USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 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 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 151:sc= 0.113 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.966 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 145:sc= -0.272 (180deg=-2.32!) USER MOD Single : A 51 GLN : amide:sc=-0.00484 X(o=-0.0048,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0135 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -6.8! C(o=-6.8!,f=-1.8!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -167:sc= -4.29! USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00424) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,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 163:sc= 0.612 USER MOD Single : A 100 ASN : amide:sc= -0.0243 K(o=-0.024,f=0.52) USER MOD ----------------------------------------------------------------- ATOM 246 N GLU A 20 19.236 31.118 -17.832 1.00 64.25 N ATOM 247 CA GLU A 20 18.573 30.940 -16.546 1.00 53.23 C ATOM 248 C GLU A 20 17.106 31.352 -16.630 1.00 35.43 C ATOM 249 O GLU A 20 16.679 32.345 -16.041 1.00 33.14 O ATOM 250 CB GLU A 20 19.282 31.757 -15.464 1.00 60.02 C ATOM 251 CG GLU A 20 19.881 33.056 -15.977 1.00 22.23 C ATOM 252 CD GLU A 20 18.874 33.908 -16.725 1.00 63.51 C ATOM 253 OE1 GLU A 20 18.117 34.648 -16.064 1.00 14.04 O ATOM 254 OE2 GLU A 20 18.844 33.834 -17.971 1.00 75.41 O ATOM 0 HA GLU A 20 18.622 29.883 -16.284 1.00 53.23 H new ATOM 0 HB2 GLU A 20 18.573 31.983 -14.668 1.00 60.02 H new ATOM 0 HB3 GLU A 20 20.073 31.151 -15.023 1.00 60.02 H new ATOM 0 HG2 GLU A 20 20.279 33.625 -15.137 1.00 22.23 H new ATOM 0 HG3 GLU A 20 20.720 32.830 -16.635 1.00 22.23 H new ATOM 261 N PRO A 21 16.314 30.571 -17.380 1.00 22.51 N ATOM 262 CA PRO A 21 14.883 30.833 -17.559 1.00 21.01 C ATOM 263 C PRO A 21 14.084 30.585 -16.284 1.00 4.32 C ATOM 264 O PRO A 21 12.922 30.975 -16.183 1.00 33.44 O ATOM 265 CB PRO A 21 14.474 29.838 -18.648 1.00 53.41 C ATOM 266 CG PRO A 21 15.465 28.731 -18.542 1.00 14.21 C ATOM 267 CD PRO A 21 16.755 29.371 -18.111 1.00 24.45 C ATOM 0 HA PRO A 21 14.689 31.874 -17.818 1.00 21.01 H new ATOM 0 HB2 PRO A 21 13.458 29.476 -18.492 1.00 53.41 H new ATOM 0 HB3 PRO A 21 14.500 30.299 -19.635 1.00 53.41 H new ATOM 0 HG2 PRO A 21 15.139 27.983 -17.819 1.00 14.21 H new ATOM 0 HG3 PRO A 21 15.583 28.220 -19.497 1.00 14.21 H new ATOM 0 HD2 PRO A 21 17.341 28.706 -17.476 1.00 24.45 H new ATOM 0 HD3 PRO A 21 17.381 29.629 -18.965 1.00 24.45 H new ATOM 275 N GLY A 22 14.717 29.935 -15.311 1.00 53.15 N ATOM 276 CA GLY A 22 14.049 29.647 -14.055 1.00 42.25 C ATOM 277 C GLY A 22 13.912 30.875 -13.177 1.00 72.12 C ATOM 278 O GLY A 22 13.209 30.848 -12.167 1.00 54.52 O ATOM 0 H GLY A 22 15.680 29.603 -15.370 1.00 53.15 H new ATOM 0 HA2 GLY A 22 13.060 29.237 -14.259 1.00 42.25 H new ATOM 0 HA3 GLY A 22 14.607 28.880 -13.518 1.00 42.25 H new ATOM 282 N SER A 23 14.587 31.954 -13.561 1.00 75.22 N ATOM 283 CA SER A 23 14.541 33.196 -12.798 1.00 70.41 C ATOM 284 C SER A 23 13.113 33.725 -12.707 1.00 0.02 C ATOM 285 O SER A 23 12.338 33.621 -13.657 1.00 23.43 O ATOM 286 CB SER A 23 15.447 34.248 -13.441 1.00 72.40 C ATOM 287 OG SER A 23 14.800 34.879 -14.533 1.00 23.14 O ATOM 0 H SER A 23 15.172 31.993 -14.396 1.00 75.22 H new ATOM 0 HA SER A 23 14.898 32.987 -11.789 1.00 70.41 H new ATOM 0 HB2 SER A 23 15.726 34.995 -12.698 1.00 72.40 H new ATOM 0 HB3 SER A 23 16.369 33.778 -13.783 1.00 72.40 H new ATOM 0 HG SER A 23 15.399 35.548 -14.926 1.00 23.14 H new ATOM 293 N GLY A 24 12.772 34.294 -11.555 1.00 10.35 N ATOM 294 CA GLY A 24 11.438 34.832 -11.359 1.00 23.12 C ATOM 295 C GLY A 24 10.761 34.267 -10.126 1.00 75.34 C ATOM 296 O GLY A 24 9.555 34.434 -9.940 1.00 61.31 O ATOM 0 H GLY A 24 13.396 34.392 -10.754 1.00 10.35 H new ATOM 0 HA2 GLY A 24 11.496 35.917 -11.273 1.00 23.12 H new ATOM 0 HA3 GLY A 24 10.829 34.614 -12.236 1.00 23.12 H new ATOM 300 N VAL A 25 11.536 33.594 -9.282 1.00 63.23 N ATOM 301 CA VAL A 25 11.004 33.001 -8.061 1.00 53.13 C ATOM 302 C VAL A 25 12.001 33.116 -6.914 1.00 41.31 C ATOM 303 O VAL A 25 13.211 33.175 -7.134 1.00 0.44 O ATOM 304 CB VAL A 25 10.645 31.518 -8.268 1.00 35.42 C ATOM 305 CG1 VAL A 25 9.871 30.984 -7.072 1.00 74.11 C ATOM 306 CG2 VAL A 25 9.850 31.336 -9.552 1.00 55.20 C ATOM 0 H VAL A 25 12.535 33.446 -9.422 1.00 63.23 H new ATOM 0 HA VAL A 25 10.100 33.554 -7.809 1.00 53.13 H new ATOM 0 HB VAL A 25 11.570 30.948 -8.357 1.00 35.42 H new ATOM 0 HG11 VAL A 25 9.626 29.935 -7.236 1.00 74.11 H new ATOM 0 HG12 VAL A 25 10.480 31.078 -6.173 1.00 74.11 H new ATOM 0 HG13 VAL A 25 8.952 31.556 -6.949 1.00 74.11 H new ATOM 0 HG21 VAL A 25 9.605 30.282 -9.682 1.00 55.20 H new ATOM 0 HG22 VAL A 25 8.930 31.918 -9.496 1.00 55.20 H new ATOM 0 HG23 VAL A 25 10.444 31.678 -10.399 1.00 55.20 H new ATOM 316 N ARG A 26 11.485 33.147 -5.690 1.00 3.13 N ATOM 317 CA ARG A 26 12.331 33.256 -4.507 1.00 32.10 C ATOM 318 C ARG A 26 12.068 32.103 -3.543 1.00 21.31 C ATOM 319 O ARG A 26 11.153 32.164 -2.721 1.00 72.24 O ATOM 320 CB ARG A 26 12.087 34.591 -3.801 1.00 30.24 C ATOM 321 CG ARG A 26 12.972 34.806 -2.584 1.00 14.44 C ATOM 322 CD ARG A 26 12.200 35.448 -1.441 1.00 4.30 C ATOM 323 NE ARG A 26 13.071 36.220 -0.558 1.00 64.41 N ATOM 324 CZ ARG A 26 12.621 37.052 0.374 1.00 44.30 C ATOM 325 NH1 ARG A 26 11.317 37.220 0.544 1.00 43.10 N ATOM 326 NH2 ARG A 26 13.477 37.719 1.139 1.00 72.23 N ATOM 0 H ARG A 26 10.486 33.098 -5.491 1.00 3.13 H new ATOM 0 HA ARG A 26 13.371 33.208 -4.829 1.00 32.10 H new ATOM 0 HB2 ARG A 26 12.254 35.403 -4.509 1.00 30.24 H new ATOM 0 HB3 ARG A 26 11.042 34.645 -3.494 1.00 30.24 H new ATOM 0 HG2 ARG A 26 13.381 33.850 -2.257 1.00 14.44 H new ATOM 0 HG3 ARG A 26 13.817 35.439 -2.854 1.00 14.44 H new ATOM 0 HD2 ARG A 26 11.426 36.099 -1.847 1.00 4.30 H new ATOM 0 HD3 ARG A 26 11.694 34.673 -0.865 1.00 4.30 H new ATOM 0 HE ARG A 26 14.080 36.114 -0.663 1.00 64.41 H new ATOM 0 HH11 ARG A 26 10.656 36.709 -0.042 1.00 43.10 H new ATOM 0 HH12 ARG A 26 10.974 37.860 1.261 1.00 43.10 H new ATOM 0 HH21 ARG A 26 14.481 37.593 1.011 1.00 72.23 H new ATOM 0 HH22 ARG A 26 13.131 38.358 1.855 1.00 72.23 H new ATOM 340 N ILE A 27 12.876 31.053 -3.650 1.00 1.31 N ATOM 341 CA ILE A 27 12.731 29.887 -2.788 1.00 1.15 C ATOM 342 C ILE A 27 13.149 30.206 -1.356 1.00 45.33 C ATOM 343 O ILE A 27 14.072 30.989 -1.127 1.00 53.15 O ATOM 344 CB ILE A 27 13.566 28.699 -3.302 1.00 11.43 C ATOM 345 CG1 ILE A 27 13.305 28.472 -4.792 1.00 71.21 C ATOM 346 CG2 ILE A 27 13.247 27.443 -2.505 1.00 11.44 C ATOM 347 CD1 ILE A 27 14.196 27.415 -5.407 1.00 13.11 C ATOM 0 H ILE A 27 13.638 30.986 -4.325 1.00 1.31 H new ATOM 0 HA ILE A 27 11.676 29.613 -2.804 1.00 1.15 H new ATOM 0 HB ILE A 27 14.623 28.931 -3.169 1.00 11.43 H new ATOM 0 HG12 ILE A 27 12.263 28.183 -4.930 1.00 71.21 H new ATOM 0 HG13 ILE A 27 13.448 29.412 -5.325 1.00 71.21 H new ATOM 0 HG21 ILE A 27 13.845 26.612 -2.880 1.00 11.44 H new ATOM 0 HG22 ILE A 27 13.479 27.611 -1.453 1.00 11.44 H new ATOM 0 HG23 ILE A 27 12.189 27.205 -2.610 1.00 11.44 H new ATOM 0 HD11 ILE A 27 13.956 27.307 -6.465 1.00 13.11 H new ATOM 0 HD12 ILE A 27 15.239 27.712 -5.300 1.00 13.11 H new ATOM 0 HD13 ILE A 27 14.036 26.464 -4.900 1.00 13.11 H new ATOM 359 N VAL A 28 12.466 29.593 -0.395 1.00 50.30 N ATOM 360 CA VAL A 28 12.768 29.809 1.015 1.00 42.41 C ATOM 361 C VAL A 28 12.420 28.580 1.846 1.00 31.13 C ATOM 362 O VAL A 28 11.275 28.403 2.264 1.00 43.40 O ATOM 363 CB VAL A 28 12.005 31.026 1.572 1.00 22.34 C ATOM 364 CG1 VAL A 28 12.302 31.209 3.053 1.00 15.30 C ATOM 365 CG2 VAL A 28 12.359 32.281 0.790 1.00 65.04 C ATOM 0 H VAL A 28 11.699 28.943 -0.567 1.00 50.30 H new ATOM 0 HA VAL A 28 13.839 29.999 1.084 1.00 42.41 H new ATOM 0 HB VAL A 28 10.936 30.846 1.459 1.00 22.34 H new ATOM 0 HG11 VAL A 28 11.755 32.073 3.430 1.00 15.30 H new ATOM 0 HG12 VAL A 28 11.993 30.318 3.599 1.00 15.30 H new ATOM 0 HG13 VAL A 28 13.371 31.368 3.193 1.00 15.30 H new ATOM 0 HG21 VAL A 28 11.811 33.130 1.197 1.00 65.04 H new ATOM 0 HG22 VAL A 28 13.430 32.469 0.869 1.00 65.04 H new ATOM 0 HG23 VAL A 28 12.091 32.145 -0.258 1.00 65.04 H new ATOM 375 N VAL A 29 13.415 27.732 2.084 1.00 63.52 N ATOM 376 CA VAL A 29 13.215 26.518 2.867 1.00 1.33 C ATOM 377 C VAL A 29 13.164 26.829 4.359 1.00 54.52 C ATOM 378 O VAL A 29 14.199 26.959 5.011 1.00 14.34 O ATOM 379 CB VAL A 29 