USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 75 GLN : amide:sc= -0.968 K(o=-1.4,f=-2.5) USER MOD Set 1.2: A 76 ASN : amide:sc= -0.151 X(o=-1.4,f=-1.5) USER MOD Set 1.3: A 79 GLN : amide:sc= -0.322 K(o=-1.4,f=-2.5!) USER MOD Single : A 22 MET CE :methyl -156:sc= -0.231 (180deg=-0.998) USER MOD Single : A 24 LYS NZ :NH3+ -119:sc= 1.15 (180deg=-0.117) USER MOD Single : A 29 THR OG1 : rot -78:sc= 1.16 USER MOD Single : A 34 THR OG1 : rot 109:sc= 0.626 USER MOD Single : A 36 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.29) USER MOD Single : A 44 TYR OH : rot 48:sc= -0.888 USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= -1.11! (180deg=-4.89!) USER MOD Single : A 53 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.24) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.47) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 135:sc= -4.25! USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.941 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc=-0.00223 USER MOD Single : A 69 THR OG1 : rot 76:sc= 0.614 USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= -0.0433 (180deg=-0.265) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 77 MET CE :methyl 163:sc= -0.131 (180deg=-1.16) USER MOD Single : A 81 TYR OH : rot 30:sc= 0.26 USER MOD Single : A 90 GLN : amide:sc= -0.591 X(o=-0.59,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 241 N ASP A 17 4.915 14.292 8.750 1.00 21.13 N ATOM 242 CA ASP A 17 4.027 13.114 8.751 1.00 73.40 C ATOM 243 C ASP A 17 2.711 13.421 7.991 1.00 11.34 C ATOM 244 O ASP A 17 1.842 12.569 7.916 1.00 61.11 O ATOM 245 CB ASP A 17 3.748 12.698 10.238 1.00 54.20 C ATOM 246 CG ASP A 17 2.943 11.388 10.402 1.00 52.02 C ATOM 247 OD1 ASP A 17 3.507 10.302 10.155 1.00 0.43 O ATOM 248 OD2 ASP A 17 1.748 11.431 10.780 1.00 23.12 O ATOM 0 HA ASP A 17 4.509 12.285 8.233 1.00 73.40 H new ATOM 0 HB2 ASP A 17 4.701 12.590 10.756 1.00 54.20 H new ATOM 0 HB3 ASP A 17 3.207 13.505 10.731 1.00 54.20 H new ATOM 253 N GLY A 18 2.591 14.642 7.403 1.00 24.42 N ATOM 254 CA GLY A 18 1.336 15.109 6.786 1.00 62.43 C ATOM 255 C GLY A 18 0.860 14.243 5.616 1.00 75.32 C ATOM 256 O GLY A 18 -0.271 13.731 5.639 1.00 53.21 O ATOM 0 H GLY A 18 3.355 15.316 7.348 1.00 24.42 H new ATOM 0 HA2 GLY A 18 0.556 15.135 7.547 1.00 62.43 H new ATOM 0 HA3 GLY A 18 1.473 16.132 6.436 1.00 62.43 H new ATOM 260 N VAL A 19 1.717 14.080 4.581 1.00 45.12 N ATOM 261 CA VAL A 19 1.414 13.206 3.421 1.00 65.14 C ATOM 262 C VAL A 19 1.314 11.737 3.881 1.00 33.23 C ATOM 263 O VAL A 19 0.430 11.005 3.440 1.00 24.15 O ATOM 264 CB VAL A 19 2.488 13.341 2.273 1.00 64.32 C ATOM 265 CG1 VAL A 19 2.167 12.409 1.078 1.00 3.22 C ATOM 266 CG2 VAL A 19 2.615 14.806 1.803 1.00 61.33 C ATOM 0 H VAL A 19 2.625 14.542 4.525 1.00 45.12 H new ATOM 0 HA VAL A 19 0.458 13.530 3.010 1.00 65.14 H new ATOM 0 HB VAL A 19 3.447 13.029 2.688 1.00 64.32 H new ATOM 0 HG11 VAL A 19 2.928 12.530 0.307 1.00 3.22 H new ATOM 0 HG12 VAL A 19 2.155 11.373 1.417 1.00 3.22 H new ATOM 0 HG13 VAL A 19 1.191 12.667 0.667 1.00 3.22 H new ATOM 0 HG21 VAL A 19 3.362 14.871 1.012 1.00 61.33 H new ATOM 0 HG22 VAL A 19 1.653 15.151 1.424 1.00 61.33 H new ATOM 0 HG23 VAL A 19 2.920 15.432 2.642 1.00 61.33 H new ATOM 276 N VAL A 20 2.205 11.353 4.809 1.00 33.44 N ATOM 277 CA VAL A 20 2.253 9.998 5.396 1.00 55.41 C ATOM 278 C VAL A 20 0.896 9.645 6.058 1.00 13.22 C ATOM 279 O VAL A 20 0.395 8.533 5.903 1.00 74.14 O ATOM 280 CB VAL A 20 3.438 9.883 6.442 1.00 53.14 C ATOM 281 CG1 VAL A 20 3.523 8.479 7.084 1.00 1.15 C ATOM 282 CG2 VAL A 20 4.789 10.270 5.789 1.00 25.40 C ATOM 0 H VAL A 20 2.921 11.978 5.179 1.00 33.44 H new ATOM 0 HA VAL A 20 2.439 9.282 4.595 1.00 55.41 H new ATOM 0 HB VAL A 20 3.222 10.589 7.244 1.00 53.14 H new ATOM 0 HG11 VAL A 20 4.351 8.453 7.793 1.00 1.15 H new ATOM 0 HG12 VAL A 20 2.591 8.261 7.606 1.00 1.15 H new ATOM 0 HG13 VAL A 20 3.687 7.733 6.307 1.00 1.15 H new ATOM 0 HG21 VAL A 20 5.587 10.183 6.526 1.00 25.40 H new ATOM 0 HG22 VAL A 20 4.993 9.602 4.952 1.00 25.40 H new ATOM 0 HG23 VAL A 20 4.738 11.297 5.429 1.00 25.40 H new ATOM 292 N ALA A 21 0.285 10.655 6.713 1.00 60.24 N ATOM 293 CA ALA A 21 -0.956 10.508 7.499 1.00 10.10 C ATOM 294 C ALA A 21 -2.157 10.135 6.617 1.00 14.11 C ATOM 295 O ALA A 21 -2.938 9.243 6.968 1.00 24.44 O ATOM 296 CB ALA A 21 -1.240 11.790 8.299 1.00 72.31 C ATOM 0 H ALA A 21 0.646 11.609 6.710 1.00 60.24 H new ATOM 0 HA ALA A 21 -0.806 9.685 8.198 1.00 10.10 H new ATOM 0 HB1 ALA A 21 -2.158 11.665 8.873 1.00 72.31 H new ATOM 0 HB2 ALA A 21 -0.411 11.986 8.979 1.00 72.31 H new ATOM 0 HB3 ALA A 21 -1.352 12.630 7.613 1.00 72.31 H new ATOM 302 N MET A 22 -2.300 10.808 5.465 1.00 73.04 N ATOM 303 CA MET A 22 -3.413 10.539 4.534 1.00 23.24 C ATOM 304 C MET A 22 -3.214 9.193 3.799 1.00 11.13 C ATOM 305 O MET A 22 -4.188 8.548 3.414 1.00 15.24 O ATOM 306 CB MET A 22 -3.614 11.705 3.536 1.00 52.05 C ATOM 307 CG MET A 22 -2.440 11.979 2.591 1.00 21.44 C ATOM 308 SD MET A 22 -2.816 13.255 1.370 1.00 22.13 S ATOM 309 CE MET A 22 -4.232 12.535 0.530 1.00 62.11 C ATOM 0 H MET A 22 -1.662 11.541 5.154 1.00 73.04 H new ATOM 0 HA MET A 22 -4.325 10.460 5.126 1.00 23.24 H new ATOM 0 HB2 MET A 22 -4.499 11.496 2.935 1.00 52.05 H new ATOM 0 HB3 MET A 22 -3.820 12.613 4.103 1.00 52.05 H new ATOM 0 HG2 MET A 22 -1.572 12.284 3.175 1.00 21.44 H new ATOM 0 HG3 MET A 22 -2.170 11.057 2.076 1.00 21.44 H new ATOM 0 HE1 MET A 22 -4.313 12.956 -0.472 1.00 62.11 H new ATOM 0 HE2 MET A 22 -4.103 11.455 0.461 1.00 62.11 H new ATOM 0 HE3 MET A 22 -5.140 12.757 1.091 1.00 62.11 H new ATOM 319 N ILE A 23 -1.946 8.760 3.633 1.00 62.20 N ATOM 320 CA ILE A 23 -1.638 7.422 3.081 1.00 53.11 C ATOM 321 C ILE A 23 -2.126 6.334 4.069 1.00 32.04 C ATOM 322 O ILE A 23 -2.704 5.339 3.641 1.00 41.11 O ATOM 323 CB ILE A 23 -0.103 7.236 2.755 1.00 74.32 C ATOM 324 CG1 ILE A 23 0.390 8.332 1.764 1.00 4.52 C ATOM 325 CG2 ILE A 23 0.186 5.824 2.185 1.00 52.43 C ATOM 326 CD1 ILE A 23 1.876 8.301 1.418 1.00 25.22 C ATOM 0 H ILE A 23 -1.123 9.313 3.872 1.00 62.20 H new ATOM 0 HA ILE A 23 -2.166 7.323 2.133 1.00 53.11 H new ATOM 0 HB ILE A 23 0.446 7.341 3.691 1.00 74.32 H new ATOM 0 HG12 ILE A 23 -0.180 8.241 0.839 1.00 4.52 H new ATOM 0 HG13 ILE A 23 0.156 9.309 2.188 1.00 4.52 H new ATOM 0 HG21 ILE A 23 1.251 5.729 1.971 1.00 52.43 H new ATOM 0 HG22 ILE A 23 -0.106 5.070 2.916 1.00 52.43 H new ATOM 0 HG23 ILE A 23 -0.383 5.679 1.267 1.00 52.43 H new ATOM 0 HD11 ILE A 23 2.104 9.108 0.722 1.00 25.22 H new ATOM 0 HD12 ILE A 23 2.464 8.429 2.327 1.00 25.22 H new ATOM 0 HD13 ILE A 23 2.123 7.344 0.958 1.00 25.22 H new ATOM 338 N LYS A 24 -1.935 6.581 5.395 1.00 30.32 N ATOM 339 CA LYS A 24 -2.385 5.657 6.477 1.00 14.54 C ATOM 340 C LYS A 24 -3.873 5.297 6.329 1.00 13.21 C ATOM 341 O LYS A 24 -4.238 4.121 6.419 1.00 24.13 O ATOM 342 CB LYS A 24 -2.174 6.282 7.887 1.00 70.23 C ATOM 343 CG LYS A 24 -0.731 6.689 8.212 1.00 24.14 C ATOM 344 CD LYS A 24 -0.603 7.397 9.581 1.00 51.44 C ATOM 345 CE LYS A 24 0.794 7.988 9.798 1.00 42.15 C ATOM 346 NZ LYS A 24 0.891 8.749 11.071 1.00 43.12 N ATOM 0 H LYS A 24 -1.469 7.419 5.743 1.00 30.32 H new ATOM 0 HA LYS A 24 -1.778 4.757 6.380 1.00 14.54 H new ATOM 0 HB2 LYS A 24 -2.811 7.162 7.976 1.00 70.23 H new ATOM 0 HB3 LYS A 24 -2.511 5.567 8.638 1.00 70.23 H new ATOM 0 HG2 LYS A 24 -0.098 5.802 8.206 1.00 24.14 H new ATOM 0 HG3 LYS A 24 -0.360 7.351 7.429 1.00 24.14 H new ATOM 0 HD2 LYS A 24 -1.346 8.191 9.648 1.00 51.44 H new ATOM 0 HD3 LYS A 24 -0.823 6.686 10.378 1.00 51.44 H new ATOM 0 HE2 LYS A 24 1.530 7.184 9.800 1.00 42.15 H new ATOM 0 HE3 LYS A 24 1.042 8.645 8.964 1.00 42.15 H new ATOM 0 HZ1 LYS A 24 1.130 9.740 10.866 1.00 43.12 H new ATOM 0 HZ2 LYS A 24 -0.021 8.709 11.570 1.00 43.12 H new ATOM 0 HZ3 LYS A 24 1.632 8.331 11.670 1.00 43.12 H new ATOM 360 N GLU A 25 -4.717 6.326 6.083 1.00 41.54 N ATOM 361 CA GLU A 25 -6.169 6.136 5.992 1.00 63.42 C ATOM 362 C GLU A 25 -6.516 5.414 4.676 1.00 43.20 C ATOM 363 O GLU A 25 -7.237 4.436 4.709 1.00 20.34 O ATOM 364 CB GLU A 25 -6.955 7.477 6.142 1.00 13.32 C ATOM 365 CG GLU A 25 -6.962 8.403 4.914 1.00 32.30 C ATOM 366 CD