USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 583 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 Single : A 23 SER OG : rot -102:sc= 0.414 USER MOD Single : A 31 TYR OH : rot 84:sc= 0.196 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0622 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= -0.0909 (180deg=-2.01!) USER MOD Single : A 51 GLN : amide:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 52 TYR OH : rot 139:sc= -1.04 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 72 ASN : amide:sc= -4.77! K(o=-4.8!,f=-0.0079) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -160:sc= -3.35! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -77:sc= 1.24 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 246 N GLU A 20 17.960 27.134 -17.851 1.00 25.51 N ATOM 247 CA GLU A 20 17.196 27.311 -16.622 1.00 52.42 C ATOM 248 C GLU A 20 15.991 28.218 -16.857 1.00 42.25 C ATOM 249 O GLU A 20 15.970 29.382 -16.455 1.00 61.34 O ATOM 250 CB GLU A 20 18.084 27.899 -15.523 1.00 55.33 C ATOM 251 CG GLU A 20 18.808 29.168 -15.940 1.00 65.02 C ATOM 252 CD GLU A 20 19.984 29.491 -15.038 1.00 52.43 C ATOM 253 OE1 GLU A 20 20.932 28.681 -14.987 1.00 63.53 O ATOM 254 OE2 GLU A 20 19.955 30.554 -14.384 1.00 2.42 O ATOM 0 HA GLU A 20 16.837 26.332 -16.304 1.00 52.42 H new ATOM 0 HB2 GLU A 20 17.471 28.112 -14.647 1.00 55.33 H new ATOM 0 HB3 GLU A 20 18.820 27.153 -15.224 1.00 55.33 H new ATOM 0 HG2 GLU A 20 19.160 29.061 -16.966 1.00 65.02 H new ATOM 0 HG3 GLU A 20 18.107 30.002 -15.929 1.00 65.02 H new ATOM 261 N PRO A 21 14.963 27.674 -17.526 1.00 2.15 N ATOM 262 CA PRO A 21 13.736 28.416 -17.830 1.00 72.41 C ATOM 263 C PRO A 21 12.904 28.697 -16.583 1.00 61.14 C ATOM 264 O PRO A 21 12.367 29.791 -16.418 1.00 12.13 O ATOM 265 CB PRO A 21 12.981 27.479 -18.776 1.00 71.43 C ATOM 266 CG PRO A 21 13.483 26.117 -18.441 1.00 34.44 C ATOM 267 CD PRO A 21 14.920 26.293 -18.035 1.00 14.04 C ATOM 0 HA PRO A 21 13.948 29.396 -18.257 1.00 72.41 H new ATOM 0 HB2 PRO A 21 11.904 27.551 -18.628 1.00 71.43 H new ATOM 0 HB3 PRO A 21 13.177 27.728 -19.819 1.00 71.43 H new ATOM 0 HG2 PRO A 21 12.901 25.674 -17.633 1.00 34.44 H new ATOM 0 HG3 PRO A 21 13.399 25.448 -19.298 1.00 34.44 H new ATOM 0 HD2 PRO A 21 15.213 25.573 -17.270 1.00 14.04 H new ATOM 0 HD3 PRO A 21 15.596 26.154 -18.879 1.00 14.04 H new ATOM 275 N GLY A 22 12.802 27.701 -15.708 1.00 4.20 N ATOM 276 CA GLY A 22 12.035 27.862 -14.487 1.00 54.31 C ATOM 277 C GLY A 22 12.636 28.896 -13.556 1.00 51.52 C ATOM 278 O GLY A 22 11.977 29.362 -12.626 1.00 43.34 O ATOM 0 H GLY A 22 13.237 26.786 -15.823 1.00 4.20 H new ATOM 0 HA2 GLY A 22 11.015 28.153 -14.738 1.00 54.31 H new ATOM 0 HA3 GLY A 22 11.975 26.904 -13.971 1.00 54.31 H new ATOM 282 N SER A 23 13.891 29.256 -13.805 1.00 62.30 N ATOM 283 CA SER A 23 14.584 30.237 -12.978 1.00 54.44 C ATOM 284 C SER A 23 13.750 31.506 -12.829 1.00 50.41 C ATOM 285 O SER A 23 13.090 31.943 -13.771 1.00 12.42 O ATOM 286 CB SER A 23 15.946 30.577 -13.586 1.00 51.10 C ATOM 287 OG SER A 23 15.826 31.582 -14.578 1.00 73.21 O ATOM 0 H SER A 23 14.449 28.883 -14.573 1.00 62.30 H new ATOM 0 HA SER A 23 14.734 29.802 -11.990 1.00 54.44 H new ATOM 0 HB2 SER A 23 16.623 30.915 -12.802 1.00 51.10 H new ATOM 0 HB3 SER A 23 16.386 29.681 -14.023 1.00 51.10 H new ATOM 0 HG SER A 23 15.871 31.171 -15.467 1.00 73.21 H new ATOM 293 N GLY A 24 13.786 32.094 -11.637 1.00 31.12 N ATOM 294 CA GLY A 24 13.030 33.307 -11.384 1.00 62.23 C ATOM 295 C GLY A 24 12.062 33.156 -10.228 1.00 13.40 C ATOM 296 O GLY A 24 11.051 33.856 -10.160 1.00 1.01 O ATOM 0 H GLY A 24 14.325 31.752 -10.842 1.00 31.12 H new ATOM 0 HA2 GLY A 24 13.720 34.124 -11.172 1.00 62.23 H new ATOM 0 HA3 GLY A 24 12.478 33.581 -12.283 1.00 62.23 H new ATOM 300 N VAL A 25 12.369 32.239 -9.316 1.00 2.40 N ATOM 301 CA VAL A 25 11.518 31.999 -8.157 1.00 21.51 C ATOM 302 C VAL A 25 12.352 31.701 -6.916 1.00 35.44 C ATOM 303 O VAL A 25 13.517 31.316 -7.015 1.00 74.44 O ATOM 304 CB VAL A 25 10.550 30.827 -8.405 1.00 70.43 C ATOM 305 CG1 VAL A 25 9.427 30.835 -7.379 1.00 62.31 C ATOM 306 CG2 VAL A 25 9.992 30.888 -9.819 1.00 72.30 C ATOM 0 H VAL A 25 13.201 31.650 -9.358 1.00 2.40 H new ATOM 0 HA VAL A 25 10.941 32.909 -7.994 1.00 21.51 H new ATOM 0 HB VAL A 25 11.102 29.893 -8.296 1.00 70.43 H new ATOM 0 HG11 VAL A 25 8.753 30.000 -7.570 1.00 62.31 H new ATOM 0 HG12 VAL A 25 9.848 30.740 -6.378 1.00 62.31 H new ATOM 0 HG13 VAL A 25 8.874 31.771 -7.452 1.00 62.31 H new ATOM 0 HG21 VAL A 25 9.310 30.053 -9.977 1.00 72.30 H new ATOM 0 HG22 VAL A 25 9.455 31.826 -9.958 1.00 72.30 H new ATOM 0 HG23 VAL A 25 10.811 30.829 -10.536 1.00 72.30 H new ATOM 316 N ARG A 26 11.746 31.881 -5.746 1.00 65.11 N ATOM 317 CA ARG A 26 12.433 31.632 -4.484 1.00 61.03 C ATOM 318 C ARG A 26 11.662 30.626 -3.635 1.00 14.33 C ATOM 319 O ARG A 26 10.747 30.995 -2.897 1.00 61.40 O ATOM 320 CB ARG A 26 12.612 32.939 -3.710 1.00 13.11 C ATOM 321 CG ARG A 26 13.319 32.765 -2.376 1.00 35.24 C ATOM 322 CD ARG A 26 12.670 33.606 -1.288 1.00 2.54 C ATOM 323 NE ARG A 26 13.152 34.985 -1.302 1.00 55.34 N ATOM 324 CZ ARG A 26 12.983 35.833 -0.294 1.00 52.41 C ATOM 325 NH1 ARG A 26 12.348 35.446 0.804 1.00 63.44 N ATOM 326 NH2 ARG A 26 13.450 37.072 -0.382 1.00 54.35 N ATOM 0 H ARG A 26 10.782 32.198 -5.646 1.00 65.11 H new ATOM 0 HA ARG A 26 13.414 31.214 -4.709 1.00 61.03 H new ATOM 0 HB2 ARG A 26 13.179 33.640 -4.323 1.00 13.11 H new ATOM 0 HB3 ARG A 26 11.633 33.386 -3.537 1.00 13.11 H new ATOM 0 HG2 ARG A 26 13.298 31.714 -2.086 1.00 35.24 H new ATOM 0 HG3 ARG A 26 14.367 33.047 -2.479 1.00 35.24 H new ATOM 0 HD2 ARG A 26 11.588 33.599 -1.421 1.00 2.54 H new ATOM 0 HD3 ARG A 26 12.875 33.160 -0.315 1.00 2.54 H new ATOM 0 HE ARG A 26 13.645 35.315 -2.132 1.00 55.34 H new ATOM 0 HH11 ARG A 26 11.988 34.494 0.876 1.00 63.44 H new ATOM 0 HH12 ARG A 26 12.220 36.100 1.576 1.00 63.44 H new ATOM 0 HH21 ARG A 26 13.939 37.374 -1.224 1.00 54.35 H new ATOM 0 HH22 ARG A 26 13.320 37.722 0.393 1.00 54.35 H new ATOM 340 N ILE A 27 12.036 29.356 -3.745 1.00 4.34 N ATOM 341 CA ILE A 27 11.380 28.298 -2.986 1.00 42.43 C ATOM 342 C ILE A 27 11.892 28.252 -1.551 1.00 4.22 C ATOM 343 O ILE A 27 13.074 28.483 -1.294 1.00 41.00 O ATOM 344 CB ILE A 27 11.595 26.921 -3.641 1.00 34.34 C ATOM 345 CG1 ILE A 27 11.397 27.015 -5.155 1.00 21.21 C ATOM 346 CG2 ILE A 27 10.645 25.895 -3.040 1.00 13.43 C ATOM 347 CD1 ILE A 27 11.734 25.736 -5.889 1.00 33.42 C ATOM 0 H ILE A 27 12.790 29.034 -4.352 1.00 4.34 H new ATOM 0 HA ILE A 27 10.314 28.527 -2.981 1.00 42.43 H new ATOM 0 HB ILE A 27 12.618 26.599 -3.447 1.00 34.34 H new ATOM 0 HG12 ILE A 27 10.360 27.281 -5.362 1.00 21.21 H new ATOM 0 HG13 ILE A 27 12.017 27.822 -5.545 1.00 21.21 H new ATOM 0 HG21 ILE A 27 10.809 24.927 -3.513 1.00 13.43 H new ATOM 0 HG22 ILE A 27 10.830 25.812 -1.969 1.00 13.43 H new ATOM 0 HG23 ILE A 27 9.615 26.211 -3.207 1.00 13.43 H new ATOM 0 HD11 ILE A 27 11.570 25.876 -6.958 1.00 33.42 H new ATOM 0 HD12 ILE A 27 12.779 25.480 -5.712 1.00 33.42 H new ATOM 0 HD13 ILE A 27 11.096 24.930 -5.527 1.00 33.42 H new ATOM 359 N VAL A 28 10.995 27.950 -0.617 1.00 42.55 N ATOM 360 CA VAL A 28 11.356 27.871 0.793 1.00 64.42 C ATOM 361 C VAL A 28 10.469 26.875 1.532 1.00 42.12 C ATOM 362 O VAL A 28 9.355 27.203 1.939 1.00 11.53 O ATOM 363 CB VAL A 28 11.248 29.245 1.479 1.00 44.54 C ATOM 364 CG1 VAL A 28 11.594 29.134 2.956 1.00 50.23 C ATOM 365 CG2 VAL A 28 12.149 30.258 0.787 1.00 71.33 C ATOM 0 H VAL A 28 10.013 27.756 -0.812 1.00 42.55 H new ATOM 0 HA VAL A 28 12.391 27.533 0.836 1.00 64.42 H new ATOM 0 HB VAL A 28 10.218 29.592 1.397 1.00 44.54 H new ATOM 0 HG11 VAL A 28 11.512 30.115 3.424 1.00 50.23 H new ATOM 0 HG12 VAL A 28 10.905 28.442 3.440 1.00 50.23 H new ATOM 0 HG13 VAL A 28 12.614 28.765 3.064 1.00 50.23 H new ATOM 0 HG21 VAL A 28 12.060 31.224 1.285 1.00 71.33 H new ATOM 0 HG22 VAL A 28 13.183 29.918 0.836 1.00 71.33 H new ATOM 0 HG23 VAL A 28 11.849 30.359 -0.256 1.00 71.33 H new ATOM 375 N VAL A 29 10.971 25.656 1.702 1.00 2.10 N ATOM 376 CA VAL A 29 10.225 24.612 2.394 1.00 60.22 C ATOM 377 C VAL A 29 10.267 24.815 3.904 1.00 12.21 C ATOM 378 O VAL A 29 11.281 24.548 4.548 1.00 51.41 O ATOM 379 CB VAL A 29 10.776 23.213 2.060 1.00 64.02 C ATOM 380 CG1 VAL A 29 10.025 22.143 2.837 1.00 53.02 C ATOM 381 CG2 VAL A 29 10.696 22.952 0.563 