14.333 25.491 2.607 1.00 51.13 C ATOM 380 CG1 VAL A 29 14.020 24.174 3.300 1.00 72.34 C ATOM 381 CG2 VAL A 29 14.528 25.284 1.112 1.00 34.13 C ATOM 0 H VAL A 29 14.368 27.863 1.746 1.00 63.52 H new ATOM 0 HA VAL A 29 12.261 26.093 2.554 1.00 1.33 H new ATOM 0 HB VAL A 29 15.263 25.879 3.021 1.00 51.13 H new ATOM 0 HG11 VAL A 29 14.821 23.461 3.105 1.00 72.34 H new ATOM 0 HG12 VAL A 29 13.935 24.339 4.374 1.00 72.34 H new ATOM 0 HG13 VAL A 29 13.080 23.777 2.918 1.00 72.34 H new ATOM 0 HG21 VAL A 29 15.322 24.555 0.946 1.00 34.13 H new ATOM 0 HG22 VAL A 29 13.601 24.917 0.671 1.00 34.13 H new ATOM 0 HG23 VAL A 29 14.801 26.231 0.646 1.00 34.13 H new ATOM 391 N GLU A 30 11.951 26.947 4.892 1.00 44.23 N ATOM 392 CA GLU A 30 11.765 27.244 6.307 1.00 25.33 C ATOM 393 C GLU A 30 11.978 25.994 7.157 1.00 14.22 C ATOM 394 O GLU A 30 11.130 25.101 7.190 1.00 5.30 O ATOM 395 CB GLU A 30 10.365 27.809 6.553 1.00 2.31 C ATOM 396 CG GLU A 30 10.236 28.568 7.863 1.00 25.34 C ATOM 397 CD GLU A 30 10.272 30.072 7.673 1.00 21.40 C ATOM 398 OE1 GLU A 30 10.756 30.525 6.615 1.00 72.01 O ATOM 399 OE2 GLU A 30 9.816 30.795 8.583 1.00 13.20 O ATOM 0 H GLU A 30 11.084 26.841 4.365 1.00 44.23 H new ATOM 0 HA GLU A 30 12.505 27.990 6.596 1.00 25.33 H new ATOM 0 HB2 GLU A 30 10.101 28.474 5.730 1.00 2.31 H new ATOM 0 HB3 GLU A 30 9.645 26.990 6.545 1.00 2.31 H new ATOM 0 HG2 GLU A 30 9.301 28.289 8.349 1.00 25.34 H new ATOM 0 HG3 GLU A 30 11.044 28.271 8.532 1.00 25.34 H new ATOM 406 N TYR A 31 13.114 25.938 7.843 1.00 40.43 N ATOM 407 CA TYR A 31 13.440 24.798 8.691 1.00 71.24 C ATOM 408 C TYR A 31 14.182 25.246 9.946 1.00 41.53 C ATOM 409 O TYR A 31 14.729 26.348 9.998 1.00 43.44 O ATOM 410 CB TYR A 31 14.288 23.787 7.917 1.00 31.43 C ATOM 411 CG TYR A 31 15.673 24.290 7.581 1.00 65.21 C ATOM 412 CD1 TYR A 31 16.710 24.200 8.502 1.00 35.31 C ATOM 413 CD2 TYR A 31 15.947 24.854 6.341 1.00 54.50 C ATOM 414 CE1 TYR A 31 17.977 24.659 8.199 1.00 34.11 C ATOM 415 CE2 TYR A 31 17.211 25.315 6.029 1.00 61.02 C ATOM 416 CZ TYR A 31 18.223 25.215 6.961 1.00 15.53 C ATOM 417 OH TYR A 31 19.484 25.673 6.655 1.00 32.21 O ATOM 0 H TYR A 31 13.825 26.669 7.828 1.00 40.43 H new ATOM 0 HA TYR A 31 12.506 24.324 8.994 1.00 71.24 H new ATOM 0 HB2 TYR A 31 14.375 22.873 8.505 1.00 31.43 H new ATOM 0 HB3 TYR A 31 13.772 23.524 6.994 1.00 31.43 H new ATOM 0 HD1 TYR A 31 16.522 23.763 9.472 1.00 35.31 H new ATOM 0 HD2 TYR A 31 15.158 24.933 5.608 1.00 54.50 H new ATOM 0 HE1 TYR A 31 18.771 24.583 8.927 1.00 34.11 H new ATOM 0 HE2 TYR A 31 17.406 25.751 5.061 1.00 61.02 H new ATOM 0 HH TYR A 31 19.634 25.597 5.690 1.00 32.21 H new ATOM 427 N CYS A 32 14.197 24.384 10.956 1.00 30.14 N ATOM 428 CA CYS A 32 14.871 24.688 12.213 1.00 43.55 C ATOM 429 C CYS A 32 16.384 24.552 12.065 1.00 31.50 C ATOM 430 O CYS A 32 16.915 23.442 12.022 1.00 10.43 O ATOM 431 CB CYS A 32 14.370 23.762 13.322 1.00 1.13 C ATOM 432 SG CYS A 32 15.343 23.850 14.860 1.00 61.31 S ATOM 0 H CYS A 32 13.750 23.468 10.929 1.00 30.14 H new ATOM 0 HA CYS A 32 14.641 25.719 12.480 1.00 43.55 H new ATOM 0 HB2 CYS A 32 13.332 24.010 13.546 1.00 1.13 H new ATOM 0 HB3 CYS A 32 14.381 22.735 12.956 1.00 1.13 H new ATOM 437 N GLU A 33 17.071 25.687 11.988 1.00 13.22 N ATOM 438 CA GLU A 33 18.522 25.693 11.845 1.00 52.40 C ATOM 439 C GLU A 33 19.182 24.894 12.965 1.00 45.52 C ATOM 440 O GLU A 33 19.852 23.888 12.732 1.00 73.30 O ATOM 441 CB GLU A 33 19.051 27.129 11.847 1.00 13.24 C ATOM 442 CG GLU A 33 19.510 27.611 10.482 1.00 64.24 C ATOM 443 CD GLU A 33 20.926 27.176 10.156 1.00 40.12 C ATOM 444 OE1 GLU A 33 21.122 25.986 9.833 1.00 5.02 O ATOM 445 OE2 GLU A 33 21.838 28.027 10.223 1.00 14.23 O ATOM 0 H GLU A 33 16.646 26.614 12.022 1.00 13.22 H new ATOM 0 HA GLU A 33 18.770 25.224 10.893 1.00 52.40 H new ATOM 0 HB2 GLU A 33 18.270 27.794 12.214 1.00 13.24 H new ATOM 0 HB3 GLU A 33 19.884 27.199 12.547 1.00 13.24 H new ATOM 0 HG2 GLU A 33 18.832 27.229 9.719 1.00 64.24 H new ATOM 0 HG3 GLU A 33 19.451 28.699 10.446 1.00 64.24 H new ATOM 452 N PRO A 34 18.991 25.353 14.211 1.00 44.44 N ATOM 453 CA PRO A 34 19.560 24.697 15.392 1.00 50.42 C ATOM 454 C PRO A 34 18.902 23.353 15.681 1.00 31.42 C ATOM 455 O PRO A 34 18.342 23.142 16.758 1.00 44.52 O ATOM 456 CB PRO A 34 19.271 25.689 16.522 1.00 75.52 C ATOM 457 CG PRO A 34 18.080 26.455 16.058 1.00 44.13 C ATOM 458 CD PRO A 34 18.205 26.548 14.562 1.00 30.31 C ATOM 0 HA PRO A 34 20.619 24.473 15.264 1.00 50.42 H new ATOM 0 HB2 PRO A 34 19.069 25.172 17.460 1.00 75.52 H new ATOM 0 HB3 PRO A 34 20.122 26.348 16.698 1.00 75.52 H new ATOM 0 HG2 PRO A 34 17.156 25.950 16.342 1.00 44.13 H new ATOM 0 HG3 PRO A 34 18.053 27.447 16.510 1.00 44.13 H new ATOM 0 HD2 PRO A 34 17.229 26.544 14.076 1.00 30.31 H new ATOM 0 HD3 PRO A 34 18.710 27.465 14.257 1.00 30.31 H new ATOM 466 N CYS A 35 18.973 22.444 14.714 1.00 52.20 N ATOM 467 CA CYS A 35 18.384 21.119 14.864 1.00 21.13 C ATOM 468 C CYS A 35 19.179 20.079 14.080 1.00 33.40 C ATOM 469 O CYS A 35 19.424 18.975 14.564 1.00 21.25 O ATOM 470 CB CYS A 35 16.929 21.128 14.392 1.00 71.21 C ATOM 471 SG CYS A 35 15.771 21.902 15.566 1.00 52.13 S ATOM 0 H CYS A 35 19.433 22.601 13.817 1.00 52.20 H new ATOM 0 HA CYS A 35 18.414 20.853 15.921 1.00 21.13 H new ATOM 0 HB2 CYS A 35 16.870 21.655 13.440 1.00 71.21 H new ATOM 0 HB3 CYS A 35 16.611 20.102 14.208 1.00 71.21 H new ATOM 476 N GLY A 36 19.578 20.440 12.864 1.00 4.14 N ATOM 477 CA GLY A 36 20.341 19.528 12.032 1.00 30.25 C ATOM 478 C GLY A 36 19.686 19.285 10.687 1.00 2.21 C ATOM 479 O GLY A 36 20.099 18.399 9.938 1.00 34.05 O ATOM 0 H GLY A 36 19.386 21.348 12.440 1.00 4.14 H new ATOM 0 HA2 GLY A 36 21.341 19.932 11.878 1.00 30.25 H new ATOM 0 HA3 GLY A 36 20.458 18.578 12.553 1.00 30.25 H new ATOM 483 N PHE A 37 18.661 20.073 10.379 1.00 44.11 N ATOM 484 CA PHE A 37 17.946 19.938 9.115 1.00 30.14 C ATOM 485 C PHE A 37 18.690 20.651 7.990 1.00 13.52 C ATOM 486 O PHE A 37 18.288 20.587 6.829 1.00 40.11 O ATOM 487 CB PHE A 37 16.530 20.502 9.244 1.00 54.21 C ATOM 488 CG PHE A 37 15.604 19.624 10.037 1.00 3.42 C ATOM 489 CD1 PHE A 37 15.853 19.363 11.375 1.00 0.40 C ATOM 490 CD2 PHE A 37 14.486 19.061 9.445 1.00 35.23 C ATOM 491 CE1 PHE A 37 15.004 18.555 12.107 1.00 54.41 C ATOM 492 CE2 PHE A 37 13.632 18.252 10.172 1.00 1.33 C ATOM 493 CZ PHE A 37 13.891 18.000 11.505 1.00 1.22 C ATOM 0 H PHE A 37 18.307 20.811 10.987 1.00 44.11 H new ATOM 0 HA PHE A 37 17.886 18.877 8.871 1.00 30.14 H new ATOM 0 HB2 PHE A 37 16.580 21.483 9.716 1.00 54.21 H new ATOM 0 HB3 PHE A 37 16.114 20.649 8.247 1.00 54.21 H new ATOM 0 HD1 PHE A 37 16.720 19.796 11.851 1.00 0.40 H new ATOM 0 HD2 PHE A 37 14.279 19.256 8.403 1.00 35.23 H new ATOM 0 HE1 PHE A 37 15.210 18.357 13.149 1.00 54.41 H new ATOM 0 HE2 PHE A 37 12.764 17.818 9.698 1.00 1.33 H new ATOM 0 HZ PHE A 37 13.225 17.370 12.076 1.00 1.22 H new ATOM 503 N GLU A 38 19.776 21.332 8.345 1.00 74.53 N ATOM 504 CA GLU A 38 20.575 22.058 7.365 1.00 14.42 C ATOM 505 C GLU A 38 21.343 21.094 6.467 1.00 65.13 C ATOM 506 O GLU A 38 21.867 21.484 5.424 1.00 52.24 O ATOM 507 CB GLU A 38 21.550 23.004 8.070 1.00 72.31 C ATOM 508 CG GLU A 38 22.256 23.963 7.127 1.00 51.40 C ATOM 509 CD GLU A 38 23.110 24.979 7.860 1.00 2.04 C ATOM 510 OE1 GLU A 38 24.033 24.562 8.590 1.00 4.04 O ATOM 511 OE2 GLU A 38 22.855 26.192 7.704 1.00 61.44 O ATOM 0 H GLU A 38 20.122 21.396 9.303 1.00 74.53 H new ATOM 0 HA GLU A 38 19.898 22.643 6.743 1.00 14.42 H new ATOM 0 HB2 GLU A 38 21.007 23.579 8.820 1.00 72.31 H new ATOM 0 HB3 GLU A 38 22.297 22.413 8.600 1.00 72.31 H new ATOM 0 HG2 GLU A 38 22.883 23.395 6.440 1.00 51.40 H new ATOM 0 HG3 GLU A 38 21.514 24.486 6.524 1.00 51.40 H new ATOM 518 N ALA A 39 21.407 19.833 6.880 1.00 24.45 N ATOM 519 CA ALA A 39 22.110 18.812 6.114 1.00 64.35 C ATOM 520 C ALA A 39 21.327 18.428 4.863 1.00 33.51 C ATOM 521 O ALA A 39 21.893 17.924 3.892 1.00 20.25 O ATOM 522 CB ALA A 39 22.365 17.585 6.977 1.00 41.02 C ATOM 0 H ALA A 39 20.980 19.494 7.742 1.00 24.45 H new ATOM 0 HA ALA A 39 23.068 19.226 5.799 1.00 64.35 H new ATOM 0 HB1 ALA A 39 22.891 16.831 6.391 1.00 41.02 H new ATOM 0 HB2 ALA A 39 22.973 17.865 7.837 1.00 41.02 H new ATOM 0 HB3 ALA A 39 21.414 17.179 7.322 1.00 41.02 H new ATOM 528 N THR A 40 20.019 18.668 4.893 1.00 64.45 N ATOM 529 CA THR A 40 19.157 18.345 3.762 1.00 5.04 C ATOM 530 C THR A 40 18.882 19.579 2.911 1.00 