GLU A 25 -7.687 9.737 5.150 1.00 52.11 C ATOM 367 OE1 GLU A 25 -7.048 10.690 5.655 1.00 1.04 O ATOM 368 OE2 GLU A 25 -8.901 9.840 4.858 1.00 11.41 O ATOM 0 H GLU A 25 -4.411 7.289 5.946 1.00 41.54 H new ATOM 0 HA GLU A 25 -6.483 5.512 6.829 1.00 63.42 H new ATOM 0 HB2 GLU A 25 -7.988 7.241 6.399 1.00 13.32 H new ATOM 0 HB3 GLU A 25 -6.535 8.028 6.984 1.00 13.32 H new ATOM 0 HG2 GLU A 25 -5.933 8.606 4.618 1.00 32.30 H new ATOM 0 HG3 GLU A 25 -7.437 7.884 4.081 1.00 32.30 H new ATOM 375 N LEU A 26 -5.921 5.858 3.533 1.00 4.03 N ATOM 376 CA LEU A 26 -6.224 5.304 2.190 1.00 75.03 C ATOM 377 C LEU A 26 -5.897 3.797 2.111 1.00 75.02 C ATOM 378 O LEU A 26 -6.569 3.044 1.402 1.00 45.21 O ATOM 379 CB LEU A 26 -5.461 6.094 1.091 1.00 61.34 C ATOM 380 CG LEU A 26 -5.885 7.584 0.909 1.00 31.21 C ATOM 381 CD1 LEU A 26 -5.000 8.290 -0.131 1.00 12.14 C ATOM 382 CD2 LEU A 26 -7.376 7.707 0.546 1.00 42.33 C ATOM 0 H LEU A 26 -5.225 6.603 3.520 1.00 4.03 H new ATOM 0 HA LEU A 26 -7.294 5.415 2.017 1.00 75.03 H new ATOM 0 HB2 LEU A 26 -4.396 6.064 1.322 1.00 61.34 H new ATOM 0 HB3 LEU A 26 -5.595 5.579 0.140 1.00 61.34 H new ATOM 0 HG LEU A 26 -5.739 8.085 1.866 1.00 31.21 H new ATOM 0 HD11 LEU A 26 -5.319 9.327 -0.237 1.00 12.14 H new ATOM 0 HD12 LEU A 26 -3.961 8.262 0.196 1.00 12.14 H new ATOM 0 HD13 LEU A 26 -5.092 7.783 -1.091 1.00 12.14 H new ATOM 0 HD21 LEU A 26 -7.636 8.759 0.427 1.00 42.33 H new ATOM 0 HD22 LEU A 26 -7.568 7.178 -0.387 1.00 42.33 H new ATOM 0 HD23 LEU A 26 -7.981 7.271 1.341 1.00 42.33 H new ATOM 394 N LEU A 27 -4.862 3.371 2.860 1.00 51.22 N ATOM 395 CA LEU A 27 -4.507 1.954 2.998 1.00 4.23 C ATOM 396 C LEU A 27 -5.549 1.244 3.875 1.00 23.34 C ATOM 397 O LEU A 27 -6.183 0.293 3.447 1.00 61.03 O ATOM 398 CB LEU A 27 -3.097 1.806 3.620 1.00 51.11 C ATOM 399 CG LEU A 27 -1.928 2.424 2.800 1.00 72.22 C ATOM 400 CD1 LEU A 27 -0.618 2.395 3.598 1.00 52.21 C ATOM 401 CD2 LEU A 27 -1.777 1.730 1.432 1.00 12.22 C ATOM 0 H LEU A 27 -4.253 4.000 3.383 1.00 51.22 H new ATOM 0 HA LEU A 27 -4.496 1.495 2.009 1.00 4.23 H new ATOM 0 HB2 LEU A 27 -3.106 2.266 4.608 1.00 51.11 H new ATOM 0 HB3 LEU A 27 -2.894 0.745 3.764 1.00 51.11 H new ATOM 0 HG LEU A 27 -2.170 3.469 2.607 1.00 72.22 H new ATOM 0 HD11 LEU A 27 0.182 2.833 3.001 1.00 52.21 H new ATOM 0 HD12 LEU A 27 -0.739 2.968 4.518 1.00 52.21 H new ATOM 0 HD13 LEU A 27 -0.364 1.364 3.844 1.00 52.21 H new ATOM 0 HD21 LEU A 27 -0.952 2.184 0.883 1.00 12.22 H new ATOM 0 HD22 LEU A 27 -1.573 0.670 1.582 1.00 12.22 H new ATOM 0 HD23 LEU A 27 -2.699 1.845 0.862 1.00 12.22 H new ATOM 413 N ASP A 28 -5.759 1.781 5.087 1.00 64.12 N ATOM 414 CA ASP A 28 -6.566 1.128 6.140 1.00 42.32 C ATOM 415 C ASP A 28 -8.063 1.032 5.766 1.00 1.23 C ATOM 416 O ASP A 28 -8.778 0.159 6.272 1.00 71.54 O ATOM 417 CB ASP A 28 -6.383 1.889 7.482 1.00 52.12 C ATOM 418 CG ASP A 28 -6.988 1.153 8.693 1.00 61.35 C ATOM 419 OD1 ASP A 28 -6.453 0.094 9.068 1.00 41.01 O ATOM 420 OD2 ASP A 28 -7.989 1.625 9.279 1.00 5.35 O ATOM 0 H ASP A 28 -5.375 2.683 5.369 1.00 64.12 H new ATOM 0 HA ASP A 28 -6.207 0.104 6.246 1.00 42.32 H new ATOM 0 HB2 ASP A 28 -5.319 2.048 7.658 1.00 52.12 H new ATOM 0 HB3 ASP A 28 -6.843 2.873 7.398 1.00 52.12 H new ATOM 425 N THR A 29 -8.515 1.932 4.880 1.00 21.12 N ATOM 426 CA THR A 29 -9.913 2.008 4.433 1.00 13.44 C ATOM 427 C THR A 29 -10.143 1.165 3.160 1.00 45.25 C ATOM 428 O THR A 29 -11.045 0.315 3.128 1.00 50.22 O ATOM 429 CB THR A 29 -10.330 3.494 4.186 1.00 45.51 C ATOM 430 OG1 THR A 29 -9.463 4.089 3.206 1.00 62.21 O ATOM 431 CG2 THR A 29 -10.300 4.321 5.489 1.00 23.53 C ATOM 0 H THR A 29 -7.914 2.635 4.450 1.00 21.12 H new ATOM 0 HA THR A 29 -10.538 1.596 5.225 1.00 13.44 H new ATOM 0 HB THR A 29 -11.355 3.495 3.817 1.00 45.51 H new ATOM 0 HG1 THR A 29 -8.609 4.324 3.625 1.00 62.21 H new ATOM 0 HG21 THR A 29 -10.596 5.348 5.275 1.00 23.53 H new ATOM 0 HG22 THR A 29 -10.991 3.887 6.211 1.00 23.53 H new ATOM 0 HG23 THR A 29 -9.291 4.313 5.902 1.00 23.53 H new ATOM 439 N ARG A 30 -9.321 1.399 2.118 1.00 10.33 N ATOM 440 CA ARG A 30 -9.509 0.776 0.794 1.00 51.04 C ATOM 441 C ARG A 30 -8.778 -0.577 0.685 1.00 61.13 C ATOM 442 O ARG A 30 -9.382 -1.580 0.297 1.00 60.03 O ATOM 443 CB ARG A 30 -9.035 1.726 -0.332 1.00 15.12 C ATOM 444 CG ARG A 30 -9.810 3.071 -0.438 1.00 72.13 C ATOM 445 CD ARG A 30 -9.532 3.808 -1.758 1.00 73.13 C ATOM 446 NE ARG A 30 -9.869 2.953 -2.922 1.00 5.40 N ATOM 447 CZ ARG A 30 -9.970 3.346 -4.198 1.00 41.11 C ATOM 448 NH1 ARG A 30 -9.772 4.615 -4.555 1.00 4.42 N ATOM 449 NH2 ARG A 30 -10.259 2.445 -5.126 1.00 51.33 N ATOM 0 H ARG A 30 -8.514 2.021 2.170 1.00 10.33 H new ATOM 0 HA ARG A 30 -10.577 0.590 0.677 1.00 51.04 H new ATOM 0 HB2 ARG A 30 -7.978 1.946 -0.179 1.00 15.12 H new ATOM 0 HB3 ARG A 30 -9.117 1.203 -1.285 1.00 15.12 H new ATOM 0 HG2 ARG A 30 -10.879 2.878 -0.351 1.00 72.13 H new ATOM 0 HG3 ARG A 30 -9.533 3.713 0.398 1.00 72.13 H new ATOM 0 HD2 ARG A 30 -10.116 4.728 -1.796 1.00 73.13 H new ATOM 0 HD3 ARG A 30 -8.482 4.095 -1.805 1.00 73.13 H new ATOM 0 HE ARG A 30 -10.041 1.966 -2.731 1.00 5.40 H new ATOM 0 HH11 ARG A 30 -9.537 5.313 -3.849 1.00 4.42 H new ATOM 0 HH12 ARG A 30 -9.855 4.888 -5.534 1.00 4.42 H new ATOM 0 HH21 ARG A 30 -10.401 1.470 -4.863 1.00 51.33 H new ATOM 0 HH22 ARG A 30 -10.340 2.727 -6.103 1.00 51.33 H new ATOM 463 N ILE A 31 -7.481 -0.598 1.041 1.00 21.23 N ATOM 464 CA ILE A 31 -6.592 -1.733 0.735 1.00 74.01 C ATOM 465 C ILE A 31 -6.680 -2.825 1.813 1.00 1.21 C ATOM 466 O ILE A 31 -7.165 -3.921 1.512 1.00 33.12 O ATOM 467 CB ILE A 31 -5.103 -1.254 0.521 1.00 5.21 C ATOM 468 CG1 ILE A 31 -5.011 -0.208 -0.636 1.00 61.22 C ATOM 469 CG2 ILE A 31 -4.144 -2.439 0.262 1.00 55.52 C ATOM 470 CD1 ILE A 31 -5.506 -0.691 -2.000 1.00 52.23 C ATOM 0 H ILE A 31 -7.023 0.163 1.544 1.00 21.23 H new ATOM 0 HA ILE A 31 -6.934 -2.173 -0.202 1.00 74.01 H new ATOM 0 HB ILE A 31 -4.786 -0.774 1.447 1.00 5.21 H new ATOM 0 HG12 ILE A 31 -5.585 0.674 -0.352 1.00 61.22 H new ATOM 0 HG13 ILE A 31 -3.972 0.107 -0.736 1.00 61.22 H new ATOM 0 HG21 ILE A 31 -3.131 -2.063 0.120 1.00 55.52 H new ATOM 0 HG22 ILE A 31 -4.164 -3.116 1.116 1.00 55.52 H new ATOM 0 HG23 ILE A 31 -4.461 -2.974 -0.633 1.00 55.52 H new ATOM 0 HD11 ILE A 31 -5.398 0.111 -2.731 1.00 52.23 H new ATOM 0 HD12 ILE A 31 -4.918 -1.552 -2.317 1.00 52.23 H new ATOM 0 HD13 ILE A 31 -6.555 -0.976 -1.926 1.00 52.23 H new ATOM 482 N ARG A 32 -6.244 -2.506 3.068 1.00 54.01 N ATOM 483 CA ARG A 32 -6.133 -3.482 4.184 1.00 10.34 C ATOM 484 C ARG A 32 -7.353 -4.441 4.291 1.00 54.33 C ATOM 485 O ARG A 32 -7.128 -5.644 4.244 1.00 21.44 O ATOM 486 CB ARG A 32 -5.885 -2.802 5.570 1.00 23.55 C ATOM 487 CG ARG A 32 -4.536 -2.073 5.734 1.00 3.02 C ATOM 488 CD ARG A 32 -4.199 -1.782 7.215 1.00 34.33 C ATOM 489 NE ARG A 32 -4.053 -3.040 7.975 1.00 43.53 N ATOM 490 CZ ARG A 32 -4.495 -3.278 9.225 1.00 2.30 C ATOM 491 NH1 ARG A 32 -5.144 -2.352 9.931 1.00 52.24 N ATOM 492 NH2 ARG A 32 -4.318 -4.482 9.751 1.00 54.21 N ATOM 0 H ARG A 32 -5.960 -1.562 3.329 1.00 54.01 H new ATOM 0 HA ARG A 32 -5.256 -4.077 3.928 1.00 10.34 H new ATOM 0 HB2 ARG A 32 -6.687 -2.086 5.749 1.00 23.55 H new ATOM 0 HB3 ARG A 32 -5.960 -3.565 6.345 1.00 23.55 H new ATOM 0 HG2 ARG A 32 -3.743 -2.679 5.296 1.00 3.02 H new ATOM 0 HG3 ARG A 32 -4.563 -1.135 5.179 1.00 3.02 H new ATOM 0 HD2 ARG A 32 -3.276 -1.205 7.276 1.00 34.33 H new ATOM 0 HD3 ARG A 32 -4.986 -1.172 7.659 1.00 34.33 H new ATOM 0 HE ARG A 32 -3.569 -3.806 7.506 1.00 43.53 H new ATOM 0 HH11 ARG A 32 -5.319 -1.432 9.527 1.00 52.24 H new ATOM 0 HH12 ARG A 32 -5.466 -2.564 10.875 1.00 52.24 H new ATOM 0 HH21 ARG A 32 -3.853 -5.211 9.210 1.00 54.21 H new ATOM 0 HH22 ARG A 32 -4.647 -4.679 10.696 1.00 54.21 H new ATOM 506 N PRO A 33 -8.660 -3.942 4.426 1.00 64.42 N ATOM 507 CA PRO A 33 -9.842 -4.838 4.610 1.00 44.33 C ATOM 508 C PRO A 33 -9.980 -5.868 3.465 1.00 34.55 C ATOM 509 O PRO A 33 -10.273 -7.034 3.717 1.00 21.33 O ATOM 510 CB PRO A 33 -11.050 -3.855 4.642 1.00 65.03 C ATOM 511 CG PRO A 33 -10.461 -2.537 5.042 1.00 15.51 C ATOM 512 CD PRO A 33 -9.098 -2.510 4.399 1.00 1.22 C ATOM 0 HA PRO A 33 -9.763 -5.443 5.513 1.00 44.33 H new ATOM 