 PHE A 62 3.591 6.673 29.828 1.00 0.00 C ATOM 940 CE2 PHE A 62 4.412 8.918 29.767 1.00 0.00 C ATOM 941 CZ PHE A 62 3.880 7.858 30.476 1.00 0.00 C ATOM 0 H PHE A 62 3.857 5.132 26.110 1.00 0.00 H new ATOM 0 HA PHE A 62 2.504 7.514 25.932 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.406 6.727 26.122 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.009 8.419 25.895 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.602 5.624 27.970 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.065 9.623 27.863 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.177 5.842 30.380 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.641 9.845 30.272 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.691 7.956 31.535 1.00 0.00 H new ATOM 951 N ASP A 63 4.091 6.795 23.167 1.00 0.00 N ATOM 952 CA ASP A 63 4.264 7.180 21.771 1.00 0.00 C ATOM 953 C ASP A 63 3.071 6.732 20.932 1.00 0.00 C ATOM 954 O ASP A 63 3.145 5.738 20.208 1.00 0.00 O ATOM 955 CB ASP A 63 5.553 6.577 21.210 1.00 0.00 C ATOM 956 CG ASP A 63 6.755 7.474 21.429 1.00 0.00 C ATOM 957 OD1 ASP A 63 6.889 8.026 22.541 1.00 0.00 O ATOM 958 OD2 ASP A 63 7.563 7.624 20.488 1.00 0.00 O ATOM 0 H ASP A 63 4.455 5.871 23.398 1.00 0.00 H new ATOM 0 HA ASP A 63 4.330 8.267 21.725 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.734 5.611 21.681 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.430 6.393 20.143 1.00 0.00 H new ATOM 963 N LEU A 64 1.972 7.471 21.035 1.00 0.00 N ATOM 964 CA LEU A 64 0.762 7.151 20.286 1.00 0.00 C ATOM 965 C LEU A 64 1.005 7.262 18.784 1.00 0.00 C ATOM 966 O LEU A 64 0.481 6.470 18.000 1.00 0.00 O ATOM 967 CB LEU A 64 -0.379 8.082 20.700 1.00 0.00 C ATOM 968 CG LEU A 64 -0.650 8.186 22.201 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.696 9.253 22.482 1.00 0.00 C ATOM 970 CD2 LEU A 64 -1.095 6.841 22.757 1.00 0.00 C ATOM 0 H LEU A 64 1.894 8.296 21.630 1.00 0.00 H new ATOM 0 HA LEU A 64 0.484 6.122 20.515 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.162 9.080 20.320 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.292 7.745 20.209 1.00 0.00 H new ATOM 0 HG LEU A 64 0.276 8.474 22.699 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.876 9.313 23.555 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.339 10.217 22.120 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.624 8.995 21.972 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.283 6.934 23.827 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.008 6.523 22.254 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.312 6.101 22.589 1.00 0.00 H new ATOM 982 N ILE A 65 1.804 8.248 18.391 1.00 0.00 N ATOM 983 CA ILE A 65 2.119 8.460 16.984 1.00 0.00 C ATOM 984 C ILE A 65 2.745 7.214 16.367 1.00 0.00 C ATOM 985 O ILE A 65 2.230 6.665 15.394 1.00 0.00 O ATOM 986 CB ILE A 65 3.078 9.650 16.794 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.491 10.912 17.428 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.359 9.874 15.316 1.00 0.00 C ATOM 989 CD1 ILE A 65 1.432 11.579 16.578 1.00 0.00 C ATOM 0 H ILE A 65 2.245 8.912 19.027 1.00 0.00 H new ATOM 0 HA ILE A 65 1.178 8.679 16.480 1.00 0.00 H new ATOM 0 HB ILE A 65 4.020 9.421 17.291 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.060 10.656 18.396 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.296 11.623 17.615 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.038 10.718 15.199 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.816 8.979 14.893 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.425 10.085 14.796 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.061 12.467 17.090 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.863 11.867 15.619 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.608 10.885 16.412 1.00 0.00 H new ATOM 1001 N ASN A 66 3.859 6.772 16.941 1.00 0.00 N ATOM 1002 CA ASN A 66 4.556 5.589 16.448 1.00 0.00 C ATOM 1003 C ASN A 66 3.696 4.340 16.621 1.00 0.00 C ATOM 1004 O ASN A 66 3.593 3.513 15.714 1.00 0.00 O ATOM 1005 CB ASN A 66 5.886 5.411 17.184 1.00 0.00 C ATOM 1006 CG ASN A 66 6.925 6.429 16.753 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.849 