1.00 12.42 C ATOM 0 H VAL A 29 11.891 25.367 1.370 1.00 2.10 H new ATOM 0 HA VAL A 29 9.193 24.680 2.050 1.00 60.22 H new ATOM 0 HB VAL A 29 11.824 23.175 2.357 1.00 64.02 H new ATOM 0 HG11 VAL A 29 10.429 21.162 2.588 1.00 53.02 H new ATOM 0 HG12 VAL A 29 10.140 22.322 3.906 1.00 53.02 H new ATOM 0 HG13 VAL A 29 8.968 22.178 2.575 1.00 53.02 H new ATOM 0 HG21 VAL A 29 11.090 21.959 0.345 1.00 12.42 H new ATOM 0 HG22 VAL A 29 9.657 23.010 0.239 1.00 12.42 H new ATOM 0 HG23 VAL A 29 11.284 23.700 0.031 1.00 12.42 H new ATOM 391 N GLU A 30 9.157 25.289 4.463 1.00 45.11 N ATOM 392 CA GLU A 30 9.068 25.528 5.899 1.00 43.55 C ATOM 393 C GLU A 30 8.720 24.243 6.644 1.00 43.12 C ATOM 394 O GLU A 30 7.614 23.718 6.515 1.00 64.34 O ATOM 395 CB GLU A 30 8.020 26.603 6.195 1.00 75.43 C ATOM 396 CG GLU A 30 8.276 27.364 7.484 1.00 14.04 C ATOM 397 CD GLU A 30 7.499 28.664 7.558 1.00 1.42 C ATOM 398 OE1 GLU A 30 6.340 28.690 7.093 1.00 22.31 O ATOM 399 OE2 GLU A 30 8.050 29.656 8.080 1.00 14.12 O ATOM 0 H GLU A 30 8.308 25.515 3.944 1.00 45.11 H new ATOM 0 HA GLU A 30 10.042 25.875 6.245 1.00 43.55 H new ATOM 0 HB2 GLU A 30 7.992 27.309 5.365 1.00 75.43 H new ATOM 0 HB3 GLU A 30 7.037 26.135 6.248 1.00 75.43 H new ATOM 0 HG2 GLU A 30 8.006 26.735 8.332 1.00 14.04 H new ATOM 0 HG3 GLU A 30 9.342 27.576 7.571 1.00 14.04 H new ATOM 406 N TYR A 31 9.672 23.742 7.423 1.00 3.21 N ATOM 407 CA TYR A 31 9.469 22.517 8.187 1.00 13.11 C ATOM 408 C TYR A 31 10.181 22.590 9.534 1.00 2.31 C ATOM 409 O TYR A 31 11.069 23.419 9.736 1.00 3.01 O ATOM 410 CB TYR A 31 9.972 21.308 7.396 1.00 2.52 C ATOM 411 CG TYR A 31 11.479 21.226 7.310 1.00 5.41 C ATOM 412 CD1 TYR A 31 12.173 21.864 6.289 1.00 54.21 C ATOM 413 CD2 TYR A 31 12.211 20.512 8.251 1.00 34.41 C ATOM 414 CE1 TYR A 31 13.550 21.791 6.206 1.00 14.11 C ATOM 415 CE2 TYR A 31 13.588 20.434 8.177 1.00 10.30 C ATOM 416 CZ TYR A 31 14.253 21.075 7.152 1.00 12.25 C ATOM 417 OH TYR A 31 15.625 21.001 7.074 1.00 14.23 O ATOM 0 H TYR A 31 10.592 24.166 7.542 1.00 3.21 H new ATOM 0 HA TYR A 31 8.400 22.405 8.368 1.00 13.11 H new ATOM 0 HB2 TYR A 31 9.593 20.397 7.860 1.00 2.52 H new ATOM 0 HB3 TYR A 31 9.560 21.347 6.387 1.00 2.52 H new ATOM 0 HD1 TYR A 31 11.626 22.427 5.547 1.00 54.21 H new ATOM 0 HD2 TYR A 31 11.694 20.009 9.055 1.00 34.41 H new ATOM 0 HE1 TYR A 31 14.073 22.292 5.405 1.00 14.11 H new ATOM 0 HE2 TYR A 31 14.141 19.875 8.917 1.00 10.30 H new ATOM 0 HH TYR A 31 16.020 21.790 7.501 1.00 14.23 H new ATOM 427 N CYS A 32 9.786 21.716 10.453 1.00 14.25 N ATOM 428 CA CYS A 32 10.385 21.679 11.782 1.00 14.21 C ATOM 429 C CYS A 32 11.774 21.051 11.735 1.00 63.31 C ATOM 430 O CYS A 32 11.912 19.833 11.624 1.00 53.15 O ATOM 431 CB CYS A 32 9.491 20.896 12.746 1.00 71.24 C ATOM 432 SG CYS A 32 10.260 20.553 14.361 1.00 64.42 S ATOM 0 H CYS A 32 9.053 21.023 10.302 1.00 14.25 H new ATOM 0 HA CYS A 32 10.481 22.705 12.139 1.00 14.21 H new ATOM 0 HB2 CYS A 32 8.570 21.456 12.906 1.00 71.24 H new ATOM 0 HB3 CYS A 32 9.213 19.951 12.280 1.00 71.24 H new ATOM 437 N GLU A 33 12.801 21.891 11.821 1.00 70.11 N ATOM 438 CA GLU A 33 14.180 21.417 11.787 1.00 13.25 C ATOM 439 C GLU A 33 14.422 20.370 12.871 1.00 54.21 C ATOM 440 O GLU A 33 14.748 19.216 12.592 1.00 1.25 O ATOM 441 CB GLU A 33 15.149 22.587 11.968 1.00 11.41 C ATOM 442 CG GLU A 33 15.862 22.990 10.688 1.00 2.03 C ATOM 443 CD GLU A 33 14.903 23.434 9.601 1.00 42.30 C ATOM 444 OE1 GLU A 33 13.722 23.685 9.917 1.00 35.32 O ATOM 445 OE2 GLU A 33 15.335 23.532 8.433 1.00 24.32 O ATOM 0 H GLU A 33 12.704 22.902 11.915 1.00 70.11 H new ATOM 0 HA GLU A 33 14.355 20.956 10.815 1.00 13.25 H new ATOM 0 HB2 GLU A 33 14.600 23.446 12.354 1.00 11.41 H new ATOM 0 HB3 GLU A 33 15.892 22.320 12.719 1.00 11.41 H new ATOM 0 HG2 GLU A 33 16.560 23.799 10.904 1.00 2.03 H new ATOM 0 HG3 GLU A 33 16.452 22.149 10.325 1.00 2.03 H new ATOM 452 N PRO A 34 14.259 20.781 14.137 1.00 13.22 N ATOM 453 CA PRO A 34 14.454 19.895 15.288 1.00 21.05 C ATOM 454 C PRO A 34 13.368 18.830 15.391 1.00 31.30 C ATOM 455 O PRO A 34 12.663 18.742 16.397 1.00 53.23 O ATOM 456 CB PRO A 34 14.384 20.847 16.485 1.00 50.10 C ATOM 457 CG PRO A 34 13.564 21.996 16.008 1.00 61.35 C ATOM 458 CD PRO A 34 13.870 22.143 14.543 1.00 64.53 C ATOM 0 HA PRO A 34 15.390 19.341 15.221 1.00 21.05 H new ATOM 0 HB2 PRO A 34 13.925 20.365 17.348 1.00 50.10 H new ATOM 0 HB3 PRO A 34 15.378 21.171 16.792 1.00 50.10 H new ATOM 0 HG2 PRO A 34 12.502 21.811 16.168 1.00 61.35 H new ATOM 0 HG3 PRO A 34 13.814 22.907 16.552 1.00 61.35 H new ATOM 0 HD2 PRO A 34 13.003 22.496 13.985 1.00 64.53 H new ATOM 0 HD3 PRO A 34 14.674 22.859 14.370 1.00 64.53 H new ATOM 466 N CYS A 35 13.238 18.021 14.345 1.00 62.13 N ATOM 467 CA CYS A 35 12.238 16.961 14.316 1.00 31.34 C ATOM 468 C CYS A 35 12.730 15.770 13.499 1.00 25.23 C ATOM 469 O CYS A 35 12.616 14.621 13.925 1.00 13.31 O ATOM 470 CB CYS A 35 10.925 17.486 13.733 1.00 74.52 C ATOM 471 SG CYS A 35 9.963 18.523 14.880 1.00 0.15 S ATOM 0 H CYS A 35 13.814 18.080 13.505 1.00 62.13 H new ATOM 0 HA CYS A 35 12.067 16.630 15.340 1.00 31.34 H new ATOM 0 HB2 CYS A 35 11.144 18.064 12.835 1.00 74.52 H new ATOM 0 HB3 CYS A 35 10.312 16.639 13.425 1.00 74.52 H new ATOM 476 N GLY A 36 13.280 16.053 12.322 1.00 11.31 N ATOM 477 CA GLY A 36 13.782 14.996 11.464 1.00 51.11 C ATOM 478 C GLY A 36 13.072 14.950 10.125 1.00 21.24 C ATOM 479 O GLY A 36 13.131 13.944 9.418 1.00 73.12 O ATOM 0 H GLY A 36 13.387 16.996 11.947 1.00 11.31 H new ATOM 0 HA2 GLY A 36 14.850 15.141 11.301 1.00 51.11 H new ATOM 0 HA3 GLY A 36 13.664 14.037 11.968 1.00 51.11 H new ATOM 483 N PHE A 37 12.398 16.041 9.777 1.00 73.40 N ATOM 484 CA PHE A 37 11.671 16.120 8.515 1.00 32.53 C ATOM 485 C PHE A 37 12.579 16.617 7.395 1.00 51.14 C ATOM 486 O PHE A 37 12.116 16.922 6.296 1.00 33.31 O ATOM 487 CB PHE A 37 10.461 17.046 8.656 1.00 3.12 C ATOM 488 CG PHE A 37 9.413 16.524 9.596 1.00 13.25 C ATOM 489 CD1 PHE A 37 8.628 15.437 9.246 1.00 5.02 C ATOM 490 CD2 PHE A 37 9.211 17.121 10.830 1.00 11.35 C ATOM 491 CE1 PHE A 37 7.663 14.954 10.109 1.00 31.03 C ATOM 492 CE2 PHE A 37 8.247 16.642 11.698 1.00 42.43 C ATOM 493 CZ PHE A 37 7.471 15.558 11.336 1.00 4.33 C ATOM 0 H PHE A 37 12.340 16.882 10.351 1.00 73.40 H new ATOM 0 HA PHE A 37 11.325 15.118 8.260 1.00 32.53 H new ATOM 0 HB2 PHE A 37 10.799 18.021 9.007 1.00 3.12 H new ATOM 0 HB3 PHE A 37 10.013 17.198 7.674 1.00 3.12 H new ATOM 0 HD1 PHE A 37 8.772 14.962 8.287 1.00 5.02 H new ATOM 0 HD2 PHE A 37 9.813 17.970 11.117 1.00 11.35 H new ATOM 0 HE1 PHE A 37 7.059 14.105 9.824 1.00 31.03 H new ATOM 0 HE2 PHE A 37 8.101 17.115 12.658 1.00 42.43 H new ATOM 0 HZ PHE A 37 6.716 15.184 12.011 1.00 4.33 H new ATOM 503 N GLU A 38 13.874 16.697 7.682 1.00 24.11 N ATOM 504 CA GLU A 38 14.847 17.159 6.699 1.00 23.11 C ATOM 505 C GLU A 38 15.087 16.097 5.630 1.00 74.22 C ATOM 506 O GLU A 38 15.281 16.415 4.457 1.00 24.40 O ATOM 507 CB GLU A 38 16.168 17.515 7.384 1.00 22.04 C ATOM 508 CG GLU A 38 17.153 18.230 6.474 1.00 14.44 C ATOM 509 CD GLU A 38 18.361 18.758 7.223 1.00 63.04 C ATOM 510 OE1 GLU A 38 18.272 19.870 7.784 1.00 50.34 O ATOM 511 OE2 GLU A 38 19.396 18.060 7.247 1.00 20.52 O ATOM 0 H GLU A 38 14.274 16.448 8.587 1.00 24.11 H new ATOM 0 HA GLU A 38 14.443 18.050 6.218 1.00 23.11 H new ATOM 0 HB2 GLU A 38 15.961 18.146 8.248 1.00 22.04 H new ATOM 0 HB3 GLU A 38 16.630 16.602 7.760 1.00 22.04 H new ATOM 0 HG2 GLU A 38 17.485 17.545 5.694 1.00 14.44 H new ATOM 0 HG3 GLU A 38 16.648 19.058 5.977 1.00 14.44 H new ATOM 518 N ALA A 39 15.071 14.834 6.044 1.00 11.23 N ATOM 519 CA ALA A 39 15.285 13.725 5.123 1.00 14.01 C ATOM 520 C ALA A 39 14.244 13.729 4.008 1.00 31.15 C ATOM 521 O ALA A 39 14.585 13.706 2.825 1.00 21.54 O ATOM 522 CB ALA A 39 15.252 12.402 5.874 1.00 61.14 C ATOM 0 H ALA A 39 14.912 14.554 7.012 1.00 11.23 H new ATOM 0 HA ALA A 39 16.268 13.847 4.667 1.00 14.01 H new ATOM 0 HB1 ALA A 39 15.413 11.582 5.174 1.00 61.14 H new ATOM 0 HB2 ALA A 39 16.037 12.393 6.630 1.00 61.14 H new ATOM 0 HB3 ALA A 39 14.282 12.282 6.357 1.00 61.14 H new ATOM 528 N THR A 40 12.972 13.758 4.393 1.00 35.31 N ATOM 529 CA THR A 40 11.881 13.763 3.426 1.00 32.44 C ATOM 530 C THR A 40 11.947 14.993 2.529 1.00 12.33 C ATOM 531 O THR A 40 11.366 15.014 1.444 1.00 52.01 O ATOM 532 CB THR A 40 10.509 13.725 4.127 1.00 64.33 C ATOM 533 OG1 THR