1.11 C ATOM 531 O THR A 40 18.467 19.469 1.757 1.00 45.20 O ATOM 532 CB THR A 40 17.817 17.749 4.231 1.00 74.22 C ATOM 533 OG1 THR A 40 18.047 16.749 5.229 1.00 23.34 O ATOM 534 CG2 THR A 40 17.057 17.140 3.062 1.00 64.33 C ATOM 0 H THR A 40 19.534 19.085 5.688 1.00 64.45 H new ATOM 0 HA THR A 40 19.686 17.604 3.162 1.00 5.04 H new ATOM 0 HB THR A 40 17.216 18.553 4.656 1.00 74.22 H new ATOM 0 HG1 THR A 40 17.189 16.377 5.523 1.00 23.34 H new ATOM 0 HG21 THR A 40 16.114 16.725 3.418 1.00 64.33 H new ATOM 0 HG22 THR A 40 16.857 17.910 2.317 1.00 64.33 H new ATOM 0 HG23 THR A 40 17.655 16.347 2.612 1.00 64.33 H new ATOM 542 N TYR A 41 19.115 20.753 3.487 1.00 45.22 N ATOM 543 CA TYR A 41 18.891 22.009 2.781 1.00 73.13 C ATOM 544 C TYR A 41 20.089 22.364 1.906 1.00 3.32 C ATOM 545 O TYR A 41 19.944 23.002 0.862 1.00 22.04 O ATOM 546 CB TYR A 41 18.620 23.137 3.777 1.00 12.32 C ATOM 547 CG TYR A 41 18.676 24.517 3.160 1.00 22.52 C ATOM 548 CD1 TYR A 41 17.619 25.003 2.402 1.00 54.34 C ATOM 549 CD2 TYR A 41 19.787 25.332 3.335 1.00 40.52 C ATOM 550 CE1 TYR A 41 17.666 26.262 1.835 1.00 11.53 C ATOM 551 CE2 TYR A 41 19.842 26.594 2.774 1.00 63.54 C ATOM 552 CZ TYR A 41 18.780 27.054 2.025 1.00 75.14 C ATOM 553 OH TYR A 41 18.831 28.309 1.463 1.00 64.04 O ATOM 0 H TYR A 41 19.459 20.861 4.441 1.00 45.22 H new ATOM 0 HA TYR A 41 18.020 21.884 2.138 1.00 73.13 H new ATOM 0 HB2 TYR A 41 17.637 22.988 4.224 1.00 12.32 H new ATOM 0 HB3 TYR A 41 19.349 23.080 4.585 1.00 12.32 H new ATOM 0 HD1 TYR A 41 16.745 24.386 2.253 1.00 54.34 H new ATOM 0 HD2 TYR A 41 20.622 24.974 3.919 1.00 40.52 H new ATOM 0 HE1 TYR A 41 16.836 26.624 1.247 1.00 11.53 H new ATOM 0 HE2 TYR A 41 20.712 27.216 2.922 1.00 63.54 H new ATOM 0 HH TYR A 41 19.683 28.736 1.693 1.00 64.04 H new ATOM 563 N LEU A 42 21.274 21.947 2.339 1.00 34.35 N ATOM 564 CA LEU A 42 22.499 22.219 1.597 1.00 5.31 C ATOM 565 C LEU A 42 22.640 21.271 0.411 1.00 53.15 C ATOM 566 O LEU A 42 22.973 21.693 -0.696 1.00 70.44 O ATOM 567 CB LEU A 42 23.715 22.088 2.516 1.00 44.01 C ATOM 568 CG LEU A 42 24.338 23.399 2.996 1.00 2.33 C ATOM 569 CD1 LEU A 42 23.307 24.243 3.729 1.00 52.43 C ATOM 570 CD2 LEU A 42 25.537 23.124 3.892 1.00 64.53 C ATOM 0 H LEU A 42 21.412 21.419 3.201 1.00 34.35 H new ATOM 0 HA LEU A 42 22.445 23.240 1.218 1.00 5.31 H new ATOM 0 HB2 LEU A 42 23.423 21.506 3.390 1.00 44.01 H new ATOM 0 HB3 LEU A 42 24.481 21.515 1.993 1.00 44.01 H new ATOM 0 HG LEU A 42 24.681 23.956 2.124 1.00 2.33 H new ATOM 0 HD11 LEU A 42 23.769 25.172 4.063 1.00 52.43 H new ATOM 0 HD12 LEU A 42 22.479 24.470 3.058 1.00 52.43 H new ATOM 0 HD13 LEU A 42 22.933 23.692 4.592 1.00 52.43 H new ATOM 0 HD21 LEU A 42 25.967 24.069 4.224 1.00 64.53 H new ATOM 0 HD22 LEU A 42 25.218 22.546 4.759 1.00 64.53 H new ATOM 0 HD23 LEU A 42 26.285 22.560 3.335 1.00 64.53 H new ATOM 582 N GLU A 43 22.381 19.989 0.650 1.00 51.30 N ATOM 583 CA GLU A 43 22.477 18.982 -0.400 1.00 43.10 C ATOM 584 C GLU A 43 21.682 19.403 -1.632 1.00 53.14 C ATOM 585 O GLU A 43 22.168 19.311 -2.760 1.00 73.15 O ATOM 586 CB GLU A 43 21.971 17.631 0.110 1.00 2.32 C ATOM 587 CG GLU A 43 22.986 16.881 0.956 1.00 65.13 C ATOM 588 CD GLU A 43 23.870 15.965 0.131 1.00 53.02 C ATOM 589 OE1 GLU A 43 24.211 16.341 -1.010 1.00 71.24 O ATOM 590 OE2 GLU A 43 24.219 14.873 0.626 1.00 42.25 O ATOM 0 H GLU A 43 22.103 19.624 1.561 1.00 51.30 H new ATOM 0 HA GLU A 43 23.526 18.886 -0.681 1.00 43.10 H new ATOM 0 HB2 GLU A 43 21.067 17.790 0.698 1.00 2.32 H new ATOM 0 HB3 GLU A 43 21.692 17.011 -0.742 1.00 2.32 H new ATOM 0 HG2 GLU A 43 23.610 17.598 1.489 1.00 65.13 H new ATOM 0 HG3 GLU A 43 22.462 16.293 1.709 1.00 65.13 H new ATOM 597 N LEU A 44 20.456 19.865 -1.409 1.00 24.33 N ATOM 598 CA LEU A 44 19.592 20.300 -2.500 1.00 73.11 C ATOM 599 C LEU A 44 19.984 21.692 -2.984 1.00 45.01 C ATOM 600 O LEU A 44 19.838 22.014 -4.163 1.00 10.44 O ATOM 601 CB LEU A 44 18.130 20.297 -2.051 1.00 15.54 C ATOM 602 CG LEU A 44 17.726 21.401 -1.072 1.00 25.13 C ATOM 603 CD1 LEU A 44 17.274 22.643 -1.824 1.00 32.40 C ATOM 604 CD2 LEU A 44 16.629 20.911 -0.138 1.00 62.12 C ATOM 0 H LEU A 44 20.038 19.948 -0.482 1.00 24.33 H new ATOM 0 HA LEU A 44 19.713 19.601 -3.327 1.00 73.11 H new ATOM 0 HB2 LEU A 44 17.499 20.375 -2.936 1.00 15.54 H new ATOM 0 HB3 LEU A 44 17.914 19.333 -1.590 1.00 15.54 H new ATOM 0 HG LEU A 44 18.597 21.663 -0.471 1.00 25.13 H new ATOM 0 HD11 LEU A 44 16.991 23.417 -1.111 1.00 32.40 H new ATOM 0 HD12 LEU A 44 18.089 23.007 -2.449 1.00 32.40 H new ATOM 0 HD13 LEU A 44 16.417 22.397 -2.452 1.00 32.40 H new ATOM 0 HD21 LEU A 44 16.354 21.710 0.551 1.00 62.12 H new ATOM 0 HD22 LEU A 44 15.756 20.620 -0.723 1.00 62.12 H new ATOM 0 HD23 LEU A 44 16.990 20.052 0.427 1.00 62.12 H new ATOM 616 N ALA A 45 20.486 22.512 -2.066 1.00 40.25 N ATOM 617 CA ALA A 45 20.904 23.868 -2.401 1.00 22.05 C ATOM 618 C ALA A 45 22.105 23.856 -3.340 1.00 51.35 C ATOM 619 O ALA A 45 22.252 24.739 -4.186 1.00 20.21 O ATOM 620 CB ALA A 45 21.230 24.647 -1.135 1.00 31.23 C ATOM 0 H ALA A 45 20.613 22.261 -1.086 1.00 40.25 H new ATOM 0 HA ALA A 45 20.078 24.360 -2.915 1.00 22.05 H new ATOM 0 HB1 ALA A 45 21.541 25.658 -1.400 1.00 31.23 H new ATOM 0 HB2 ALA A 45 20.346 24.694 -0.499 1.00 31.23 H new ATOM 0 HB3 ALA A 45 22.037 24.148 -0.598 1.00 31.23 H new ATOM 626 N SER A 46 22.961 22.852 -3.187 1.00 23.54 N ATOM 627 CA SER A 46 24.152 22.728 -4.019 1.00 61.21 C ATOM 628 C SER A 46 23.775 22.406 -5.462 1.00 2.00 C ATOM 629 O SER A 46 24.566 22.611 -6.382 1.00 63.21 O ATOM 630 CB SER A 46 25.076 21.640 -3.467 1.00 13.54 C ATOM 631 OG SER A 46 26.197 21.447 -4.311 1.00 23.32 O ATOM 0 H SER A 46 22.852 22.112 -2.494 1.00 23.54 H new ATOM 0 HA SER A 46 24.677 23.683 -4.003 1.00 61.21 H new ATOM 0 HB2 SER A 46 25.412 21.917 -2.468 1.00 13.54 H new ATOM 0 HB3 SER A 46 24.524 20.705 -3.370 1.00 13.54 H new ATOM 0 HG SER A 46 26.773 20.748 -3.936 1.00 23.32 H new ATOM 637 N ALA A 47 22.561 21.901 -5.651 1.00 33.40 N ATOM 638 CA ALA A 47 22.077 21.552 -6.981 1.00 31.10 C ATOM 639 C ALA A 47 21.161 22.638 -7.534 1.00 54.11 C ATOM 640 O ALA A 47 21.359 23.124 -8.648 1.00 1.13 O ATOM 641 CB ALA A 47 21.352 20.215 -6.945 1.00 74.20 C ATOM 0 H ALA A 47 21.894 21.724 -4.900 1.00 33.40 H new ATOM 0 HA ALA A 47 22.938 21.468 -7.644 1.00 31.10 H new ATOM 0 HB1 ALA A 47 20.996 19.967 -7.945 1.00 74.20 H new ATOM 0 HB2 ALA A 47 22.036 19.439 -6.601 1.00 74.20 H new ATOM 0 HB3 ALA A 47 20.504 20.279 -6.264 1.00 74.20 H new ATOM 647 N VAL A 48 20.156 23.015 -6.749 1.00 70.34 N ATOM 648 CA VAL A 48 19.209 24.044 -7.161 1.00 10.12 C ATOM 649 C VAL A 48 19.925 25.348 -7.495 1.00 22.20 C ATOM 650 O VAL A 48 19.575 26.033 -8.456 1.00 41.10 O ATOM 651 CB VAL A 48 18.161 24.313 -6.064 1.00 42.34 C ATOM 652 CG1 VAL A 48 17.228 25.440 -6.482 1.00 63.21 C ATOM 653 CG2 VAL A 48 17.377 23.047 -5.755 1.00 54.15 C ATOM 0 H VAL A 48 19.977 22.623 -5.824 1.00 70.34 H new ATOM 0 HA VAL A 48 18.704 23.672 -8.052 1.00 10.12 H new ATOM 0 HB VAL A 48 18.680 24.621 -5.157 1.00 42.34 H new ATOM 0 HG11 VAL A 48 16.495 25.616 -5.695 1.00 63.21 H new ATOM 0 HG12 VAL A 48 17.807 26.349 -6.648 1.00 63.21 H new ATOM 0 HG13 VAL A 48 16.713 25.164 -7.402 1.00 63.21 H new ATOM 0 HG21 VAL A 48 16.641 23.255 -4.978 1.00 54.15 H new ATOM 0 HG22 VAL A 48 16.867 22.706 -6.656 1.00 54.15 H new ATOM 0 HG23 VAL A 48 18.060 22.271 -5.409 1.00 54.15 H new ATOM 663 N LYS A 49 20.931 25.685 -6.695 1.00 42.44 N ATOM 664 CA LYS A 49 21.700 26.906 -6.906 1.00 11.41 C ATOM 665 C LYS A 49 22.602 26.777 -8.129 1.00 40.31 C ATOM 666 O LYS A 49 22.985 27.777 -8.736 1.00 63.54 O ATOM 667 CB LYS A 49 22.543 27.223 -5.668 1.00 71.44 C ATOM 668 CG LYS A 49 23.404 28.465 -5.820 1.00 70.41 C ATOM 669 CD LYS A 49 22.593 29.647 -6.322 1.00 0.50 C ATOM 670 CE LYS A 49 21.400 29.928 -5.421 1.00 5.34 C ATOM 671 NZ LYS A 49 21.802 30.050 -3.992 1.00 12.33 N ATOM 0 H LYS A 49 21.233 25.130 -5.894 1.00 42.44 H new ATOM 0 HA LYS A 49 20.998 27.722 -7.079 1.00 11.41 H new ATOM 0 HB2 LYS A 49 21.881 27.353 -4.812 1.00 71.44 H new ATOM 0 HB3 LYS A 49 23.186 26.370 -5.448 1.00 71.44 H new ATOM 0 HG2 LYS A 49 23.857 28.715 -4.860 1.00 70.41 H new ATOM 0 HG3 LYS A 49 24.219 28.261 -6.514 1.00 70.41 H new ATOM 0 HD2 LYS A 49 23.229 30.531 -6.372 1.00 0.50 H new ATOM 0 HD3 LYS A 49 22.246 29.447 -7.336 1.00 0.50 H new ATOM 0 HE2 LYS A 49 20.912 30.849 -5.741 1.00 5.34 