6.110 16.005 1.00 0.00 O ATOM 1008 ND2 ASN A 66 6.777 7.661 17.224 1.00 0.00 N ATOM 0 H ASN A 66 4.299 7.215 17.748 1.00 0.00 H new ATOM 0 HA ASN A 66 4.752 5.730 15.385 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.719 5.498 18.258 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.268 4.406 17.002 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.445 8.388 16.968 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.995 7.880 17.842 1.00 0.00 H new ATOM 1015 N LYS A 67 3.080 4.210 17.791 1.00 0.00 N ATOM 1016 CA LYS A 67 2.227 3.064 18.083 1.00 0.00 C ATOM 1017 C LYS A 67 1.128 2.922 17.035 1.00 0.00 C ATOM 1018 O LYS A 67 0.771 1.811 16.644 1.00 0.00 O ATOM 1019 CB LYS A 67 1.605 3.207 19.474 1.00 0.00 C ATOM 1020 CG LYS A 67 1.144 1.890 20.073 1.00 0.00 C ATOM 1021 CD LYS A 67 2.321 0.988 20.406 1.00 0.00 C ATOM 1022 CE LYS A 67 1.940 -0.071 21.430 1.00 0.00 C ATOM 1023 NZ LYS A 67 0.777 -0.884 20.980 1.00 0.00 N ATOM 0 H LYS A 67 3.156 4.884 18.553 1.00 0.00 H new ATOM 0 HA LYS A 67 2.845 2.167 18.058 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.333 3.665 20.143 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.755 3.887 19.414 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.565 2.083 20.976 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.482 1.382 19.372 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.679 0.505 19.497 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.144 1.590 20.792 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.793 -0.726 21.610 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.702 0.410 22.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.623 -1.668 21.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.073 -0.285 20.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.968 -1.268 20.032 1.00 0.00 H new ATOM 1037 N ALA A 68 0.597 4.054 16.584 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.459 4.055 15.579 1.00 0.00 C ATOM 1039 C ALA A 68 0.001 3.364 14.300 1.00 0.00 C ATOM 1040 O ALA A 68 -0.721 2.547 13.728 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.903 5.479 15.282 1.00 0.00 C ATOM 0 H ALA A 68 0.881 4.982 16.899 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.307 3.498 15.977 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.692 5.465 14.530 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.280 5.940 16.195 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.056 6.054 14.908 1.00 0.00 H new ATOM 1047 N LYS A 69 1.207 3.698 13.853 1.00 0.00 N ATOM 1048 CA LYS A 69 1.765 3.110 12.641 1.00 0.00 C ATOM 1049 C LYS A 69 2.149 1.652 12.871 1.00 0.00 C ATOM 1050 O LYS A 69 1.812 0.778 12.071 1.00 0.00 O ATOM 1051 CB LYS A 69 2.989 3.905 12.181 1.00 0.00 C ATOM 1052 CG LYS A 69 2.654 5.041 11.230 1.00 0.00 C ATOM 1053 CD LYS A 69 3.693 6.148 11.295 1.00 0.00 C ATOM 1054 CE LYS A 69 3.363 7.280 10.335 1.00 0.00 C ATOM 1055 NZ LYS A 69 3.963 7.059 8.990 1.00 0.00 N ATOM 0 H LYS A 69 1.817 4.374 14.313 1.00 0.00 H new ATOM 0 HA LYS A 69 1.002 3.148 11.864 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.497 4.312 13.055 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.689 3.228 11.692 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.593 4.658 10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.673 5.447 11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.749 6.537 12.312 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.675 5.741 11.055 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.281 7.371 10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.728 8.222 10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.451 7.626 8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.963 7.345 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.895 6.052 8.741 1.00 0.00 H new ATOM 1069 N TRP A 70 2.854 1.396 13.967 1.00 0.00 N ATOM 1070 CA TRP A 70 3.283 0.043 14.301 1.00 0.00 C ATOM 1071 C TRP A 70 2.111 -0.930 14.239 1.00 0.00 C ATOM 1072 O TRP A 70 2.267 -2.077 13.819 1.00 0.00 O ATOM 1073 CB TRP A 70 3.911 0.015 15.696 1.00 0.00 C ATOM 1074 CG TRP A 70 4.784 -1.180 15.931 