0 HB2 PRO A 33 -11.535 -3.792 3.668 1.00 65.03 H new ATOM 0 HB3 PRO A 33 -11.807 -4.182 5.354 1.00 65.03 H new ATOM 0 HG2 PRO A 33 -11.078 -1.707 4.696 1.00 15.51 H new ATOM 0 HG3 PRO A 33 -10.388 -2.449 6.126 1.00 15.51 H new ATOM 0 HD2 PRO A 33 -9.144 -2.125 3.380 1.00 1.22 H new ATOM 0 HD3 PRO A 33 -8.409 -1.871 4.950 1.00 1.22 H new ATOM 520 N THR A 34 -9.712 -5.410 2.224 1.00 41.20 N ATOM 521 CA THR A 34 -9.797 -6.237 1.010 1.00 14.21 C ATOM 522 C THR A 34 -8.732 -7.354 1.043 1.00 11.45 C ATOM 523 O THR A 34 -9.028 -8.518 0.748 1.00 41.24 O ATOM 524 CB THR A 34 -9.618 -5.340 -0.262 1.00 10.45 C ATOM 525 OG1 THR A 34 -10.534 -4.233 -0.198 1.00 10.02 O ATOM 526 CG2 THR A 34 -9.850 -6.113 -1.578 1.00 62.32 C ATOM 0 H THR A 34 -9.429 -4.448 2.039 1.00 41.20 H new ATOM 0 HA THR A 34 -10.780 -6.706 0.971 1.00 14.21 H new ATOM 0 HB THR A 34 -8.585 -4.992 -0.266 1.00 10.45 H new ATOM 0 HG1 THR A 34 -10.036 -3.406 -0.028 1.00 10.02 H new ATOM 0 HG21 THR A 34 -9.712 -5.440 -2.424 1.00 62.32 H new ATOM 0 HG22 THR A 34 -9.137 -6.935 -1.648 1.00 62.32 H new ATOM 0 HG23 THR A 34 -10.865 -6.511 -1.592 1.00 62.32 H new ATOM 534 N VAL A 35 -7.500 -6.986 1.441 1.00 64.31 N ATOM 535 CA VAL A 35 -6.363 -7.928 1.522 1.00 14.50 C ATOM 536 C VAL A 35 -6.562 -8.920 2.696 1.00 50.11 C ATOM 537 O VAL A 35 -6.145 -10.082 2.620 1.00 2.44 O ATOM 538 CB VAL A 35 -4.982 -7.175 1.672 1.00 4.22 C ATOM 539 CG1 VAL A 35 -3.782 -8.135 1.486 1.00 14.42 C ATOM 540 CG2 VAL A 35 -4.883 -6.001 0.688 1.00 11.34 C ATOM 0 H VAL A 35 -7.263 -6.032 1.715 1.00 64.31 H new ATOM 0 HA VAL A 35 -6.336 -8.484 0.585 1.00 14.50 H new ATOM 0 HB VAL A 35 -4.941 -6.781 2.688 1.00 4.22 H new ATOM 0 HG11 VAL A 35 -2.851 -7.579 1.597 1.00 14.42 H new ATOM 0 HG12 VAL A 35 -3.826 -8.923 2.238 1.00 14.42 H new ATOM 0 HG13 VAL A 35 -3.823 -8.580 0.492 1.00 14.42 H new ATOM 0 HG21 VAL A 35 -3.923 -5.501 0.813 1.00 11.34 H new ATOM 0 HG22 VAL A 35 -4.967 -6.374 -0.333 1.00 11.34 H new ATOM 0 HG23 VAL A 35 -5.689 -5.293 0.884 1.00 11.34 H new ATOM 550 N GLN A 36 -7.241 -8.452 3.761 1.00 3.13 N ATOM 551 CA GLN A 36 -7.587 -9.278 4.939 1.00 4.33 C ATOM 552 C GLN A 36 -8.607 -10.369 4.562 1.00 14.25 C ATOM 553 O GLN A 36 -8.544 -11.494 5.071 1.00 41.42 O ATOM 554 CB GLN A 36 -8.123 -8.377 6.091 1.00 63.54 C ATOM 555 CG GLN A 36 -7.033 -7.508 6.757 1.00 0.42 C ATOM 556 CD GLN A 36 -7.574 -6.420 7.690 1.00 71.45 C ATOM 557 OE1 GLN A 36 -8.636 -6.563 8.297 1.00 34.52 O ATOM 558 NE2 GLN A 36 -6.840 -5.320 7.815 1.00 42.02 N ATOM 0 H GLN A 36 -7.567 -7.488 3.831 1.00 3.13 H new ATOM 0 HA GLN A 36 -6.685 -9.778 5.291 1.00 4.33 H new ATOM 0 HB2 GLN A 36 -8.904 -7.726 5.698 1.00 63.54 H new ATOM 0 HB3 GLN A 36 -8.586 -9.009 6.849 1.00 63.54 H new ATOM 0 HG2 GLN A 36 -6.365 -8.156 7.324 1.00 0.42 H new ATOM 0 HG3 GLN A 36 -6.435 -7.037 5.977 1.00 0.42 H new ATOM 0 HE21 GLN A 36 -5.964 -5.230 7.300 1.00 42.02 H new ATOM 0 HE22 GLN A 36 -7.152 -4.566 8.426 1.00 42.02 H new ATOM 567 N GLU A 37 -9.536 -10.021 3.658 1.00 54.14 N ATOM 568 CA GLU A 37 -10.507 -10.975 3.078 1.00 34.23 C ATOM 569 C GLU A 37 -9.810 -11.916 2.070 1.00 52.43 C ATOM 570 O GLU A 37 -10.239 -13.062 1.863 1.00 33.44 O ATOM 571 CB GLU A 37 -11.649 -10.192 2.389 1.00 13.12 C ATOM 572 CG GLU A 37 -12.470 -9.298 3.346 1.00 72.03 C ATOM 573 CD GLU A 37 -13.424 -8.361 2.598 1.00 21.20 C ATOM 574 OE1 GLU A 37 -14.587 -8.748 2.340 1.00 2.43 O ATOM 575 OE2 GLU A 37 -13.008 -7.236 2.245 1.00 50.53 O ATOM 0 H GLU A 37 -9.639 -9.070 3.305 1.00 54.14 H new ATOM 0 HA GLU A 37 -10.924 -11.588 3.877 1.00 34.23 H new ATOM 0 HB2 GLU A 37 -11.224 -9.569 1.602 1.00 13.12 H new ATOM 0 HB3 GLU A 37 -12.321 -10.901 1.906 1.00 13.12 H new ATOM 0 HG2 GLU A 37 -13.043 -9.929 4.025 1.00 72.03 H new ATOM 0 HG3 GLU A 37 -11.790 -8.706 3.958 1.00 72.03 H new ATOM 582 N ASP A 38 -8.734 -11.406 1.443 1.00 72.14 N ATOM 583 CA ASP A 38 -7.894 -12.169 0.497 1.00 44.22 C ATOM 584 C ASP A 38 -6.980 -13.173 1.244 1.00 64.25 C ATOM 585 O ASP A 38 -6.581 -14.190 0.674 1.00 71.53 O ATOM 586 CB ASP A 38 -7.064 -11.152 -0.349 1.00 71.25 C ATOM 587 CG ASP A 38 -6.011 -11.780 -1.286 1.00 64.32 C ATOM 588 OD1 ASP A 38 -6.398 -12.328 -2.340 1.00 35.10 O ATOM 589 OD2 ASP A 38 -4.795 -11.702 -0.979 1.00 31.22 O ATOM 0 H ASP A 38 -8.419 -10.445 1.579 1.00 72.14 H new ATOM 0 HA ASP A 38 -8.525 -12.762 -0.165 1.00 44.22 H new ATOM 0 HB2 ASP A 38 -7.752 -10.557 -0.949 1.00 71.25 H new ATOM 0 HB3 ASP A 38 -6.559 -10.466 0.331 1.00 71.25 H new ATOM 594 N GLY A 39 -6.709 -12.914 2.536 1.00 2.13 N ATOM 595 CA GLY A 39 -5.926 -13.833 3.380 1.00 41.43 C ATOM 596 C GLY A 39 -4.572 -13.270 3.796 1.00 43.02 C ATOM 597 O GLY A 39 -3.856 -13.905 4.579 1.00 41.43 O ATOM 0 H GLY A 39 -7.022 -12.072 3.019 1.00 2.13 H new ATOM 0 HA2 GLY A 39 -6.502 -14.072 4.274 1.00 41.43 H new ATOM 0 HA3 GLY A 39 -5.772 -14.767 2.840 1.00 41.43 H new ATOM 601 N GLY A 40 -4.210 -12.093 3.257 1.00 21.23 N ATOM 602 CA GLY A 40 -2.995 -11.364 3.662 1.00 65.22 C ATOM 603 C GLY A 40 -3.337 -10.100 4.445 1.00 54.53 C ATOM 604 O GLY A 40 -4.370 -10.049 5.117 1.00 54.33 O ATOM 0 H GLY A 40 -4.749 -11.621 2.531 1.00 21.23 H new ATOM 0 HA2 GLY A 40 -2.367 -12.013 4.272 1.00 65.22 H new ATOM 0 HA3 GLY A 40 -2.416 -11.100 2.777 1.00 65.22 H new ATOM 608 N ASP A 41 -2.448 -9.096 4.354 1.00 54.40 N ATOM 609 CA ASP A 41 -2.659 -7.734 4.892 1.00 14.22 C ATOM 610 C ASP A 41 -1.474 -6.848 4.470 1.00 62.04 C ATOM 611 O ASP A 41 -0.423 -7.363 4.058 1.00 43.33 O ATOM 612 CB ASP A 41 -2.833 -7.724 6.447 1.00 71.34 C ATOM 613 CG ASP A 41 -3.154 -6.328 7.026 1.00 14.41 C ATOM 614 OD1 ASP A 41 -4.103 -5.679 6.539 1.00 62.25 O ATOM 615 OD2 ASP A 41 -2.447 -5.862 7.944 1.00 2.21 O ATOM 0 H ASP A 41 -1.543 -9.207 3.896 1.00 54.40 H new ATOM 0 HA ASP A 41 -3.588 -7.342 4.479 1.00 14.22 H new ATOM 0 HB2 ASP A 41 -3.633 -8.413 6.719 1.00 71.34 H new ATOM 0 HB3 ASP A 41 -1.919 -8.098 6.909 1.00 71.34 H new ATOM 620 N VAL A 42 -1.662 -5.523 4.547 1.00 10.41 N ATOM 621 CA VAL A 42 -0.619 -4.530 4.259 1.00 41.34 C ATOM 622 C VAL A 42 -0.462 -3.639 5.511 1.00 10.20 C ATOM 623 O VAL A 42 -1.451 -3.158 6.070 1.00 73.31 O ATOM 624 CB VAL A 42 -0.946 -3.683 2.962 1.00 55.32 C ATOM 625 CG1 VAL A 42 -1.185 -4.607 1.742 1.00 34.45 C ATOM 626 CG2 VAL A 42 -2.145 -2.734 3.155 1.00 73.41 C ATOM 0 H VAL A 42 -2.554 -5.106 4.814 1.00 10.41 H new ATOM 0 HA VAL A 42 0.323 -5.034 4.042 1.00 41.34 H new ATOM 0 HB VAL A 42 -0.071 -3.061 2.773 1.00 55.32 H new ATOM 0 HG11 VAL A 42 -1.408 -4.000 0.864 1.00 34.45 H new ATOM 0 HG12 VAL A 42 -0.291 -5.201 1.555 1.00 34.45 H new ATOM 0 HG13 VAL A 42 -2.025 -5.270 1.947 1.00 34.45 H new ATOM 0 HG21 VAL A 42 -2.322 -2.180 2.233 1.00 73.41 H new ATOM 0 HG22 VAL A 42 -3.032 -3.315 3.405 1.00 73.41 H new ATOM 0 HG23 VAL A 42 -1.929 -2.035 3.963 1.00 73.41 H new ATOM 636 N ILE A 43 0.773 -3.494 6.005 1.00 55.53 N ATOM 637 CA ILE A 43 1.058 -2.676 7.198 1.00 64.40 C ATOM 638 C ILE A 43 2.012 -1.557 6.779 1.00 13.50 C ATOM 639 O ILE A 43 3.046 -1.820 6.162 1.00 32.34 O ATOM 640 CB ILE A 43 1.698 -3.495 8.398 1.00 52.24 C ATOM 641 CG1 ILE A 43 0.874 -4.788 8.767 1.00 40.00 C ATOM 642 CG2 ILE A 43 1.854 -2.583 9.646 1.00 32.22 C ATOM 643 CD1 ILE A 43 1.075 -5.979 7.844 1.00 2.31 C ATOM 0 H ILE A 43 1.598 -3.934 5.597 1.00 55.53 H new ATOM 0 HA ILE A 43 0.109 -2.290 7.571 1.00 64.40 H new ATOM 0 HB ILE A 43 2.679 -3.832 8.063 1.00 52.24 H new ATOM 0 HG12 ILE A 43 1.138 -5.088 9.781 1.00 40.00 H new ATOM 0 HG13 ILE A 43 -0.185 -4.532 8.775 1.00 40.00 H new ATOM 0 HG21 ILE A 43 2.294 -3.156 10.462 1.00 32.22 H new ATOM 0 HG22 ILE A 43 2.502 -1.741 9.403 1.00 32.22 H new ATOM 0 HG23 ILE A 43 0.875 -2.211 9.950 1.00 32.22 H new ATOM 0 HD11 ILE A 43 0.463 -6.813 8.188 1.00 2.31 H new ATOM 0 HD12 ILE A 43 0.781 -5.707 6.830 1.00 2.31 H new ATOM 0 HD13 ILE A 43 2.125 -6.272 7.851 1.00 2.31 H new ATOM 655 N TYR A 44 1.660 -0.311 7.112 1.00 4.24 N ATOM 656 CA TYR A 44 2.427 0.869 6.707 1.00 55.34 C ATOM 657 C TYR A 44 3.716 0.962 7.551 1.00 4.24 C ATOM 658 O TYR A 44 3.657 0.960 8.780 1.00 3.22 O ATOM 659 CB TYR A 44 1.555 2.141 6.850 1.00 4.30 C ATOM 660 CG TYR A 44 2.045 3.378 6.085 1.00 73.22 