A 40 10.410 12.554 4.946 1.00 53.51 O ATOM 534 CG2 THR A 40 9.381 13.734 3.107 1.00 74.31 C ATOM 0 H THR A 40 12.672 13.778 5.368 1.00 35.31 H new ATOM 0 HA THR A 40 11.994 12.866 2.817 1.00 32.44 H new ATOM 0 HB THR A 40 10.419 14.613 4.752 1.00 64.33 H new ATOM 0 HG1 THR A 40 9.536 12.538 5.389 1.00 53.51 H new ATOM 0 HG21 THR A 40 8.422 13.707 3.625 1.00 74.31 H new ATOM 0 HG22 THR A 40 9.442 14.640 2.505 1.00 74.31 H new ATOM 0 HG23 THR A 40 9.469 12.861 2.460 1.00 74.31 H new ATOM 542 N TYR A 41 12.658 16.017 2.988 1.00 20.25 N ATOM 543 CA TYR A 41 12.798 17.253 2.228 1.00 63.45 C ATOM 544 C TYR A 41 13.950 17.151 1.231 1.00 15.35 C ATOM 545 O TYR A 41 13.962 17.835 0.207 1.00 2.42 O ATOM 546 CB TYR A 41 13.028 18.434 3.171 1.00 3.14 C ATOM 547 CG TYR A 41 13.595 19.656 2.485 1.00 54.43 C ATOM 548 CD1 TYR A 41 12.937 20.241 1.410 1.00 71.15 C ATOM 549 CD2 TYR A 41 14.787 20.227 2.912 1.00 2.30 C ATOM 550 CE1 TYR A 41 13.451 21.357 0.779 1.00 42.12 C ATOM 551 CE2 TYR A 41 15.308 21.344 2.288 1.00 2.53 C ATOM 552 CZ TYR A 41 14.637 21.905 1.222 1.00 52.31 C ATOM 553 OH TYR A 41 15.152 23.018 0.597 1.00 14.12 O ATOM 0 H TYR A 41 13.147 16.015 3.883 1.00 20.25 H new ATOM 0 HA TYR A 41 11.874 17.415 1.673 1.00 63.45 H new ATOM 0 HB2 TYR A 41 12.083 18.699 3.644 1.00 3.14 H new ATOM 0 HB3 TYR A 41 13.707 18.126 3.966 1.00 3.14 H new ATOM 0 HD1 TYR A 41 12.007 19.816 1.062 1.00 71.15 H new ATOM 0 HD2 TYR A 41 15.316 19.790 3.746 1.00 2.30 H new ATOM 0 HE1 TYR A 41 12.927 21.798 -0.056 1.00 42.12 H new ATOM 0 HE2 TYR A 41 16.236 21.776 2.633 1.00 2.53 H new ATOM 0 HH TYR A 41 15.991 23.278 1.031 1.00 14.12 H new ATOM 563 N LEU A 42 14.915 16.293 1.539 1.00 22.51 N ATOM 564 CA LEU A 42 16.072 16.099 0.672 1.00 41.34 C ATOM 565 C LEU A 42 15.910 14.845 -0.181 1.00 22.45 C ATOM 566 O LEU A 42 16.713 14.583 -1.075 1.00 43.13 O ATOM 567 CB LEU A 42 17.350 16.001 1.507 1.00 72.11 C ATOM 568 CG LEU A 42 17.905 17.321 2.042 1.00 42.31 C ATOM 569 CD1 LEU A 42 19.221 17.091 2.769 1.00 13.25 C ATOM 570 CD2 LEU A 42 18.088 18.321 0.909 1.00 13.14 C ATOM 0 H LEU A 42 14.920 15.720 2.383 1.00 22.51 H new ATOM 0 HA LEU A 42 16.145 16.960 0.008 1.00 41.34 H new ATOM 0 HB2 LEU A 42 17.158 15.341 2.353 1.00 72.11 H new ATOM 0 HB3 LEU A 42 18.121 15.525 0.901 1.00 72.11 H new ATOM 0 HG LEU A 42 17.188 17.733 2.752 1.00 42.31 H new ATOM 0 HD11 LEU A 42 19.601 18.042 3.143 1.00 13.25 H new ATOM 0 HD12 LEU A 42 19.061 16.410 3.605 1.00 13.25 H new ATOM 0 HD13 LEU A 42 19.946 16.656 2.081 1.00 13.25 H new ATOM 0 HD21 LEU A 42 18.484 19.255 1.308 1.00 13.14 H new ATOM 0 HD22 LEU A 42 18.785 17.916 0.175 1.00 13.14 H new ATOM 0 HD23 LEU A 42 17.127 18.509 0.431 1.00 13.14 H new ATOM 582 N GLU A 43 14.865 14.074 0.103 1.00 30.50 N ATOM 583 CA GLU A 43 14.598 12.847 -0.639 1.00 13.10 C ATOM 584 C GLU A 43 13.945 13.156 -1.983 1.00 60.14 C ATOM 585 O GLU A 43 13.835 12.285 -2.848 1.00 4.22 O ATOM 586 CB GLU A 43 13.696 11.918 0.176 1.00 23.54 C ATOM 587 CG GLU A 43 14.452 11.061 1.178 1.00 5.22 C ATOM 588 CD GLU A 43 15.226 9.937 0.518 1.00 61.42 C ATOM 589 OE1 GLU A 43 15.475 10.024 -0.703 1.00 21.24 O ATOM 590 OE2 GLU A 43 15.583 8.969 1.223 1.00 52.14 O ATOM 0 H GLU A 43 14.190 14.277 0.841 1.00 30.50 H new ATOM 0 HA GLU A 43 15.550 12.349 -0.822 1.00 13.10 H new ATOM 0 HB2 GLU A 43 12.957 12.517 0.708 1.00 23.54 H new ATOM 0 HB3 GLU A 43 13.148 11.267 -0.506 1.00 23.54 H new ATOM 0 HG2 GLU A 43 15.141 11.690 1.741 1.00 5.22 H new ATOM 0 HG3 GLU A 43 13.747 10.640 1.895 1.00 5.22 H new ATOM 597 N LEU A 44 13.513 14.401 -2.152 1.00 74.52 N ATOM 598 CA LEU A 44 12.870 14.826 -3.391 1.00 32.31 C ATOM 599 C LEU A 44 13.459 16.142 -3.886 1.00 44.51 C ATOM 600 O LEU A 44 13.196 16.568 -5.010 1.00 51.03 O ATOM 601 CB LEU A 44 11.362 14.976 -3.181 1.00 21.13 C ATOM 602 CG LEU A 44 10.909 16.237 -2.443 1.00 65.43 C ATOM 603 CD1 LEU A 44 11.696 16.412 -1.154 1.00 11.15 C ATOM 604 CD2 LEU A 44 11.064 17.460 -3.335 1.00 13.22 C ATOM 0 H LEU A 44 13.596 15.134 -1.447 1.00 74.52 H new ATOM 0 HA LEU A 44 13.051 14.061 -4.146 1.00 32.31 H new ATOM 0 HB2 LEU A 44 10.876 14.956 -4.156 1.00 21.13 H new ATOM 0 HB3 LEU A 44 11.004 14.107 -2.628 1.00 21.13 H new ATOM 0 HG LEU A 44 9.855 16.128 -2.189 1.00 65.43 H new ATOM 0 HD11 LEU A 44 11.360 17.314 -0.642 1.00 11.15 H new ATOM 0 HD12 LEU A 44 11.535 15.548 -0.509 1.00 11.15 H new ATOM 0 HD13 LEU A 44 12.758 16.500 -1.385 1.00 11.15 H new ATOM 0 HD21 LEU A 44 10.737 18.348 -2.794 1.00 13.22 H new ATOM 0 HD22 LEU A 44 12.110 17.573 -3.619 1.00 13.22 H new ATOM 0 HD23 LEU A 44 10.456 17.336 -4.231 1.00 13.22 H new ATOM 616 N ALA A 45 14.260 16.782 -3.040 1.00 30.13 N ATOM 617 CA ALA A 45 14.890 18.048 -3.393 1.00 25.32 C ATOM 618 C ALA A 45 16.280 17.824 -3.979 1.00 42.14 C ATOM 619 O ALA A 45 16.672 18.485 -4.941 1.00 3.32 O ATOM 620 CB ALA A 45 14.970 18.956 -2.175 1.00 35.14 C ATOM 0 H ALA A 45 14.488 16.444 -2.105 1.00 30.13 H new ATOM 0 HA ALA A 45 14.276 18.531 -4.153 1.00 25.32 H new ATOM 0 HB1 ALA A 45 15.443 19.898 -2.454 1.00 35.14 H new ATOM 0 HB2 ALA A 45 13.965 19.151 -1.800 1.00 35.14 H new ATOM 0 HB3 ALA A 45 15.559 18.470 -1.397 1.00 35.14 H new ATOM 626 N SER A 46 17.021 16.889 -3.394 1.00 60.40 N ATOM 627 CA SER A 46 18.369 16.581 -3.856 1.00 44.13 C ATOM 628 C SER A 46 18.389 16.361 -5.366 1.00 22.22 C ATOM 629 O SER A 46 19.412 16.563 -6.020 1.00 75.02 O ATOM 630 CB SER A 46 18.906 15.340 -3.141 1.00 72.52 C ATOM 631 OG SER A 46 20.227 15.042 -3.558 1.00 21.02 O ATOM 0 H SER A 46 16.710 16.331 -2.599 1.00 60.40 H new ATOM 0 HA SER A 46 19.009 17.431 -3.622 1.00 44.13 H new ATOM 0 HB2 SER A 46 18.889 15.502 -2.063 1.00 72.52 H new ATOM 0 HB3 SER A 46 18.256 14.489 -3.345 1.00 72.52 H new ATOM 0 HG SER A 46 20.547 14.246 -3.085 1.00 21.02 H new ATOM 637 N ALA A 47 17.251 15.945 -5.912 1.00 21.34 N ATOM 638 CA ALA A 47 17.136 15.698 -7.344 1.00 11.53 C ATOM 639 C ALA A 47 16.507 16.891 -8.057 1.00 23.31 C ATOM 640 O ALA A 47 17.005 17.344 -9.088 1.00 23.43 O ATOM 641 CB ALA A 47 16.321 14.439 -7.599 1.00 23.13 C ATOM 0 H ALA A 47 16.396 15.772 -5.384 1.00 21.34 H new ATOM 0 HA ALA A 47 18.139 15.555 -7.745 1.00 11.53 H new ATOM 0 HB1 ALA A 47 16.243 14.267 -8.673 1.00 23.13 H new ATOM 0 HB2 ALA A 47 16.812 13.587 -7.129 1.00 23.13 H new ATOM 0 HB3 ALA A 47 15.323 14.560 -7.178 1.00 23.13 H new ATOM 647 N VAL A 48 15.410 17.395 -7.502 1.00 14.00 N ATOM 648 CA VAL A 48 14.713 18.535 -8.085 1.00 51.41 C ATOM 649 C VAL A 48 15.674 19.688 -8.353 1.00 12.22 C ATOM 650 O VAL A 48 15.477 20.473 -9.281 1.00 13.13 O ATOM 651 CB VAL A 48 13.579 19.029 -7.167 1.00 52.34 C ATOM 652 CG1 VAL A 48 14.088 20.107 -6.222 1.00 73.11 C ATOM 653 CG2 VAL A 48 12.410 19.543 -7.995 1.00 20.13 C ATOM 0 H VAL A 48 14.985 17.032 -6.649 1.00 14.00 H new ATOM 0 HA VAL A 48 14.285 18.196 -9.028 1.00 51.41 H new ATOM 0 HB VAL A 48 13.229 18.189 -6.567 1.00 52.34 H new ATOM 0 HG11 VAL A 48 13.273 20.444 -5.581 1.00 73.11 H new ATOM 0 HG12 VAL A 48 14.890 19.701 -5.606 1.00 73.11 H new ATOM 0 HG13 VAL A 48 14.466 20.950 -6.801 1.00 73.11 H new ATOM 0 HG21 VAL A 48 11.618 19.888 -7.331 1.00 20.13 H new ATOM 0 HG22 VAL A 48 12.744 20.370 -8.622 1.00 20.13 H new ATOM 0 HG23 VAL A 48 12.030 18.740 -8.626 1.00 20.13 H new ATOM 663 N LYS A 49 16.716 19.785 -7.534 1.00 32.11 N ATOM 664 CA LYS A 49 17.710 20.841 -7.682 1.00 24.21 C ATOM 665 C LYS A 49 18.339 20.806 -9.071 1.00 74.44 C ATOM 666 O LYS A 49 18.784 21.831 -9.587 1.00 34.43 O ATOM 667 CB LYS A 49 18.798 20.698 -6.615 1.00 43.10 C ATOM 668 CG LYS A 49 19.815 21.827 -6.628 1.00 72.41 C ATOM 669 CD LYS A 49 19.279 23.067 -5.934 1.00 4.53 C ATOM 670 CE LYS A 49 18.497 23.950 -6.894 1.00 45.23 C ATOM 671 NZ LYS A 49 18.663 25.396 -6.578 1.00 52.15 N ATOM 0 H LYS A 49 16.894 19.144 -6.760 1.00 32.11 H new ATOM 0 HA LYS A 49 17.207 21.799 -7.554 1.00 24.21 H new ATOM 0 HB2 LYS A 49 18.328 20.655 -5.632 1.00 43.10 H new ATOM 0 HB3 LYS A 49 19.317 19.751 -6.762 1.00 43.10 H new ATOM 0 HG2 LYS A 49 20.730 21.499 -6.135 1.00 72.41 H new ATOM 0 HG3 LYS A 49 20.077 22.070 -7.658 1.00 72.41 H new ATOM 0 HD2 LYS A 49 18.636 22.772 -5.104 1.00 4.53 H new ATOM 0 HD3 LYS A 49 20.107 23.634 -5.509 1.00 4.53 H new ATOM 0 HE2 LYS A 49 18.830 23.761 -7.915 1.00 45.23 H new ATOM 0 HE3 LYS A 49 17.440 23.688 -6.850 1.00 45.23 H new ATOM 0 HZ1 LYS A 49 17.731 25.857 -6.564 1.00 52.15 H new ATOM 0 HZ2 LYS A 49 19.114 25.498 -5.647 1.00 52.15 H new ATOM 0 HZ3 LYS A 49 19.260 25.843 -7.303 1.00 52.15 H new ATOM 685 N GLU A 50 18.370 19.620 -9.672 1.00 54.23 N ATOM 686 CA GLU A 50 18.943 19.454 -11.003 1.00 31.44 C ATOM 687 C GLU A 50 17.996 19.987 -12.074 1.00 1.22 C ATOM 688 O GLU A 50 18.336 20.018 -13.256 1.00 53.33 O ATOM 689 CB GLU A 50 19.252 17.979 -11.268 1.00 75.41 C ATOM 690 CG GLU A 50 19.935 17.730 -12.602 1.00 52.44 C ATOM 691 CD GLU A 50 20.622 16.380 -12.664 1.00 31.03 C ATOM 692 OE1 GLU A 50 19.969 15.367 -12.335 1.00 52.31 O ATOM 693 OE2 GLU A 50 21.812 16.336 -13.040 1.00 33.45 O ATOM 0 H GLU A 50 18.006 18.761 -9.259 1.00 54.23 H new ATOM 0 HA GLU A 50 19.870 20.026 -11.046 1.00 31.44 H new ATOM 0 HB2 GLU A 50 19.888 17.600 -10.468 1.00 75.41 H new ATOM 0 HB3 GLU A 50 18.323 17.410 -11.233 1.00 75.41 H new ATOM 0 HG2 GLU A 50 19.197 17.795 -13.401 1.00 52.44 H new ATOM 0 HG3 GLU A 50 20.669 18.515 -12.782 1.00 52.44 H new ATOM 700 N GLN A 51 16.808 20.405 -11.650 1.00 12.11 N ATOM 701 CA GLN A 51 15.811 20.936 -12.573 1.00 5.13 C ATOM 702 C GLN A 51 16.006 22.434 -12.781 1.00 42.30 C ATOM 703 O GLN A 51 16.117 22.904 -13.914 1.00 1.55 O ATOM 704 CB GLN A 51 14.401 20.661 -12.047 1.00 43.25 C ATOM 705 CG GLN A 51 14.157 19.203 -11.694 1.00 62.14 C ATOM 706 CD GLN A 51 14.077 18.312 -12.918 1.00 63.40 C ATOM 707 OE1 GLN A 51 15.026 17.598 -13.243 1.00 64.24 O ATOM 708 NE2 GLN A 51 12.941 18.348 -13.604 1.00 51.11 N ATOM 0 H GLN A 51 16.512 20.386 -10.674 1.00 12.11 H new ATOM 0 HA GLN A 51 15.937 20.435 -13.533 1.00 5.13 H new ATOM 0 HB2 GLN A 51 14.226 21.274 -11.163 1.00 43.25 H new ATOM 0 HB3 GLN A 51 13.675 20.971 -12.799 1.00 43.25 H new ATOM 0 HG2 GLN A 51 14.959 18.851 -11.045 1.00 62.14 H new ATOM 0 HG3 GLN A 51 13.229 19.120 -11.128 1.00 62.14 H new ATOM 0 HE21 GLN A 51 12.180 18.955 -13.299 1.00 51.11 H new ATOM 0 HE22 GLN A 51 12.829 17.769 -14.436 1.00 51.11 H new ATOM 717 N TYR A 52 16.046 23.179 -11.682 1.00 24.02 N ATOM 718 CA TYR A 52 16.225 24.625 -11.744 1.00 72.31 C ATOM 719 C TYR A 52 17.345 25.076 -10.811 1.00 54.15 C ATOM 720 O TYR A 52 17.108 25.600 -9.723 1.00 34.23 O ATOM 721 CB TYR A 52 14.922 25.337 -11.377 1.00 31.23 C ATOM 722 CG TYR A 52 14.003 24.508 -10.509 1.00 35.42 C ATOM 723 CD1 TYR A 52 14.416 24.049 -9.264 1.00 62.44 C ATOM 724 CD2 TYR A 52 12.720 24.184 -10.933 1.00 75.10 C ATOM 725 CE1 TYR A 52 13.580 23.290 -8.469 1.00 12.14 C ATOM 726 CE2 TYR A 52 11.876 23.427 -10.143 1.00 53.12 C ATOM 727 CZ TYR A 52 12.311 22.982 -8.912 1.00 55.22 C ATOM 728 OH TYR A 52 11.474 22.228 -8.122 1.00 12.02 O ATOM 0 H TYR A 52 15.957 22.805 -10.737 1.00 24.02 H new ATOM 0 HA TYR A 52 16.500 24.888 -12.765 1.00 72.31 H new ATOM 0 HB2 TYR A 52 15.159 26.265 -10.858 1.00 31.23 H new ATOM 0 HB3 TYR A 52 14.396 25.609 -12.292 1.00 31.23 H new ATOM 0 HD1 TYR A 52 15.408 24.290 -8.912 1.00 62.44 H new ATOM 0 HD2 TYR A 52 12.376 24.530 -11.897 1.00 75.10 H new ATOM 0 HE1 TYR A 52 13.918 22.939 -7.505 1.00 12.14 H new ATOM 0 HE2 TYR A 52 10.881 23.185 -10.487 1.00 53.12 H new ATOM 0 HH TYR A 52 10.565 22.592 -8.168 1.00 12.02 H new ATOM 738 N PRO A 53 18.596 24.869 -11.248 1.00 10.41 N ATOM 739 CA PRO A 53 19.779 25.248 -10.469 1.00 53.42 C ATOM 740 C PRO A 53 19.955 26.760 -10.381 1.00 13.50 C ATOM 741 O PRO A 53 20.814 27.254 -9.652 1.00 21.31 O ATOM 742 CB PRO A 53 20.935 24.620 -11.252 1.00 12.25 C ATOM 743 CG PRO A 53 20.430 24.508 -12.649 1.00 32.14 C ATOM 744 CD PRO A 53 18.953 24.250 -12.536 1.00 14.35 C ATOM 0 HA PRO A 53 19.712 24.909 -9.435 1.00 53.42 H new ATOM 0 HB2 PRO A 53 21.830 25.241 -11.203 1.00 12.25 H new ATOM 0 HB3 PRO A 53 21.202 23.643 -10.848 1.00 12.25 H new ATOM 0 HG2 PRO A 53 20.625 25.423 -13.209 1.00 32.14 H new ATOM 0 HG3 PRO A 53 20.928 23.697 -13.180 1.00 32.14 H new ATOM 0 HD2 PRO A 53 18.402 24.698 -13.363 1.00 14.35 H new ATOM 0 HD3 PRO A 53 18.730 23.183 -12.545 1.00 14.35 H new ATOM 752 N GLY A 54 19.134 27.492 -11.129 1.00 12.03 N ATOM 753 CA GLY A 54 19.215 28.941 -11.120 1.00 22.13 C ATOM 754 C GLY A 54 18.408 29.560 -9.996 1.00 1.01 C ATOM 755 O GLY A 54 18.807 30.574 -9.422 1.00 52.02 O ATOM 0 H GLY A 54 18.414 27.107 -11.741 1.00 12.03 H new ATOM 0 HA2 GLY A 54 20.258 29.243 -11.023 1.00 22.13 H new ATOM 0 HA3 GLY A 54 18.858 29.328 -12.075 1.00 22.13 H new ATOM 759 N ILE A 55 17.270 28.951 -9.682 1.00 31.42 N ATOM 760 CA ILE A 55 16.405 29.449 -8.620 1.00 11.12 C ATOM 761 C ILE A 55 17.139 29.483 -7.284 1.00 11.35 C ATOM 762 O ILE A 55 18.350 29.275 -7.225 1.00 21.34 O ATOM 763 CB ILE A 55 15.137 28.586 -8.475 1.00 4.54 C ATOM 764 CG1 ILE A 55 15.499 27.194 -7.954 1.00 32.12 C ATOM 765 CG2 ILE A 55 14.409 28.487 -9.806 1.00 52.24 C ATOM 766 CD1 ILE A 55 14.888 26.875 -6.607 1.00 72.03 C ATOM 0 H ILE A 55 16.925 28.112 -10.148 1.00 31.42 H new ATOM 0 HA ILE A 55 16.115 30.462 -8.898 1.00 11.12 H new ATOM 0 HB ILE A 55 14.472 29.061 -7.754 1.00 4.54 H new ATOM 0 HG12 ILE A 55 15.172 26.448 -8.678 1.00 32.12 H new ATOM 0 HG13 ILE A 55 16.583 27.113 -7.880 1.00 32.12 H new ATOM 0 HG21 ILE A 55 13.515 27.874 -9.687 1.00 52.24 H new ATOM 0 HG22 ILE A 55 14.123 29.485 -10.139 1.00 52.24 H new ATOM 0 HG23 ILE A 55 15.066 28.031 -10.547 1.00 52.24 H new ATOM 0 HD11 ILE A 55 15.187 25.873 -6.300 1.00 72.03 H new ATOM 0 HD12 ILE A 55 15.235 27.599 -5.870 1.00 72.03 H new ATOM 0 HD13 ILE A 55 13.801 26.923 -6.680 1.00 72.03 H new ATOM 778 N GLU A 56 16.396 29.746 -6.213 1.00 11.20 N ATOM 779 CA GLU A 56 16.977 29.806 -4.877 1.00 12.31 C ATOM 780 C GLU A 56 16.098 29.072 -3.868 1.00 1.30 C ATOM 781 O GLU A 56 15.055 29.579 -3.454 1.00 32.51 O ATOM 782 CB GLU A 56 17.164 31.262 -4.443 1.00 31.30 C ATOM 783 CG GLU A 56 18.605 31.737 -4.513 1.00 42.34 C ATOM 784 CD GLU A 56 18.936 32.757 -3.441 1.00 22.22 C ATOM 785 OE1 GLU A 56 17.996 33.384 -2.909 1.00 41.12 O ATOM 786 OE2 GLU A 56 20.134 32.928 -3.133 1.00 62.32 O ATOM 0 H GLU A 56 15.392 29.921 -6.245 1.00 11.20 H new ATOM 0 HA GLU A 56 17.950 29.316 -4.909 1.00 12.31 H new ATOM 0 HB2 GLU A 56 16.548 31.902 -5.074 1.00 31.30 H new ATOM 0 HB3 GLU A 56 16.801 31.377 -3.422 1.00 31.30 H new ATOM 0 HG2 GLU A 56 19.271 30.880 -4.412 1.00 42.34 H new ATOM 0 HG3 GLU A 56 18.793 32.173 -5.494 1.00 42.34 H new ATOM 793 N ILE A 57 16.528 27.877 -3.478 1.00 14.02 N ATOM 794 CA ILE A 57 15.781 27.074 -2.518 1.00 30.43 C ATOM 795 C ILE A 57 16.536 26.950 -1.199 1.00 3.42 C ATOM 796 O ILE A 57 17.760 26.818 -1.183 1.00 54.44 O ATOM 797 CB ILE A 57 15.494 25.663 -3.066 1.00 5.20 C ATOM 798 CG1 ILE A 57 14.958 24.759 -1.954 1.00 44.20 C ATOM 799 CG2 ILE A 57 16.753 25.068 -3.680 1.00 31.24 C ATOM 800 CD1 ILE A 57 13.658 25.246 -1.354 1.00 73.43 C ATOM 0 H ILE A 57 17.389 27.444 -3.812 1.00 14.02 H new ATOM 0 HA ILE A 57 14.835 27.588 -2.346 1.00 30.43 H new ATOM 0 HB ILE A 57 14.734 25.739 -3.844 1.00 5.20 H new ATOM 0 HG12 ILE A 57 14.812 23.755 -2.352 1.00 44.20 H new ATOM 0 HG13 ILE A 57 15.707 24.683 -1.166 1.00 44.20 H new ATOM 0 HG21 ILE A 57 16.535 24.071 -4.063 1.00 31.24 H new ATOM 0 HG22 ILE A 57 17.095 25.704 -4.497 1.00 31.24 H new ATOM 0 HG23 ILE A 57 17.532 25.003 -2.921 1.00 31.24 H new ATOM 0 HD11 ILE A 57 13.337 24.557 -0.573 1.00 73.43 H new ATOM 0 HD12 ILE A 57 13.804 26.238 -0.926 1.00 73.43 H new ATOM 0 HD13 ILE A 57 12.895 25.295 -2.131 1.00 73.43 H new ATOM 812 N GLU A 58 15.798 26.993 -0.094 1.00 21.20 N ATOM 813 CA GLU A 58 16.399 26.885 1.230 1.00 22.31 C ATOM 814 C GLU A 58 15.385 26.371 2.248 1.00 54.31 C ATOM 815 O GLU A 58 14.198 26.240 1.946 1.00 5.31 O ATOM 816 CB GLU A 58 16.946 28.242 1.679 1.00 60.43 C ATOM 817 CG GLU A 58 18.395 28.474 1.285 1.00 50.23 C ATOM 818 CD GLU A 58 19.319 27.384 1.791 1.00 5.24 C ATOM 819 OE1 GLU A 58 19.595 27.358 3.009 1.00 61.31 O ATOM 820 OE2 GLU A 58 19.767 26.557 0.969 1.00 0.33 O ATOM 0 H GLU A 58 14.784 27.102 -0.090 1.00 21.20 H new ATOM 0 HA GLU A 58 17.221 26.172 1.170 1.00 22.31 H new ATOM 0 HB2 GLU A 58 16.330 29.033 1.250 1.00 60.43 H new ATOM 0 HB3 GLU A 58 16.856 28.320 2.762 1.00 60.43 H new ATOM 0 HG2 GLU A 58 18.468 28.531 0.199 1.00 50.23 H new ATOM 0 HG3 GLU A 58 18.725 29.436 1.678 1.00 50.23 H new ATOM 827 N SER A 59 15.861 26.082 3.455 1.00 75.23 N ATOM 828 CA SER A 59 14.997 25.578 4.516 1.00 11.54 C ATOM 829 C SER A 59 14.733 26.660 5.560 1.00 75.40 C ATOM 830 O