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.122 -1.280 15.680 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.378 -2.447 16.461 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.573 -2.532 16.022 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.523 -3.266 16.504 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.159 -2.968 16.904 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.482 -4.577 16.973 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.121 -4.269 17.369 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.276 -5.061 17.401 1.00 0.00 C ATOM 0 H TRP A 70 3.141 2.107 14.639 1.00 0.00 H new ATOM 0 HA TRP A 70 4.028 -0.267 13.568 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.501 0.920 15.839 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.118 0.029 16.444 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.736 -0.491 15.272 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.534 -2.861 15.931 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.263 -2.365 16.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.371 -5.190 16.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.185 -4.682 17.714 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.213 -6.074 17.771 1.00 0.00 H new ATOM 1093 N ASP A 71 0.939 -0.466 14.657 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.260 -1.296 14.647 1.00 0.00 C ATOM 1095 C ASP A 71 -0.829 -1.412 13.236 1.00 0.00 C ATOM 1096 O ASP A 71 -1.571 -2.345 12.930 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.316 -0.716 15.590 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.166 -1.224 17.010 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.106 -0.972 17.621 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -2.107 -1.875 17.511 1.00 0.00 O ATOM 0 H ASP A 71 0.793 0.481 15.007 1.00 0.00 H new ATOM 0 HA ASP A 71 0.015 -2.293 14.992 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.244 0.372 15.587 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.309 -0.970 15.219 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.476 -0.457 12.381 1.00 0.00 N ATOM 1106 CA ALA A 72 -0.950 -0.453 11.003 1.00 0.00 C ATOM 1107 C ALA A 72 -0.088 -1.351 10.123 1.00 0.00 C ATOM 1108 O ALA A 72 -0.600 -2.081 9.275 1.00 0.00 O ATOM 1109 CB ALA A 72 -0.968 0.966 10.456 1.00 0.00 C ATOM 0 H ALA A 72 0.136 0.323 12.619 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.966 -0.847 10.993 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.324 0.954 9.426 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.632 1.581 11.063 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.040 1.381 10.487 1.00 0.00 H new ATOM 1115 N TRP A 73 1.223 -1.291 10.330 1.00 0.00 N ATOM 1116 CA TRP A 73 2.157 -2.099 9.554 1.00 0.00 C ATOM 1117 C TRP A 73 2.245 -3.515 10.111 1.00 0.00 C ATOM 1118 O TRP A 73 2.484 -4.469 9.372 1.00 0.00 O ATOM 1119 CB TRP A 73 3.543 -1.451 9.551 1.00 0.00 C ATOM 1120 CG TRP A 73 4.546 -2.200 8.726 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.286 -3.172 7.803 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.968 -2.038 8.752 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.462 -3.624 7.253 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.508 -2.944 7.818 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.838 -1.214 9.471 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.877 -3.048 7.588 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.197 -1.319 9.242 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.706 -2.230 8.306 1.00 0.00 C ATOM 0 H TRP A 73 1.663 -0.692 11.028 1.00 0.00 H new ATOM 0 HA TRP A 73 1.787 -2.154 8.530 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.459 -0.432 9.172 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.906 -1.381 10.576 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.302 -3.533 7.543 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.543 -4.349 6.540 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.455 -0.508 10.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.271 -3.750 6.