C ATOM 661 CD1 TYR A 44 3.057 3.318 5.117 1.00 73.03 C ATOM 662 CD2 TYR A 44 1.456 4.609 6.314 1.00 64.22 C ATOM 663 CE1 TYR A 44 3.454 4.438 4.429 1.00 51.23 C ATOM 664 CE2 TYR A 44 1.850 5.727 5.621 1.00 44.34 C ATOM 665 CZ TYR A 44 2.848 5.639 4.682 1.00 13.34 C ATOM 666 OH TYR A 44 3.231 6.762 3.985 1.00 44.44 O ATOM 0 H TYR A 44 0.835 -0.093 7.670 1.00 4.24 H new ATOM 0 HA TYR A 44 2.715 0.782 5.659 1.00 55.34 H new ATOM 0 HB2 TYR A 44 0.545 1.906 6.513 1.00 4.30 H new ATOM 0 HB3 TYR A 44 1.487 2.395 7.908 1.00 4.30 H new ATOM 0 HD1 TYR A 44 3.534 2.372 4.908 1.00 73.03 H new ATOM 0 HD2 TYR A 44 0.672 4.692 7.052 1.00 64.22 H new ATOM 0 HE1 TYR A 44 4.241 4.372 3.692 1.00 51.23 H new ATOM 0 HE2 TYR A 44 1.374 6.677 5.815 1.00 44.34 H new ATOM 0 HH TYR A 44 3.266 6.556 3.027 1.00 44.44 H new ATOM 676 N LYS A 45 4.874 1.006 6.868 1.00 31.04 N ATOM 677 CA LYS A 45 6.211 0.936 7.506 1.00 61.23 C ATOM 678 C LYS A 45 7.028 2.223 7.286 1.00 21.25 C ATOM 679 O LYS A 45 7.820 2.614 8.158 1.00 34.32 O ATOM 680 CB LYS A 45 6.983 -0.282 6.953 1.00 51.24 C ATOM 681 CG LYS A 45 6.295 -1.656 7.150 1.00 74.15 C ATOM 682 CD LYS A 45 6.513 -2.323 8.546 1.00 22.51 C ATOM 683 CE LYS A 45 5.463 -2.006 9.627 1.00 0.13 C ATOM 684 NZ LYS A 45 5.585 -0.639 10.201 1.00 22.34 N ATOM 0 H LYS A 45 4.914 1.092 5.852 1.00 31.04 H new ATOM 0 HA LYS A 45 6.062 0.827 8.580 1.00 61.23 H new ATOM 0 HB2 LYS A 45 7.151 -0.129 5.887 1.00 51.24 H new ATOM 0 HB3 LYS A 45 7.963 -0.315 7.429 1.00 51.24 H new ATOM 0 HG2 LYS A 45 5.224 -1.533 6.989 1.00 74.15 H new ATOM 0 HG3 LYS A 45 6.657 -2.338 6.380 1.00 74.15 H new ATOM 0 HD2 LYS A 45 6.545 -3.404 8.407 1.00 22.51 H new ATOM 0 HD3 LYS A 45 7.491 -2.021 8.920 1.00 22.51 H new ATOM 0 HE2 LYS A 45 4.468 -2.122 9.198 1.00 0.13 H new ATOM 0 HE3 LYS A 45 5.551 -2.737 10.431 1.00 0.13 H new ATOM 0 HZ1 LYS A 45 5.350 -0.665 11.214 1.00 22.34 H new ATOM 0 HZ2 LYS A 45 6.560 -0.298 10.081 1.00 22.34 H new ATOM 0 HZ3 LYS A 45 4.930 0.003 9.710 1.00 22.34 H new ATOM 698 N GLY A 46 6.844 2.873 6.121 1.00 52.52 N ATOM 699 CA GLY A 46 7.557 4.123 5.821 1.00 5.53 C ATOM 700 C GLY A 46 7.176 4.714 4.478 1.00 31.22 C ATOM 701 O GLY A 46 6.407 4.118 3.734 1.00 71.25 O ATOM 0 H GLY A 46 6.216 2.556 5.383 1.00 52.52 H new ATOM 0 HA2 GLY A 46 7.348 4.851 6.605 1.00 5.53 H new ATOM 0 HA3 GLY A 46 8.631 3.936 5.838 1.00 5.53 H new ATOM 705 N PHE A 47 7.740 5.890 4.178 1.00 61.50 N ATOM 706 CA PHE A 47 7.511 6.627 2.922 1.00 24.14 C ATOM 707 C PHE A 47 8.768 7.463 2.638 1.00 2.52 C ATOM 708 O PHE A 47 9.062 8.409 3.369 1.00 71.13 O ATOM 709 CB PHE A 47 6.240 7.518 3.076 1.00 45.12 C ATOM 710 CG PHE A 47 5.871 8.382 1.870 1.00 45.35 C ATOM 711 CD1 PHE A 47 5.687 7.819 0.608 1.00 2.23 C ATOM 712 CD2 PHE A 47 5.683 9.762 2.009 1.00 32.13 C ATOM 713 CE1 PHE A 47 5.332 8.602 -0.475 1.00 4.34 C ATOM 714 CE2 PHE A 47 5.327 10.541 0.923 1.00 34.44 C ATOM 715 CZ PHE A 47 5.152 9.959 -0.319 1.00 61.01 C ATOM 0 H PHE A 47 8.381 6.368 4.811 1.00 61.50 H new ATOM 0 HA PHE A 47 7.337 5.953 2.083 1.00 24.14 H new ATOM 0 HB2 PHE A 47 5.394 6.871 3.305 1.00 45.12 H new ATOM 0 HB3 PHE A 47 6.383 8.173 3.936 1.00 45.12 H new ATOM 0 HD1 PHE A 47 5.824 6.756 0.474 1.00 2.23 H new ATOM 0 HD2 PHE A 47 5.818 10.224 2.976 1.00 32.13 H new ATOM 0 HE1 PHE A 47 5.195 8.149 -1.446 1.00 4.34 H new ATOM 0 HE2 PHE A 47 5.186 11.605 1.045 1.00 34.44 H new ATOM 0 HZ PHE A 47 4.874 10.568 -1.167 1.00 61.01 H new ATOM 725 N GLU A 48 9.524 7.098 1.586 1.00 32.14 N ATOM 726 CA GLU A 48 10.836 7.714 1.289 1.00 1.52 C ATOM 727 C GLU A 48 11.002 7.913 -0.226 1.00 22.21 C ATOM 728 O GLU A 48 10.911 6.939 -0.983 1.00 61.03 O ATOM 729 CB GLU A 48 12.006 6.835 1.815 1.00 61.33 C ATOM 730 CG GLU A 48 11.994 6.578 3.334 1.00 30.52 C ATOM 731 CD GLU A 48 13.263 5.867 3.825 1.00 62.14 C ATOM 732 OE1 GLU A 48 13.368 4.637 3.662 1.00 21.01 O ATOM 733 OE2 GLU A 48 14.178 6.543 4.349 1.00 11.43 O ATOM 0 H GLU A 48 9.248 6.375 0.922 1.00 32.14 H new ATOM 0 HA GLU A 48 10.866 8.679 1.795 1.00 1.52 H new ATOM 0 HB2 GLU A 48 11.980 5.875 1.299 1.00 61.33 H new ATOM 0 HB3 GLU A 48 12.948 7.314 1.550 1.00 61.33 H new ATOM 0 HG2 GLU A 48 11.889 7.528 3.858 1.00 30.52 H new ATOM 0 HG3 GLU A 48 11.123 5.975 3.589 1.00 30.52 H new ATOM 740 N ASP A 49 11.232 9.179 -0.637 1.00 43.04 N ATOM 741 CA ASP A 49 11.542 9.573 -2.036 1.00 2.45 C ATOM 742 C ASP A 49 10.361 9.299 -2.982 1.00 32.11 C ATOM 743 O ASP A 49 10.526 9.242 -4.204 1.00 73.31 O ATOM 744 CB ASP A 49 12.851 8.879 -2.532 1.00 3.20 C ATOM 745 CG ASP A 49 14.081 9.225 -1.660 1.00 60.40 C ATOM 746 OD1 ASP A 49 14.738 10.255 -1.931 1.00 35.53 O ATOM 747 OD2 ASP A 49 14.389 8.479 -0.695 1.00 0.24 O ATOM 0 H ASP A 49 11.208 9.973 0.003 1.00 43.04 H new ATOM 0 HA ASP A 49 11.710 10.650 -2.047 1.00 2.45 H new ATOM 0 HB2 ASP A 49 12.705 7.799 -2.534 1.00 3.20 H new ATOM 0 HB3 ASP A 49 13.047 9.177 -3.562 1.00 3.20 H new ATOM 752 N GLY A 50 9.161 9.172 -2.390 1.00 11.22 N ATOM 753 CA GLY A 50 7.935 8.889 -3.131 1.00 33.04 C ATOM 754 C GLY A 50 7.526 7.425 -3.082 1.00 52.32 C ATOM 755 O GLY A 50 6.472 7.050 -3.603 1.00 52.40 O ATOM 0 H GLY A 50 9.021 9.264 -1.384 1.00 11.22 H new ATOM 0 HA2 GLY A 50 7.126 9.499 -2.728 1.00 33.04 H new ATOM 0 HA3 GLY A 50 8.070 9.186 -4.171 1.00 33.04 H new ATOM 759 N ILE A 51 8.352 6.598 -2.440 1.00 53.32 N ATOM 760 CA ILE A 51 8.132 5.152 -2.356 1.00 75.12 C ATOM 761 C ILE A 51 7.426 4.802 -1.034 1.00 50.34 C ATOM 762 O ILE A 51 8.014 4.930 0.049 1.00 15.44 O ATOM 763 CB ILE A 51 9.489 4.365 -2.490 1.00 5.35 C ATOM 764 CG1 ILE A 51 10.274 4.822 -3.766 1.00 13.21 C ATOM 765 CG2 ILE A 51 9.251 2.844 -2.504 1.00 71.15 C ATOM 766 CD1 ILE A 51 9.517 4.687 -5.077 1.00 2.31 C ATOM 0 H ILE A 51 9.196 6.913 -1.961 1.00 53.32 H new ATOM 0 HA ILE A 51 7.492 4.851 -3.185 1.00 75.12 H new ATOM 0 HB ILE A 51 10.098 4.597 -1.617 1.00 5.35 H new ATOM 0 HG12 ILE A 51 10.565 5.865 -3.639 1.00 13.21 H new ATOM 0 HG13 ILE A 51 11.193 4.240 -3.835 1.00 13.21 H new ATOM 0 HG21 ILE A 51 10.206 2.327 -2.598 1.00 71.15 H new ATOM 0 HG22 ILE A 51 8.765 2.543 -1.576 1.00 71.15 H new ATOM 0 HG23 ILE A 51 8.613 2.583 -3.349 1.00 71.15 H new ATOM 0 HD11 ILE A 51 10.147 5.029 -5.898 1.00 2.31 H new ATOM 0 HD12 ILE A 51 9.249 3.643 -5.237 1.00 2.31 H new ATOM 0 HD13 ILE A 51 8.611 5.292 -5.038 1.00 2.31 H new ATOM 778 N VAL A 52 6.147 4.395 -1.143 1.00 21.03 N ATOM 779 CA VAL A 52 5.328 3.961 -0.005 1.00 3.22 C ATOM 780 C VAL A 52 5.732 2.526 0.370 1.00 32.51 C ATOM 781 O VAL A 52 5.421 1.570 -0.342 1.00 34.22 O ATOM 782 CB VAL A 52 3.793 4.025 -0.334 1.00 52.32 C ATOM 783 CG1 VAL A 52 2.934 3.630 0.889 1.00 1.20 C ATOM 784 CG2 VAL A 52 3.398 5.418 -0.865 1.00 30.03 C ATOM 0 H VAL A 52 5.652 4.359 -2.034 1.00 21.03 H new ATOM 0 HA VAL A 52 5.505 4.636 0.832 1.00 3.22 H new ATOM 0 HB VAL A 52 3.595 3.297 -1.121 1.00 52.32 H new ATOM 0 HG11 VAL A 52 1.878 3.686 0.625 1.00 1.20 H new ATOM 0 HG12 VAL A 52 3.179 2.612 1.192 1.00 1.20 H new ATOM 0 HG13 VAL A 52 3.138 4.313 1.713 1.00 1.20 H new ATOM 0 HG21 VAL A 52 2.330 5.434 -1.085 1.00 30.03 H new ATOM 0 HG22 VAL A 52 3.625 6.172 -0.112 1.00 30.03 H new ATOM 0 HG23 VAL A 52 3.959 5.633 -1.774 1.00 30.03 H new ATOM 794 N GLN A 53 6.448 2.396 1.475 1.00 10.11 N ATOM 795 CA GLN A 53 7.029 1.129 1.922 1.00 32.50 C ATOM 796 C GLN A 53 6.052 0.405 2.870 1.00 12.10 C ATOM 797 O GLN A 53 5.712 0.918 3.950 1.00 13.14 O ATOM 798 CB GLN A 53 8.398 1.428 2.585 1.00 0.03 C ATOM 799 CG GLN A 53 9.428 2.032 1.599 1.00 11.44 C ATOM 800 CD GLN A 53 10.727 2.504 2.252 1.00 74.21 C ATOM 801 OE1 GLN A 53 11.157 1.979 3.281 1.00 71.23 O ATOM 802 NE2 GLN A 53 11.381 3.479 1.637 1.00 65.02 N ATOM 0 H GLN A 53 6.648 3.177 2.100 1.00 10.11 H new ATOM 0 HA GLN A 53 7.197 0.457 1.081 1.00 32.50 H new ATOM 0 HB2 GLN A 53 8.250 2.118 3.416 1.00 0.03 H new ATOM 0 HB3 GLN A 53 8.802 0.506 3.004 1.00 0.03 H new ATOM 0 HG2 GLN A 53 9.667 1.286 0.841 1.00 11.44 H new ATOM 0 HG3 GLN A 53 8.968 2.875 1.083 1.00 11.44 H new ATOM 0 HE21 GLN A 53 10.998 3.893 0.787 1.00 65.02 H new ATOM 0 HE22 GLN A 53 12.267 3.816 2.014 1.00 65.02 H new ATOM 811 N LEU A 54 5.592 -0.786 2.432 1.00 32.52 N