SER A 59 15.432 27.671 5.613 1.00 44.01 O ATOM 831 CB SER A 59 15.631 24.356 5.182 1.00 60.51 C ATOM 832 OG SER A 59 17.014 24.560 5.411 1.00 24.34 O ATOM 0 H SER A 59 16.840 26.188 3.722 1.00 75.23 H new ATOM 0 HA SER A 59 14.046 25.287 4.069 1.00 11.54 H new ATOM 0 HB2 SER A 59 15.129 24.152 6.128 1.00 60.51 H new ATOM 0 HB3 SER A 59 15.489 23.479 4.550 1.00 60.51 H new ATOM 0 HG SER A 59 17.395 23.765 5.839 1.00 24.34 H new ATOM 838 N ARG A 60 13.717 26.438 6.388 1.00 22.34 N ATOM 839 CA ARG A 60 13.358 27.393 7.430 1.00 25.41 C ATOM 840 C ARG A 60 12.512 26.726 8.511 1.00 63.13 C ATOM 841 O ARG A 60 12.062 25.590 8.350 1.00 44.52 O ATOM 842 CB ARG A 60 12.597 28.575 6.828 1.00 72.43 C ATOM 843 CG ARG A 60 13.055 29.926 7.352 1.00 21.54 C ATOM 844 CD ARG A 60 14.458 30.263 6.871 1.00 14.34 C ATOM 845 NE ARG A 60 14.539 30.314 5.414 1.00 22.52 N ATOM 846 CZ ARG A 60 15.657 30.583 4.750 1.00 43.44 C ATOM 847 NH1 ARG A 60 16.782 30.826 5.409 1.00 61.45 N ATOM 848 NH2 ARG A 60 15.652 30.611 3.423 1.00 71.20 N ATOM 0 H ARG A 60 13.128 25.606 6.358 1.00 22.34 H new ATOM 0 HA ARG A 60 14.278 27.757 7.887 1.00 25.41 H new ATOM 0 HB2 ARG A 60 12.713 28.557 5.744 1.00 72.43 H new ATOM 0 HB3 ARG A 60 11.534 28.456 7.036 1.00 72.43 H new ATOM 0 HG2 ARG A 60 12.361 30.699 7.023 1.00 21.54 H new ATOM 0 HG3 ARG A 60 13.034 29.921 8.442 1.00 21.54 H new ATOM 0 HD2 ARG A 60 14.762 31.224 7.285 1.00 14.34 H new ATOM 0 HD3 ARG A 60 15.159 29.518 7.247 1.00 14.34 H new ATOM 0 HE ARG A 60 13.691 30.133 4.877 1.00 22.52 H new ATOM 0 HH11 ARG A 60 16.790 30.807 6.429 1.00 61.45 H new ATOM 0 HH12 ARG A 60 17.639 31.032 4.896 1.00 61.45 H new ATOM 0 HH21 ARG A 60 14.789 30.426 2.912 1.00 71.20 H new ATOM 0 HH22 ARG A 60 16.511 30.818 2.914 1.00 71.20 H new ATOM 862 N LEU A 61 12.300 27.438 9.612 1.00 52.23 N ATOM 863 CA LEU A 61 11.508 26.916 10.720 1.00 72.21 C ATOM 864 C LEU A 61 10.026 27.216 10.519 1.00 11.54 C ATOM 865 O LEU A 61 9.663 28.199 9.873 1.00 21.53 O ATOM 866 CB LEU A 61 11.987 27.516 12.043 1.00 43.14 C ATOM 867 CG LEU A 61 12.024 26.563 13.238 1.00 44.21 C ATOM 868 CD1 LEU A 61 12.957 25.395 12.960 1.00 21.41 C ATOM 869 CD2 LEU A 61 12.453 27.303 14.497 1.00 64.14 C ATOM 0 H LEU A 61 12.666 28.378 9.761 1.00 52.23 H new ATOM 0 HA LEU A 61 11.640 25.834 10.750 1.00 72.21 H new ATOM 0 HB2 LEU A 61 12.989 27.919 11.894 1.00 43.14 H new ATOM 0 HB3 LEU A 61 11.339 28.356 12.294 1.00 43.14 H new ATOM 0 HG LEU A 61 11.020 26.170 13.396 1.00 44.21 H new ATOM 0 HD11 LEU A 61 12.971 24.727 13.821 1.00 21.41 H new ATOM 0 HD12 LEU A 61 12.606 24.850 12.084 1.00 21.41 H new ATOM 0 HD13 LEU A 61 13.964 25.770 12.775 1.00 21.41 H new ATOM 0 HD21 LEU A 61 12.474 26.609 15.338 1.00 64.14 H new ATOM 0 HD22 LEU A 61 13.447 27.725 14.350 1.00 64.14 H new ATOM 0 HD23 LEU A 61 11.746 28.105 14.706 1.00 64.14 H new ATOM 881 N GLY A 62 9.173 26.364 11.080 1.00 1.33 N ATOM 882 CA GLY A 62 7.740 26.557 10.953 1.00 3.25 C ATOM 883 C GLY A 62 7.056 26.717 12.296 1.00 12.24 C ATOM 884 O GLY A 62 6.262 27.637 12.491 1.00 72.43 O ATOM 0 H GLY A 62 9.449 25.544 11.620 1.00 1.33 H new ATOM 0 HA2 GLY A 62 7.548 27.440 10.343 1.00 3.25 H new ATOM 0 HA3 GLY A 62 7.307 25.706 10.427 1.00 3.25 H new ATOM 888 N GLY A 63 7.363 25.818 13.226 1.00 34.34 N ATOM 889 CA GLY A 63 6.761 25.880 14.546 1.00 70.14 C ATOM 890 C GLY A 63 6.900 24.577 15.308 1.00 4.44 C ATOM 891 O GLY A 63 7.527 24.533 16.368 1.00 61.34 O ATOM 0 H GLY A 63 8.018 25.048 13.089 1.00 34.34 H new ATOM 0 HA2 GLY A 63 7.227 26.683 15.117 1.00 70.14 H new ATOM 0 HA3 GLY A 63 5.704 26.130 14.449 1.00 70.14 H new ATOM 895 N THR A 64 6.313 23.513 14.771 1.00 64.43 N ATOM 896 CA THR A 64 6.372 22.204 15.409 1.00 64.43 C ATOM 897 C THR A 64 5.679 21.146 14.558 1.00 31.42 C ATOM 898 O THR A 64 4.462 21.177 14.381 1.00 12.23 O ATOM 899 CB THR A 64 5.723 22.230 16.805 1.00 24.44 C ATOM 900 OG1 THR A 64 4.959 23.430 16.968 1.00 24.33 O ATOM 901 CG2 THR A 64 6.781 22.144 17.895 1.00 21.13 C ATOM 0 H THR A 64 5.791 23.532 13.895 1.00 64.43 H new ATOM 0 HA THR A 64 7.427 21.950 15.512 1.00 64.43 H new ATOM 0 HB THR A 64 5.064 21.366 16.891 1.00 24.44 H new ATOM 0 HG1 THR A 64 4.548 23.438 17.858 1.00 24.33 H new ATOM 0 HG21 THR A 64 6.299 22.164 18.872 1.00 21.13 H new ATOM 0 HG22 THR A 64 7.341 21.215 17.786 1.00 21.13 H new ATOM 0 HG23 THR A 64 7.462 22.991 17.809 1.00 21.13 H new ATOM 909 N GLY A 65 6.462 20.208 14.034 1.00 71.34 N ATOM 910 CA GLY A 65 5.904 19.152 13.208 1.00 4.40 C ATOM 911 C GLY A 65 5.032 19.690 12.091 1.00 62.22 C ATOM 912 O GLY A 65 3.851 19.357 12.002 1.00 13.52 O ATOM 0 H GLY A 65 7.472 20.160 14.166 1.00 71.34 H new ATOM 0 HA2 GLY A 65 6.715 18.563 12.780 1.00 4.40 H new ATOM 0 HA3 GLY A 65 5.316 18.479 13.832 1.00 4.40 H new ATOM 916 N ALA A 66 5.615 20.524 11.236 1.00 2.45 N ATOM 917 CA ALA A 66 4.883 21.109 10.120 1.00 62.34 C ATOM 918 C ALA A 66 5.663 20.964 8.817 1.00 54.32 C ATOM 919 O ALA A 66 6.808 20.513 8.814 1.00 41.12 O ATOM 920 CB ALA A 66 4.580 22.574 10.396 1.00 62.11 C ATOM 0 H ALA A 66 6.592 20.810 11.295 1.00 2.45 H new ATOM 0 HA ALA A 66 3.942 20.570 10.012 1.00 62.34 H new ATOM 0 HB1 ALA A 66 4.033 22.997 9.554 1.00 62.11 H new ATOM 0 HB2 ALA A 66 3.976 22.657 11.299 1.00 62.11 H new ATOM 0 HB3 ALA A 66 5.514 23.119 10.533 1.00 62.11 H new ATOM 926 N PHE A 67 5.034 21.349 7.711 1.00 2.40 N ATOM 927 CA PHE A 67 5.669 21.261 6.401 1.00 73.00 C ATOM 928 C PHE A 67 5.073 22.284 5.438 1.00 2.12 C ATOM 929 O PHE A 67 4.744 21.960 4.298 1.00 71.31 O ATOM 930 CB PHE A 67 5.509 19.851 5.828 1.00 43.43 C ATOM 931 CG PHE A 67 6.527 19.513 4.776 1.00 2.23 C ATOM 932 CD1 PHE A 67 7.840 19.241 5.126 1.00 0.33 C ATOM 933 CD2 PHE A 67 6.171 19.467 3.438 1.00 23.21 C ATOM 934 CE1 PHE A 67 8.779 18.931 4.161 1.00 73.33 C ATOM 935 CE2 PHE A 67 7.106 19.156 2.468 1.00 54.31 C ATOM 936 CZ PHE A 67 8.411 18.887 2.830 1.00 31.10 C ATOM 0 H PHE A 67 4.086 21.725 7.696 1.00 2.40 H new ATOM 0 HA PHE A 67 6.730 21.478 6.523 1.00 73.00 H new ATOM 0 HB2 PHE A 67 5.583 19.127 6.640 1.00 43.43 H new ATOM 0 HB3 PHE A 67 4.511 19.752 5.402 1.00 43.43 H new ATOM 0 HD1 PHE A 67 8.133 19.272 6.165 1.00 0.33 H new ATOM 0 HD2 PHE A 67 5.152 19.676 3.149 1.00 23.21 H new ATOM 0 HE1 PHE A 67 9.800 18.723 4.447 1.00 73.33 H new ATOM 0 HE2 PHE A 67 6.816 19.124 1.428 1.00 54.31 H new ATOM 0 HZ PHE A 67 9.143 18.643 2.074 1.00 31.10 H new ATOM 946 N GLU A 68 4.938 23.521 5.907 1.00 20.33 N ATOM 947 CA GLU A 68 4.381 24.591 5.088 1.00 30.14 C ATOM 948 C GLU A 68 5.298 24.908 3.910 1.00 35.12 C ATOM 949 O GLU A 68 6.444 25.317 4.095 1.00 23.40 O ATOM 950 CB GLU A 68 4.164 25.849 5.932 1.00 33.44 C ATOM 951 CG GLU A 68 3.006 25.733 6.910 1.00 40.22 C ATOM 952 CD GLU A 68 2.819 26.986 7.744 1.00 64.04 C ATOM 953 OE1 GLU A 68 3.741 27.828 7.764 1.00 13.50 O ATOM 954 OE2 GLU A 68 1.751 27.123 8.376 1.00 50.44 O ATOM 0 H GLU A 68 5.207 23.806 6.849 1.00 20.33 H new ATOM 0 HA GLU A 68 3.421 24.253 4.698 1.00 30.14 H new ATOM 0 HB2 GLU A 68 5.077 26.066 6.487 1.00 33.44 H new ATOM 0 HB3 GLU A 68 3.985 26.695 5.269 1.00 33.44 H new ATOM 0 HG2 GLU A 68 2.089 25.528 6.358 1.00 40.22 H new ATOM 0 HG3 GLU A 68 3.177 24.883 7.571 1.00 40.22 H new ATOM 961 N ILE A 69 4.784 24.716 2.700 1.00 35.31 N ATOM 962 CA ILE A 69 5.555 24.981 1.492 1.00 12.32 C ATOM 963 C ILE A 69 5.404 26.433 1.052 1.00 51.43 C ATOM 964 O ILE A 69 4.299 26.976 1.037 1.00 65.41 O ATOM 965 CB ILE A 69 5.126 24.059 0.336 1.00 33.30 C ATOM 966 CG1 ILE A 69 5.308 22.592 0.731 1.00 71.33 C ATOM 967 CG2 ILE A 69 5.923 24.378 -0.920 1.00 74.10 C ATOM 968 CD1 ILE A 69 4.416 21.643 -0.039 1.00 52.44 C ATOM 0 H ILE A 69 3.837 24.378 2.530 1.00 35.31 H new ATOM 0 HA ILE A 69 6.599 24.783 1.734 1.00 12.32 H new ATOM 0 HB ILE A 69 4.070 24.231 0.126 1.00 33.30 H new ATOM 0 HG12 ILE A 69 6.349 22.308 0.573 1.00 71.33 H new ATOM 0 HG13 ILE A 69 5.106 22.483 1.797 1.00 71.33 H new ATOM 0 HG21 ILE A 69 5.608 23.718 -1.728 1.00 74.10 H new ATOM 0 HG22 ILE A 69 5.748 25.414 -1.209 1.00 74.10 H new ATOM 0 HG23 ILE A 69 6.985 24.231 -0.724 1.00 74.10 H new ATOM 0 HD11 ILE A 69 4.599 20.621 0.293 1.00 52.44 H new ATOM 0 HD12 ILE A 69 3.372 21.901 0.138 1.00 52.44 H new ATOM 0 HD13 ILE A 69 4.634 21.723 -1.104 1.00 52.44 H new ATOM 980 N GLU A 70 6.522 27.056 0.692 1.00 11.31 N ATOM 981 CA GLU A 70 6.513 28.446 0.250 1.00 60.20 C