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.878 -0.688 9.794 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.773 -2.287 8.149 1.00 0.00 H new ATOM 1139 N ASN A 74 2.050 -3.645 11.420 1.00 0.00 N ATOM 1140 CA ASN A 74 2.109 -4.946 12.076 1.00 0.00 C ATOM 1141 C ASN A 74 0.907 -5.803 11.691 1.00 0.00 C ATOM 1142 O ASN A 74 1.043 -6.996 11.420 1.00 0.00 O ATOM 1143 CB ASN A 74 2.160 -4.772 13.595 1.00 0.00 C ATOM 1144 CG ASN A 74 2.026 -6.091 14.332 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.597 -7.103 13.925 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.269 -6.084 15.423 1.00 0.00 N ATOM 0 H ASN A 74 1.850 -2.865 12.047 1.00 0.00 H new ATOM 0 HA ASN A 74 3.015 -5.452 11.745 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.101 -4.298 13.872 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.360 -4.101 13.908 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.142 -6.941 15.961 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.815 -5.221 15.723 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.270 -5.187 11.669 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.496 -5.892 11.315 1.00 0.00 C ATOM 1155 C ALA A 75 -1.306 -6.721 10.050 1.00 0.00 C ATOM 1156 O ALA A 75 -1.945 -7.760 9.874 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.640 -4.905 11.135 1.00 0.00 C ATOM 0 H ALA A 75 -0.401 -4.200 11.892 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.743 -6.572 12.130 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.549 -5.446 10.871 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.800 -4.359 12.065 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.392 -4.202 10.340 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.425 -6.257 9.171 1.00 0.00 N ATOM 1164 CA LEU A 76 -0.152 -6.957 7.920 1.00 0.00 C ATOM 1165 C LEU A 76 0.388 -8.358 8.187 1.00 0.00 C ATOM 1166 O LEU A 76 -0.092 -9.338 7.619 1.00 0.00 O ATOM 1167 CB LEU A 76 0.850 -6.164 7.078 1.00 0.00 C ATOM 1168 CG LEU A 76 0.272 -5.007 6.262 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.368 -5.523 4.983 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.738 -4.224 7.087 1.00 0.00 C ATOM 0 H LEU A 76 0.112 -5.400 9.301 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.089 -7.047 7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.618 -5.766 7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.345 -6.853 6.394 1.00 0.00 H new ATOM 0 HG LEU A 76 1.088 -4.336 5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.774 -4.685 4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.382 -6.038 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.172 -6.216 5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.139 -3.405 6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.551 -4.884 7.389 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.249 -3.821 7.974 1.00 0.00 H new ATOM 1182 N GLY A 77 1.390 -8.445 9.057 1.00 0.00 N ATOM 1183 CA GLY A 77 1.977 -9.731 9.385 1.00 0.00 C ATOM 1184 C GLY A 77 3.000 -10.180 8.360 1.00 0.00 C ATOM 1185 O GLY A 77 3.844 -9.394 7.929 1.00 0.00 O ATOM 0 H GLY A 77 1.805 -7.648 9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.451 -9.671 10.365 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.188 -10.479 9.458 1.00 0.00 H new ATOM 1189 N SER A 78 2.927 -11.448 7.970 1.00 0.00 N ATOM 1190 CA SER A 78 3.858 -12.003 6.993 1.00 0.00 C ATOM 1191 C SER A 78 3.397 -11.698 5.571 1.00 0.00 C ATOM 1192 O SER A 78 3.532 -12.528 4.671 1.00 0.00 O ATOM 1193 CB SER A 78 3.991 -13.514 7.185 1.00 0.00 C ATOM 1194 OG SER A 78 4.599 -13.819 8.429 1.00 0.00 O ATOM 0 H SER A 78 2.233 -12.111 8.315 1.00 0.00 H new ATOM 0 HA SER A 78 4.831 -11.538 7.149 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.006 -13.978 7.135 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.584 -13.936 6.374 1.00 0.00 H new ATOM 0 HG SER A 78 4.671 -14.791 8.528 1.00 0.00 H new ATOM 1200 N LEU A 79 2.853 -10.502 5.375 1.00 0.00 N ATOM 1201 CA LEU A 79 2.372 -10.086 4.063 1.00 0.00 C ATOM 1202 C LEU A 79 3.538 -9.803 3.120 1.00 0.00 C ATOM 1203 O LEU A 79 4.388 -8.952 3.383 1.00 0.00 O ATOM 1204 CB LEU A 79 1.492 -8.841 4.191 1.00 0.00 C ATOM 1205 CG LEU A 79 0.381 -8.695 3.151 1.00 0.00 C ATOM 1206 CD1 LEU A 79 0.965 -8.341 1.792 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.440 -9.973 3.063 1.00 0.00 C ATOM 0 H LEU A 79 2.734 -9.803 6.109 1.00 0.00 H new ATOM 0 HA LEU A 79 1.780 -10.901 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.037 -8.842 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.132 -7.961 4.135 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.278 -7.885 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.159 -8.241 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.508 -7.399 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.647 -9.129 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.226 -9.850 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.207 -10.802 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.890 -10.184 4.033 1.00 0.00 H new ATOM 1219 N PRO A 80 3.579 -10.531 1.995 1.00 0.00 N ATOM 1220 CA PRO A 80 4.634 -10.374 0.989 1.00 0.00 C ATOM 1221 C PRO A 80 4.531 -9.048 0.243 1.00 0.00 C ATOM 1222 O PRO A 80 3.498 -8.380 0.281 1.00 0.00 O ATOM 1223 CB PRO A 80 4.390 -11.545 0.033 1.00 0.00 C ATOM 1224 CG PRO A 80 2.941 -11.860 0.183 1.00 0.00 C ATOM 1225 CD PRO A 80 2.599 -11.563 1.617 1.00 0.00 C ATOM 0 HA PRO A 80 5.627 -10.372 1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.632 -11.274 -0.995 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.011 -12.403 0.291 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.338 -11.256 -0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.742 -12.904 -0.058 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.576 -11.202 1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.688 -12.451 2.243 1.00 0.00 H new ATOM 1233 N LYS A 81 5.610 -8.671 -0.435 1.00 0.00 N ATOM 1234 CA LYS A 81 5.642 -7.425 -1.192 1.00 0.00 C ATOM 1235 C LYS A 81 4.617 -7.448 -2.322 1.00 0.00 C ATOM 1236 O LYS A 81 3.897 -6.474 -2.537 1.00 0.00 O ATOM 1237 CB LYS A 81 7.042 -7.187 -1.763 1.00 0.00 C ATOM 1238 CG LYS A 81 8.144 -7.256 -0.721 1.00 0.00 C ATOM 1239 CD LYS A 81 8.382 -5.904 -0.070 1.00 0.00 C ATOM 1240 CE LYS A 81 9.559 -5.947 0.892 1.00 0.00 C ATOM 1241 NZ LYS A 81 9.572 -7.200 1.697 1.00 0.00 N ATOM 0 H LYS A 81 6.474 -9.211 -0.476 1.00 0.00 H new ATOM 0 HA LYS A 81 5.390 -6.610 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.240 -7.927 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.068 -6.209 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.878 -7.987 0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.066 -7.603 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.568 -5.156 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.485 -5.594 0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.490 -5.866 0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.514 -5.087 1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.082 -7.035 2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.595 -7.489 1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.048 -7.953 1.160 1.00 0.00 H new ATOM 1255 N GLU A 82 4.558 -8.567 -3.038 1.00 0.00 N ATOM 1256 CA GLU A 82 3.620 -8.715 -4.144 1.00 0.00 C ATOM 1257 C GLU A 82 2.221 -8.262 -3.737 1.00 0.00 C ATOM 1258 O GLU A 82 1.635 -7.381 -4.365 1.00 0.00 O ATOM 1259 CB GLU A 82 3.579 -10.170 -4.616 1.00 0.00 C ATOM 1260 CG GLU A 82 4.851 -10.619 -5.316 1.00 0.00 C ATOM 1261 CD GLU A 82 4.614 -11.767 -6.278 1.00 0.00 C ATOM 1262 OE1 GLU A 82 4.584 -12.928 -5.821 1.00 0.00 O ATOM 1263 OE2 GLU A 82 4.456 -11.503 -7.489 1.00 0.00 O ATOM 0 H GLU A 82 5.148 -9.383 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 82 3.963 -8.084 -4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.399 -10.817 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.736 -10.299 -5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.279 -9.777 -5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.585 -10.922 -4.569 1.00 0.00 H new ATOM 1270 N ALA A 83 1.692 -8.871 -2.681 1.00 0.00 N ATOM 1271 CA ALA A 83 0.364 -8.530 -2.188 1.00 0.00 C ATOM 1272 C ALA A 83 0.341 -7.124 -1.597 1.00 0.00 C ATOM 1273 O ALA A 83 -0.572 -6.344 -1.862 