ATOM 812 CA LEU A 54 4.546 -1.578 3.100 1.00 31.35 C ATOM 813 C LEU A 54 5.043 -3.002 3.369 1.00 24.44 C ATOM 814 O LEU A 54 5.658 -3.626 2.502 1.00 23.11 O ATOM 815 CB LEU A 54 3.275 -1.666 2.211 1.00 0.23 C ATOM 816 CG LEU A 54 2.629 -0.318 1.787 1.00 42.02 C ATOM 817 CD1 LEU A 54 1.388 -0.545 0.917 1.00 23.35 C ATOM 818 CD2 LEU A 54 2.300 0.541 3.011 1.00 70.45 C ATOM 0 H LEU A 54 5.947 -1.230 1.585 1.00 32.52 H new ATOM 0 HA LEU A 54 4.306 -1.082 4.041 1.00 31.35 H new ATOM 0 HB2 LEU A 54 3.528 -2.221 1.308 1.00 0.23 H new ATOM 0 HB3 LEU A 54 2.525 -2.250 2.745 1.00 0.23 H new ATOM 0 HG LEU A 54 3.357 0.225 1.184 1.00 42.02 H new ATOM 0 HD11 LEU A 54 0.959 0.417 0.637 1.00 23.35 H new ATOM 0 HD12 LEU A 54 1.669 -1.093 0.018 1.00 23.35 H new ATOM 0 HD13 LEU A 54 0.652 -1.121 1.477 1.00 23.35 H new ATOM 0 HD21 LEU A 54 1.849 1.479 2.687 1.00 70.45 H new ATOM 0 HD22 LEU A 54 1.601 0.006 3.654 1.00 70.45 H new ATOM 0 HD23 LEU A 54 3.215 0.751 3.565 1.00 70.45 H new ATOM 830 N LYS A 55 4.727 -3.519 4.557 1.00 21.20 N ATOM 831 CA LYS A 55 4.983 -4.910 4.924 1.00 53.32 C ATOM 832 C LYS A 55 3.792 -5.758 4.453 1.00 44.10 C ATOM 833 O LYS A 55 2.668 -5.569 4.932 1.00 63.01 O ATOM 834 CB LYS A 55 5.150 -5.031 6.460 1.00 51.23 C ATOM 835 CG LYS A 55 5.501 -6.442 6.976 1.00 3.35 C ATOM 836 CD LYS A 55 5.571 -6.500 8.523 1.00 24.50 C ATOM 837 CE LYS A 55 5.995 -7.877 9.051 1.00 64.12 C ATOM 838 NZ LYS A 55 5.984 -7.936 10.541 1.00 12.42 N ATOM 0 H LYS A 55 4.282 -2.978 5.298 1.00 21.20 H new ATOM 0 HA LYS A 55 5.901 -5.260 4.452 1.00 53.32 H new ATOM 0 HB2 LYS A 55 5.931 -4.341 6.780 1.00 51.23 H new ATOM 0 HB3 LYS A 55 4.224 -4.708 6.936 1.00 51.23 H new ATOM 0 HG2 LYS A 55 4.755 -7.153 6.621 1.00 3.35 H new ATOM 0 HG3 LYS A 55 6.459 -6.751 6.559 1.00 3.35 H new ATOM 0 HD2 LYS A 55 6.275 -5.748 8.878 1.00 24.50 H new ATOM 0 HD3 LYS A 55 4.595 -6.243 8.936 1.00 24.50 H new ATOM 0 HE2 LYS A 55 5.324 -8.639 8.654 1.00 64.12 H new ATOM 0 HE3 LYS A 55 6.995 -8.112 8.687 1.00 64.12 H new ATOM 0 HZ1 LYS A 55 6.277 -8.884 10.853 1.00 12.42 H new ATOM 0 HZ2 LYS A 55 6.643 -7.227 10.921 1.00 12.42 H new ATOM 0 HZ3 LYS A 55 5.024 -7.738 10.889 1.00 12.42 H new ATOM 852 N LEU A 56 4.025 -6.654 3.491 1.00 31.45 N ATOM 853 CA LEU A 56 2.964 -7.523 2.954 1.00 71.12 C ATOM 854 C LEU A 56 2.967 -8.861 3.720 1.00 3.12 C ATOM 855 O LEU A 56 4.034 -9.409 4.019 1.00 35.24 O ATOM 856 CB LEU A 56 3.153 -7.748 1.426 1.00 71.21 C ATOM 857 CG LEU A 56 3.332 -6.463 0.549 1.00 52.34 C ATOM 858 CD1 LEU A 56 3.381 -6.808 -0.951 1.00 74.32 C ATOM 859 CD2 LEU A 56 2.253 -5.408 0.841 1.00 5.23 C ATOM 0 H LEU A 56 4.940 -6.800 3.064 1.00 31.45 H new ATOM 0 HA LEU A 56 1.997 -7.039 3.092 1.00 71.12 H new ATOM 0 HB2 LEU A 56 4.025 -8.385 1.280 1.00 71.21 H new ATOM 0 HB3 LEU A 56 2.290 -8.299 1.053 1.00 71.21 H new ATOM 0 HG LEU A 56 4.292 -6.025 0.823 1.00 52.34 H new ATOM 0 HD11 LEU A 56 3.506 -5.893 -1.531 1.00 74.32 H new ATOM 0 HD12 LEU A 56 4.220 -7.477 -1.143 1.00 74.32 H new ATOM 0 HD13 LEU A 56 2.452 -7.298 -1.242 1.00 74.32 H new ATOM 0 HD21 LEU A 56 2.418 -4.535 0.210 1.00 5.23 H new ATOM 0 HD22 LEU A 56 1.269 -5.827 0.632 1.00 5.23 H new ATOM 0 HD23 LEU A 56 2.307 -5.113 1.889 1.00 5.23 H new ATOM 871 N GLN A 57 1.773 -9.365 4.052 1.00 53.24 N ATOM 872 CA GLN A 57 1.593 -10.615 4.824 1.00 2.32 C ATOM 873 C GLN A 57 1.344 -11.821 3.903 1.00 63.05 C ATOM 874 O GLN A 57 1.042 -11.652 2.710 1.00 45.21 O ATOM 875 CB GLN A 57 0.428 -10.442 5.835 1.00 64.40 C ATOM 876 CG GLN A 57 0.743 -9.493 7.004 1.00 60.20 C ATOM 877 CD GLN A 57 1.853 -10.019 7.930 1.00 31.10 C ATOM 878 OE1 GLN A 57 2.020 -11.229 8.108 1.00 50.12 O ATOM 879 NE2 GLN A 57 2.620 -9.122 8.521 1.00 64.31 N ATOM 0 H GLN A 57 0.893 -8.919 3.794 1.00 53.24 H new ATOM 0 HA GLN A 57 2.515 -10.815 5.371 1.00 2.32 H new ATOM 0 HB2 GLN A 57 -0.447 -10.068 5.303 1.00 64.40 H new ATOM 0 HB3 GLN A 57 0.162 -11.420 6.237 1.00 64.40 H new ATOM 0 HG2 GLN A 57 1.040 -8.523 6.606 1.00 60.20 H new ATOM 0 HG3 GLN A 57 -0.163 -9.333 7.588 1.00 60.20 H new ATOM 0 HE21 GLN A 57 2.461 -8.128 8.357 1.00 64.31 H new ATOM 0 HE22 GLN A 57 3.372 -9.423 9.141 1.00 64.31 H new ATOM 888 N GLY A 58 1.431 -13.035 4.507 1.00 4.31 N ATOM 889 CA GLY A 58 1.336 -14.320 3.795 1.00 2.33 C ATOM 890 C GLY A 58 0.062 -14.518 2.978 1.00 22.22 C ATOM 891 O GLY A 58 -0.884 -13.730 3.099 1.00 3.34 O ATOM 0 H GLY A 58 1.570 -13.141 5.512 1.00 4.31 H new ATOM 0 HA2 GLY A 58 2.194 -14.412 3.129 1.00 2.33 H new ATOM 0 HA3 GLY A 58 1.410 -15.127 4.524 1.00 2.33 H new ATOM 895 N SER A 59 0.065 -15.596 2.159 1.00 54.15 N ATOM 896 CA SER A 59 -0.983 -15.932 1.161 1.00 5.43 C ATOM 897 C SER A 59 -0.830 -15.055 -0.101 1.00 15.23 C ATOM 898 O SER A 59 -0.628 -15.578 -1.211 1.00 54.53 O ATOM 899 CB SER A 59 -2.427 -15.880 1.741 1.00 42.13 C ATOM 900 OG SER A 59 -2.554 -16.742 2.864 1.00 4.43 O ATOM 0 H SER A 59 0.822 -16.280 2.174 1.00 54.15 H new ATOM 0 HA SER A 59 -0.828 -16.972 0.875 1.00 5.43 H new ATOM 0 HB2 SER A 59 -2.669 -14.858 2.033 1.00 42.13 H new ATOM 0 HB3 SER A 59 -3.143 -16.170 0.972 1.00 42.13 H new ATOM 0 HG SER A 59 -3.468 -16.692 3.213 1.00 4.43 H new ATOM 906 N CYS A 60 -0.900 -13.715 0.078 1.00 72.11 N ATOM 907 CA CYS A 60 -0.690 -12.740 -1.014 1.00 44.52 C ATOM 908 C CYS A 60 0.782 -12.745 -1.481 1.00 21.52 C ATOM 909 O CYS A 60 1.073 -12.518 -2.662 1.00 42.45 O ATOM 910 CB CYS A 60 -1.098 -11.320 -0.569 1.00 24.51 C ATOM 911 SG CYS A 60 -1.072 -10.119 -1.917 1.00 15.02 S ATOM 0 H CYS A 60 -1.103 -13.283 0.979 1.00 72.11 H new ATOM 0 HA CYS A 60 -1.322 -13.038 -1.851 1.00 44.52 H new ATOM 0 HB2 CYS A 60 -2.100 -11.354 -0.140 1.00 24.51 H new ATOM 0 HB3 CYS A 60 -0.425 -10.986 0.220 1.00 24.51 H new ATOM 0 HG CYS A 60 -2.149 -9.393 -1.872 1.00 15.02 H new ATOM 917 N THR A 61 1.703 -13.013 -0.536 1.00 23.21 N ATOM 918 CA THR A 61 3.149 -13.077 -0.810 1.00 11.21 C ATOM 919 C THR A 61 3.562 -14.445 -1.385 1.00 60.14 C ATOM 920 O THR A 61 4.586 -14.556 -2.074 1.00 40.25 O ATOM 921 CB THR A 61 3.963 -12.785 0.485 1.00 43.44 C ATOM 922 OG1 THR A 61 3.585 -13.717 1.511 1.00 42.31 O ATOM 923 CG2 THR A 61 3.741 -11.349 0.986 1.00 0.25 C ATOM 0 H THR A 61 1.464 -13.191 0.439 1.00 23.21 H new ATOM 0 HA THR A 61 3.370 -12.315 -1.557 1.00 11.21 H new ATOM 0 HB THR A 61 5.021 -12.897 0.248 1.00 43.44 H new ATOM 0 HG1 THR A 61 4.099 -13.534 2.325 1.00 42.31 H new ATOM 0 HG21 THR A 61 4.326 -11.185 1.891 1.00 0.25 H new ATOM 0 HG22 THR A 61 4.055 -10.643 0.218 1.00 0.25 H new ATOM 0 HG23 THR A 61 2.684 -11.200 1.205 1.00 0.25 H new ATOM 931 N SER A 62 2.751 -15.480 -1.097 1.00 52.23 N ATOM 932 CA SER A 62 3.019 -16.871 -1.519 1.00 70.22 C ATOM 933 C SER A 62 2.984 -17.011 -3.059 1.00 31.21 C ATOM 934 O SER A 62 3.578 -17.937 -3.624 1.00 73.33 O ATOM 935 CB SER A 62 1.988 -17.813 -0.858 1.00 53.42 C ATOM 936 OG SER A 62 1.902 -17.566 0.536 1.00 12.45 O ATOM 0 H SER A 62 1.888 -15.376 -0.563 1.00 52.23 H new ATOM 0 HA SER A 62 4.022 -17.148 -1.194 1.00 70.22 H new ATOM 0 HB2 SER A 62 1.010 -17.670 -1.318 1.00 53.42 H new ATOM 0 HB3 SER A 62 2.273 -18.851 -1.031 1.00 53.42 H new ATOM 0 HG SER A 62 1.243 -18.171 0.935 1.00 12.45 H new ATOM 942 N CYS A 63 2.281 -16.074 -3.717 1.00 54.34 N ATOM 943 CA CYS A 63 2.173 -16.003 -5.180 1.00 45.33 C ATOM 944 C CYS A 63 2.836 -14.685 -5.672 1.00 41.44 C ATOM 945 O CYS A 63 2.345 -13.601 -5.336 1.00 5.32 O ATOM 946 CB CYS A 63 0.682 -16.070 -5.569 1.00 12.42 C ATOM 947 SG CYS A 63 -0.191 -17.481 -4.851 1.00 23.11 S ATOM 0 H CYS A 63 1.765 -15.335 -3.239 1.00 54.34 H new ATOM 0 HA CYS A 63 2.689 -16.839 -5.653 1.00 45.33 H new ATOM 0 HB2 CYS A 63 0.191 -15.150 -5.252 1.00 12.42 H new ATOM 0 HB3 CYS A 63 0.600 -16.117 -6.655 1.00 12.42 H new ATOM 0 HG CYS A 63 -1.435 -17.458 -5.227 1.00 23.11 H new ATOM 953 N PRO A 64 3.974 -14.756 -6.450 1.00 35.02 N ATOM 954 CA PRO A 64 4.746 -13.548 -6.878 1.00 54.33 C ATOM 955 C PRO A 64 3.921 -12.574 -7.744 1.00 71.41 C ATOM 956 O PRO A 64 4.087 -11.351 -7.637 1.00 74.44 O ATOM 957 CB PRO A 64 5.952 -14.140 -7.661 1.00 34.53 C ATOM 958 CG PRO A 64 5.507 -15.516 -8.075 1.00 2.13 C ATOM 959 CD PRO A 64 4.607 -16.009 -6.960 1.00 73.51 C