H new ATOM 0 HE3 LYS A 49 20.669 29.126 -5.526 1.00 5.34 H new ATOM 0 HZ1 LYS A 49 21.208 30.764 -3.524 1.00 12.33 H new ATOM 0 HZ2 LYS A 49 21.679 29.133 -3.517 1.00 12.33 H new ATOM 0 HZ3 LYS A 49 22.800 30.338 -3.935 1.00 12.33 H new ATOM 685 N GLU A 50 22.936 25.541 -8.485 1.00 74.31 N ATOM 686 CA GLU A 50 23.792 25.283 -9.637 1.00 21.23 C ATOM 687 C GLU A 50 22.959 24.937 -10.868 1.00 2.33 C ATOM 688 O GLU A 50 23.500 24.600 -11.920 1.00 42.14 O ATOM 689 CB GLU A 50 24.767 24.144 -9.331 1.00 34.55 C ATOM 690 CG GLU A 50 26.012 24.158 -10.201 1.00 22.34 C ATOM 691 CD GLU A 50 26.908 25.348 -9.917 1.00 61.14 C ATOM 692 OE1 GLU A 50 26.672 26.040 -8.905 1.00 31.33 O ATOM 693 OE2 GLU A 50 27.845 25.588 -10.708 1.00 34.33 O ATOM 0 H GLU A 50 22.627 24.703 -7.993 1.00 74.31 H new ATOM 0 HA GLU A 50 24.358 26.190 -9.846 1.00 21.23 H new ATOM 0 HB2 GLU A 50 25.065 24.204 -8.284 1.00 34.55 H new ATOM 0 HB3 GLU A 50 24.253 23.192 -9.462 1.00 34.55 H new ATOM 0 HG2 GLU A 50 26.574 23.238 -10.040 1.00 22.34 H new ATOM 0 HG3 GLU A 50 25.717 24.172 -11.250 1.00 22.34 H new ATOM 700 N GLN A 51 21.640 25.024 -10.726 1.00 25.40 N ATOM 701 CA GLN A 51 20.733 24.719 -11.826 1.00 31.03 C ATOM 702 C GLN A 51 19.874 25.930 -12.175 1.00 5.33 C ATOM 703 O GLN A 51 19.175 25.937 -13.188 1.00 45.12 O ATOM 704 CB GLN A 51 19.838 23.533 -11.463 1.00 21.43 C ATOM 705 CG GLN A 51 20.589 22.215 -11.355 1.00 53.02 C ATOM 706 CD GLN A 51 20.670 21.480 -12.679 1.00 4.24 C ATOM 707 OE1 GLN A 51 21.742 21.367 -13.274 1.00 43.20 O ATOM 708 NE2 GLN A 51 19.535 20.975 -13.147 1.00 11.32 N ATOM 0 H GLN A 51 21.176 25.303 -9.861 1.00 25.40 H new ATOM 0 HA GLN A 51 21.334 24.459 -12.697 1.00 31.03 H new ATOM 0 HB2 GLN A 51 19.343 23.739 -10.514 1.00 21.43 H new ATOM 0 HB3 GLN A 51 19.055 23.435 -12.215 1.00 21.43 H new ATOM 0 HG2 GLN A 51 21.597 22.405 -10.987 1.00 53.02 H new ATOM 0 HG3 GLN A 51 20.096 21.579 -10.620 1.00 53.02 H new ATOM 0 HE21 GLN A 51 18.669 21.092 -12.621 1.00 11.32 H new ATOM 0 HE22 GLN A 51 19.529 20.470 -14.033 1.00 11.32 H new ATOM 717 N TYR A 52 19.932 26.953 -11.329 1.00 31.01 N ATOM 718 CA TYR A 52 19.157 28.169 -11.546 1.00 44.14 C ATOM 719 C TYR A 52 19.795 29.356 -10.831 1.00 12.22 C ATOM 720 O TYR A 52 19.362 29.771 -9.755 1.00 64.22 O ATOM 721 CB TYR A 52 17.720 27.977 -11.059 1.00 41.44 C ATOM 722 CG TYR A 52 16.853 27.200 -12.024 1.00 14.34 C ATOM 723 CD1 TYR A 52 16.805 27.536 -13.371 1.00 50.11 C ATOM 724 CD2 TYR A 52 16.080 26.131 -11.587 1.00 51.32 C ATOM 725 CE1 TYR A 52 16.013 26.829 -14.256 1.00 3.53 C ATOM 726 CE2 TYR A 52 15.287 25.418 -12.465 1.00 15.21 C ATOM 727 CZ TYR A 52 15.256 25.771 -13.798 1.00 4.20 C ATOM 728 OH TYR A 52 14.466 25.064 -14.675 1.00 43.22 O ATOM 0 H TYR A 52 20.507 26.964 -10.487 1.00 31.01 H new ATOM 0 HA TYR A 52 19.145 28.376 -12.616 1.00 44.14 H new ATOM 0 HB2 TYR A 52 17.736 27.459 -10.100 1.00 41.44 H new ATOM 0 HB3 TYR A 52 17.270 28.955 -10.886 1.00 41.44 H new ATOM 0 HD1 TYR A 52 17.397 28.364 -13.733 1.00 50.11 H new ATOM 0 HD2 TYR A 52 16.100 25.853 -10.544 1.00 51.32 H new ATOM 0 HE1 TYR A 52 15.987 27.103 -15.300 1.00 3.53 H new ATOM 0 HE2 TYR A 52 14.694 24.588 -12.109 1.00 15.21 H new ATOM 0 HH TYR A 52 13.999 24.351 -14.192 1.00 43.22 H new ATOM 738 N PRO A 53 20.848 29.918 -11.442 1.00 25.21 N ATOM 739 CA PRO A 53 21.568 31.066 -10.883 1.00 24.10 C ATOM 740 C PRO A 53 20.739 32.345 -10.923 1.00 4.14 C ATOM 741 O PRO A 53 21.139 33.372 -10.376 1.00 14.32 O ATOM 742 CB PRO A 53 22.793 31.194 -11.793 1.00 32.24 C ATOM 743 CG PRO A 53 22.371 30.582 -13.084 1.00 21.02 C ATOM 744 CD PRO A 53 21.418 29.475 -12.726 1.00 11.51 C ATOM 0 HA PRO A 53 21.815 30.920 -9.831 1.00 24.10 H new ATOM 0 HB2 PRO A 53 23.081 32.237 -11.925 1.00 32.24 H new ATOM 0 HB3 PRO A 53 23.655 30.676 -11.372 1.00 32.24 H new ATOM 0 HG2 PRO A 53 21.889 31.319 -13.726 1.00 21.02 H new ATOM 0 HG3 PRO A 53 23.230 30.195 -13.632 1.00 21.02 H new ATOM 0 HD2 PRO A 53 20.647 29.347 -13.485 1.00 11.51 H new ATOM 0 HD3 PRO A 53 21.931 28.518 -12.629 1.00 11.51 H new ATOM 752 N GLY A 54 19.582 32.275 -11.573 1.00 51.14 N ATOM 753 CA GLY A 54 18.715 33.435 -11.672 1.00 31.33 C ATOM 754 C GLY A 54 17.797 33.576 -10.473 1.00 64.23 C ATOM 755 O GLY A 54 17.536 34.687 -10.011 1.00 71.30 O ATOM 0 H GLY A 54 19.229 31.436 -12.033 1.00 51.14 H new ATOM 0 HA2 GLY A 54 19.325 34.334 -11.767 1.00 31.33 H new ATOM 0 HA3 GLY A 54 18.115 33.360 -12.579 1.00 31.33 H new ATOM 759 N ILE A 55 17.306 32.448 -9.970 1.00 42.33 N ATOM 760 CA ILE A 55 16.412 32.452 -8.819 1.00 61.21 C ATOM 761 C ILE A 55 17.126 32.957 -7.570 1.00 23.20 C ATOM 762 O ILE A 55 18.270 33.406 -7.636 1.00 71.14 O ATOM 763 CB ILE A 55 15.847 31.046 -8.541 1.00 2.31 C ATOM 764 CG1 ILE A 55 16.975 30.087 -8.156 1.00 32.52 C ATOM 765 CG2 ILE A 55 15.095 30.527 -9.757 1.00 50.53 C ATOM 766 CD1 ILE A 55 16.672 29.261 -6.925 1.00 10.32 C ATOM 0 H ILE A 55 17.512 31.521 -10.341 1.00 42.33 H new ATOM 0 HA ILE A 55 15.589 33.125 -9.061 1.00 61.21 H new ATOM 0 HB ILE A 55 15.148 31.110 -7.707 1.00 2.31 H new ATOM 0 HG12 ILE A 55 17.173 29.418 -8.993 1.00 32.52 H new ATOM 0 HG13 ILE A 55 17.886 30.661 -7.984 1.00 32.52 H new ATOM 0 HG21 ILE A 55 14.702 29.533 -9.545 1.00 50.53 H new ATOM 0 HG22 ILE A 55 14.271 31.201 -9.990 1.00 50.53 H new ATOM 0 HG23 ILE A 55 15.773 30.475 -10.609 1.00 50.53 H new ATOM 0 HD11 ILE A 55 17.515 28.604 -6.711 1.00 10.32 H new ATOM 0 HD12 ILE A 55 16.503 29.923 -6.075 1.00 10.32 H new ATOM 0 HD13 ILE A 55 15.780 28.660 -7.100 1.00 10.32 H new ATOM 778 N GLU A 56 16.444 32.878 -6.432 1.00 34.10 N ATOM 779 CA GLU A 56 17.014 33.326 -5.167 1.00 41.52 C ATOM 780 C GLU A 56 16.542 32.445 -4.014 1.00 53.24 C ATOM 781 O GLU A 56 15.384 32.515 -3.600 1.00 5.55 O ATOM 782 CB GLU A 56 16.633 34.784 -4.899 1.00 21.13 C ATOM 783 CG GLU A 56 17.826 35.722 -4.829 1.00 64.01 C ATOM 784 CD GLU A 56 18.757 35.398 -3.676 1.00 53.03 C ATOM 785 OE1 GLU A 56 19.561 34.452 -3.810 1.00 14.04 O ATOM 786 OE2 GLU A 56 18.680 36.092 -2.640 1.00 64.44 O ATOM 0 H GLU A 56 15.496 32.508 -6.360 1.00 34.10 H new ATOM 0 HA GLU A 56 18.099 33.248 -5.239 1.00 41.52 H new ATOM 0 HB2 GLU A 56 15.959 35.125 -5.685 1.00 21.13 H new ATOM 0 HB3 GLU A 56 16.082 34.840 -3.960 1.00 21.13 H new ATOM 0 HG2 GLU A 56 18.381 35.668 -5.765 1.00 64.01 H new ATOM 0 HG3 GLU A 56 17.471 36.748 -4.727 1.00 64.01 H new ATOM 793 N ILE A 57 17.445 31.616 -3.503 1.00 3.34 N ATOM 794 CA ILE A 57 17.122 30.722 -2.398 1.00 73.10 C ATOM 795 C ILE A 57 17.844 31.141 -1.122 1.00 30.30 C ATOM 796 O ILE A 57 18.994 31.577 -1.163 1.00 71.31 O ATOM 797 CB ILE A 57 17.490 29.263 -2.728 1.00 42.41 C ATOM 798 CG1 ILE A 57 17.364 28.388 -1.480 1.00 22.42 C ATOM 799 CG2 ILE A 57 18.900 29.189 -3.294 1.00 64.41 C ATOM 800 CD1 ILE A 57 15.957 28.319 -0.929 1.00 50.51 C ATOM 0 H ILE A 57 18.406 31.545 -3.836 1.00 3.34 H new ATOM 0 HA ILE A 57 16.045 30.790 -2.242 1.00 73.10 H new ATOM 0 HB ILE A 57 16.797 28.889 -3.481 1.00 42.41 H new ATOM 0 HG12 ILE A 57 17.702 27.379 -1.718 1.00 22.42 H new ATOM 0 HG13 ILE A 57 18.029 28.773 -0.707 1.00 22.42 H new ATOM 0 HG21 ILE A 57 19.146 28.152 -3.523 1.00 64.41 H new ATOM 0 HG22 ILE A 57 18.958 29.785 -4.205 1.00 64.41 H new ATOM 0 HG23 ILE A 57 19.607 29.577 -2.561 1.00 64.41 H new ATOM 0 HD11 ILE A 57 15.943 27.681 -0.045 1.00 50.51 H new ATOM 0 HD12 ILE A 57 15.622 29.321 -0.659 1.00 50.51 H new ATOM 0 HD13 ILE A 57 15.290 27.905 -1.685 1.00 50.51 H new ATOM 812 N GLU A 58 17.161 31.003 0.010 1.00 2.24 N ATOM 813 CA GLU A 58 17.739 31.367 1.299 1.00 60.41 C ATOM 814 C GLU A 58 17.199 30.470 2.410 1.00 52.44 C ATOM 815 O GLU A 58 16.175 29.808 2.244 1.00 32.43 O ATOM 816 CB GLU A 58 17.441 32.832 1.621 1.00 2.42 C ATOM 817 CG GLU A 58 17.820 33.790 0.504 1.00 5.44 C ATOM 818 CD GLU A 58 16.766 33.866 -0.582 1.00 51.15 C ATOM 819 OE1 GLU A 58 15.592 33.554 -0.292 1.00 60.40 O ATOM 820 OE2 GLU A 58 17.114 34.237 -1.723 1.00 12.22 O ATOM 0 H GLU A 58 16.208 30.642 0.061 1.00 2.24 H new ATOM 0 HA GLU A 58 18.818 31.229 1.236 1.00 60.41 H new ATOM 0 HB2 GLU A 58 16.378 32.939 1.835 1.00 2.42 H new ATOM 0 HB3 GLU A 58 17.978 33.113 2.527 1.00 2.42 H new ATOM 0 HG2 GLU A 58 17.978 34.784 0.921 1.00 5.44 H new ATOM 0 HG3 GLU A 58 18.766 33.474 0.065 1.00 5.44 H new ATOM 827 N SER A 59 17.896 30.455 3.541 1.00 13.44 N ATOM 828 CA SER A 59 17.489 29.638 4.678 1.00 25.25 C ATOM 