ATOM 982 C GLU A 70 7.229 28.595 -1.089 1.00 42.22 C ATOM 983 O GLU A 70 8.458 28.649 -1.145 1.00 61.11 O ATOM 984 CB GLU A 70 7.176 29.342 1.298 1.00 20.11 C ATOM 985 CG GLU A 70 6.602 29.172 2.695 1.00 42.22 C ATOM 986 CD GLU A 70 7.089 30.237 3.659 1.00 71.32 C ATOM 987 OE1 GLU A 70 8.305 30.267 3.944 1.00 55.24 O ATOM 988 OE2 GLU A 70 6.255 31.039 4.128 1.00 31.44 O ATOM 0 H GLU A 70 7.444 26.621 0.698 1.00 11.31 H new ATOM 0 HA GLU A 70 5.475 28.754 0.124 1.00 60.20 H new ATOM 0 HB2 GLU A 70 8.244 29.127 1.325 1.00 20.11 H new ATOM 0 HB3 GLU A 70 7.068 30.383 0.994 1.00 20.11 H new ATOM 0 HG2 GLU A 70 5.514 29.204 2.643 1.00 42.22 H new ATOM 0 HG3 GLU A 70 6.874 28.188 3.078 1.00 42.22 H new ATOM 995 N ILE A 71 6.452 28.661 -2.165 1.00 11.22 N ATOM 996 CA ILE A 71 7.011 28.805 -3.503 1.00 62.22 C ATOM 997 C ILE A 71 7.624 30.188 -3.697 1.00 71.45 C ATOM 998 O ILE A 71 8.500 30.376 -4.540 1.00 5.44 O ATOM 999 CB ILE A 71 5.943 28.572 -4.588 1.00 31.02 C ATOM 1000 CG1 ILE A 71 6.584 28.583 -5.977 1.00 22.21 C ATOM 1001 CG2 ILE A 71 4.853 29.629 -4.493 1.00 41.33 C ATOM 1002 CD1 ILE A 71 7.667 27.541 -6.150 1.00 43.25 C ATOM 0 H ILE A 71 5.433 28.617 -2.136 1.00 11.22 H new ATOM 0 HA ILE A 71 7.789 28.048 -3.603 1.00 62.22 H new ATOM 0 HB ILE A 71 5.489 27.594 -4.426 1.00 31.02 H new ATOM 0 HG12 ILE A 71 5.810 28.419 -6.727 1.00 22.21 H new ATOM 0 HG13 ILE A 71 7.007 29.570 -6.166 1.00 22.21 H new ATOM 0 HG21 ILE A 71 4.105 29.451 -5.266 1.00 41.33 H new ATOM 0 HG22 ILE A 71 4.380 29.577 -3.512 1.00 41.33 H new ATOM 0 HG23 ILE A 71 5.291 30.617 -4.633 1.00 41.33 H new ATOM 0 HD11 ILE A 71 8.077 27.606 -7.158 1.00 43.25 H new ATOM 0 HD12 ILE A 71 8.460 27.717 -5.423 1.00 43.25 H new ATOM 0 HD13 ILE A 71 7.245 26.548 -5.994 1.00 43.25 H new ATOM 1014 N ASN A 72 7.157 31.152 -2.911 1.00 32.43 N ATOM 1015 CA ASN A 72 7.660 32.518 -2.995 1.00 73.01 C ATOM 1016 C ASN A 72 7.829 33.122 -1.604 1.00 40.24 C ATOM 1017 O ASN A 72 7.625 34.319 -1.407 1.00 44.32 O ATOM 1018 CB ASN A 72 6.710 33.383 -3.827 1.00 22.41 C ATOM 1019 CG ASN A 72 7.067 33.380 -5.301 1.00 20.42 C ATOM 1020 OD1 ASN A 72 7.510 34.391 -5.846 1.00 23.34 O ATOM 1021 ND2 ASN A 72 6.874 32.239 -5.954 1.00 4.43 N ATOM 0 H ASN A 72 6.431 31.013 -2.208 1.00 32.43 H new ATOM 0 HA ASN A 72 8.635 32.490 -3.481 1.00 73.01 H new ATOM 0 HB2 ASN A 72 5.690 33.020 -3.702 1.00 22.41 H new ATOM 0 HB3 ASN A 72 6.733 34.406 -3.452 1.00 22.41 H new ATOM 0 HD21 ASN A 72 7.095 32.176 -6.948 1.00 4.43 H new ATOM 0 HD22 ASN A 72 6.505 31.426 -5.462 1.00 4.43 H new ATOM 1028 N GLY A 73 8.204 32.284 -0.643 1.00 10.25 N ATOM 1029 CA GLY A 73 8.395 32.754 0.717 1.00 20.43 C ATOM 1030 C GLY A 73 7.098 32.808 1.500 1.00 52.15 C ATOM 1031 O GLY A 73 7.102 33.071 2.702 1.00 52.44 O ATOM 0 H GLY A 73 8.379 31.289 -0.781 1.00 10.25 H new ATOM 0 HA2 GLY A 73 9.098 32.097 1.230 1.00 20.43 H new ATOM 0 HA3 GLY A 73 8.844 33.747 0.695 1.00 20.43 H new ATOM 1035 N GLN A 74 5.985 32.560 0.816 1.00 44.34 N ATOM 1036 CA GLN A 74 4.675 32.585 1.455 1.00 51.15 C ATOM 1037 C GLN A 74 3.971 31.240 1.305 1.00 0.43 C ATOM 1038 O GLN A 74 4.168 30.531 0.318 1.00 62.40 O ATOM 1039 CB GLN A 74 3.812 33.695 0.853 1.00 12.50 C ATOM 1040 CG GLN A 74 4.088 35.068 1.445 1.00 55.44 C ATOM 1041 CD GLN A 74 3.444 36.187 0.649 1.00 71.21 C ATOM 1042 OE1 GLN A 74 2.229 36.380 0.698 1.00 32.33 O ATOM 1043 NE2 GLN A 74 4.257 36.931 -0.091 1.00 4.42 N ATOM 0 H GLN A 74 5.965 32.340 -0.180 1.00 44.34 H new ATOM 0 HA GLN A 74 4.820 32.783 2.517 1.00 51.15 H new ATOM 0 HB2 GLN A 74 3.981 33.732 -0.223 1.00 12.50 H new ATOM 0 HB3 GLN A 74 2.761 33.448 1.003 1.00 12.50 H new ATOM 0 HG2 GLN A 74 3.720 35.098 2.470 1.00 55.44 H new ATOM 0 HG3 GLN A 74 5.165 35.231 1.488 1.00 55.44 H new ATOM 0 HE21 GLN A 74 5.258 36.736 -0.102 1.00 4.42 H new ATOM 0 HE22 GLN A 74 3.881 37.698 -0.648 1.00 4.42 H new ATOM 1052 N LEU A 75 3.150 30.895 2.291 1.00 40.50 N ATOM 1053 CA LEU A 75 2.416 29.635 2.270 1.00 62.22 C ATOM 1054 C LEU A 75 1.420 29.604 1.115 1.00 62.20 C ATOM 1055 O LEU A 75 0.512 30.432 1.042 1.00 31.32 O ATOM 1056 CB LEU A 75 1.683 29.426 3.596 1.00 3.32 C ATOM 1057 CG LEU A 75 0.967 28.086 3.764 1.00 64.41 C ATOM 1058 CD1 LEU A 75 1.956 26.935 3.656 1.00 43.23 C ATOM 1059 CD2 LEU A 75 0.233 28.036 5.096 1.00 53.24 C ATOM 0 H LEU A 75 2.976 31.470 3.115 1.00 40.50 H new ATOM 0 HA LEU A 75 3.134 28.827 2.128 1.00 62.22 H new ATOM 0 HB2 LEU A 75 2.403 29.534 4.407 1.00 3.32 H new ATOM 0 HB3 LEU A 75 0.950 30.224 3.712 1.00 3.32 H new ATOM 0 HG LEU A 75 0.234 27.985 2.964 1.00 64.41 H new ATOM 0 HD11 LEU A 75 1.428 25.989 3.778 1.00 43.23 H new ATOM 0 HD12 LEU A 75 2.437 26.959 2.678 1.00 43.23 H new ATOM 0 HD13 LEU A 75 2.713 27.031 4.434 1.00 43.23 H new ATOM 0 HD21 LEU A 75 -0.271 27.075 5.198 1.00 53.24 H new ATOM 0 HD22 LEU A 75 0.947 28.159 5.910 1.00 53.24 H new ATOM 0 HD23 LEU A 75 -0.504 28.838 5.136 1.00 53.24 H new ATOM 1071 N VAL A 76 1.596 28.642 0.215 1.00 73.15 N ATOM 1072 CA VAL A 76 0.711 28.500 -0.935 1.00 55.44 C ATOM 1073 C VAL A 76 -0.011 27.157 -0.912 1.00 5.31 C ATOM 1074 O VAL A 76 -1.089 27.009 -1.487 1.00 40.32 O ATOM 1075 CB VAL A 76 1.486 28.631 -2.260 1.00 13.31 C ATOM 1076 CG1 VAL A 76 2.061 30.032 -2.406 1.00 73.00 C ATOM 1077 CG2 VAL A 76 2.586 27.584 -2.339 1.00 32.43 C ATOM 0 H VAL A 76 2.343 27.949 0.260 1.00 73.15 H new ATOM 0 HA VAL A 76 -0.022 29.304 -0.870 1.00 55.44 H new ATOM 0 HB VAL A 76 0.794 28.460 -3.084 1.00 13.31 H new ATOM 0 HG11 VAL A 76 2.605 30.106 -3.348 1.00 73.00 H new ATOM 0 HG12 VAL A 76 1.250 30.761 -2.397 1.00 73.00 H new ATOM 0 HG13 VAL A 76 2.740 30.235 -1.578 1.00 73.00 H new ATOM 0 HG21 VAL A 76 3.123 27.691 -3.281 1.00 32.43 H new ATOM 0 HG22 VAL A 76 3.279 27.721 -1.509 1.00 32.43 H new ATOM 0 HG23 VAL A 76 2.145 26.589 -2.284 1.00 32.43 H new ATOM 1087 N PHE A 77 0.592 26.180 -0.242 1.00 51.23 N ATOM 1088 CA PHE A 77 0.008 24.848 -0.144 1.00 35.23 C ATOM 1089 C PHE A 77 0.524 24.117 1.092 1.00 5.43 C ATOM 1090 O PHE A 77 1.628 23.572 1.088 1.00 72.42 O ATOM 1091 CB PHE A 77 0.324 24.035 -1.400 1.00 64.54 C ATOM 1092 CG PHE A 77 -0.546 24.382 -2.574 1.00 45.15 C ATOM 1093 CD1 PHE A 77 -1.918 24.204 -2.513 1.00 53.11 C ATOM 1094 CD2 PHE A 77 0.009 24.887 -3.739 1.00 43.22 C ATOM 1095 CE1 PHE A 77 -2.721 24.522 -3.592 1.00 42.43 C ATOM 1096 CE2 PHE A 77 -0.788 25.208 -4.822 1.00 33.33 C ATOM 1097 CZ PHE A 77 -2.155 25.026 -4.748 1.00 33.14 C ATOM 0 H PHE A 77 1.484 26.286 0.241 1.00 51.23 H new ATOM 0 HA PHE A 77 -1.073 24.959 -0.054 1.00 35.23 H new ATOM 0 HB2 PHE A 77 1.368 24.193 -1.672 1.00 64.54 H new ATOM 0 HB3 PHE A 77 0.210 22.975 -1.175 1.00 64.54 H new ATOM 0 HD1 PHE A 77 -2.366 23.812 -1.612 1.00 53.11 H new ATOM 0 HD2 PHE A 77 1.077 25.032 -3.802 1.00 43.22 H new ATOM 0 HE1 PHE A 77 -3.790 24.377 -3.532 1.00 42.43 H new ATOM 0 HE2 PHE A 77 -0.342 25.600 -5.724 1.00 33.33 H new ATOM 0 HZ PHE A 77 -2.781 25.277 -5.592 1.00 33.14 H new ATOM 1107 N SER A 78 -0.281 24.112 2.149 1.00 11.35 N ATOM 1108 CA SER A 78 0.096 23.453 3.395 1.00 54.35 C ATOM 1109 C SER A 78 0.024 21.936 3.249 1.00 4.23 C ATOM 1110 O SER A 78 -0.903 21.401 2.642 1.00 54.41 O ATOM 1111 CB SER A 78 -0.816 23.911 4.535 1.00 42.23 C ATOM 1112 OG SER A 78 -0.354 25.125 5.101 1.00 42.42 O ATOM 0 H SER A 78 -1.199 24.557 2.168 1.00 11.35 H new ATOM 0 HA SER A 78 1.124 23.730 3.628 1.00 54.35 H new ATOM 0 HB2 SER A 78 -1.832 24.043 4.162 1.00 42.23 H new ATOM 0 HB3 SER A 78 -0.857 23.140 5.304 1.00 42.23 H new ATOM 0 HG SER A 78 -0.737 25.235 5.996 1.00 42.42 H new ATOM 1118 N LYS A 79 1.012 21.248 3.812 1.00 72.54 N ATOM 1119 CA LYS A 79 1.063 19.792 3.747 1.00 21.34 C ATOM 1120 C LYS A 79 0.306 19.169 4.916 1.00 25.41 C ATOM 1121 O LYS A 79 -0.112 18.012 4.852 1.00 72.11 O ATOM 1122 CB LYS A 79 2.516 19.311 3.753 1.00 42.44 C ATOM 1123 CG LYS A 79 2.769 18.127 2.836 1.00 55.13 C ATOM 1124 CD LYS A 79 2.999 16.850 3.625 1.00 32.45 C ATOM 1125 CE LYS A 79 4.301 16.906 4.409 1.00 22.11 C ATOM 1126 NZ LYS A 79 4.581 15.624 5.113 1.00 60.42 N ATOM 0 H LYS A 79 1.788 21.675 4.318 1.00 72.54 H new ATOM 0 HA LYS A 79 0.586 19.478 2.818 1.00 21.34 H new ATOM 0 HB2 LYS A 79 3.164 20.135 3.455 1.00 42.44 H new ATOM 0 HB3 LYS A 79 2.795 19.038 4.771 1.00 42.44 H new ATOM 0 HG2 LYS A 79 1.918 17.995 2.168 1.00 55.13 H new ATOM 0 HG3 LYS A 79 3.637 18.330 2.209 1.00 