ATOM 0 HA PRO A 64 5.047 -12.939 -6.026 1.00 54.33 H new ATOM 0 HB2 PRO A 64 6.199 -13.527 -8.528 1.00 34.53 H new ATOM 0 HB3 PRO A 64 6.845 -14.185 -7.037 1.00 34.53 H new ATOM 0 HG2 PRO A 64 4.973 -15.485 -9.025 1.00 2.13 H new ATOM 0 HG3 PRO A 64 6.361 -16.179 -8.211 1.00 2.13 H new ATOM 0 HD2 PRO A 64 3.862 -16.715 -7.327 1.00 73.51 H new ATOM 0 HD3 PRO A 64 5.174 -16.519 -6.181 1.00 73.51 H new ATOM 967 N SER A 65 3.022 -13.124 -8.578 1.00 23.13 N ATOM 968 CA SER A 65 2.131 -12.328 -9.433 1.00 42.35 C ATOM 969 C SER A 65 1.058 -11.595 -8.592 1.00 10.34 C ATOM 970 O SER A 65 0.601 -10.510 -8.978 1.00 0.31 O ATOM 971 CB SER A 65 1.476 -13.233 -10.490 1.00 31.01 C ATOM 972 OG SER A 65 0.576 -12.520 -11.317 1.00 75.44 O ATOM 0 H SER A 65 2.894 -14.131 -8.677 1.00 23.13 H new ATOM 0 HA SER A 65 2.725 -11.568 -9.940 1.00 42.35 H new ATOM 0 HB2 SER A 65 2.251 -13.689 -11.107 1.00 31.01 H new ATOM 0 HB3 SER A 65 0.945 -14.045 -9.993 1.00 31.01 H new ATOM 0 HG SER A 65 0.183 -13.130 -11.975 1.00 75.44 H new ATOM 978 N SER A 66 0.660 -12.191 -7.446 1.00 14.04 N ATOM 979 CA SER A 66 -0.273 -11.555 -6.499 1.00 2.02 C ATOM 980 C SER A 66 0.392 -10.382 -5.755 1.00 23.15 C ATOM 981 O SER A 66 -0.293 -9.425 -5.382 1.00 33.52 O ATOM 982 CB SER A 66 -0.821 -12.589 -5.497 1.00 21.41 C ATOM 983 OG SER A 66 -1.606 -13.581 -6.140 1.00 22.24 O ATOM 0 H SER A 66 0.975 -13.117 -7.157 1.00 14.04 H new ATOM 0 HA SER A 66 -1.106 -11.154 -7.076 1.00 2.02 H new ATOM 0 HB2 SER A 66 0.009 -13.065 -4.975 1.00 21.41 H new ATOM 0 HB3 SER A 66 -1.423 -12.081 -4.743 1.00 21.41 H new ATOM 0 HG SER A 66 -1.935 -14.220 -5.474 1.00 22.24 H new ATOM 989 N ILE A 67 1.725 -10.474 -5.523 1.00 42.21 N ATOM 990 CA ILE A 67 2.517 -9.364 -4.952 1.00 23.51 C ATOM 991 C ILE A 67 2.501 -8.166 -5.927 1.00 74.31 C ATOM 992 O ILE A 67 2.331 -7.016 -5.506 1.00 73.41 O ATOM 993 CB ILE A 67 4.017 -9.769 -4.661 1.00 34.35 C ATOM 994 CG1 ILE A 67 4.104 -11.093 -3.840 1.00 11.02 C ATOM 995 CG2 ILE A 67 4.765 -8.627 -3.926 1.00 4.24 C ATOM 996 CD1 ILE A 67 5.524 -11.578 -3.561 1.00 0.30 C ATOM 0 H ILE A 67 2.273 -11.310 -5.725 1.00 42.21 H new ATOM 0 HA ILE A 67 2.057 -9.100 -4.000 1.00 23.51 H new ATOM 0 HB ILE A 67 4.501 -9.939 -5.623 1.00 34.35 H new ATOM 0 HG12 ILE A 67 3.590 -10.950 -2.889 1.00 11.02 H new ATOM 0 HG13 ILE A 67 3.567 -11.874 -4.378 1.00 11.02 H new ATOM 0 HG21 ILE A 67 5.795 -8.929 -3.737 1.00 4.24 H new ATOM 0 HG22 ILE A 67 4.758 -7.730 -4.545 1.00 4.24 H new ATOM 0 HG23 ILE A 67 4.269 -8.418 -2.978 1.00 4.24 H new ATOM 0 HD11 ILE A 67 5.486 -12.503 -2.986 1.00 0.30 H new ATOM 0 HD12 ILE A 67 6.039 -11.758 -4.505 1.00 0.30 H new ATOM 0 HD13 ILE A 67 6.063 -10.819 -2.993 1.00 0.30 H new ATOM 1008 N ILE A 68 2.673 -8.474 -7.237 1.00 25.14 N ATOM 1009 CA ILE A 68 2.658 -7.471 -8.321 1.00 55.22 C ATOM 1010 C ILE A 68 1.298 -6.743 -8.367 1.00 20.51 C ATOM 1011 O ILE A 68 1.251 -5.522 -8.236 1.00 20.05 O ATOM 1012 CB ILE A 68 2.954 -8.131 -9.725 1.00 21.32 C ATOM 1013 CG1 ILE A 68 4.352 -8.832 -9.733 1.00 3.10 C ATOM 1014 CG2 ILE A 68 2.848 -7.092 -10.873 1.00 2.52 C ATOM 1015 CD1 ILE A 68 4.675 -9.595 -11.014 1.00 51.24 C ATOM 0 H ILE A 68 2.826 -9.427 -7.567 1.00 25.14 H new ATOM 0 HA ILE A 68 3.447 -6.750 -8.108 1.00 55.22 H new ATOM 0 HB ILE A 68 2.193 -8.893 -9.897 1.00 21.32 H new ATOM 0 HG12 ILE A 68 5.122 -8.078 -9.571 1.00 3.10 H new ATOM 0 HG13 ILE A 68 4.401 -9.524 -8.892 1.00 3.10 H new ATOM 0 HG21 ILE A 68 3.058 -7.579 -11.825 1.00 2.52 H new ATOM 0 HG22 ILE A 68 1.842 -6.673 -10.893 1.00 2.52 H new ATOM 0 HG23 ILE A 68 3.570 -6.292 -10.708 1.00 2.52 H new ATOM 0 HD11 ILE A 68 5.663 -10.048 -10.929 1.00 51.24 H new ATOM 0 HD12 ILE A 68 3.930 -10.376 -11.170 1.00 51.24 H new ATOM 0 HD13 ILE A 68 4.663 -8.908 -11.860 1.00 51.24 H new ATOM 1027 N THR A 69 0.202 -7.525 -8.507 1.00 10.40 N ATOM 1028 CA THR A 69 -1.168 -6.993 -8.648 1.00 1.10 C ATOM 1029 C THR A 69 -1.563 -6.140 -7.428 1.00 12.40 C ATOM 1030 O THR A 69 -2.171 -5.069 -7.581 1.00 5.12 O ATOM 1031 CB THR A 69 -2.201 -8.154 -8.845 1.00 11.41 C ATOM 1032 OG1 THR A 69 -1.756 -9.020 -9.901 1.00 20.35 O ATOM 1033 CG2 THR A 69 -3.609 -7.632 -9.186 1.00 72.24 C ATOM 0 H THR A 69 0.246 -8.544 -8.525 1.00 10.40 H new ATOM 0 HA THR A 69 -1.182 -6.357 -9.533 1.00 1.10 H new ATOM 0 HB THR A 69 -2.263 -8.696 -7.901 1.00 11.41 H new ATOM 0 HG1 THR A 69 -1.029 -9.589 -9.573 1.00 20.35 H new ATOM 0 HG21 THR A 69 -4.289 -8.475 -9.313 1.00 72.24 H new ATOM 0 HG22 THR A 69 -3.967 -6.996 -8.377 1.00 72.24 H new ATOM 0 HG23 THR A 69 -3.569 -7.056 -10.110 1.00 72.24 H new ATOM 1041 N LEU A 70 -1.175 -6.620 -6.222 1.00 3.54 N ATOM 1042 CA LEU A 70 -1.426 -5.917 -4.959 1.00 40.42 C ATOM 1043 C LEU A 70 -0.721 -4.553 -4.963 1.00 71.43 C ATOM 1044 O LEU A 70 -1.389 -3.520 -4.946 1.00 71.42 O ATOM 1045 CB LEU A 70 -0.950 -6.782 -3.754 1.00 31.53 C ATOM 1046 CG LEU A 70 -1.051 -6.126 -2.337 1.00 53.04 C ATOM 1047 CD1 LEU A 70 -2.499 -5.765 -1.984 1.00 35.13 C ATOM 1048 CD2 LEU A 70 -0.419 -7.021 -1.253 1.00 72.53 C ATOM 0 H LEU A 70 -0.681 -7.505 -6.107 1.00 3.54 H new ATOM 0 HA LEU A 70 -2.498 -5.750 -4.856 1.00 40.42 H new ATOM 0 HB2 LEU A 70 -1.532 -7.703 -3.745 1.00 31.53 H new ATOM 0 HB3 LEU A 70 0.089 -7.063 -3.926 1.00 31.53 H new ATOM 0 HG LEU A 70 -0.481 -5.198 -2.371 1.00 53.04 H new ATOM 0 HD11 LEU A 70 -2.530 -5.312 -0.993 1.00 35.13 H new ATOM 0 HD12 LEU A 70 -2.887 -5.059 -2.718 1.00 35.13 H new ATOM 0 HD13 LEU A 70 -3.111 -6.667 -1.989 1.00 35.13 H new ATOM 0 HD21 LEU A 70 -0.507 -6.534 -0.282 1.00 72.53 H new ATOM 0 HD22 LEU A 70 -0.936 -7.980 -1.226 1.00 72.53 H new ATOM 0 HD23 LEU A 70 0.634 -7.183 -1.483 1.00 72.53 H new ATOM 1060 N LYS A 71 0.623 -4.590 -5.065 1.00 33.22 N ATOM 1061 CA LYS A 71 1.496 -3.400 -4.960 1.00 30.24 C ATOM 1062 C LYS A 71 1.139 -2.337 -6.020 1.00 42.31 C ATOM 1063 O LYS A 71 1.120 -1.142 -5.723 1.00 75.43 O ATOM 1064 CB LYS A 71 2.990 -3.861 -5.059 1.00 4.01 C ATOM 1065 CG LYS A 71 4.062 -2.742 -4.916 1.00 21.42 C ATOM 1066 CD LYS A 71 4.450 -2.061 -6.250 1.00 74.22 C ATOM 1067 CE LYS A 71 5.268 -2.974 -7.166 1.00 32.31 C ATOM 1068 NZ LYS A 71 6.574 -3.341 -6.549 1.00 43.22 N ATOM 0 H LYS A 71 1.139 -5.455 -5.224 1.00 33.22 H new ATOM 0 HA LYS A 71 1.341 -2.918 -3.995 1.00 30.24 H new ATOM 0 HB2 LYS A 71 3.170 -4.609 -4.287 1.00 4.01 H new ATOM 0 HB3 LYS A 71 3.134 -4.354 -6.021 1.00 4.01 H new ATOM 0 HG2 LYS A 71 3.689 -1.983 -4.229 1.00 21.42 H new ATOM 0 HG3 LYS A 71 4.958 -3.168 -4.465 1.00 21.42 H new ATOM 0 HD2 LYS A 71 3.544 -1.749 -6.770 1.00 74.22 H new ATOM 0 HD3 LYS A 71 5.023 -1.158 -6.039 1.00 74.22 H new ATOM 0 HE2 LYS A 71 4.699 -3.879 -7.381 1.00 32.31 H new ATOM 0 HE3 LYS A 71 5.443 -2.473 -8.118 1.00 32.31 H new ATOM 0 HZ1 LYS A 71 7.196 -3.754 -7.273 1.00 43.22 H new ATOM 0 HZ2 LYS A 71 7.022 -2.490 -6.152 1.00 43.22 H new ATOM 0 HZ3 LYS A 71 6.417 -4.035 -5.791 1.00 43.22 H new ATOM 1082 N ASN A 72 0.875 -2.801 -7.253 1.00 21.24 N ATOM 1083 CA ASN A 72 0.503 -1.940 -8.398 1.00 70.35 C ATOM 1084 C ASN A 72 -0.856 -1.267 -8.176 1.00 61.05 C ATOM 1085 O ASN A 72 -1.023 -0.091 -8.499 1.00 25.31 O ATOM 1086 CB ASN A 72 0.501 -2.762 -9.725 1.00 75.21 C ATOM 1087 CG ASN A 72 1.903 -3.105 -10.242 1.00 4.04 C ATOM 1088 OD1 ASN A 72 2.849 -3.270 -9.469 1.00 5.53 O ATOM 1089 ND2 ASN A 72 2.048 -3.214 -11.558 1.00 44.22 N ATOM 0 H ASN A 72 0.913 -3.793 -7.489 1.00 21.24 H new ATOM 0 HA ASN A 72 1.252 -1.152 -8.478 1.00 70.35 H new ATOM 0 HB2 ASN A 72 -0.055 -3.687 -9.568 1.00 75.21 H new ATOM 0 HB3 ASN A 72 -0.030 -2.197 -10.491 1.00 75.21 H new ATOM 0 HD21 ASN A 72 2.961 -3.440 -11.954 1.00 44.22 H new ATOM 0 HD22 ASN A 72 1.247 -3.072 -12.173 1.00 44.22 H new ATOM 1096 N GLY A 73 -1.816 -2.024 -7.625 1.00 12.41 N ATOM 1097 CA GLY A 73 -3.152 -1.499 -7.346 1.00 22.31 C ATOM 1098 C GLY A 73 -3.133 -0.419 -6.270 1.00 21.13 C ATOM 1099 O GLY A 73 -3.772 0.638 -6.420 1.00 41.14 O ATOM 0 H GLY A 73 -1.688 -3.002 -7.365 1.00 12.41 H new ATOM 0 HA2 GLY A 73 -3.578 -1.090 -8.262 1.00 22.31 H new ATOM 0 HA3 GLY A 73 -3.802 -2.314 -7.029 1.00 22.31 H new ATOM 1103 N ILE A 74 -2.364 -0.698 -5.195 1.00 15.15 N ATOM 1104 CA ILE A 74 -2.105 0.243 -4.093 1.00 21.12 C ATOM 1105 C ILE A 74 -1.464 1.526 -4.648 1.00 2.42 C ATOM 1106 O ILE A 74 -1.871 2.635 -4.306 1.00 53.31 O ATOM 1107 CB ILE A 74 -1.127 -0.389 -3.026 1.00 61.10 C ATOM 1108 CG1 ILE A 74 -1.706 -1.701 -2.418 1.00 44.23 C ATOM 1109 CG2 ILE A 74 -0.776 0.624 -1.914 1.00 51.31 C ATOM 1110 CD1 ILE A 74 -0.756 -2.437 -1.479 1.00 74.45 C ATOM 0 H ILE A 74 -1.901 -1.598 -5.070 1.00 15.15 H new ATOM 0 HA ILE A 74 -3.057 0.470 -3.613 1.00 21.12 H new ATOM 0 HB ILE A 74 -0.207 -0.647 -3.550 1.00 61.10 H new ATOM 0 HG12 ILE A 74 -2.620 -1.462 -1.875 1.00 44.23 H new ATOM 0 HG13 ILE A 74 -1.984 -2.371 -3.231 1.00 44.23 H new ATOM 0 HG21 ILE A 74 -0.101 0.157 -1.196 1.00 51.31 H new ATOM 0 HG22 ILE A 74 -0.291 1.495 -2.355 1.00 51.31 H new ATOM 0 HG23 ILE A 74 -1.688 0.936 -1.405 1.00 51.31 H new ATOM 0 HD11 ILE A 74 -1.241 -3.338 -1.103 1.00 74.45 H new ATOM 0 HD12 ILE A 74 0.150 -2.712 -2.020 1.00 74.45 H new ATOM 0 HD13 ILE A 74 -0.496 -1.788 -0.642 1.00 74.45 H new ATOM 1122 N GLN A 75 -0.468 1.317 -5.525 1.00 3.23 N ATOM 1123 CA GLN A 75 0.346 2.381 -6.118 1.00 10.24 C ATOM 1124 C GLN A 75 -0.529 3.355 -6.903 1.00 44.22 C ATOM 1125 O GLN A 75 -0.569 4.530 -6.570 1.00 61.41 O ATOM 1126 CB GLN A 75 1.435 1.761 -7.025 1.00 0.51 C ATOM 1127 CG GLN A 75 2.442 2.770 -7.608 1.00 44.10 C ATOM 1128 CD GLN A 75 3.502 2.148 -8.516 1.00 75.40 C ATOM 1129 OE1 GLN A 75 3.995 2.792 -9.443 1.00 23.24 O ATOM 1130 NE2 GLN A 75 3.885 0.904 -8.250 1.00 15.55 N ATOM 0 H GLN A 75 -0.204 0.385 -5.845 1.00 3.23 H new ATOM 0 HA GLN A 75 0.833 2.942 -5.320 1.00 10.24 H new ATOM 0 HB2 GLN A 75 1.982 1.013 -6.452 1.00 0.51 H new ATOM 0 HB3 GLN A 75 0.948 1.238 -7.848 1.00 0.51 H new ATOM 0 HG2 GLN A 75 1.896 3.526 -8.172 1.00 44.10 H new ATOM 0 HG3 GLN A 75 2.941 3.284 -6.786 1.00 44.10 H new ATOM 0 HE21 GLN A 75 3.460 0.394 -7.476 1.00 15.55 H new ATOM 0 HE22 GLN A 75 4.604 0.459 -8.820 1.00 15.55 H new ATOM 1139 N ASN A 76 -1.273 2.828 -7.891 1.00 70.02 N ATOM 1140 CA ASN A 76 -2.121 3.633 -8.790 1.00 32.03 C ATOM 1141 C ASN A 76 -3.234 4.370 -8.017 1.00 45.34 C ATOM 1142 O ASN A 76 -3.622 5.483 -8.387 1.00 4.42 O ATOM 1143 CB ASN A 76 -2.733 2.733 -9.896 1.00 10.14 C ATOM 1144 CG ASN A 76 -1.698 2.008 -10.770 1.00 32.24 C ATOM 1145 OD1 ASN A 76 -1.952 0.902 -11.253 1.00 62.32 O ATOM 1146 ND2 ASN A 76 -0.526 2.602 -10.989 1.00 72.50 N ATOM 0 H ASN A 76 -1.304 1.828 -8.090 1.00 70.02 H new ATOM 0 HA ASN A 76 -1.489 4.390 -9.255 1.00 32.03 H new ATOM 0 HB2 ASN A 76 -3.378 1.990 -9.427 1.00 10.14 H new ATOM 0 HB3 ASN A 76 -3.366 3.346 -10.537 1.00 10.14 H new ATOM 0 HD21 ASN A 76 0.179 2.142 -11.565 1.00 72.50 H new ATOM 0 HD22 ASN A 76 -0.334 3.517 -10.581 1.00 72.50 H new ATOM 1153 N MET A 77 -3.730 3.731 -6.933 1.00 75.31 N ATOM 1154 CA MET A 77 -4.726 4.335 -6.026 1.00 14.33 C ATOM 1155 C MET A 77 -4.128 5.583 -5.344 1.00 3.42 C ATOM 1156 O MET A 77 -4.692 6.678 -5.426 1.00 72.53 O ATOM 1157 CB MET A 77 -5.151 3.304 -4.945 1.00 12.23 C ATOM 1158 CG MET A 77 -6.299 3.769 -4.029 1.00 54.41 C ATOM 1159 SD MET A 77 -6.446 2.766 -2.535 1.00 11.35 S ATOM 1160 CE MET A 77 -4.979 3.264 -1.633 1.00 34.45 C ATOM 0 H MET A 77 -3.451 2.787 -6.665 1.00 75.31 H new ATOM 0 HA MET A 77 -5.601 4.628 -6.607 1.00 14.33 H new ATOM 0 HB2 MET A 77 -5.451 2.381 -5.441 1.00 12.23 H new ATOM 0 HB3 MET A 77 -4.285 3.067 -4.327 1.00 12.23 H new ATOM 0 HG2 MET A 77 -6.136 4.810 -3.749 1.00 54.41 H new ATOM 0 HG3 MET A 77 -7.238 3.731 -4.582 1.00 54.41 H new ATOM 0 HE1 MET A 77 -5.079 2.974 -0.587 1.00 34.45 H new ATOM 0 HE2 MET A 77 -4.104 2.776 -2.063 1.00 34.45 H new ATOM 0 HE3 MET A 77 -4.860 4.345 -1.700 1.00 34.45 H new ATOM 1170 N LEU A 78 -2.955 5.393 -4.707 1.00 60.12 N ATOM 1171 CA LEU A 78 -2.242 6.454 -3.969 1.00 24.40 C ATOM 1172 C LEU A 78 -1.725 7.552 -4.925 1.00 55.10 C ATOM 1173 O LEU A 78 -1.620 8.699 -4.529 1.00 62.35 O ATOM 1174 CB LEU A 78 -1.060 5.841 -3.164 1.00 64.52 C ATOM 1175 CG LEU A 78 -1.441 4.903 -1.978 1.00 41.24 C ATOM 1176 CD1 LEU A 78 -0.194 4.228 -1.379 1.00 12.33 C ATOM 1177 CD2 LEU A 78 -2.231 5.664 -0.896 1.00 71.54 C ATOM 0 H LEU A 78 -2.473 4.494 -4.690 1.00 60.12 H new ATOM 0 HA LEU A 78 -2.945 6.917 -3.277 1.00 24.40 H new ATOM 0 HB2 LEU A 78 -0.431 5.280 -3.855 1.00 64.52 H new ATOM 0 HB3 LEU A 78 -0.454 6.658 -2.772 1.00 64.52 H new ATOM 0 HG LEU A 78 -2.087 4.119 -2.373 1.00 41.24 H new ATOM 0 HD11 LEU A 78 -0.492 3.580 -0.554 1.00 12.33 H new ATOM 0 HD12 LEU A 78 0.302 3.634 -2.146 1.00 12.33 H new ATOM 0 HD13 LEU A 78 0.492 4.991 -1.012 1.00 12.33 H new ATOM 0 HD21 LEU A 78 -2.482 4.983 -0.083 1.00 71.54 H new ATOM 0 HD22 LEU A 78 -1.623 6.482 -0.510 1.00 71.54 H new ATOM 0 HD23 LEU A 78 -3.147 6.065 -1.329 1.00 71.54 H new ATOM 1189 N GLN A 79 -1.422 7.179 -6.184 1.00 24.44 N ATOM 1190 CA GLN A 79 -0.943 8.122 -7.219 1.00 52.22 C ATOM 1191 C GLN A 79 -2.078 9.045 -7.685 1.00 73.13 C ATOM 1192 O GLN A 79 -1.826 10.196 -8.058 1.00 63.13 O ATOM 1193 CB GLN A 79 -0.344 7.358 -8.436 1.00 34.41 C ATOM 1194 CG GLN A 79 1.020 6.699 -8.160 1.00 12.42 C ATOM 1195 CD GLN A 79 1.546 5.866 -9.330 1.00 65.32 C ATOM 1196 OE1 GLN A 79 0.775 5.282 -10.096 1.00 43.34 O ATOM 1197 NE2 GLN A 79 2.860 5.783 -9.466 1.00 14.33 N ATOM 0 H GLN A 79 -1.502 6.217 -6.514 1.00 24.44 H new ATOM 0 HA GLN A 79 -0.158 8.732 -6.772 1.00 52.22 H new ATOM 0 HB2 GLN A 79 -1.049 6.589 -8.750 1.00 34.41 H new ATOM 0 HB3 GLN A 79 -0.237 8.052 -9.269 1.00 34.41 H new ATOM 0 HG2 GLN A 79 1.747 7.475 -7.922 1.00 12.42 H new ATOM 0 HG3 GLN A 79 0.934 6.061 -7.280 1.00 12.42 H new ATOM 0 HE21 GLN A 79 3.472 6.277 -8.817 1.00 14.33 H new ATOM 0 HE22 GLN A 79 3.260 5.225 -10.220 1.00 14.33 H new ATOM 1206 N PHE A 80 -3.324 8.522 -7.665 1.00 52.21 N ATOM 1207 CA PHE A 80 -4.518 9.289 -8.063 1.00 74.30 C ATOM 1208 C PHE A 80 -4.748 10.461 -7.094 1.00 53.14 C ATOM 1209 O PHE A 80 -4.948 11.607 -7.512 1.00 65.22 O ATOM 1210 CB PHE A 80 -5.763 8.361 -8.096 1.00 51.52 C ATOM 1211 CG PHE A 80 -7.049 9.044 -8.571 1.00 71.41 C ATOM 1212 CD1 PHE A 80 -7.307 9.201 -9.936 1.00 21.41 C ATOM 1213 CD2 PHE A 80 -7.990 9.547 -7.664 1.00 2.51 C ATOM 1214 CE1 PHE A 80 -8.456 9.834 -10.374 1.00 42.11 C ATOM 1215 CE2 PHE A 80 -9.138 10.177 -8.107 1.00 3.14 C ATOM 1216 CZ PHE A 80 -9.369 10.322 -9.460 1.00 3.05 C ATOM 0 H PHE A 80 -3.526 7.565 -7.375 1.00 52.21 H new ATOM 0 HA PHE A 80 -4.358 9.694 -9.062 1.00 74.30 H new ATOM 0 HB2 PHE A 80 -5.553 7.515 -8.750 1.00 51.52 H new ATOM 0 HB3 PHE A 80 -5.928 7.959 -7.096 1.00 51.52 H new ATOM 0 HD1 PHE A 80 -6.599 8.823 -10.659 1.00 21.41 H new ATOM 0 HD2 PHE A 80 -7.816 9.441 -6.603 1.00 2.51 H new ATOM 0 HE1 PHE A 80 -8.639 9.947 -11.432 1.00 42.11 H new ATOM 0 HE2 PHE A 80 -9.855 10.556 -7.394 1.00 3.14 H new ATOM 0 HZ PHE A 80 -10.265 10.818 -9.804 1.00 3.05 H new ATOM 1226 N TYR A 81 -4.701 10.142 -5.795 1.00 21.35 N ATOM 1227 CA TYR A 81 -4.953 11.110 -4.723 1.00 65.14 C ATOM 1228 C TYR A 81 -3.715 11.988 -4.458 1.00 51.43 C ATOM 1229 O TYR A 81 -3.835 13.189 -4.197 1.00 62.41 O ATOM 1230 CB TYR A 81 -5.344 10.359 -3.424 1.00 52.22 C ATOM 1231 CG TYR A 81 -6.617 9.516 -3.534 1.00 25.22 C ATOM 1232 CD1 TYR A 81 -7.860 10.122 -3.724 1.00 4.52 C ATOM 1233 CD2 TYR A 81 -6.582 8.122 -3.438 1.00 62.21 C ATOM 1234 CE1 TYR A 81 -9.014 9.374 -3.804 1.00 54.52 C ATOM 1235 CE2 TYR A 81 -7.736 7.367 -3.521 1.00 25.42 C ATOM 1236 CZ TYR A 81 -8.948 7.998 -3.709 1.00 55.21 C ATOM 1237 OH TYR A 81 -10.105 7.255 -3.785 1.00 21.13 O ATOM 0 H TYR A 81 -4.487 9.203 -5.458 1.00 21.35 H new ATOM 0 HA TYR A 81 -5.770 11.759 -5.038 1.00 65.14 H new ATOM 0 HB2 TYR A 81 -4.518 9.710 -3.133 1.00 52.22 H new ATOM 0 HB3 TYR A 81 -5.474 11.088 -2.624 1.00 52.22 H new ATOM 0 HD1 TYR A 81 -7.918 11.197 -3.810 1.00 4.52 H new ATOM 0 HD2 TYR A 81 -5.634 7.625 -3.296 1.00 62.21 H new ATOM 0 HE1 TYR A 81 -9.968 9.862 -3.941 1.00 54.52 H new ATOM 0 HE2 TYR A 81 -7.689 6.291 -3.439 1.00 25.42 H new ATOM 0 HH TYR A 81 -10.757 7.721 -4.349 1.00 21.13 H new ATOM 1247 N ILE A 82 -2.526 11.357 -4.541 1.00 22.40 N ATOM 1248 CA ILE A 82 -1.256 11.923 -4.036 1.00 42.41 C ATOM 1249 C ILE A 82 -0.183 11.900 -5.157 1.00 12.02 C