829 C SER A 59 16.888 30.503 5.782 1.00 20.52 C ATOM 830 O SER A 59 17.495 31.480 6.220 1.00 21.13 O ATOM 831 CB SER A 59 18.685 28.854 5.223 1.00 2.33 C ATOM 832 OG SER A 59 19.896 29.558 5.010 1.00 3.51 O ATOM 0 H SER A 59 18.745 30.999 3.695 1.00 13.44 H new ATOM 0 HA SER A 59 16.728 28.936 4.336 1.00 25.25 H new ATOM 0 HB2 SER A 59 18.549 28.672 6.289 1.00 2.33 H new ATOM 0 HB3 SER A 59 18.737 27.880 4.737 1.00 2.33 H new ATOM 0 HG SER A 59 20.645 29.037 5.368 1.00 3.51 H new ATOM 838 N ARG A 60 15.691 30.135 6.227 1.00 52.12 N ATOM 839 CA ARG A 60 15.006 30.877 7.278 1.00 35.03 C ATOM 840 C ARG A 60 14.538 29.940 8.388 1.00 10.24 C ATOM 841 O ARG A 60 14.176 28.791 8.134 1.00 21.40 O ATOM 842 CB ARG A 60 13.810 31.636 6.700 1.00 41.40 C ATOM 843 CG ARG A 60 13.042 32.442 7.735 1.00 74.31 C ATOM 844 CD ARG A 60 13.870 33.601 8.266 1.00 1.01 C ATOM 845 NE ARG A 60 14.224 34.549 7.213 1.00 54.01 N ATOM 846 CZ ARG A 60 15.086 35.545 7.380 1.00 43.10 C ATOM 847 NH1 ARG A 60 15.681 35.722 8.552 1.00 52.12 N ATOM 848 NH2 ARG A 60 15.356 36.366 6.373 1.00 3.54 N ATOM 0 H ARG A 60 15.176 29.328 5.876 1.00 52.12 H new ATOM 0 HA ARG A 60 15.711 31.592 7.702 1.00 35.03 H new ATOM 0 HB2 ARG A 60 14.161 32.307 5.916 1.00 41.40 H new ATOM 0 HB3 ARG A 60 13.132 30.924 6.230 1.00 41.40 H new ATOM 0 HG2 ARG A 60 12.123 32.824 7.291 1.00 74.31 H new ATOM 0 HG3 ARG A 60 12.752 31.793 8.561 1.00 74.31 H new ATOM 0 HD2 ARG A 60 13.311 34.118 9.046 1.00 1.01 H new ATOM 0 HD3 ARG A 60 14.779 33.215 8.727 1.00 1.01 H new ATOM 0 HE ARG A 60 13.785 34.440 6.299 1.00 54.01 H new ATOM 0 HH11 ARG A 60 15.477 35.092 9.328 1.00 52.12 H new ATOM 0 HH12 ARG A 60 16.343 36.488 8.677 1.00 52.12 H new ATOM 0 HH21 ARG A 60 14.901 36.232 5.470 1.00 3.54 H new ATOM 0 HH22 ARG A 60 16.018 37.131 6.502 1.00 3.54 H new ATOM 862 N LEU A 61 14.549 30.439 9.620 1.00 74.14 N ATOM 863 CA LEU A 61 14.126 29.647 10.770 1.00 61.15 C ATOM 864 C LEU A 61 12.667 29.222 10.632 1.00 5.41 C ATOM 865 O LEU A 61 11.877 29.889 9.965 1.00 33.55 O ATOM 866 CB LEU A 61 14.318 30.444 12.061 1.00 54.11 C ATOM 867 CG LEU A 61 14.601 29.624 13.320 1.00 13.22 C ATOM 868 CD1 LEU A 61 15.873 28.809 13.152 1.00 44.05 C ATOM 869 CD2 LEU A 61 14.705 30.533 14.536 1.00 15.12 C ATOM 0 H LEU A 61 14.846 31.388 9.848 1.00 74.14 H new ATOM 0 HA LEU A 61 14.744 28.750 10.809 1.00 61.15 H new ATOM 0 HB2 LEU A 61 15.142 31.143 11.914 1.00 54.11 H new ATOM 0 HB3 LEU A 61 13.422 31.040 12.233 1.00 54.11 H new ATOM 0 HG LEU A 61 13.771 28.935 13.476 1.00 13.22 H new ATOM 0 HD11 LEU A 61 16.058 28.232 14.058 1.00 44.05 H new ATOM 0 HD12 LEU A 61 15.761 28.130 12.306 1.00 44.05 H new ATOM 0 HD13 LEU A 61 16.713 29.479 12.971 1.00 44.05 H new ATOM 0 HD21 LEU A 61 14.907 29.932 15.423 1.00 15.12 H new ATOM 0 HD22 LEU A 61 15.516 31.246 14.389 1.00 15.12 H new ATOM 0 HD23 LEU A 61 13.767 31.072 14.668 1.00 15.12 H new ATOM 881 N GLY A 62 12.318 28.109 11.270 1.00 54.42 N ATOM 882 CA GLY A 62 10.954 27.616 11.208 1.00 41.32 C ATOM 883 C GLY A 62 10.336 27.447 12.581 1.00 13.14 C ATOM 884 O GLY A 62 9.138 27.664 12.762 1.00 43.02 O ATOM 0 H GLY A 62 12.955 27.540 11.828 1.00 54.42 H new ATOM 0 HA2 GLY A 62 10.347 28.307 10.622 1.00 41.32 H new ATOM 0 HA3 GLY A 62 10.940 26.659 10.686 1.00 41.32 H new ATOM 888 N GLY A 63 11.155 27.056 13.554 1.00 55.45 N ATOM 889 CA GLY A 63 10.662 26.863 14.905 1.00 64.10 C ATOM 890 C GLY A 63 11.342 25.706 15.609 1.00 24.25 C ATOM 891 O GLY A 63 12.172 25.909 16.497 1.00 41.44 O ATOM 0 H GLY A 63 12.150 26.870 13.430 1.00 55.45 H new ATOM 0 HA2 GLY A 63 10.818 27.776 15.479 1.00 64.10 H new ATOM 0 HA3 GLY A 63 9.587 26.685 14.875 1.00 64.10 H new ATOM 895 N THR A 64 10.990 24.486 15.216 1.00 61.31 N ATOM 896 CA THR A 64 11.570 23.291 15.817 1.00 13.54 C ATOM 897 C THR A 64 11.275 22.054 14.977 1.00 13.23 C ATOM 898 O THR A 64 10.123 21.644 14.842 1.00 52.24 O ATOM 899 CB THR A 64 11.038 23.067 17.246 1.00 51.15 C ATOM 900 OG1 THR A 64 9.766 23.707 17.401 1.00 61.52 O ATOM 901 CG2 THR A 64 12.014 23.611 18.278 1.00 32.41 C ATOM 0 H THR A 64 10.305 24.299 14.483 1.00 61.31 H new ATOM 0 HA THR A 64 12.648 23.449 15.859 1.00 13.54 H new ATOM 0 HB THR A 64 10.926 21.994 17.405 1.00 51.15 H new ATOM 0 HG1 THR A 64 9.434 23.559 18.311 1.00 61.52 H new ATOM 0 HG21 THR A 64 11.617 23.442 19.279 1.00 32.41 H new ATOM 0 HG22 THR A 64 12.972 23.102 18.177 1.00 32.41 H new ATOM 0 HG23 THR A 64 12.153 24.680 18.119 1.00 32.41 H new ATOM 909 N GLY A 65 12.324 21.462 14.415 1.00 42.21 N ATOM 910 CA GLY A 65 12.156 20.277 13.595 1.00 31.51 C ATOM 911 C GLY A 65 11.149 20.480 12.481 1.00 54.21 C ATOM 912 O GLY A 65 10.543 19.523 12.000 1.00 32.01 O ATOM 0 H GLY A 65 13.288 21.782 14.513 1.00 42.21 H new ATOM 0 HA2 GLY A 65 13.118 19.998 13.165 1.00 31.51 H new ATOM 0 HA3 GLY A 65 11.835 19.447 14.224 1.00 31.51 H new ATOM 916 N ALA A 66 10.968 21.731 12.070 1.00 13.23 N ATOM 917 CA ALA A 66 10.027 22.057 11.006 1.00 40.24 C ATOM 918 C ALA A 66 10.711 22.035 9.643 1.00 71.31 C ATOM 919 O ALA A 66 11.930 22.181 9.546 1.00 35.31 O ATOM 920 CB ALA A 66 9.395 23.418 11.259 1.00 74.25 C ATOM 0 H ALA A 66 11.461 22.535 12.458 1.00 13.23 H new ATOM 0 HA ALA A 66 9.243 21.299 11.003 1.00 40.24 H new ATOM 0 HB1 ALA A 66 8.694 23.649 10.456 1.00 74.25 H new ATOM 0 HB2 ALA A 66 8.864 23.401 12.211 1.00 74.25 H new ATOM 0 HB3 ALA A 66 10.173 24.180 11.291 1.00 74.25 H new ATOM 926 N PHE A 67 9.919 21.850 8.592 1.00 41.13 N ATOM 927 CA PHE A 67 10.449 21.807 7.234 1.00 71.32 C ATOM 928 C PHE A 67 9.465 22.426 6.246 1.00 54.11 C ATOM 929 O PHE A 67 9.237 21.890 5.162 1.00 24.41 O ATOM 930 CB PHE A 67 10.755 20.363 6.829 1.00 51.21 C ATOM 931 CG PHE A 67 11.586 20.253 5.583 1.00 42.52 C ATOM 932 CD1 PHE A 67 12.914 20.649 5.583 1.00 1.20 C ATOM 933 CD2 PHE A 67 11.040 19.754 4.411 1.00 1.25 C ATOM 934 CE1 PHE A 67 13.681 20.550 4.438 1.00 51.15 C ATOM 935 CE2 PHE A 67 11.802 19.652 3.263 1.00 42.22 C ATOM 936 CZ PHE A 67 13.125 20.050 3.276 1.00 32.24 C ATOM 0 H PHE A 67 8.908 21.728 8.654 1.00 41.13 H new ATOM 0 HA PHE A 67 11.372 22.387 7.212 1.00 71.32 H new ATOM 0 HB2 PHE A 67 11.276 19.867 7.648 1.00 51.21 H new ATOM 0 HB3 PHE A 67 9.816 19.830 6.678 1.00 51.21 H new ATOM 0 HD1 PHE A 67 13.355 21.040 6.488 1.00 1.20 H new ATOM 0 HD2 PHE A 67 10.006 19.441 4.395 1.00 1.25 H new ATOM 0 HE1 PHE A 67 14.714 20.863 4.451 1.00 51.15 H new ATOM 0 HE2 PHE A 67 11.364 19.262 2.356 1.00 42.22 H new ATOM 0 HZ PHE A 67 13.723 19.971 2.380 1.00 32.24 H new ATOM 946 N GLU A 68 8.884 23.558 6.630 1.00 54.52 N ATOM 947 CA GLU A 68 7.923 24.250 5.779 1.00 53.14 C ATOM 948 C GLU A 68 8.609 24.837 4.548 1.00 21.24 C ATOM 949 O GLU A 68 9.497 25.682 4.664 1.00 12.32 O ATOM 950 CB GLU A 68 7.220 25.361 6.562 1.00 21.43 C ATOM 951 CG GLU A 68 6.270 24.845 7.630 1.00 24.43 C ATOM 952 CD GLU A 68 5.670 25.959 8.465 1.00 55.35 C ATOM 953 OE1 GLU A 68 5.782 27.133 8.054 1.00 4.41 O ATOM 954 OE2 GLU A 68 5.087 25.658 9.527 1.00 20.01 O ATOM 0 H GLU A 68 9.062 24.015 7.524 1.00 54.52 H new ATOM 0 HA GLU A 68 7.181 23.523 5.449 1.00 53.14 H new ATOM 0 HB2 GLU A 68 7.972 25.995 7.032 1.00 21.43 H new ATOM 0 HB3 GLU A 68 6.664 25.989 5.866 1.00 21.43 H new ATOM 0 HG2 GLU A 68 5.468 24.280 7.155 1.00 24.43 H new ATOM 0 HG3 GLU A 68 6.804 24.154 8.283 1.00 24.43 H new ATOM 961 N ILE A 69 8.192 24.381 3.372 1.00 51.41 N ATOM 962 CA ILE A 69 8.766 24.861 2.121 1.00 74.03 C ATOM 963 C ILE A 69 7.995 26.064 1.588 1.00 74.11 C ATOM 964 O ILE A 69 6.765 26.086 1.615 1.00 14.10 O ATOM 965 CB ILE A 69 8.778 23.757 1.047 1.00 32.32 C ATOM 966 CG1 ILE A 69 9.592 22.555 1.530 1.00 31.42 C ATOM 967 CG2 ILE A 69 9.342 24.295 -0.259 1.00 75.45 C ATOM 968 CD1 ILE A 69 9.238 21.263 0.827 1.00 41.24 C ATOM 0 H ILE A 69 7.459 23.680 3.259 1.00 51.41 H new ATOM 0 HA ILE A 69 9.792 25.157 2.338 1.00 74.03 H new ATOM 0 HB ILE A 69 7.753 23.431 0.870 1.00 32.32 H new ATOM 0 HG12 ILE A 69 10.652 22.761 1.382 1.00 31.42 H new ATOM 0 HG13 ILE A 69 9.439 22.430 2.602 1.00 31.42 H new ATOM 0 HG21 ILE A 69 9.344 23.503 -1.008 1.00 75.45 H new ATOM 0 HG22 ILE A 69 8.725 25.123 -0.608 1.00 75.45 H new ATOM 0 HG23 ILE A 69 10.362 24.645 -0.098 1.00 75.45 H new ATOM 0 HD11 ILE A 69 9.854 20.454 1.220 1.00 41.24 H new ATOM 0 HD12 ILE A 69 8.186 21.033 0.996 1.00 41.24 H new ATOM 0 HD13 ILE A 69 9.418 21.370 -0.243 1.00 41.24 H new ATOM 980 N GLU A 70 8.727 