55.13 H new ATOM 0 HD2 LYS A 79 2.167 16.690 4.311 1.00 32.45 H new ATOM 0 HD3 LYS A 79 3.019 15.999 2.944 1.00 32.45 H new ATOM 0 HE2 LYS A 79 5.123 17.135 3.731 1.00 22.11 H new ATOM 0 HE3 LYS A 79 4.252 17.716 5.136 1.00 22.11 H new ATOM 0 HZ1 LYS A 79 5.477 15.703 5.635 1.00 60.42 H new ATOM 0 HZ2 LYS A 79 3.809 15.418 5.779 1.00 60.42 H new ATOM 0 HZ3 LYS A 79 4.653 14.854 4.417 1.00 60.42 H new ATOM 1140 N LEU A 80 0.133 19.942 5.982 1.00 21.13 N ATOM 1141 CA LEU A 80 -0.575 19.466 7.166 1.00 52.15 C ATOM 1142 C LEU A 80 -2.085 19.569 6.974 1.00 20.15 C ATOM 1143 O LEU A 80 -2.850 18.837 7.602 1.00 53.44 O ATOM 1144 CB LEU A 80 -0.149 20.269 8.396 1.00 35.21 C ATOM 1145 CG LEU A 80 0.737 19.534 9.403 1.00 55.50 C ATOM 1146 CD1 LEU A 80 2.046 19.114 8.754 1.00 3.04 C ATOM 1147 CD2 LEU A 80 0.999 20.409 10.620 1.00 13.32 C ATOM 0 H LEU A 80 0.473 20.901 6.051 1.00 21.13 H new ATOM 0 HA LEU A 80 -0.317 18.418 7.318 1.00 52.15 H new ATOM 0 HB2 LEU A 80 0.381 21.160 8.058 1.00 35.21 H new ATOM 0 HB3 LEU A 80 -1.047 20.609 8.912 1.00 35.21 H new ATOM 0 HG LEU A 80 0.214 18.636 9.732 1.00 55.50 H new ATOM 0 HD11 LEU A 80 2.664 18.593 9.485 1.00 3.04 H new ATOM 0 HD12 LEU A 80 1.839 18.450 7.914 1.00 3.04 H new ATOM 0 HD13 LEU A 80 2.575 19.998 8.397 1.00 3.04 H new ATOM 0 HD21 LEU A 80 1.631 19.870 11.326 1.00 13.32 H new ATOM 0 HD22 LEU A 80 1.502 21.325 10.308 1.00 13.32 H new ATOM 0 HD23 LEU A 80 0.052 20.660 11.098 1.00 13.32 H new ATOM 1159 N GLU A 81 -2.505 20.480 6.103 1.00 54.42 N ATOM 1160 CA GLU A 81 -3.924 20.677 5.829 1.00 40.03 C ATOM 1161 C GLU A 81 -4.348 19.911 4.579 1.00 61.11 C ATOM 1162 O GLU A 81 -5.314 19.149 4.603 1.00 45.10 O ATOM 1163 CB GLU A 81 -4.231 22.166 5.656 1.00 12.01 C ATOM 1164 CG GLU A 81 -3.577 23.048 6.706 1.00 14.14 C ATOM 1165 CD GLU A 81 -3.924 22.626 8.121 1.00 74.01 C ATOM 1166 OE1 GLU A 81 -5.093 22.256 8.359 1.00 72.31 O ATOM 1167 OE2 GLU A 81 -3.028 22.666 8.989 1.00 11.04 O ATOM 0 H GLU A 81 -1.884 21.093 5.575 1.00 54.42 H new ATOM 0 HA GLU A 81 -4.488 20.293 6.679 1.00 40.03 H new ATOM 0 HB2 GLU A 81 -3.899 22.484 4.668 1.00 12.01 H new ATOM 0 HB3 GLU A 81 -5.311 22.312 5.692 1.00 12.01 H new ATOM 0 HG2 GLU A 81 -2.495 23.019 6.577 1.00 14.14 H new ATOM 0 HG3 GLU A 81 -3.888 24.081 6.552 1.00 14.14 H new ATOM 1174 N ASN A 82 -3.618 20.120 3.488 1.00 72.11 N ATOM 1175 CA ASN A 82 -3.919 19.450 2.228 1.00 44.34 C ATOM 1176 C ASN A 82 -4.054 17.944 2.430 1.00 4.25 C ATOM 1177 O ASN A 82 -4.994 17.323 1.937 1.00 65.51 O ATOM 1178 CB ASN A 82 -2.825 19.741 1.198 1.00 1.50 C ATOM 1179 CG ASN A 82 -3.087 19.061 -0.132 1.00 2.22 C ATOM 1180 OD1 ASN A 82 -3.733 19.626 -1.014 1.00 53.31 O ATOM 1181 ND2 ASN A 82 -2.585 17.841 -0.281 1.00 44.00 N ATOM 0 H ASN A 82 -2.815 20.747 3.451 1.00 72.11 H new ATOM 0 HA ASN A 82 -4.869 19.835 1.859 1.00 44.34 H new ATOM 0 HB2 ASN A 82 -2.752 20.818 1.044 1.00 1.50 H new ATOM 0 HB3 ASN A 82 -1.864 19.409 1.590 1.00 1.50 H new ATOM 0 HD21 ASN A 82 -2.729 17.333 -1.154 1.00 44.00 H new ATOM 0 HD22 ASN A 82 -2.056 17.411 0.478 1.00 44.00 H new ATOM 1188 N GLY A 83 -3.107 17.364 3.162 1.00 62.44 N ATOM 1189 CA GLY A 83 -3.138 15.936 3.418 1.00 74.54 C ATOM 1190 C GLY A 83 -1.829 15.255 3.072 1.00 5.52 C ATOM 1191 O GLY A 83 -1.601 14.105 3.444 1.00 75.22 O ATOM 0 H GLY A 83 -2.319 17.858 3.582 1.00 62.44 H new ATOM 0 HA2 GLY A 83 -3.366 15.764 4.470 1.00 74.54 H new ATOM 0 HA3 GLY A 83 -3.943 15.484 2.839 1.00 74.54 H new ATOM 1236 N TYR A 87 4.239 15.620 -5.133 1.00 54.31 N ATOM 1237 CA TYR A 87 4.503 15.145 -6.486 1.00 23.12 C ATOM 1238 C TYR A 87 5.660 15.914 -7.117 1.00 21.31 C ATOM 1239 O TYR A 87 5.710 17.142 -7.054 1.00 62.55 O ATOM 1240 CB TYR A 87 3.251 15.285 -7.352 1.00 75.53 C ATOM 1241 CG TYR A 87 2.011 14.689 -6.725 1.00 34.33 C ATOM 1242 CD1 TYR A 87 1.823 13.313 -6.682 1.00 73.42 C ATOM 1243 CD2 TYR A 87 1.027 15.501 -6.175 1.00 51.42 C ATOM 1244 CE1 TYR A 87 0.691 12.764 -6.110 1.00 62.54 C ATOM 1245 CE2 TYR A 87 -0.107 14.961 -5.600 1.00 40.12 C ATOM 1246 CZ TYR A 87 -0.270 13.592 -5.570 1.00 74.24 C ATOM 1247 OH TYR A 87 -1.399 13.050 -5.000 1.00 32.23 O ATOM 0 HA TYR A 87 4.779 14.092 -6.426 1.00 23.12 H new ATOM 0 HB2 TYR A 87 3.074 16.342 -7.552 1.00 75.53 H new ATOM 0 HB3 TYR A 87 3.429 14.804 -8.314 1.00 75.53 H new ATOM 0 HD1 TYR A 87 2.574 12.661 -7.103 1.00 73.42 H new ATOM 0 HD2 TYR A 87 1.151 16.574 -6.197 1.00 51.42 H new ATOM 0 HE1 TYR A 87 0.560 11.692 -6.086 1.00 62.54 H new ATOM 0 HE2 TYR A 87 -0.862 15.607 -5.176 1.00 40.12 H new ATOM 0 HH TYR A 87 -1.974 13.769 -4.666 1.00 32.23 H new ATOM 1257 N GLU A 88 6.587 15.181 -7.725 1.00 25.50 N ATOM 1258 CA GLU A 88 7.744 15.793 -8.368 1.00 23.03 C ATOM 1259 C GLU A 88 7.309 16.858 -9.370 1.00 42.20 C ATOM 1260 O GLU A 88 7.991 17.866 -9.558 1.00 11.12 O ATOM 1261 CB GLU A 88 8.587 14.728 -9.072 1.00 44.12 C ATOM 1262 CG GLU A 88 7.781 13.817 -9.983 1.00 11.51 C ATOM 1263 CD GLU A 88 8.651 12.845 -10.755 1.00 45.20 C ATOM 1264 OE1 GLU A 88 9.890 12.917 -10.615 1.00 42.02 O ATOM 1265 OE2 GLU A 88 8.093 12.012 -11.499 1.00 40.12 O ATOM 0 H GLU A 88 6.560 14.163 -7.786 1.00 25.50 H new ATOM 0 HA GLU A 88 8.347 16.270 -7.595 1.00 23.03 H new ATOM 0 HB2 GLU A 88 9.363 15.220 -9.659 1.00 44.12 H new ATOM 0 HB3 GLU A 88 9.092 14.121 -8.320 1.00 44.12 H new ATOM 0 HG2 GLU A 88 7.060 13.258 -9.386 1.00 11.51 H new ATOM 0 HG3 GLU A 88 7.210 14.425 -10.685 1.00 11.51 H new ATOM 1272 N LYS A 89 6.169 16.627 -10.012 1.00 42.33 N ATOM 1273 CA LYS A 89 5.641 17.565 -10.995 1.00 53.54 C ATOM 1274 C LYS A 89 4.939 18.734 -10.310 1.00 62.22 C ATOM 1275 O LYS A 89 4.824 19.820 -10.878 1.00 4.33 O ATOM 1276 CB LYS A 89 4.667 16.854 -11.938 1.00 2.02 C ATOM 1277 CG LYS A 89 3.431 16.312 -11.240 1.00 45.52 C ATOM 1278 CD LYS A 89 2.616 15.422 -12.162 1.00 71.42 C ATOM 1279 CE LYS A 89 3.074 13.973 -12.087 1.00 45.40 C ATOM 1280 NZ LYS A 89 2.782 13.233 -13.346 1.00 21.04 N ATOM 0 H LYS A 89 5.593 15.798 -9.869 1.00 42.33 H new ATOM 0 HA LYS A 89 6.478 17.955 -11.574 1.00 53.54 H new ATOM 0 HB2 LYS A 89 4.358 17.549 -12.719 1.00 2.02 H new ATOM 0 HB3 LYS A 89 5.186 16.032 -12.430 1.00 2.02 H new ATOM 0 HG2 LYS A 89 3.729 15.747 -10.357 1.00 45.52 H new ATOM 0 HG3 LYS A 89 2.814 17.141 -10.894 1.00 45.52 H new ATOM 0 HD2 LYS A 89 1.562 15.486 -11.893 1.00 71.42 H new ATOM 0 HD3 LYS A 89 2.705 15.780 -13.188 1.00 71.42 H new ATOM 0 HE2 LYS A 89 4.145 13.941 -11.887 1.00 45.40 H new ATOM 0 HE3 LYS A 89 2.578 13.478 -11.252 1.00 45.40 H new ATOM 0 HZ1 LYS A 89 3.109 12.250 -13.255 1.00 21.04 H new ATOM 0 HZ2 LYS A 89 1.757 13.242 -13.524 1.00 21.04 H new ATOM 0 HZ3 LYS A 89 3.275 13.690 -14.140 1.00 21.04 H new ATOM 1294 N ASP A 90 4.473 18.503 -9.088 1.00 4.53 N ATOM 1295 CA ASP A 90 3.785 19.538 -8.324 1.00 45.11 C ATOM 1296 C ASP A 90 4.782 20.531 -7.733 1.00 70.34 C ATOM 1297 O ASP A 90 4.426 21.663 -7.405 1.00 41.45 O ATOM 1298 CB ASP A 90 2.951 18.908 -7.207 1.00 44.15 C ATOM 1299 CG ASP A 90 2.306 19.946 -6.311 1.00 54.41 C ATOM 1300 OD1 ASP A 90 1.250 20.489 -6.698 1.00 11.30 O ATOM 1301 OD2 ASP A 90 2.856 20.217 -5.223 1.00 64.42 O ATOM 0 H ASP A 90 4.559 17.609 -8.605 1.00 4.53 H new ATOM 0 HA ASP A 90 3.123 20.076 -9.002 1.00 45.11 H new ATOM 0 HB2 ASP A 90 2.176 18.280 -7.646 1.00 44.15 H new ATOM 0 HB3 ASP A 90 3.586 18.258 -6.606 1.00 44.15 H new ATOM 1306 N LEU A 91 6.031 20.098 -7.599 1.00 51.33 N ATOM 1307 CA LEU A 91 7.080 20.949 -7.047 1.00 33.51 C ATOM 1308 C LEU A 91 7.716 21.806 -8.136 1.00 71.13 C ATOM 1309 O LEU A 91 8.282 22.863 -7.856 1.00 52.13 O ATOM 1310 CB LEU A 91 8.150 20.094 -6.365 1.00 15.24 C ATOM 1311 CG LEU A 91 7.707 19.341 -5.110 1.00 22.24 C ATOM 1312 CD1 LEU A 91 8.402 17.991 -5.025 1.00 73.51 C ATOM 1313 CD2 LEU A 91 7.991 20.167 -3.864 1.00 14.32 C ATOM 0 H LEU A 91 6.342 19.164 -7.865 1.00 51.33 H new ATOM 0 HA LEU A 91 6.626 21.611 -6.309 1.00 33.51 H new ATOM 0 HB2 LEU A 91 8.522 19.368 -7.088 1.00 15.24 H new ATOM 0 HB3 LEU A 91 8.988 20.739 -6.101 1.00 15.24 H new ATOM 0 HG LEU A 91 6.632 19.171 -5.172 1.00 22.24 H new ATOM 0 HD11 LEU A 91 8.075 17.469 -4.126 1.00 73.51 H new ATOM 0 HD12 LEU A 91 8.149 17.396 -5.902 1.00 73.51 H new ATOM 0 HD13 LEU A 91 9.481 18.139 -4.986 1.00 73.51 H new ATOM 0 HD21 LEU A 91 7.669 19.615 -2.981 1.00 14.32 H new ATOM 0 HD22 LEU A 91 9.060 20.368 -3.797 1.00 14.32 H new ATOM 0 