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.093 -9.547 -1.153 1.00 0.00 C ATOM 0 H ALA A 83 2.163 -9.603 -2.150 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.326 -8.552 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.087 -9.279 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.126 -10.538 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.606 -9.554 -0.316 1.00 0.00 H new ATOM 1280 N ALA A 84 1.353 -6.809 -0.794 1.00 0.00 N ATOM 1281 CA ALA A 84 1.449 -5.497 -0.166 1.00 0.00 C ATOM 1282 C ALA A 84 1.275 -4.383 -1.193 1.00 0.00 C ATOM 1283 O ALA A 84 0.760 -3.311 -0.877 1.00 0.00 O ATOM 1284 CB ALA A 84 2.783 -5.352 0.551 1.00 0.00 C ATOM 0 H ALA A 84 2.117 -7.444 -0.564 1.00 0.00 H new ATOM 0 HA ALA A 84 0.645 -5.411 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.841 -4.368 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.869 -6.121 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.596 -5.463 -0.167 1.00 0.00 H new ATOM 1290 N ARG A 85 1.707 -4.645 -2.422 1.00 0.00 N ATOM 1291 CA ARG A 85 1.600 -3.663 -3.494 1.00 0.00 C ATOM 1292 C ARG A 85 0.153 -3.517 -3.956 1.00 0.00 C ATOM 1293 O ARG A 85 -0.320 -2.409 -4.204 1.00 0.00 O ATOM 1294 CB ARG A 85 2.485 -4.067 -4.675 1.00 0.00 C ATOM 1295 CG ARG A 85 3.969 -3.862 -4.422 1.00 0.00 C ATOM 1296 CD ARG A 85 4.424 -2.480 -4.866 1.00 0.00 C ATOM 1297 NE ARG A 85 5.762 -2.161 -4.376 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.499 -1.162 -4.849 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.030 -0.389 -5.819 1.00 0.00 N ATOM 1300 NH2 ARG A 85 7.708 -0.934 -4.351 1.00 0.00 N ATOM 0 H ARG A 85 2.134 -5.529 -2.700 1.00 0.00 H new ATOM 0 HA ARG A 85 1.938 -2.702 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.307 -5.116 -4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.192 -3.490 -5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.180 -3.992 -3.360 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.539 -4.623 -4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.415 -2.428 -5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.718 -1.732 -4.505 1.00 0.00 H new ATOM 0 HE ARG A 85 6.152 -2.737 -3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.101 -0.561 -6.204 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.598 0.377 -6.180 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.072 -1.526 -3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.273 -0.167 -4.715 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.543 -4.644 -4.068 1.00 0.00 N ATOM 1315 CA GLN A 86 -1.936 -4.641 -4.501 1.00 0.00 C ATOM 1316 C GLN A 86 -2.842 -4.072 -3.414 1.00 0.00 C ATOM 1317 O GLN A 86 -3.704 -3.238 -3.686 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.382 -6.059 -4.863 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.485 -6.101 -5.908 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.688 -5.263 -5.521 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -5.224 -5.397 -4.420 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -5.119 -4.392 -6.425 1.00 0.00 N ATOM 0 H GLN A 86 -0.166 -5.570 -3.865 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.015 -4.006 -5.384 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.522 -6.619 -5.231 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.728 -6.564 -3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.091 -5.747 -6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.799 -7.134 -6.058 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.645 -4.314 -7.325 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.924 -3.801 -6.220 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.641 -4.531 -2.183 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.442 -4.068 -1.055 1.00 0.00 C ATOM 1333 C ASN A 87 -3.493 -2.544 -1.013 1.00 0.00 C ATOM 1334 O ASN A 87 -4.559 -1.952 -0.842 1.00 0.00 O ATOM 1335 CB ASN A 87 -2.870 -4.607 0.258 1.00 0.00 C ATOM 1336 CG ASN A 87 -2.858 -6.123 0.304 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -2.621 -6.784 -0.707 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -3.113 -6.680 1.482 1.00 0.00 N ATOM 0 H ASN A 87 -1.931 -5.222 -1.941 