27.062 1.102 1.00 31.52 N ATOM 981 CA GLU A 70 8.111 28.268 0.562 1.00 72.42 C ATOM 982 C GLU A 70 8.764 28.668 -0.758 1.00 71.51 C ATOM 983 O GLU A 70 9.763 29.387 -0.775 1.00 40.03 O ATOM 984 CB GLU A 70 8.220 29.417 1.566 1.00 30.22 C ATOM 985 CG GLU A 70 7.603 29.103 2.919 1.00 2.40 C ATOM 986 CD GLU A 70 7.267 30.352 3.710 1.00 13.52 C ATOM 987 OE1 GLU A 70 8.136 31.244 3.809 1.00 61.34 O ATOM 988 OE2 GLU A 70 6.135 30.439 4.231 1.00 60.13 O ATOM 0 H GLU A 70 9.747 27.059 1.071 1.00 31.52 H new ATOM 0 HA GLU A 70 7.058 28.055 0.377 1.00 72.42 H new ATOM 0 HB2 GLU A 70 9.271 29.668 1.705 1.00 30.22 H new ATOM 0 HB3 GLU A 70 7.734 30.299 1.150 1.00 30.22 H new ATOM 0 HG2 GLU A 70 6.697 28.515 2.773 1.00 2.40 H new ATOM 0 HG3 GLU A 70 8.294 28.487 3.495 1.00 2.40 H new ATOM 995 N ILE A 71 8.193 28.195 -1.861 1.00 15.51 N ATOM 996 CA ILE A 71 8.718 28.504 -3.185 1.00 62.20 C ATOM 997 C ILE A 71 8.686 30.005 -3.454 1.00 33.54 C ATOM 998 O ILE A 71 9.492 30.525 -4.224 1.00 34.13 O ATOM 999 CB ILE A 71 7.925 27.779 -4.288 1.00 60.14 C ATOM 1000 CG1 ILE A 71 8.487 28.132 -5.667 1.00 4.11 C ATOM 1001 CG2 ILE A 71 6.449 28.140 -4.204 1.00 65.30 C ATOM 1002 CD1 ILE A 71 9.916 27.679 -5.871 1.00 20.31 C ATOM 0 H ILE A 71 7.367 27.597 -1.864 1.00 15.51 H new ATOM 0 HA ILE A 71 9.751 28.157 -3.203 1.00 62.20 H new ATOM 0 HB ILE A 71 8.025 26.704 -4.140 1.00 60.14 H new ATOM 0 HG12 ILE A 71 7.858 27.679 -6.434 1.00 4.11 H new ATOM 0 HG13 ILE A 71 8.433 29.212 -5.807 1.00 4.11 H new ATOM 0 HG21 ILE A 71 5.902 27.620 -4.990 1.00 65.30 H new ATOM 0 HG22 ILE A 71 6.057 27.843 -3.231 1.00 65.30 H new ATOM 0 HG23 ILE A 71 6.330 29.216 -4.330 1.00 65.30 H new ATOM 0 HD11 ILE A 71 10.249 27.963 -6.870 1.00 20.31 H new ATOM 0 HD12 ILE A 71 10.557 28.152 -5.127 1.00 20.31 H new ATOM 0 HD13 ILE A 71 9.973 26.596 -5.763 1.00 20.31 H new ATOM 1014 N ASN A 72 7.749 30.695 -2.811 1.00 62.02 N ATOM 1015 CA ASN A 72 7.612 32.137 -2.980 1.00 2.14 C ATOM 1016 C ASN A 72 7.368 32.821 -1.638 1.00 33.32 C ATOM 1017 O ASN A 72 6.662 33.825 -1.560 1.00 54.24 O ATOM 1018 CB ASN A 72 6.465 32.453 -3.942 1.00 22.52 C ATOM 1019 CG ASN A 72 6.924 32.521 -5.386 1.00 30.53 C ATOM 1020 OD1 ASN A 72 7.176 33.601 -5.918 1.00 40.53 O ATOM 1021 ND2 ASN A 72 7.034 31.363 -6.026 1.00 61.45 N ATOM 0 H ASN A 72 7.074 30.279 -2.169 1.00 62.02 H new ATOM 0 HA ASN A 72 8.543 32.518 -3.399 1.00 2.14 H new ATOM 0 HB2 ASN A 72 5.692 31.690 -3.845 1.00 22.52 H new ATOM 0 HB3 ASN A 72 6.011 33.404 -3.663 1.00 22.52 H new ATOM 0 HD21 ASN A 72 7.338 31.345 -6.999 1.00 61.45 H new ATOM 0 HD22 ASN A 72 6.814 30.491 -5.544 1.00 61.45 H new ATOM 1028 N GLY A 73 7.958 32.268 -0.582 1.00 12.31 N ATOM 1029 CA GLY A 73 7.793 32.838 0.743 1.00 74.14 C ATOM 1030 C GLY A 73 6.461 32.474 1.368 1.00 14.30 C ATOM 1031 O GLY A 73 6.113 32.976 2.437 1.00 72.43 O ATOM 0 H GLY A 73 8.547 31.436 -0.620 1.00 12.31 H new ATOM 0 HA2 GLY A 73 8.600 32.491 1.388 1.00 74.14 H new ATOM 0 HA3 GLY A 73 7.878 33.923 0.682 1.00 74.14 H new ATOM 1035 N GLN A 74 5.713 31.601 0.700 1.00 44.52 N ATOM 1036 CA GLN A 74 4.411 31.174 1.196 1.00 31.24 C ATOM 1037 C GLN A 74 4.341 29.654 1.301 1.00 34.13 C ATOM 1038 O GLN A 74 4.471 28.945 0.302 1.00 2.33 O ATOM 1039 CB GLN A 74 3.299 31.686 0.279 1.00 33.53 C ATOM 1040 CG GLN A 74 2.827 33.090 0.621 1.00 74.44 C ATOM 1041 CD GLN A 74 2.200 33.799 -0.564 1.00 33.53 C ATOM 1042 OE1 GLN A 74 0.976 33.856 -0.691 1.00 64.44 O ATOM 1043 NE2 GLN A 74 3.037 34.344 -1.438 1.00 52.13 N ATOM 0 H GLN A 74 5.987 31.176 -0.186 1.00 44.52 H new ATOM 0 HA GLN A 74 4.273 31.596 2.192 1.00 31.24 H new ATOM 0 HB2 GLN A 74 3.654 31.672 -0.752 1.00 33.53 H new ATOM 0 HB3 GLN A 74 2.451 31.003 0.334 1.00 33.53 H new ATOM 0 HG2 GLN A 74 2.102 33.038 1.434 1.00 74.44 H new ATOM 0 HG3 GLN A 74 3.672 33.675 0.984 1.00 74.44 H new ATOM 0 HE21 GLN A 74 4.044 34.272 -1.293 1.00 52.13 H new ATOM 0 HE22 GLN A 74 2.673 34.835 -2.255 1.00 52.13 H new ATOM 1052 N LEU A 75 4.134 29.159 2.517 1.00 61.24 N ATOM 1053 CA LEU A 75 4.047 27.722 2.753 1.00 74.24 C ATOM 1054 C LEU A 75 3.043 27.074 1.804 1.00 40.21 C ATOM 1055 O LEU A 75 1.851 27.379 1.842 1.00 51.22 O ATOM 1056 CB LEU A 75 3.645 27.447 4.203 1.00 65.21 C ATOM 1057 CG LEU A 75 3.448 25.978 4.578 1.00 72.44 C ATOM 1058 CD1 LEU A 75 4.724 25.188 4.333 1.00 62.13 C ATOM 1059 CD2 LEU A 75 3.011 25.852 6.030 1.00 71.42 C ATOM 0 H LEU A 75 4.023 29.731 3.354 1.00 61.24 H new ATOM 0 HA LEU A 75 5.029 27.288 2.566 1.00 74.24 H new ATOM 0 HB2 LEU A 75 4.408 27.869 4.857 1.00 65.21 H new ATOM 0 HB3 LEU A 75 2.718 27.981 4.409 1.00 65.21 H new ATOM 0 HG LEU A 75 2.662 25.564 3.946 1.00 72.44 H new ATOM 0 HD11 LEU A 75 4.564 24.145 4.606 1.00 62.13 H new ATOM 0 HD12 LEU A 75 4.994 25.250 3.279 1.00 62.13 H new ATOM 0 HD13 LEU A 75 5.530 25.602 4.939 1.00 62.13 H new ATOM 0 HD21 LEU A 75 2.876 24.800 6.279 1.00 71.42 H new ATOM 0 HD22 LEU A 75 3.774 26.283 6.678 1.00 71.42 H new ATOM 0 HD23 LEU A 75 2.070 26.383 6.174 1.00 71.42 H new ATOM 1071 N VAL A 76 3.533 26.177 0.954 1.00 23.05 N ATOM 1072 CA VAL A 76 2.679 25.483 -0.002 1.00 41.21 C ATOM 1073 C VAL A 76 2.592 23.995 0.317 1.00 25.00 C ATOM 1074 O VAL A 76 1.690 23.300 -0.151 1.00 1.31 O ATOM 1075 CB VAL A 76 3.193 25.659 -1.444 1.00 34.05 C ATOM 1076 CG1 VAL A 76 2.958 27.083 -1.924 1.00 71.13 C ATOM 1077 CG2 VAL A 76 4.667 25.294 -1.532 1.00 33.23 C ATOM 0 H VAL A 76 4.517 25.914 0.908 1.00 23.05 H new ATOM 0 HA VAL A 76 1.687 25.927 0.079 1.00 41.21 H new ATOM 0 HB VAL A 76 2.636 24.985 -2.095 1.00 34.05 H new ATOM 0 HG11 VAL A 76 3.327 27.189 -2.944 1.00 71.13 H new ATOM 0 HG12 VAL A 76 1.891 27.304 -1.900 1.00 71.13 H new ATOM 0 HG13 VAL A 76 3.487 27.779 -1.273 1.00 71.13 H new ATOM 0 HG21 VAL A 76 5.013 25.424 -2.557 1.00 33.23 H new ATOM 0 HG22 VAL A 76 5.242 25.941 -0.870 1.00 33.23 H new ATOM 0 HG23 VAL A 76 4.803 24.255 -1.232 1.00 33.23 H new ATOM 1087 N PHE A 77 3.537 23.511 1.117 1.00 14.12 N ATOM 1088 CA PHE A 77 3.568 22.104 1.499 1.00 12.13 C ATOM 1089 C PHE A 77 4.331 21.912 2.807 1.00 53.32 C ATOM 1090 O PHE A 77 5.545 22.109 2.864 1.00 35.32 O ATOM 1091 CB PHE A 77 4.212 21.267 0.392 1.00 1.22 C ATOM 1092 CG PHE A 77 3.277 20.949 -0.740 1.00 24.14 C ATOM 1093 CD1 PHE A 77 2.100 20.255 -0.509 1.00 45.04 C ATOM 1094 CD2 PHE A 77 3.576 21.343 -2.034 1.00 22.00 C ATOM 1095 CE1 PHE A 77 1.238 19.961 -1.549 1.00 31.34 C ATOM 1096 CE2 PHE A 77 2.717 21.052 -3.077 1.00 24.10 C ATOM 1097 CZ PHE A 77 1.548 20.359 -2.834 1.00 75.13 C ATOM 0 H PHE A 77 4.291 24.072 1.513 1.00 14.12 H new ATOM 0 HA PHE A 77 2.541 21.771 1.646 1.00 12.13 H new ATOM 0 HB2 PHE A 77 5.077 21.802 -0.001 1.00 1.22 H new ATOM 0 HB3 PHE A 77 4.581 20.335 0.820 1.00 1.22 H new ATOM 0 HD1 PHE A 77 1.853 19.940 0.494 1.00 45.04 H new ATOM 0 HD2 PHE A 77 4.490 21.883 -2.230 1.00 22.00 H new ATOM 0 HE1 PHE A 77 0.323 19.421 -1.356 1.00 31.34 H new ATOM 0 HE2 PHE A 77 2.960 21.366 -4.081 1.00 24.10 H new ATOM 0 HZ PHE A 77 0.877 20.129 -3.648 1.00 75.13 H new ATOM 1107 N SER A 78 3.609 21.528 3.855 1.00 64.10 N ATOM 1108 CA SER A 78 4.216 21.314 5.163 1.00 24.44 C ATOM 1109 C SER A 78 4.588 19.847 5.356 1.00 63.40 C ATOM 1110 O SER A 78 3.818 18.948 5.017 1.00 54.43 O ATOM 1111 CB SER A 78 3.260 21.759 6.272 1.00 64.13 C ATOM 1112 OG SER A 78 3.537 23.087 6.681 1.00 42.01 O ATOM 0 H SER A 78 2.604 21.359 3.824 1.00 64.10 H new ATOM 0 HA SER A 78 5.126 21.912 5.216 1.00 24.44 H new ATOM 0 HB2 SER A 78 2.231 21.691 5.919 1.00 64.13 H new ATOM 0 HB3 SER A 78 3.349 21.086 7.125 1.00 64.13 H new ATOM 0 HG SER A 78 3.062 23.278 7.517 1.00 42.01 H new ATOM 1118 N LYS A 79 5.776 19.611 5.903 1.00 31.23 N ATOM 1119 CA LYS A 79 6.252 18.254 6.143 1.00 24.15 C ATOM 1120 C LYS A 79 5.698 17.707 7.455 1.00 71.32 C ATOM 1121 O LYS A 79 5.313 16.540 7.539 1.00 22.50 O ATOM 1122 CB LYS A 79 7.782 18.226 6.173 1.00 3.44 C ATOM 1123 CG LYS A 79 8.362 16.838 6.383 1.00 53.10 C ATOM 1124 CD LYS A 79 8.587 16.545 7.857 1.00 64.23 C ATOM 1125 CE LYS A 79 9.533 15.370 8.053 1.00 64.14 C ATOM 1126 NZ LYS A 79 8.973 14.108 7.495 1.00 21.21 N ATOM 0 H LYS A 79 6.427 20.343 6.189 1.00 31.23 H new ATOM 0 HA LYS A 79 5.899 17.623 5.328 1.00 24.15 H new ATOM 0 HB2 LYS A 79 8.163 18.631 5.236 1.00 3.44 H new ATOM 0 HB3 LYS A 79 8.133 18.882 6.970 1.00 3.44 H new ATOM 0 HG2 LYS A 79 7.687 16.093 5.962 1.00 53.10 H new ATOM 0 HG3 LYS A 79 9.306 16.752 