HD23 LEU A 91 7.447 21.110 -3.921 1.00 14.32 H new ATOM 1325 N ILE A 92 7.617 21.344 -9.378 1.00 41.43 N ATOM 1326 CA ILE A 92 8.180 22.071 -10.510 1.00 31.13 C ATOM 1327 C ILE A 92 7.127 22.949 -11.178 1.00 62.41 C ATOM 1328 O ILE A 92 7.452 23.960 -11.798 1.00 50.52 O ATOM 1329 CB ILE A 92 8.772 21.110 -11.558 1.00 35.12 C ATOM 1330 CG1 ILE A 92 9.600 21.886 -12.583 1.00 43.32 C ATOM 1331 CG2 ILE A 92 7.662 20.330 -12.247 1.00 21.41 C ATOM 1332 CD1 ILE A 92 10.884 21.189 -12.975 1.00 2.10 C ATOM 0 H ILE A 92 7.153 20.470 -9.626 1.00 41.43 H new ATOM 0 HA ILE A 92 8.977 22.701 -10.116 1.00 31.13 H new ATOM 0 HB ILE A 92 9.427 20.402 -11.051 1.00 35.12 H new ATOM 0 HG12 ILE A 92 8.997 22.049 -13.476 1.00 43.32 H new ATOM 0 HG13 ILE A 92 9.839 22.869 -12.176 1.00 43.32 H new ATOM 0 HG21 ILE A 92 8.096 19.655 -12.985 1.00 21.41 H new ATOM 0 HG22 ILE A 92 7.110 19.752 -11.506 1.00 21.41 H new ATOM 0 HG23 ILE A 92 6.984 21.024 -12.744 1.00 21.41 H new ATOM 0 HD11 ILE A 92 11.420 21.796 -13.705 1.00 2.10 H new ATOM 0 HD12 ILE A 92 11.507 21.050 -12.091 1.00 2.10 H new ATOM 0 HD13 ILE A 92 10.652 20.218 -13.412 1.00 2.10 H new ATOM 1344 N GLU A 93 5.865 22.554 -11.045 1.00 54.14 N ATOM 1345 CA GLU A 93 4.764 23.306 -11.636 1.00 51.21 C ATOM 1346 C GLU A 93 4.534 24.615 -10.885 1.00 64.23 C ATOM 1347 O GLU A 93 3.851 25.513 -11.376 1.00 60.33 O ATOM 1348 CB GLU A 93 3.483 22.469 -11.628 1.00 52.50 C ATOM 1349 CG GLU A 93 2.857 22.328 -10.251 1.00 12.12 C ATOM 1350 CD GLU A 93 1.936 23.483 -9.907 1.00 43.00 C ATOM 1351 OE1 GLU A 93 1.423 24.132 -10.842 1.00 40.01 O ATOM 1352 OE2 GLU A 93 1.729 23.737 -8.702 1.00 3.31 O ATOM 0 H GLU A 93 5.580 21.719 -10.534 1.00 54.14 H new ATOM 0 HA GLU A 93 5.030 23.540 -12.667 1.00 51.21 H new ATOM 0 HB2 GLU A 93 2.758 22.924 -12.303 1.00 52.50 H new ATOM 0 HB3 GLU A 93 3.705 21.477 -12.020 1.00 52.50 H new ATOM 0 HG2 GLU A 93 2.296 21.395 -10.205 1.00 12.12 H new ATOM 0 HG3 GLU A 93 3.646 22.262 -9.502 1.00 12.12 H new ATOM 1359 N ALA A 94 5.110 24.714 -9.692 1.00 3.23 N ATOM 1360 CA ALA A 94 4.970 25.912 -8.873 1.00 44.24 C ATOM 1361 C ALA A 94 5.793 27.064 -9.441 1.00 71.01 C ATOM 1362 O ALA A 94 5.247 28.101 -9.819 1.00 43.13 O ATOM 1363 CB ALA A 94 5.385 25.622 -7.438 1.00 54.43 C ATOM 0 H ALA A 94 5.678 23.979 -9.271 1.00 3.23 H new ATOM 0 HA ALA A 94 3.921 26.209 -8.883 1.00 44.24 H new ATOM 0 HB1 ALA A 94 5.275 26.525 -6.838 1.00 54.43 H new ATOM 0 HB2 ALA A 94 4.752 24.835 -7.028 1.00 54.43 H new ATOM 0 HB3 ALA A 94 6.425 25.298 -7.419 1.00 54.43 H new ATOM 1369 N ILE A 95 7.107 26.875 -9.497 1.00 51.20 N ATOM 1370 CA ILE A 95 8.004 27.899 -10.019 1.00 74.11 C ATOM 1371 C ILE A 95 7.637 28.273 -11.451 1.00 72.32 C ATOM 1372 O ILE A 95 7.811 29.417 -11.869 1.00 5.51 O ATOM 1373 CB ILE A 95 9.471 27.434 -9.982 1.00 24.33 C ATOM 1374 CG1 ILE A 95 9.658 26.191 -10.855 1.00 52.41 C ATOM 1375 CG2 ILE A 95 9.901 27.151 -8.550 1.00 60.30 C ATOM 1376 CD1 ILE A 95 10.077 26.507 -12.274 1.00 11.42 C ATOM 0 H ILE A 95 7.574 26.023 -9.187 1.00 51.20 H new ATOM 0 HA ILE A 95 7.892 28.773 -9.378 1.00 74.11 H new ATOM 0 HB ILE A 95 10.099 28.231 -10.379 1.00 24.33 H new ATOM 0 HG12 ILE A 95 10.408 25.546 -10.398 1.00 52.41 H new ATOM 0 HG13 ILE A 95 8.725 25.629 -10.877 1.00 52.41 H new ATOM 0 HG21 ILE A 95 10.940 26.823 -8.540 1.00 60.30 H new ATOM 0 HG22 ILE A 95 9.801 28.058 -7.954 1.00 60.30 H new ATOM 0 HG23 ILE A 95 9.270 26.369 -8.128 1.00 60.30 H new ATOM 0 HD11 ILE A 95 10.191 25.579 -12.835 1.00 11.42 H new ATOM 0 HD12 ILE A 95 9.316 27.127 -12.748 1.00 11.42 H new ATOM 0 HD13 ILE A 95 11.026 27.043 -12.262 1.00 11.42 H new ATOM 1388 N ARG A 96 7.126 27.300 -12.198 1.00 72.45 N ATOM 1389 CA ARG A 96 6.733 27.526 -13.584 1.00 43.41 C ATOM 1390 C ARG A 96 5.550 28.486 -13.664 1.00 13.33 C ATOM 1391 O ARG A 96 5.423 29.253 -14.619 1.00 33.14 O ATOM 1392 CB ARG A 96 6.375 26.201 -14.258 1.00 71.15 C ATOM 1393 CG ARG A 96 5.791 26.365 -15.652 1.00 73.10 C ATOM 1394 CD ARG A 96 5.345 25.031 -16.230 1.00 21.32 C ATOM 1395 NE ARG A 96 4.034 24.627 -15.728 1.00 3.32 N ATOM 1396 CZ ARG A 96 3.255 23.741 -16.337 1.00 51.04 C ATOM 1397 NH1 ARG A 96 3.652 23.168 -17.465 1.00 45.42 N ATOM 1398 NH2 ARG A 96 2.075 23.425 -15.818 1.00 41.54 N ATOM 0 H ARG A 96 6.974 26.347 -11.867 1.00 72.45 H new ATOM 0 HA ARG A 96 7.578 27.974 -14.106 1.00 43.41 H new ATOM 0 HB2 ARG A 96 7.269 25.581 -14.319 1.00 71.15 H new ATOM 0 HB3 ARG A 96 5.659 25.667 -13.634 1.00 71.15 H new ATOM 0 HG2 ARG A 96 4.942 27.048 -15.614 1.00 73.10 H new ATOM 0 HG3 ARG A 96 6.535 26.817 -16.308 1.00 73.10 H new ATOM 0 HD2 ARG A 96 5.311 25.100 -17.317 1.00 21.32 H new ATOM 0 HD3 ARG A 96 6.080 24.265 -15.982 1.00 21.32 H new ATOM 0 HE ARG A 96 3.699 25.049 -14.862 1.00 3.32 H new ATOM 0 HH11 ARG A 96 4.558 23.408 -17.867 1.00 45.42 H new ATOM 0 HH12 ARG A 96 3.051 22.488 -17.930 1.00 45.42 H new ATOM 0 HH21 ARG A 96 1.766 23.863 -14.950 1.00 41.54 H new ATOM 0 HH22 ARG A 96 1.477 22.744 -16.287 1.00 41.54 H new ATOM 1412 N ARG A 97 4.686 28.438 -12.655 1.00 21.52 N ATOM 1413 CA ARG A 97 3.512 29.301 -12.612 1.00 2.15 C ATOM 1414 C ARG A 97 3.834 30.622 -11.918 1.00 61.22 C ATOM 1415 O ARG A 97 3.185 31.638 -12.165 1.00 24.10 O ATOM 1416 CB ARG A 97 2.363 28.599 -11.886 1.00 53.03 C ATOM 1417 CG ARG A 97 1.023 28.737 -12.591 1.00 62.24 C ATOM 1418 CD ARG A 97 0.013 27.726 -12.072 1.00 25.53 C ATOM 1419 NE ARG A 97 -1.269 28.347 -11.751 1.00 44.24 N ATOM 1420 CZ ARG A 97 -2.339 27.665 -11.360 1.00 70.44 C ATOM 1421 NH1 ARG A 97 -2.281 26.345 -11.242 1.00 12.43 N ATOM 1422 NH2 ARG A 97 -3.470 28.302 -11.087 1.00 33.11 N ATOM 0 H ARG A 97 4.777 27.810 -11.856 1.00 21.52 H new ATOM 0 HA ARG A 97 3.210 29.513 -13.638 1.00 2.15 H new ATOM 0 HB2 ARG A 97 2.602 27.541 -11.783 1.00 53.03 H new ATOM 0 HB3 ARG A 97 2.278 29.007 -10.879 1.00 53.03 H new ATOM 0 HG2 ARG A 97 0.637 29.746 -12.446 1.00 62.24 H new ATOM 0 HG3 ARG A 97 1.159 28.599 -13.664 1.00 62.24 H new ATOM 0 HD2 ARG A 97 -0.139 26.948 -12.821 1.00 25.53 H new ATOM 0 HD3 ARG A 97 0.412 27.239 -11.182 1.00 25.53 H new ATOM 0 HE ARG A 97 -1.347 29.361 -11.832 1.00 44.24 H new ATOM 0 HH11 ARG A 97 -1.413 25.852 -11.452 1.00 12.43 H new ATOM 0 HH12 ARG A 97 -3.104 25.823 -10.941 1.00 12.43 H new ATOM 0 HH21 ARG A 97 -3.518 29.317 -11.177 1.00 33.11 H new ATOM 0 HH22 ARG A 97 -4.291 27.777 -10.787 1.00 33.11 H new ATOM 1436 N ALA A 98 4.840 30.598 -11.050 1.00 14.44 N ATOM 1437 CA ALA A 98 5.248 31.793 -10.322 1.00 4.41 C ATOM 1438 C ALA A 98 6.138 32.683 -11.183 1.00 53.45 C ATOM 1439 O ALA A 98 5.982 33.904 -11.198 1.00 42.41 O ATOM 1440 CB ALA A 98 5.969 31.409 -9.038 1.00 33.00 C ATOM 0 H ALA A 98 5.387 29.765 -10.834 1.00 14.44 H new ATOM 0 HA ALA A 98 4.351 32.357 -10.068 1.00 4.41 H new ATOM 0 HB1 ALA A 98 6.268 32.311 -8.505 1.00 33.00 H new ATOM 0 HB2 ALA A 98 5.302 30.820 -8.409 1.00 33.00 H new ATOM 0 HB3 ALA A 98 6.854 30.821 -9.280 1.00 33.00 H new ATOM 1446 N SER A 99 7.071 32.064 -11.900 1.00 14.13 N ATOM 1447 CA SER A 99 7.988 32.801 -12.761 1.00 1.14 C ATOM 1448 C SER A 99 7.264 33.342 -13.989 1.00 53.54 C ATOM 1449 O SER A 99 7.787 34.194 -14.707 1.00 20.31 O ATOM 1450 CB SER A 99 9.148 31.902 -13.193 1.00 41.43 C ATOM 1451 OG SER A 99 8.687 30.818 -13.980 1.00 70.30 O ATOM 0 H SER A 99 7.211 31.054 -11.901 1.00 14.13 H new ATOM 0 HA SER A 99 8.382 33.644 -12.193 1.00 1.14 H new ATOM 0 HB2 SER A 99 9.873 32.486 -13.761 1.00 41.43 H new ATOM 0 HB3 SER A 99 9.665 31.522 -12.312 1.00 41.43 H new ATOM 0 HG SER A 99 8.285 30.139 -13.398 1.00 70.30 H new ATOM 1457 N ASN A 100 6.055 32.841 -14.225 1.00 4.34 N ATOM 1458 CA ASN A 100 5.258 33.273 -15.367 1.00 12.43 C ATOM 1459 C ASN A 100 4.717 34.683 -15.150 1.00 15.20 C ATOM 1460 O ASN A 100 4.444 35.409 -16.106 1.00 32.55 O ATOM 1461 CB ASN A 100 4.100 32.301 -15.604 1.00 3.42 C ATOM 1462 CG ASN A 100 3.702 32.222 -17.065 1.00 0.01 C ATOM 1463 OD1 ASN A 100 3.993 33.125 -17.849 1.00 42.31 O ATOM 1464 ND2 ASN A 100 3.032 31.138 -17.437 1.00 62.43 N ATOM 0 H ASN A 100 5.606 32.136 -13.640 1.00 4.34 H new ATOM 0 HA ASN A 100 5.902 33.281 -16.246 1.00 12.43 H new ATOM 0 HB2 ASN A 100 4.384 31.309 -15.253 1.00 3.42 H new ATOM 0 HB3 ASN A 100 3.240 32.614 -15.012 1.00 3.42 H new ATOM 0 HD21 ASN A 100 2.737 31.029 -18.407 1.00 62.43 H new ATOM 0 HD22 ASN A 100 2.812 30.414 -16.753 1.00 62.43 H new