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.457 -4.444 -1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.854 -4.234 0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.459 -4.226 1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.118 -7.696 1.576 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.304 -6.092 2.293 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.334 -1.915 -1.170 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.245 -0.459 -1.149 1.00 0.00 C ATOM 1347 C TYR A 88 -3.141 0.157 -2.219 1.00 0.00 C ATOM 1348 O TYR A 88 -4.147 0.796 -1.910 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.797 -0.012 -1.361 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.583 1.468 -1.142 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.215 2.409 -1.946 1.00 0.00 C ATOM 1352 CD2 TYR A 88 0.252 1.927 -0.130 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -1.021 3.762 -1.750 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.451 3.279 0.074 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.187 4.192 -0.738 1.00 0.00 C ATOM 1356 OH TYR A 88 0.007 5.540 -0.539 1.00 0.00 O ATOM 0 H TYR A 88 -1.443 -2.390 -1.313 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.585 -0.114 -0.173 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.151 -0.569 -0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.491 -0.269 -2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.869 2.076 -2.738 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.754 1.215 0.508 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.519 4.480 -2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.103 3.619 0.865 1.00 0.00 H new ATOM 0 HH TYR A 88 0.621 5.675 0.213 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.768 -0.041 -3.479 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.538 0.493 -4.597 1.00 0.00 C ATOM 1368 C VAL A 89 -5.021 0.177 -4.444 1.00 0.00 C ATOM 1369 O VAL A 89 -5.876 1.028 -4.688 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.040 -0.071 -5.941 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.595 0.337 -6.189 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.189 -1.584 -5.972 1.00 0.00 C ATOM 0 H VAL A 89 -1.938 -0.567 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.398 1.574 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.652 0.347 -6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.260 -0.071 -7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.523 1.424 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.965 -0.050 -5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.832 -1.965 -6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.603 -2.024 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.239 -1.849 -5.844 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.319 -1.052 -4.037 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.700 -1.482 -3.850 1.00 0.00 C ATOM 1384 C ASP A 90 -7.456 -0.505 -2.954 1.00 0.00 C ATOM 1385 O ASP A 90 -8.639 -0.237 -3.169 1.00 0.00 O ATOM 1386 CB ASP A 90 -6.742 -2.886 -3.244 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.032 -3.615 -3.563 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -9.093 -2.958 -3.593 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -7.981 -4.844 -3.781 1.00 0.00 O ATOM 0 H ASP A 90 -4.623 -1.768 -3.830 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.184 -1.502 -4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.898 -3.466 -3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.626 -2.816 -2.163 1.00 0.00 H new ATOM 1394 N LEU A 91 -6.766 0.023 -1.949 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.372 0.970 -1.020 1.00 0.00 C ATOM 1396 C LEU A 91 -7.689 2.290 -1.716 1.00 0.00 C ATOM 1397 O LEU A 91 -8.852 2.673 -1.843 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.440 1.217 0.168 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.007 2.075 1.299 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.150 3.521 0.853 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.347 1.524 1.766 1.00 0.00 C ATOM 0 H LEU A 91 -5.787 -0.189 