5.846 1.00 53.10 H new ATOM 0 HD2 LYS A 79 8.996 17.429 8.346 1.00 64.23 H new ATOM 0 HD3 LYS A 79 7.632 16.329 8.336 1.00 64.23 H new ATOM 0 HE2 LYS A 79 10.487 15.588 7.573 1.00 64.14 H new ATOM 0 HE3 LYS A 79 9.734 15.239 9.116 1.00 64.14 H new ATOM 0 HZ1 LYS A 79 9.632 13.325 7.679 1.00 21.21 H new ATOM 0 HZ2 LYS A 79 8.059 13.904 7.947 1.00 21.21 H new ATOM 0 HZ3 LYS A 79 8.837 14.212 6.469 1.00 21.21 H new ATOM 1140 N LEU A 80 5.658 18.556 8.475 1.00 1.23 N ATOM 1141 CA LEU A 80 5.149 18.158 9.783 1.00 74.01 C ATOM 1142 C LEU A 80 3.766 17.525 9.659 1.00 4.01 C ATOM 1143 O LEU A 80 3.390 16.672 10.462 1.00 1.13 O ATOM 1144 CB LEU A 80 5.087 19.367 10.718 1.00 54.12 C ATOM 1145 CG LEU A 80 6.139 19.414 11.826 1.00 63.42 C ATOM 1146 CD1 LEU A 80 5.950 18.254 12.791 1.00 61.30 C ATOM 1147 CD2 LEU A 80 7.540 19.392 11.232 1.00 42.43 C ATOM 0 H LEU A 80 5.972 19.525 8.422 1.00 1.23 H new ATOM 0 HA LEU A 80 5.831 17.418 10.201 1.00 74.01 H new ATOM 0 HB2 LEU A 80 5.181 20.271 10.117 1.00 54.12 H new ATOM 0 HB3 LEU A 80 4.100 19.393 11.180 1.00 54.12 H new ATOM 0 HG LEU A 80 6.015 20.345 12.380 1.00 63.42 H new ATOM 0 HD11 LEU A 80 6.708 18.304 13.573 1.00 61.30 H new ATOM 0 HD12 LEU A 80 4.959 18.313 13.242 1.00 61.30 H new ATOM 0 HD13 LEU A 80 6.047 17.312 12.251 1.00 61.30 H new ATOM 0 HD21 LEU A 80 8.276 19.426 12.035 1.00 42.43 H new ATOM 0 HD22 LEU A 80 7.676 18.478 10.654 1.00 42.43 H new ATOM 0 HD23 LEU A 80 7.673 20.256 10.581 1.00 42.43 H new ATOM 1159 N GLU A 81 3.016 17.948 8.646 1.00 21.33 N ATOM 1160 CA GLU A 81 1.676 17.420 8.417 1.00 0.52 C ATOM 1161 C GLU A 81 1.701 16.306 7.375 1.00 34.01 C ATOM 1162 O GLU A 81 1.231 15.197 7.626 1.00 25.21 O ATOM 1163 CB GLU A 81 0.735 18.538 7.963 1.00 40.14 C ATOM 1164 CG GLU A 81 0.899 19.829 8.747 1.00 24.11 C ATOM 1165 CD GLU A 81 0.831 19.613 10.246 1.00 12.15 C ATOM 1166 OE1 GLU A 81 -0.242 19.205 10.738 1.00 74.11 O ATOM 1167 OE2 GLU A 81 1.849 19.853 10.928 1.00 21.52 O ATOM 0 H GLU A 81 3.313 18.654 7.972 1.00 21.33 H new ATOM 0 HA GLU A 81 1.310 17.006 9.357 1.00 0.52 H new ATOM 0 HB2 GLU A 81 0.909 18.740 6.906 1.00 40.14 H new ATOM 0 HB3 GLU A 81 -0.295 18.194 8.057 1.00 40.14 H new ATOM 0 HG2 GLU A 81 1.856 20.285 8.492 1.00 24.11 H new ATOM 0 HG3 GLU A 81 0.121 20.532 8.449 1.00 24.11 H new ATOM 1174 N ASN A 82 2.251 16.611 6.204 1.00 31.33 N ATOM 1175 CA ASN A 82 2.336 15.636 5.123 1.00 61.11 C ATOM 1176 C ASN A 82 2.952 14.330 5.615 1.00 23.12 C ATOM 1177 O ASN A 82 2.395 13.252 5.411 1.00 53.41 O ATOM 1178 CB ASN A 82 3.163 16.198 3.965 1.00 10.51 C ATOM 1179 CG ASN A 82 3.175 15.276 2.761 1.00 20.05 C ATOM 1180 OD1 ASN A 82 2.156 15.095 2.094 1.00 25.32 O ATOM 1181 ND2 ASN A 82 4.331 14.688 2.479 1.00 65.42 N ATOM 0 H ASN A 82 2.644 17.525 5.980 1.00 31.33 H new ATOM 0 HA ASN A 82 1.324 15.431 4.773 1.00 61.11 H new ATOM 0 HB2 ASN A 82 2.761 17.168 3.672 1.00 10.51 H new ATOM 0 HB3 ASN A 82 4.186 16.366 4.301 1.00 10.51 H new ATOM 0 HD21 ASN A 82 4.401 14.056 1.681 1.00 65.42 H new ATOM 0 HD22 ASN A 82 5.150 14.868 3.060 1.00 65.42 H new ATOM 1188 N GLY A 83 4.107 14.435 6.266 1.00 61.21 N ATOM 1189 CA GLY A 83 4.780 13.255 6.778 1.00 40.33 C ATOM 1190 C GLY A 83 5.991 12.873 5.949 1.00 15.03 C ATOM 1191 O GLY A 83 6.364 11.703 5.886 1.00 31.53 O ATOM 0 H GLY A 83 4.588 15.316 6.448 1.00 61.21 H new ATOM 0 HA2 GLY A 83 5.090 13.435 7.807 1.00 40.33 H new ATOM 0 HA3 GLY A 83 4.079 12.420 6.798 1.00 40.33 H new ATOM 1236 N TYR A 87 10.818 15.510 -3.738 1.00 3.40 N ATOM 1237 CA TYR A 87 12.034 15.073 -4.414 1.00 72.30 C ATOM 1238 C TYR A 87 12.827 16.267 -4.935 1.00 64.13 C ATOM 1239 O TYR A 87 12.389 17.411 -4.828 1.00 12.44 O ATOM 1240 CB TYR A 87 11.689 14.132 -5.570 1.00 21.44 C ATOM 1241 CG TYR A 87 10.910 12.908 -5.142 1.00 41.23 C ATOM 1242 CD1 TYR A 87 11.521 11.886 -4.427 1.00 21.12 C ATOM 1243 CD2 TYR A 87 9.562 12.775 -5.453 1.00 44.15 C ATOM 1244 CE1 TYR A 87 10.813 10.766 -4.035 1.00 43.12 C ATOM 1245 CE2 TYR A 87 8.846 11.659 -5.065 1.00 3.43 C ATOM 1246 CZ TYR A 87 9.476 10.658 -4.356 1.00 63.43 C ATOM 1247 OH TYR A 87 8.767 9.544 -3.967 1.00 4.32 O ATOM 0 HA TYR A 87 12.650 14.539 -3.690 1.00 72.30 H new ATOM 0 HB2 TYR A 87 11.109 14.680 -6.313 1.00 21.44 H new ATOM 0 HB3 TYR A 87 12.611 13.814 -6.056 1.00 21.44 H new ATOM 0 HD1 TYR A 87 12.567 11.968 -4.173 1.00 21.12 H new ATOM 0 HD2 TYR A 87 9.066 13.558 -6.008 1.00 44.15 H new ATOM 0 HE1 TYR A 87 11.304 9.980 -3.480 1.00 43.12 H new ATOM 0 HE2 TYR A 87 7.799 11.571 -5.315 1.00 3.43 H new ATOM 0 HH TYR A 87 7.839 9.624 -4.271 1.00 4.32 H new ATOM 1257 N GLU A 88 13.998 15.990 -5.501 1.00 70.32 N ATOM 1258 CA GLU A 88 14.853 17.041 -6.039 1.00 64.24 C ATOM 1259 C GLU A 88 14.255 17.630 -7.314 1.00 23.13 C ATOM 1260 O GLU A 88 14.351 18.832 -7.560 1.00 41.33 O ATOM 1261 CB GLU A 88 16.253 16.493 -6.326 1.00 2.12 C ATOM 1262 CG GLU A 88 17.148 17.470 -7.070 1.00 24.24 C ATOM 1263 CD GLU A 88 17.441 18.722 -6.266 1.00 31.34 C ATOM 1264 OE1 GLU A 88 17.360 18.661 -5.021 1.00 75.21 O ATOM 1265 OE2 GLU A 88 17.752 19.763 -6.882 1.00 35.32 O ATOM 0 H GLU A 88 14.375 15.047 -5.599 1.00 70.32 H new ATOM 0 HA GLU A 88 14.926 17.832 -5.293 1.00 64.24 H new ATOM 0 HB2 GLU A 88 16.729 16.223 -5.383 1.00 2.12 H new ATOM 0 HB3 GLU A 88 16.163 15.578 -6.911 1.00 2.12 H new ATOM 0 HG2 GLU A 88 18.087 16.977 -7.322 1.00 24.24 H new ATOM 0 HG3 GLU A 88 16.672 17.749 -8.010 1.00 24.24 H new ATOM 1272 N LYS A 89 13.638 16.774 -8.121 1.00 61.11 N ATOM 1273 CA LYS A 89 13.023 17.207 -9.370 1.00 40.01 C ATOM 1274 C LYS A 89 11.694 17.909 -9.108 1.00 24.14 C ATOM 1275 O LYS A 89 11.240 18.720 -9.915 1.00 32.32 O ATOM 1276 CB LYS A 89 12.805 16.009 -10.297 1.00 52.23 C ATOM 1277 CG LYS A 89 11.728 15.054 -9.813 1.00 72.33 C ATOM 1278 CD LYS A 89 11.728 13.762 -10.613 1.00 63.31 C ATOM 1279 CE LYS A 89 12.898 12.869 -10.229 1.00 31.44 C ATOM 1280 NZ LYS A 89 12.916 11.607 -11.019 1.00 74.21 N ATOM 0 H LYS A 89 13.550 15.775 -7.932 1.00 61.11 H new ATOM 0 HA LYS A 89 13.698 17.914 -9.852 1.00 40.01 H new ATOM 0 HB2 LYS A 89 12.538 16.372 -11.289 1.00 52.23 H new ATOM 0 HB3 LYS A 89 13.743 15.464 -10.399 1.00 52.23 H new ATOM 0 HG2 LYS A 89 11.886 14.830 -8.758 1.00 72.33 H new ATOM 0 HG3 LYS A 89 10.752 15.533 -9.894 1.00 72.33 H new ATOM 0 HD2 LYS A 89 10.792 13.229 -10.446 1.00 63.31 H new ATOM 0 HD3 LYS A 89 11.778 13.992 -11.677 1.00 63.31 H new ATOM 0 HE2 LYS A 89 13.832 13.408 -10.385 1.00 31.44 H new ATOM 0 HE3 LYS A 89 12.840 12.632 -9.167 1.00 31.44 H new ATOM 0 HZ1 LYS A 89 13.728 11.026 -10.727 1.00 74.21 H new ATOM 0 HZ2 LYS A 89 12.035 11.080 -10.851 1.00 74.21 H new ATOM 0 HZ3 LYS A 89 12.997 11.832 -12.031 1.00 74.21 H new ATOM 1294 N ASP A 90 11.078 17.593 -7.974 1.00 54.03 N ATOM 1295 CA ASP A 90 9.802 18.196 -7.604 1.00 61.53 C ATOM 1296 C ASP A 90 10.013 19.565 -6.967 1.00 12.25 C ATOM 1297 O ASP A 90 9.119 20.413 -6.981 1.00 21.31 O ATOM 1298 CB ASP A 90 9.043 17.282 -6.641 1.00 54.01 C ATOM 1299 CG ASP A 90 7.785 17.932 -6.097 1.00 63.42 C ATOM 1300 OD1 ASP A 90 7.905 18.812 -5.220 1.00 32.44 O ATOM 1301 OD2 ASP A 90 6.682 17.559 -6.549 1.00 12.24 O ATOM 0 H ASP A 90 11.441 16.923 -7.295 1.00 54.03 H new ATOM 0 HA ASP A 90 9.212 18.325 -8.511 1.00 61.53 H new ATOM 0 HB2 ASP A 90 8.778 16.358 -7.154 1.00 54.01 H new ATOM 0 HB3 ASP A 90 9.696 17.010 -5.812 1.00 54.01 H new ATOM 1306 N LEU A 91 11.199 19.775 -6.407 1.00 0.14 N ATOM 1307 CA LEU A 91 11.527 21.042 -5.762 1.00 64.10 C ATOM 1308 C LEU A 91 12.062 22.047 -6.777 1.00 52.03 C ATOM 1309 O LEU A 91 11.826 23.250 -6.658 1.00 23.34 O ATOM 1310 CB LEU A 91 12.559 20.821 -4.655 1.00 22.24 C ATOM 1311 CG LEU A 91 12.035 20.187 -3.366 1.00 11.04 C ATOM 1312 CD1 LEU A 91 13.148 19.440 -2.647 1.00 12.21 C ATOM 1313 CD2 LEU A 91 11.429 21.248 -2.458 1.00 22.42 C ATOM 0 H LEU A 91 11.950 19.085 -6.386 1.00 0.14 H new ATOM 0 HA LEU A 91 10.614 21.446 -5.324 1.00 64.10 H new ATOM 0 HB2 LEU A 91 13.355 20.190 -5.049 1.00 22.24 H new ATOM 0 HB3 LEU A 91 13.008 21.783 -4.407 1.00 22.24 H new ATOM 0 HG LEU A 91 11.255 19.472 -3.627 1.00 11.04 H new ATOM 0 HD11 LEU A 91 12.756 18.996 -1.732 1.00 12.21 H new ATOM 0 HD12 LEU A 91 13.536 18.654 -3.295 1.00 12.21 H new ATOM 0 HD13 LEU A 91 13.951 20.134 -2.398 1.00 12.21 H new ATOM 0 HD21 LEU A 91 11.061 20.779 -1.545 1.00 22.42 H new ATOM 0 HD22 LEU A 91 12.189 21.988 -2.205 1.00 22.42 H new ATOM 0 HD23 