ATOM 1250 O ILE A 82 0.249 10.817 -5.562 1.00 43.41 O ATOM 1251 CB ILE A 82 -0.741 11.103 -2.790 1.00 51.01 C ATOM 1252 CG1 ILE A 82 -1.893 10.872 -1.761 1.00 32.43 C ATOM 1253 CG2 ILE A 82 0.467 11.791 -2.128 1.00 1.05 C ATOM 1254 CD1 ILE A 82 -1.565 9.936 -0.624 1.00 72.21 C ATOM 0 H ILE A 82 -2.418 10.435 -4.963 1.00 22.40 H new ATOM 0 HA ILE A 82 -1.435 12.953 -3.728 1.00 42.41 H new ATOM 0 HB ILE A 82 -0.408 10.128 -3.146 1.00 51.01 H new ATOM 0 HG12 ILE A 82 -2.184 11.836 -1.344 1.00 32.43 H new ATOM 0 HG13 ILE A 82 -2.760 10.481 -2.293 1.00 32.43 H new ATOM 0 HG21 ILE A 82 0.798 11.201 -1.273 1.00 1.05 H new ATOM 0 HG22 ILE A 82 1.280 11.872 -2.849 1.00 1.05 H new ATOM 0 HG23 ILE A 82 0.179 12.787 -1.792 1.00 1.05 H new ATOM 0 HD11 ILE A 82 -2.430 9.844 0.033 1.00 72.21 H new ATOM 0 HD12 ILE A 82 -1.306 8.955 -1.023 1.00 72.21 H new ATOM 0 HD13 ILE A 82 -0.721 10.332 -0.059 1.00 72.21 H new ATOM 1266 N PRO A 83 0.262 13.093 -5.670 1.00 50.24 N ATOM 1267 CA PRO A 83 1.325 13.187 -6.710 1.00 11.31 C ATOM 1268 C PRO A 83 2.736 12.874 -6.159 1.00 14.53 C ATOM 1269 O PRO A 83 3.696 12.744 -6.925 1.00 64.01 O ATOM 1270 CB PRO A 83 1.221 14.661 -7.221 1.00 32.04 C ATOM 1271 CG PRO A 83 -0.010 15.241 -6.566 1.00 73.35 C ATOM 1272 CD PRO A 83 -0.227 14.447 -5.301 1.00 51.12 C ATOM 0 HA PRO A 83 1.181 12.451 -7.501 1.00 11.31 H new ATOM 0 HB2 PRO A 83 2.111 15.231 -6.953 1.00 32.04 H new ATOM 0 HB3 PRO A 83 1.137 14.693 -8.307 1.00 32.04 H new ATOM 0 HG2 PRO A 83 0.130 16.299 -6.343 1.00 73.35 H new ATOM 0 HG3 PRO A 83 -0.874 15.166 -7.226 1.00 73.35 H new ATOM 0 HD2 PRO A 83 0.331 14.863 -4.462 1.00 51.12 H new ATOM 0 HD3 PRO A 83 -1.277 14.431 -5.009 1.00 51.12 H new ATOM 1280 N GLU A 84 2.846 12.752 -4.825 1.00 23.31 N ATOM 1281 CA GLU A 84 4.126 12.486 -4.144 1.00 23.13 C ATOM 1282 C GLU A 84 4.567 11.025 -4.357 1.00 73.54 C ATOM 1283 O GLU A 84 5.764 10.731 -4.400 1.00 53.31 O ATOM 1284 CB GLU A 84 4.001 12.803 -2.625 1.00 74.13 C ATOM 1285 CG GLU A 84 3.276 14.132 -2.294 1.00 63.14 C ATOM 1286 CD GLU A 84 3.912 15.370 -2.947 1.00 54.31 C ATOM 1287 OE1 GLU A 84 4.894 15.907 -2.398 1.00 5.24 O ATOM 1288 OE2 GLU A 84 3.426 15.809 -4.016 1.00 41.14 O ATOM 0 H GLU A 84 2.053 12.835 -4.189 1.00 23.31 H new ATOM 0 HA GLU A 84 4.888 13.135 -4.576 1.00 23.13 H new ATOM 0 HB2 GLU A 84 3.468 11.985 -2.140 1.00 74.13 H new ATOM 0 HB3 GLU A 84 5.001 12.833 -2.191 1.00 74.13 H new ATOM 0 HG2 GLU A 84 2.237 14.057 -2.616 1.00 63.14 H new ATOM 0 HG3 GLU A 84 3.266 14.269 -1.213 1.00 63.14 H new ATOM 1295 N VAL A 85 3.575 10.125 -4.502 1.00 3.51 N ATOM 1296 CA VAL A 85 3.797 8.678 -4.610 1.00 23.22 C ATOM 1297 C VAL A 85 4.374 8.306 -5.994 1.00 41.53 C ATOM 1298 O VAL A 85 3.649 8.257 -6.989 1.00 13.23 O ATOM 1299 CB VAL A 85 2.463 7.891 -4.322 1.00 33.30 C ATOM 1300 CG1 VAL A 85 2.659 6.359 -4.464 1.00 11.11 C ATOM 1301 CG2 VAL A 85 1.914 8.257 -2.921 1.00 62.42 C ATOM 0 H VAL A 85 2.591 10.389 -4.547 1.00 3.51 H new ATOM 0 HA VAL A 85 4.531 8.389 -3.858 1.00 23.22 H new ATOM 0 HB VAL A 85 1.729 8.190 -5.070 1.00 33.30 H new ATOM 0 HG11 VAL A 85 1.717 5.851 -4.258 1.00 11.11 H new ATOM 0 HG12 VAL A 85 2.982 6.126 -5.479 1.00 11.11 H new ATOM 0 HG13 VAL A 85 3.416 6.022 -3.756 1.00 11.11 H new ATOM 0 HG21 VAL A 85 0.992 7.706 -2.736 1.00 62.42 H new ATOM 0 HG22 VAL A 85 2.651 7.996 -2.162 1.00 62.42 H new ATOM 0 HG23 VAL A 85 1.712 9.327 -2.878 1.00 62.42 H new ATOM 1311 N GLU A 86 5.700 8.119 -6.043 1.00 11.12 N ATOM 1312 CA GLU A 86 6.405 7.602 -7.227 1.00 73.21 C ATOM 1313 C GLU A 86 6.117 6.106 -7.415 1.00 11.10 C ATOM 1314 O GLU A 86 5.912 5.631 -8.539 1.00 44.23 O ATOM 1315 CB GLU A 86 7.931 7.857 -7.096 1.00 1.11 C ATOM 1316 CG GLU A 86 8.315 9.352 -7.045 1.00 23.44 C ATOM 1317 CD GLU A 86 7.868 10.132 -8.300 1.00 34.31 C ATOM 1318 OE1 GLU A 86 8.486 9.950 -9.374 1.00 11.35 O ATOM 1319 OE2 GLU A 86 6.891 10.914 -8.222 1.00 74.35 O ATOM 0 H GLU A 86 6.319 8.323 -5.258 1.00 11.12 H new ATOM 0 HA GLU A 86 6.041 8.130 -8.108 1.00 73.21 H new ATOM 0 HB2 GLU A 86 8.295 7.368 -6.192 1.00 1.11 H new ATOM 0 HB3 GLU A 86 8.441 7.390 -7.939 1.00 1.11 H new ATOM 0 HG2 GLU A 86 7.866 9.807 -6.162 1.00 23.44 H new ATOM 0 HG3 GLU A 86 9.396 9.440 -6.935 1.00 23.44 H new ATOM 1326 N GLY A 87 6.069 5.387 -6.289 1.00 41.40 N ATOM 1327 CA GLY A 87 5.852 3.946 -6.299 1.00 4.33 C ATOM 1328 C GLY A 87 5.532 3.401 -4.923 1.00 53.24 C ATOM 1329 O GLY A 87 5.380 4.162 -3.963 1.00 11.32 O ATOM 0 H GLY A 87 6.179 5.787 -5.357 1.00 41.40 H new ATOM 0 HA2 GLY A 87 5.034 3.709 -6.980 1.00 4.33 H new ATOM 0 HA3 GLY A 87 6.742 3.450 -6.685 1.00 4.33 H new ATOM 1333 N VAL A 88 5.406 2.068 -4.846 1.00 21.11 N ATOM 1334 CA VAL A 88 5.202 1.309 -3.592 1.00 44.12 C ATOM 1335 C VAL A 88 6.238 0.160 -3.558 1.00 40.31 C ATOM 1336 O VAL A 88 6.608 -0.377 -4.608 1.00 51.14 O ATOM 1337 CB VAL A 88 3.716 0.755 -3.475 1.00 61.23 C ATOM 1338 CG1 VAL A 88 3.519 -0.175 -2.249 1.00 4.40 C ATOM 1339 CG2 VAL A 88 2.697 1.917 -3.435 1.00 74.42 C ATOM 0 H VAL A 88 5.443 1.469 -5.671 1.00 21.11 H new ATOM 0 HA VAL A 88 5.347 1.967 -2.736 1.00 44.12 H new ATOM 0 HB VAL A 88 3.538 0.154 -4.367 1.00 61.23 H new ATOM 0 HG11 VAL A 88 2.487 -0.524 -2.219 1.00 4.40 H new ATOM 0 HG12 VAL A 88 4.189 -1.031 -2.330 1.00 4.40 H new ATOM 0 HG13 VAL A 88 3.743 0.375 -1.335 1.00 4.40 H new ATOM 0 HG21 VAL A 88 1.688 1.513 -3.355 1.00 74.42 H new ATOM 0 HG22 VAL A 88 2.903 2.552 -2.574 1.00 74.42 H new ATOM 0 HG23 VAL A 88 2.781 2.506 -4.348 1.00 74.42 H new ATOM 1349 N GLU A 89 6.722 -0.202 -2.367 1.00 30.30 N ATOM 1350 CA GLU A 89 7.753 -1.245 -2.196 1.00 52.11 C ATOM 1351 C GLU A 89 7.372 -2.158 -1.033 1.00 52.03 C ATOM 1352 O GLU A 89 6.851 -1.688 -0.026 1.00 14.45 O ATOM 1353 CB GLU A 89 9.127 -0.579 -1.945 1.00 51.31 C ATOM 1354 CG GLU A 89 10.309 -1.549 -1.769 1.00 1.32 C ATOM 1355 CD GLU A 89 11.636 -0.818 -1.529 1.00 4.40 C ATOM 1356 OE1 GLU A 89 11.808 -0.234 -0.443 1.00 22.12 O ATOM 1357 OE2 GLU A 89 12.508 -0.806 -2.428 1.00 3.44 O ATOM 0 H GLU A 89 6.414 0.217 -1.489 1.00 30.30 H new ATOM 0 HA GLU A 89 7.820 -1.849 -3.101 1.00 52.11 H new ATOM 0 HB2 GLU A 89 9.347 0.087 -2.780 1.00 51.31 H new ATOM 0 HB3 GLU A 89 9.053 0.042 -1.052 1.00 51.31 H new ATOM 0 HG2 GLU A 89 10.107 -2.214 -0.930 1.00 1.32 H new ATOM 0 HG3 GLU A 89 10.397 -2.174 -2.657 1.00 1.32 H new ATOM 1364 N GLN A 90 7.629 -3.465 -1.186 1.00 31.51 N ATOM 1365 CA GLN A 90 7.449 -4.444 -0.111 1.00 21.33 C ATOM 1366 C GLN A 90 8.707 -4.448 0.772 1.00 62.32 C ATOM 1367 O GLN A 90 9.817 -4.672 0.278 1.00 51.30 O ATOM 1368 CB GLN A 90 7.198 -5.857 -0.693 1.00 35.41 C ATOM 1369 CG GLN A 90 7.111 -6.970 0.371 1.00 3.40 C ATOM 1370 CD GLN A 90 6.847 -8.361 -0.200 1.00 21.34 C ATOM 1371 OE1 GLN A 90 7.195 -8.666 -1.341 1.00 42.34 O ATOM 1372 NE2 GLN A 90 6.268 -9.233 0.607 1.00 12.31 N ATOM 0 H GLN A 90 7.967 -3.870 -2.059 1.00 31.51 H new ATOM 0 HA GLN A 90 6.580 -4.169 0.486 1.00 21.33 H new ATOM 0 HB2 GLN A 90 6.270 -5.843 -1.265 1.00 35.41 H new ATOM 0 HB3 GLN A 90 8.000 -6.098 -1.391 1.00 35.41 H new ATOM 0 HG2 GLN A 90 8.043 -6.992 0.935 1.00 3.40 H new ATOM 0 HG3 GLN A 90 6.318 -6.722 1.076 1.00 3.40 H new ATOM 0 HE21 GLN A 90 5.990 -8.952 1.547 1.00 12.31 H new ATOM 0 HE22 GLN A 90 6.099 -10.187 0.290 1.00 12.31 H new ATOM 1381 N VAL A 91 8.515 -4.171 2.070 1.00 43.24 N ATOM 1382 CA VAL A 91 9.586 -4.133 3.076 1.00 33.14 C ATOM 1383 C VAL A 91 9.233 -5.077 4.239 1.00 2.03 C ATOM 1384 O VAL A 91 8.170 -4.948 4.854 1.00 21.12 O ATOM 1385 CB VAL A 91 9.824 -2.673 3.622 1.00 73.34 C ATOM 1386 CG1 VAL A 91 10.562 -1.802 2.584 1.00 2.14 C ATOM 1387 CG2 VAL A 91 8.504 -1.999 4.049 1.00 13.42 C ATOM 0 H VAL A 91 7.594 -3.963 2.457 1.00 43.24 H new ATOM 0 HA VAL A 91 10.509 -4.461 2.598 1.00 33.14 H new ATOM 0 HB VAL A 91 10.454 -2.763 4.507 1.00 73.34 H new ATOM 0 HG11 VAL A 91 10.712 -0.801 2.989 1.00 2.14 H new ATOM 0 HG12 VAL A 91 11.529 -2.249 2.356 1.00 2.14 H new ATOM 0 HG13 VAL A 91 9.967 -1.739 1.673 1.00 2.14 H new ATOM 0 HG21 VAL A 91 8.711 -0.995 4.419 1.00 13.42 H new ATOM 0 HG22 VAL A 91 7.833 -1.939 3.192 1.00 13.42 H new ATOM 0 HG23 VAL A 91 8.034 -2.587 4.838 1.00 13.42 H new