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.305 0.539 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.149 0.252 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.532 1.693 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.311 2.043 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.555 4.116 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.173 3.912 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.824 3.573 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.736 2.147 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.051 1.525 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.215 0.504 2.128 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.646 2.980 -2.166 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.813 4.255 -2.853 1.00 0.00 C ATOM 1415 C VAL A 92 -7.967 4.197 -3.848 1.00 0.00 C ATOM 1416 O VAL A 92 -8.700 5.171 -4.021 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.528 4.664 -3.597 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.759 5.932 -4.405 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.380 4.849 -2.616 1.00 0.00 C ATOM 0 H VAL A 92 -5.677 2.678 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.034 5.000 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.260 3.865 -4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.840 6.205 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.550 5.759 -5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.053 6.741 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.480 5.138 -3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.637 5.628 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.200 3.914 -2.086 1.00 0.00 H new ATOM 1429 N SER A 93 -8.122 3.049 -4.499 1.00 0.00 N ATOM 1430 CA SER A 93 -9.186 2.865 -5.480 1.00 0.00 C ATOM 1431 C SER A 93 -10.549 2.802 -4.797 1.00 0.00 C ATOM 1432 O SER A 93 -11.552 3.256 -5.347 1.00 0.00 O ATOM 1433 CB SER A 93 -8.947 1.588 -6.287 1.00 0.00 C ATOM 1434 OG SER A 93 -9.607 1.646 -7.540 1.00 0.00 O ATOM 0 H SER A 93 -7.525 2.233 -4.365 1.00 0.00 H new ATOM 0 HA SER A 93 -9.177 3.720 -6.156 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.877 1.447 -6.442 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.304 0.726 -5.724 1.00 0.00 H new ATOM 0 HG SER A 93 -9.438 0.819 -8.038 1.00 0.00 H new ATOM 1440 N SER A 94 -10.576 2.234 -3.595 1.00 0.00 N ATOM 1441 CA SER A 94 -11.816 2.108 -2.838 1.00 0.00 C ATOM 1442 C SER A 94 -12.368 3.480 -2.466 1.00 0.00 C ATOM 1443 O SER A 94 -13.576 3.715 -2.531 1.00 0.00 O ATOM 1444 CB SER A 94 -11.583 1.279 -1.573 1.00 0.00 C ATOM 1445 OG SER A 94 -12.801 0.751 -1.078 1.00 0.00 O ATOM 0 H SER A 94 -9.754 1.854 -3.125 1.00 0.00 H new ATOM 0 HA SER A 94 -12.547 1.601 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.892 0.465 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.115 1.899 -0.809 1.00 0.00 H new ATOM 0 HG SER A 94 -12.625 0.224 -0.271 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.476 4.384 -2.076 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.873 5.734 -1.693 1.00 0.00 C ATOM 1453 C LEU A 95 -12.529 6.461 -2.862 1.00 0.00 C ATOM 1454 O LEU A 95 -13.551 7.128 -2.696 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.657 6.524 -1.204 1.00 0.00 C ATOM 1456 CG LEU A 95 -10.009 6.027 0.089 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.623 6.630 0.258 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.887 6.359 1.287 1.00 0.00 C ATOM 0 H LEU A 95 -10.473 4.206 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.599 5.657 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.903 6.516 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.957 7.562 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.906 4.944 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.178 6.265 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.995 6.342 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.701 7.716 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.411 5.998 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.022 7.439 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.858 5.878 1.171 1.00 0.00 H new