LEU A 91 10.603 21.738 -2.972 1.00 22.42 H new ATOM 1325 N ILE A 92 12.780 21.546 -7.777 1.00 31.24 N ATOM 1326 CA ILE A 92 13.344 22.400 -8.814 1.00 63.34 C ATOM 1327 C ILE A 92 12.285 22.795 -9.838 1.00 20.42 C ATOM 1328 O ILE A 92 12.385 23.842 -10.476 1.00 64.32 O ATOM 1329 CB ILE A 92 14.511 21.706 -9.542 1.00 21.44 C ATOM 1330 CG1 ILE A 92 15.281 22.715 -10.395 1.00 43.13 C ATOM 1331 CG2 ILE A 92 13.994 20.562 -10.401 1.00 50.04 C ATOM 1332 CD1 ILE A 92 16.753 22.392 -10.533 1.00 13.02 C ATOM 0 H ILE A 92 12.985 20.553 -7.890 1.00 31.24 H new ATOM 0 HA ILE A 92 13.717 23.295 -8.316 1.00 63.34 H new ATOM 0 HB ILE A 92 15.192 21.295 -8.797 1.00 21.44 H new ATOM 0 HG12 ILE A 92 14.832 22.757 -11.387 1.00 43.13 H new ATOM 0 HG13 ILE A 92 15.175 23.707 -9.955 1.00 43.13 H new ATOM 0 HG21 ILE A 92 14.830 20.082 -10.909 1.00 50.04 H new ATOM 0 HG22 ILE A 92 13.486 19.833 -9.769 1.00 50.04 H new ATOM 0 HG23 ILE A 92 13.295 20.950 -11.141 1.00 50.04 H new ATOM 0 HD11 ILE A 92 17.235 23.150 -11.151 1.00 13.02 H new ATOM 0 HD12 ILE A 92 17.217 22.379 -9.547 1.00 13.02 H new ATOM 0 HD13 ILE A 92 16.869 21.415 -11.001 1.00 13.02 H new ATOM 1344 N GLU A 93 11.270 21.950 -9.987 1.00 34.44 N ATOM 1345 CA GLU A 93 10.191 22.212 -10.932 1.00 71.31 C ATOM 1346 C GLU A 93 9.219 23.248 -10.375 1.00 33.52 C ATOM 1347 O GLU A 93 8.283 23.665 -11.056 1.00 12.32 O ATOM 1348 CB GLU A 93 9.443 20.917 -11.258 1.00 13.31 C ATOM 1349 CG GLU A 93 8.600 20.395 -10.106 1.00 62.14 C ATOM 1350 CD GLU A 93 7.841 19.132 -10.465 1.00 25.22 C ATOM 1351 OE1 GLU A 93 8.481 18.169 -10.937 1.00 32.21 O ATOM 1352 OE2 GLU A 93 6.608 19.107 -10.272 1.00 73.14 O ATOM 0 H GLU A 93 11.172 21.079 -9.466 1.00 34.44 H new ATOM 0 HA GLU A 93 10.632 22.608 -11.847 1.00 71.31 H new ATOM 0 HB2 GLU A 93 8.799 21.087 -12.121 1.00 13.31 H new ATOM 0 HB3 GLU A 93 10.165 20.152 -11.545 1.00 13.31 H new ATOM 0 HG2 GLU A 93 9.245 20.196 -9.250 1.00 62.14 H new ATOM 0 HG3 GLU A 93 7.892 21.165 -9.800 1.00 62.14 H new ATOM 1359 N ALA A 94 9.448 23.657 -9.131 1.00 70.33 N ATOM 1360 CA ALA A 94 8.594 24.644 -8.482 1.00 43.14 C ATOM 1361 C ALA A 94 8.751 26.016 -9.130 1.00 73.44 C ATOM 1362 O ALA A 94 7.765 26.652 -9.504 1.00 32.04 O ATOM 1363 CB ALA A 94 8.912 24.721 -6.996 1.00 52.04 C ATOM 0 H ALA A 94 10.218 23.320 -8.553 1.00 70.33 H new ATOM 0 HA ALA A 94 7.558 24.329 -8.605 1.00 43.14 H new ATOM 0 HB1 ALA A 94 8.267 25.462 -6.524 1.00 52.04 H new ATOM 0 HB2 ALA A 94 8.743 23.747 -6.537 1.00 52.04 H new ATOM 0 HB3 ALA A 94 9.955 25.009 -6.861 1.00 52.04 H new ATOM 1369 N ILE A 95 9.994 26.465 -9.260 1.00 43.04 N ATOM 1370 CA ILE A 95 10.278 27.761 -9.864 1.00 5.13 C ATOM 1371 C ILE A 95 9.710 27.846 -11.276 1.00 40.42 C ATOM 1372 O ILE A 95 9.304 28.917 -11.729 1.00 62.22 O ATOM 1373 CB ILE A 95 11.792 28.039 -9.914 1.00 65.22 C ATOM 1374 CG1 ILE A 95 12.493 27.008 -10.802 1.00 52.44 C ATOM 1375 CG2 ILE A 95 12.381 28.024 -8.511 1.00 73.22 C ATOM 1376 CD1 ILE A 95 12.623 27.443 -12.245 1.00 54.24 C ATOM 0 H ILE A 95 10.821 25.951 -8.955 1.00 43.04 H new ATOM 0 HA ILE A 95 9.799 28.513 -9.237 1.00 5.13 H new ATOM 0 HB ILE A 95 11.950 29.029 -10.343 1.00 65.22 H new ATOM 0 HG12 ILE A 95 13.486 26.809 -10.400 1.00 52.44 H new ATOM 0 HG13 ILE A 95 11.940 26.070 -10.762 1.00 52.44 H new ATOM 0 HG21 ILE A 95 13.452 28.222 -8.564 1.00 73.22 H new ATOM 0 HG22 ILE A 95 11.899 28.792 -7.906 1.00 73.22 H new ATOM 0 HG23 ILE A 95 12.215 27.047 -8.057 1.00 73.22 H new ATOM 0 HD11 ILE A 95 13.129 26.664 -12.816 1.00 54.24 H new ATOM 0 HD12 ILE A 95 11.631 27.614 -12.664 1.00 54.24 H new ATOM 0 HD13 ILE A 95 13.202 28.365 -12.296 1.00 54.24 H new ATOM 1388 N ARG A 96 9.682 26.711 -11.967 1.00 4.24 N ATOM 1389 CA ARG A 96 9.163 26.657 -13.328 1.00 12.23 C ATOM 1390 C ARG A 96 7.659 26.915 -13.346 1.00 40.52 C ATOM 1391 O ARG A 96 7.141 27.562 -14.257 1.00 44.01 O ATOM 1392 CB ARG A 96 9.465 25.297 -13.958 1.00 62.42 C ATOM 1393 CG ARG A 96 9.368 25.293 -15.475 1.00 42.20 C ATOM 1394 CD ARG A 96 10.635 25.840 -16.115 1.00 75.14 C ATOM 1395 NE ARG A 96 10.575 25.792 -17.574 1.00 11.12 N ATOM 1396 CZ ARG A 96 10.691 24.672 -18.278 1.00 33.53 C ATOM 1397 NH1 ARG A 96 10.871 23.512 -17.660 1.00 11.30 N ATOM 1398 NH2 ARG A 96 10.626 24.709 -19.603 1.00 11.15 N ATOM 0 H ARG A 96 10.013 25.816 -11.606 1.00 4.24 H new ATOM 0 HA ARG A 96 9.656 27.436 -13.909 1.00 12.23 H new ATOM 0 HB2 ARG A 96 10.468 24.985 -13.666 1.00 62.42 H new ATOM 0 HB3 ARG A 96 8.772 24.558 -13.556 1.00 62.42 H new ATOM 0 HG2 ARG A 96 9.191 24.277 -15.827 1.00 42.20 H new ATOM 0 HG3 ARG A 96 8.513 25.892 -15.788 1.00 42.20 H new ATOM 0 HD2 ARG A 96 10.789 26.870 -15.792 1.00 75.14 H new ATOM 0 HD3 ARG A 96 11.494 25.265 -15.768 1.00 75.14 H new ATOM 0 HE ARG A 96 10.436 26.667 -18.080 1.00 11.12 H new ATOM 0 HH11 ARG A 96 10.921 23.479 -16.642 1.00 11.30 H new ATOM 0 HH12 ARG A 96 10.960 22.653 -18.203 1.00 11.30 H new ATOM 0 HH21 ARG A 96 10.487 25.599 -20.082 1.00 11.15 H new ATOM 0 HH22 ARG A 96 10.715 23.848 -20.142 1.00 11.15 H new ATOM 1412 N ARG A 97 6.964 26.405 -12.335 1.00 13.41 N ATOM 1413 CA ARG A 97 5.520 26.579 -12.236 1.00 54.31 C ATOM 1414 C ARG A 97 5.177 27.888 -11.531 1.00 54.42 C ATOM 1415 O ARG A 97 4.054 28.382 -11.629 1.00 74.12 O ATOM 1416 CB ARG A 97 4.893 25.403 -11.484 1.00 43.51 C ATOM 1417 CG ARG A 97 4.491 24.248 -12.386 1.00 43.23 C ATOM 1418 CD ARG A 97 3.938 23.081 -11.584 1.00 0.12 C ATOM 1419 NE ARG A 97 2.533 23.274 -11.235 1.00 21.12 N ATOM 1420 CZ ARG A 97 1.765 22.319 -10.722 1.00 63.35 C ATOM 1421 NH1 ARG A 97 2.264 21.110 -10.500 1.00 41.53 N ATOM 1422 NH2 ARG A 97 0.496 22.571 -10.431 1.00 13.32 N ATOM 0 H ARG A 97 7.377 25.868 -11.573 1.00 13.41 H new ATOM 0 HA ARG A 97 5.114 26.613 -13.247 1.00 54.31 H new ATOM 0 HB2 ARG A 97 5.601 25.041 -10.738 1.00 43.51 H new ATOM 0 HB3 ARG A 97 4.014 25.755 -10.945 1.00 43.51 H new ATOM 0 HG2 ARG A 97 3.741 24.587 -13.101 1.00 43.23 H new ATOM 0 HG3 ARG A 97 5.355 23.918 -12.963 1.00 43.23 H new ATOM 0 HD2 ARG A 97 4.046 22.162 -12.160 1.00 0.12 H new ATOM 0 HD3 ARG A 97 4.524 22.957 -10.673 1.00 0.12 H new ATOM 0 HE ARG A 97 2.119 24.192 -11.394 1.00 21.12 H new ATOM 0 HH11 ARG A 97 3.239 20.912 -10.723 1.00 41.53 H new ATOM 0 HH12 ARG A 97 1.672 20.379 -10.106 1.00 41.53 H new ATOM 0 HH21 ARG A 97 0.108 23.499 -10.601 1.00 13.32 H new ATOM 0 HH22 ARG A 97 -0.092 21.837 -10.037 1.00 13.32 H new ATOM 1436 N ALA A 98 6.152 28.445 -10.820 1.00 40.05 N ATOM 1437 CA ALA A 98 5.954 29.697 -10.101 1.00 20.14 C ATOM 1438 C ALA A 98 6.236 30.897 -10.998 1.00 71.14 C ATOM 1439 O ALA A 98 5.473 31.863 -11.017 1.00 5.11 O ATOM 1440 CB ALA A 98 6.840 29.741 -8.864 1.00 72.43 C ATOM 0 H ALA A 98 7.087 28.049 -10.727 1.00 40.05 H new ATOM 0 HA ALA A 98 4.911 29.747 -9.790 1.00 20.14 H new ATOM 0 HB1 ALA A 98 6.682 30.682 -8.336 1.00 72.43 H new ATOM 0 HB2 ALA A 98 6.588 28.909 -8.206 1.00 72.43 H new ATOM 0 HB3 ALA A 98 7.886 29.664 -9.162 1.00 72.43 H new ATOM 1446 N SER A 99 7.336 30.829 -11.741 1.00 62.11 N ATOM 1447 CA SER A 99 7.721 31.912 -12.638 1.00 41.31 C ATOM 1448 C SER A 99 6.805 31.959 -13.858 1.00 5.24 C ATOM 1449 O SER A 99 6.798 32.937 -14.604 1.00 35.00 O ATOM 1450 CB SER A 99 9.175 31.742 -13.084 1.00 34.32 C ATOM 1451 OG SER A 99 9.746 32.986 -13.449 1.00 15.32 O ATOM 0 H SER A 99 7.976 30.035 -11.739 1.00 62.11 H new ATOM 0 HA SER A 99 7.623 32.852 -12.095 1.00 41.31 H new ATOM 0 HB2 SER A 99 9.756 31.295 -12.278 1.00 34.32 H new ATOM 0 HB3 SER A 99 9.221 31.055 -13.929 1.00 34.32 H new ATOM 0 HG SER A 99 10.722 32.905 -13.467 1.00 15.32 H new ATOM 1457 N ASN A 100 6.035 30.894 -14.052 1.00 71.14 N ATOM 1458 CA ASN A 100 5.115 30.812 -15.181 1.00 63.03 C ATOM 1459 C ASN A 100 4.006 31.852 -15.056 1.00 45.43 C ATOM 1460 O ASN A 100 3.426 32.279 -16.054 1.00 2.45 O ATOM 1461 CB ASN A 100 4.507 29.411 -15.270 1.00 65.31 C ATOM 1462 CG ASN A 100 4.047 29.068 -16.674 1.00 13.22 C ATOM 1463 OD1 ASN A 100 3.298 29.823 -17.295 1.00 3.12 O ATOM 1464 ND2 ASN A 100 4.493 27.925 -17.180 1.00 72.43 N ATOM 0 H ASN A 100 6.029 30.076 -13.443 1.00 71.14 H new ATOM 0 HA ASN A 100 5.679 31.015 -16.092 1.00 63.03 H new ATOM 0 HB2 ASN A 100 5.243 28.677 -14.942 1.00 65.31 H new ATOM 0 HB3 ASN A 100 3.661 29.341 -14.586 1.00 65.31 H new ATOM 0 HD21 ASN A 100 4.217 27.641 -18.120 1.00 72.43 H new ATOM 0 HD22 ASN A 100 5.112 27.331 -16.629 1.00 72.43 H new